Gaussian 16 GINC-GALAPAGAR APULGAR Optimization Allethrin_RR CONF2 water EM64L-G16RevC.01 27-Jan-2025 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 82 82 640 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C19H26O3)] C1[X(C19H26O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 276.20149999999984 0 1 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2245,-.5366,.1374;.8991,.0793,-1.703;-4.5046,-2.3134,.3405;2.6821,1.4661,.5122;3.3863,.2853,-.0836;1.9705,.1238,.4358;3.0452,1.9383,1.8988;2.273,2.5965,-.4006;4.4775,-.4313,.6051;.8624,-.1012,-.5068;5.6001,-.9006,.05;-1.421,-.8119,-.5974;6.6091,-1.6409,.8762;5.9672,-.7641,-1.3964;-2.1354,-2.017,-.0145;-2.4034,.3222,-.4651;-3.6297,-.1127,-.0972;-3.5709,-1.5717,.11;-1.9778,1.7052,-.7835;-4.8198,.7129,.0375;-6.0144,.3374,.5061;-7.1811,1.2567,.6092;3.4557,.318,-1.1654;1.8607,-.3814,1.3889;2.2302,2.5266,2.3241;3.2528,1.1211,2.5879;3.9293,2.5778,1.8624;2.1274,2.2884,-1.4335;1.3497,3.065,-.0529;3.0492,3.3639,-.3986;4.3334,-.6059,1.6675;-1.1813,-.968,-1.6518;6.7841,-2.642,.4733;7.5765,-1.1322,.8645;6.2958,-1.7462,1.9147;5.2773,-.1502,-1.972;6.963,-.325,-1.4966;6.0168,-1.7469,-1.873;-1.7584,-2.2538,.9838;-2.0471,-2.9165,-.6229;-1.5798,1.7548,-1.7992;-1.1744,2.028,-.1165;-2.7848,2.4284,-.6976;-4.7096,1.7459,-.2786;-6.1804,-.6782,.8415;-7.5299,1.3284,1.642;-6.9463,2.2613,.2579;-8.0261,.8801,.028; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6710908/Gau-2521419.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6710908/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization Allethrin_RR CONF2 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 3 4 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 19 19 19 20 20 21 21 22 22 22 10 12 10 18 5 6 7 8 6 9 23 10 24 25 26 27 28 29 30 11 31 13 14 15 16 32 33 34 35 36 37 38 18 39 40 17 19 18 20 41 42 43 21 44 22 45 46 47 48 1.3364 1.4309 1.2102 1.2145 1.4984 1.5212 1.5091 1.5095 1.5167 1.476 1.0845 1.472 1.0844 1.0914 1.0889 1.0917 1.0877 1.0921 1.0915 1.3374 1.0862 1.4996 1.4985 1.5174 1.5062 1.0925 1.0932 1.0931 1.0898 1.0882 1.0929 1.0935 1.5081 1.0931 1.0895 1.3522 1.4817 1.4748 1.4547 1.092 1.0929 1.087 1.337 1.0859 1.4889 1.0824 1.0925 1.0898 1.0924 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 10 5 5 6 6 7 4 4 6 6 9 4 4 5 5 10 4 4 4 25 25 26 4 4 4 28 28 29 5 5 11 1 1 2 9 9 13 1 1 1 15 15 16 11 11 11 33 33 34 11 11 11 36 36 37 12 12 12 18 18 39 12 12 17 16 16 18 3 3 15 16 16 16 41 41 42 17 17 21 20 20 22 21 21 21 46 46 47 1 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 12 7 8 7 8 8 9 23 9 23 23 10 24 10 24 24 25 26 27 26 27 27 28 29 30 29 30 30 11 31 31 2 6 6 13 14 14 15 16 32 16 32 32 33 34 35 34 35 35 36 37 38 37 38 38 18 39 40 39 40 40 17 19 19 18 20 20 15 17 17 41 42 43 42 43 43 21 44 44 22 45 45 46 47 48 47 48 48 119.6803 119.9251 118.4893 115.7774 120.2383 112.7405 122.9874 113.7664 118.5961 113.862 115.644 121.2794 114.4776 119.9767 116.4333 114.5449 110.3008 113.1075 110.3329 107.4754 107.5786 107.8408 113.4854 110.9661 109.431 108.1 107.2229 107.3932 126.6748 115.8735 117.4404 123.3483 110.6889 125.9622 120.6211 125.0499 114.3269 110.4375 110.8213 109.8557 104.8999 111.1348 109.6029 110.9012 111.0873 112.293 106.2922 107.9842 108.0317 113.9964 110.386 110.4861 107.6062 107.7711 106.2508 104.2031 111.1316 113.7633 108.4738 111.5356 107.6483 111.9181 119.7728 128.2582 108.6754 125.7773 125.5282 124.5524 126.8752 108.5723 110.3006 110.8363 113.001 106.64 108.2882 107.5204 127.1617 115.4618 117.3763 123.4386 120.6039 115.957 110.8642 112.21 110.8848 108.2321 106.1806 108.2322 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 12 12 10 10 10 7 7 8 8 7 7 8 8 5 5 5 6 6 6 8 8 8 5 5 5 6 6 6 7 7 7 9 9 23 23 4 4 6 6 23 23 4 4 5 5 24 24 5 5 31 31 9 9 9 14 14 14 9 9 9 13 13 13 1 1 1 16 16 16 32 32 32 1 1 15 15 32 32 12 12 39 39 40 40 12 12 19 19 12 12 12 17 17 17 16 16 20 20 16 16 18 18 17 17 44 44 20 20 20 45 45 45 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 20 20 20 20 21 21 21 21 21 21 10 10 12 12 12 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 17 17 17 17 19 19 19 19 19 19 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 2 6 15 16 32 9 23 9 23 10 24 10 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 10 24 10 24 11 31 11 31 11 31 1 2 1 2 1 2 13 14 13 14 33 34 35 33 34 35 36 37 38 36 37 38 18 39 40 18 39 40 18 39 40 17 19 17 19 17 19 3 17 3 17 3 17 18 20 18 20 41 42 43 41 42 43 3 15 3 15 21 44 21 44 22 45 22 45 46 47 48 46 47 48 -0.0111 179.7193 143.4463 -100.7501 20.5123 -2.3719 -150.5396 142.6995 -5.4682 140.2285 -3.929 -0.8847 -145.0422 -158.7484 -38.3534 82.5337 -89.6592 30.7358 151.6229 54.3198 174.7148 -64.398 25.4257 147.3806 -94.2842 -44.9291 77.0258 -164.639 172.875 -65.1702 53.165 -135.442 9.8731 5.8287 151.1438 -139.4125 41.85 148.817 -29.9205 8.2132 -170.5243 -125.15 54.5717 164.9163 -15.3619 18.9853 -161.293 -178.5451 0.8897 0.1749 179.6097 122.084 -119.9394 1.1688 -57.4082 60.5684 -178.3235 5.7577 126.9987 -115.7731 -174.776 -53.5351 63.6931 132.2714 15.64 -106.0493 12.8201 -103.8112 134.4995 -105.5434 137.8252 16.136 -129.181 53.205 -9.987 172.399 109.4077 -68.2062 167.8994 -11.9543 -73.6344 106.5119 44.7558 -135.0978 2.4781 -176.0008 179.8404 1.3614 55.8109 -62.0598 177.1771 -121.3698 120.7595 -0.0036 -173.6369 6.2124 4.8468 -175.3039 -173.8634 5.9476 7.9073 -172.2817 179.9447 0.2035 0.1368 -179.6044 -121.0217 0.128 121.2925 58.7305 179.8803 -58.9552 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 662 A 640 A 1000 662 1757.9266784324 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 640 RedAO= T EigKep= 1.70D-06 NBF= 640 NBsUse= 638 1.00D-06 EigRej= 5.84D-07 NBFU= 638 Berny optimization. local minimum Step number 19 out of a maximum of 259 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00090 0.00146 0.00169 0.00428 0.00683 0.00768 0.00879 0.00914 0.00992 0.01140 0.01183 0.01284 0.01330 0.01387 0.01749 0.01800 0.01831 0.02041 0.02126 0.02163 0.02418 0.02508 0.02859 0.02919 0.02926 0.02963 0.04320 0.04575 0.04654 0.04791 0.05335 0.05567 0.05596 0.05726 0.05889 0.05923 0.06363 0.06895 0.07061 0.07096 0.07154 0.07349 0.07426 0.07432 0.07448 0.07609 0.08402 0.09802 0.09950 0.10780 0.12123 0.14851 0.14984 0.15974 0.15990 0.15995 0.15997 0.15998 0.16000 0.16000 0.16000 0.16000 0.16001 0.16002 0.16002 0.16003 0.16006 0.16013 0.16020 0.16035 0.16076 0.16127 0.16199 0.16895 0.18234 0.18838 0.21861 0.21962 0.22163 0.22537 0.23245 0.24315 0.24598 0.24785 0.25019 0.25073 0.25153 0.26001 0.26638 0.27641 0.29317 0.29836 0.30818 0.31074 0.31498 0.31560 0.32630 0.32896 0.32983 0.33707 0.34366 0.34415 0.34445 0.34458 0.34466 0.34476 0.34484 0.34531 0.34539 0.34562 0.34570 0.34622 0.34631 0.34671 0.34755 0.34834 0.34852 0.34908 0.34956 0.35063 0.35123 0.35172 0.35232 0.35273 0.35334 0.35473 0.35502 0.35845 0.35902 0.38564 0.38730 0.41773 0.54073 0.56501 0.58330 0.60810 0.94727 0.99931 -1.57875478e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 2.56448 2.75146 2.30398 2.31830 2.85343 2.90708 2.86642 2.86515 2.89422 2.79701 2.04780 2.78136 2.04618 2.06795 2.06115 2.06912 2.05951 2.06907 2.06848 2.53768 2.05400 2.84935 2.84675 2.87645 2.85764 2.06156 2.07239 2.07224 2.06434 2.05989 2.07179 2.07189 2.86330 2.06639 2.06078 2.57337 2.80959 2.79719 2.75724 2.06994 2.06989 2.05798 2.53705 2.05472 2.82721 2.04929 2.07169 2.06549 2.07164 2.07419 2.09784 2.06127 2.01939 2.09038 1.97441 2.15388 1.97596 2.07971 1.96630 2.02436 2.11033 2.00350 2.09095 2.04534 1.99482 1.91915 1.96796 1.91904 1.88522 1.88250 1.88761 1.96393 1.92992 1.90770 1.89070 1.88685 1.88251 2.21220 2.01858 2.05239 2.14742 1.93044 2.20525 2.10808 2.18250 1.99261 1.92043 1.93136 1.89144 1.83703 1.95984 1.92392 1.93090 1.93149 1.95757 1.85784 1.89116 1.89147 1.98640 1.92081 1.92255 1.88483 1.88736 1.85692 1.81797 1.93076 1.99247 1.89228 1.93761 1.89030 1.95140 2.08660 2.24478 1.89527 2.19621 2.19143 2.16527 2.21815 1.89974 1.91688 1.92088 1.97079 1.85751 1.90184 1.89230 2.21257 2.01445 2.05616 2.16202 2.08953 2.03163 1.93176 1.95510 1.93171 1.89345 1.85527 1.89321 -0.02965 3.09924 2.55988 -1.70050 0.41091 -0.05598 -2.65048 2.48660 -0.10791 2.44358 -0.06257 -0.01782 -2.52397 -2.74632 -0.64134 1.46660 -1.53934 0.56564 2.67358 0.96668 3.07166 -1.10358 0.52087 2.63775 -1.57559 -0.70155 1.41533 -2.79801 3.10399 -1.06232 1.00752 -2.36549 0.17952 0.09468 2.63969 -2.45054 0.69514 2.56866 -0.56884 0.13026 -3.00725 -2.18167 0.94671 2.88866 -0.26615 0.32740 -2.82741 -3.13754 0.00499 -0.00011 -3.14076 2.11388 -2.11448 0.00010 -1.02856 1.02626 3.14085 0.00956 2.12783 -2.11328 -3.13114 -1.01287 1.02921 2.27861 0.24868 -1.88858 0.19725 -1.83268 2.31324 -1.89623 2.35703 0.21976 -2.22952 0.93990 -0.15546 3.01396 1.96163 -1.15214 2.95096 -0.18232 -1.27560 1.87430 0.79882 -2.33446 0.04065 -3.07684 -3.13192 0.03378 1.04226 -0.99721 -3.11438 -2.06627 2.17744 0.06027 -3.03998 0.09298 0.07759 -3.07264 -3.03239 0.10423 0.13729 -3.00927 3.13991 0.00122 0.00339 -3.13530 -2.11001 0.00559 2.12086 1.02876 -3.13881 -1.02355 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 -0.00001 -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 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00002 -0.00002 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00001 0.00001 -0.00002 0.00000 -0.00002 0.00001 0.00003 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00001 -0.00001 0.00000 -0.00003 -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 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00002 0.00002 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00009 0.00009 -0.00003 -0.00002 -0.00004 -0.00001 -0.00003 0.00001 -0.00000 -0.00000 -0.00002 0.00000 -0.00001 0.00014 0.00014 0.00014 0.00015 0.00015 0.00015 0.00013 0.00013 0.00013 0.00005 0.00004 0.00004 0.00005 0.00004 0.00004 0.00007 0.00006 0.00006 0.00005 0.00000 0.00006 0.00001 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00000 -0.00001 -0.00002 -0.00003 0.00002 0.00001 0.00000 -0.00002 0.00000 -0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00010 0.00011 0.00011 0.00008 0.00009 0.00009 0.00004 0.00004 0.00003 0.00002 0.00002 0.00000 0.00005 0.00005 0.00004 -0.00008 -0.00005 -0.00006 -0.00004 -0.00008 -0.00005 0.00009 0.00003 0.00008 0.00002 0.00009 0.00003 0.00008 0.00005 0.00005 0.00002 0.00006 0.00007 0.00006 0.00009 0.00010 0.00009 -0.00013 -0.00007 -0.00010 -0.00003 -0.00047 -0.00041 -0.00051 -0.00045 0.00004 0.00001 -0.00002 -0.00004 -0.00004 -0.00004 -0.00004 -0.00002 -0.00002 -0.00002 0.00001 0.00003 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 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 -0.00001 -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 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -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 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00003 0.00003 -0.00002 -0.00003 -0.00003 0.00000 -0.00001 0.00002 0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 -0.00001 -0.00001 -0.00000 -0.00008 -0.00007 -0.00008 -0.00008 -0.00008 -0.00008 -0.00006 -0.00005 -0.00006 -0.00000 0.00001 -0.00001 0.00000 -0.00006 -0.00006 -0.00007 -0.00006 -0.00005 -0.00005 0.00002 0.00002 0.00003 0.00003 0.00002 0.00002 0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00007 -0.00007 -0.00007 -0.00004 -0.00005 -0.00005 -0.00007 -0.00008 -0.00008 0.00005 0.00003 0.00004 0.00002 0.00007 0.00005 0.00004 0.00004 0.00005 0.00005 0.00005 0.00004 -0.00002 -0.00002 0.00000 -0.00000 -0.00007 -0.00007 -0.00007 -0.00009 -0.00009 -0.00008 -0.00002 -0.00001 -0.00001 -0.00001 -0.00004 -0.00003 -0.00004 -0.00004 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 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00002 -0.00001 -0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00003 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00003 0.00001 0.00002 -0.00002 -0.00000 -0.00003 0.00002 0.00002 -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 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00002 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00002 0.00002 -0.00000 -0.00002 0.00002 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00012 0.00012 -0.00005 -0.00005 -0.00007 -0.00001 -0.00004 0.00003 0.00000 -0.00002 -0.00004 0.00001 -0.00001 0.00015 0.00015 0.00015 0.00016 0.00016 0.00016 0.00012 0.00012 0.00012 -0.00003 -0.00004 -0.00004 -0.00003 -0.00003 -0.00004 0.00001 0.00000 0.00000 0.00004 0.00002 0.00004 0.00001 -0.00009 -0.00009 -0.00009 -0.00009 -0.00007 -0.00007 0.00002 0.00001 0.00001 0.00000 0.00004 0.00003 0.00001 -0.00001 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 -0.00000 -0.00000 -0.00000 0.00009 0.00009 0.00010 0.00007 0.00008 0.00008 -0.00002 -0.00003 -0.00004 -0.00003 -0.00004 -0.00005 -0.00002 -0.00002 -0.00003 -0.00003 -0.00002 -0.00002 -0.00001 -0.00001 -0.00000 0.00013 0.00007 0.00013 0.00007 0.00014 0.00008 0.00006 0.00002 0.00005 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00015 -0.00008 -0.00011 -0.00004 -0.00050 -0.00045 -0.00055 -0.00049 0.00004 0.00002 -0.00002 -0.00004 -0.00004 -0.00004 -0.00004 -0.00002 -0.00002 -0.00002 2.56447 2.75146 2.30398 2.31831 2.85343 2.90708 2.86641 2.86515 2.89424 2.79700 2.04780 2.78134 2.04618 2.06794 2.06115 2.06912 2.05951 2.06906 2.06847 2.53768 2.05400 2.84935 2.84675 2.87645 2.85763 2.06156 2.07238 2.07224 2.06433 2.05989 2.07178 2.07188 2.86330 2.06639 2.06077 2.57338 2.80959 2.79715 2.75725 2.06993 2.06988 2.05797 2.53705 2.05471 2.82721 2.04928 2.07168 2.06548 2.07164 2.07421 2.09786 2.06126 2.01938 2.09035 1.97442 2.15390 1.97594 2.07971 1.96628 2.02438 2.11035 2.00349 2.09095 2.04533 1.99481 1.91915 1.96796 1.91904 1.88522 1.88250 1.88761 1.96393 1.92992 1.90770 1.89070 1.88686 1.88251 2.21220 2.01859 2.05239 2.14741 1.93045 2.20525 2.10808 2.18250 1.99260 1.92043 1.93136 1.89144 1.83703 1.95985 1.92391 1.93090 1.93149 1.95757 1.85784 1.89116 1.89147 1.98639 1.92081 1.92255 1.88484 1.88736 1.85693 1.81797 1.93076 1.99247 1.89229 1.93759 1.89031 1.95140 2.08658 2.24481 1.89527 2.19619 2.19145 2.16525 2.21815 1.89975 1.91687 1.92087 1.97080 1.85752 1.90184 1.89230 2.21258 2.01443 2.05616 2.16201 2.08952 2.03165 1.93176 1.95510 1.93171 1.89345 1.85527 1.89321 -0.02953 3.09936 2.55983 -1.70055 0.41084 -0.05599 -2.65052 2.48663 -0.10791 2.44357 -0.06260 -0.01781 -2.52398 -2.74616 -0.64119 1.46676 -1.53918 0.56580 2.67375 0.96680 3.07178 -1.10346 0.52084 2.63771 -1.57563 -0.70157 1.41529 -2.79805 3.10400 -1.06232 1.00753 -2.36544 0.17953 0.09473 2.63970 -2.45063 0.69506 2.56857 -0.56893 0.13019 -3.00731 -2.18165 0.94672 2.88867 -0.26615 0.32743 -2.82738 -3.13754 0.00498 -0.00011 -3.14077 2.11386 -2.11450 0.00009 -1.02856 1.02626 3.14085 0.00965 2.12792 -2.11318 -3.13107 -1.01279 1.02929 2.27858 0.24865 -1.88863 0.19722 -1.83271 2.31319 -1.89625 2.35701 0.21973 -2.22955 0.93988 -0.15548 3.01394 1.96161 -1.15215 2.95109 -0.18225 -1.27547 1.87437 0.79896 -2.33438 0.04071 -3.07681 -3.13187 0.03379 1.04225 -0.99721 -3.11439 -2.06627 2.17746 0.06028 -3.04013 0.09289 0.07748 -3.07269 -3.03289 0.10379 0.13675 -3.00976 3.13994 0.00123 0.00337 -3.13534 -2.11005 0.00556 2.12082 1.02875 -3.13883 -1.02357 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000001 0.001719 0.000295 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.622638e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 3 4 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 19 19 19 20 20 21 21 22 22 22 10 12 10 18 5 6 7 8 6 9 23 10 24 25 26 27 28 29 30 11 31 13 14 15 16 32 33 34 35 36 37 38 18 39 40 17 19 18 20 41 42 43 21 44 22 45 46 47 48 1.3571 1.456 1.2192 1.2268 1.51 1.5384 1.5168 1.5162 1.5316 1.4801 1.0836 1.4718 1.0828 1.0943 1.0907 1.0949 1.0898 1.0949 1.0946 1.3429 1.0869 1.5078 1.5064 1.5222 1.5122 1.0909 1.0967 1.0966 1.0924 1.09 1.0963 1.0964 1.5152 1.0935 1.0905 1.3618 1.4868 1.4802 1.4591 1.0954 1.0953 1.089 1.3425 1.0873 1.4961 1.0844 1.0963 1.093 1.0963 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 10 5 5 6 6 7 4 4 6 6 9 4 4 5 5 10 4 4 4 25 25 26 4 4 4 28 28 29 5 5 11 1 1 2 9 9 13 1 1 1 15 15 16 11 11 11 33 33 34 11 11 11 36 36 37 12 12 12 18 18 39 12 12 17 16 16 18 3 3 15 16 16 16 41 41 42 17 17 21 20 20 22 21 21 21 46 46 47 1 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 12 7 8 7 8 8 9 23 9 23 23 10 24 10 24 24 25 26 27 26 27 27 28 29 30 29 30 30 11 31 31 2 6 6 13 14 14 15 16 32 16 32 32 33 34 35 34 35 35 36 37 38 37 38 38 18 39 40 39 40 40 17 19 19 18 20 20 15 17 17 41 42 43 42 43 43 21 44 44 22 45 45 46 47 48 47 48 48 118.8426 120.1973 118.1019 115.7024 119.77 113.1251 123.4084 113.2144 119.1586 112.661 115.9874 120.9129 114.7918 119.8023 117.1893 114.2946 109.9591 112.7558 109.9527 108.0153 107.8595 108.1521 112.5251 110.5763 109.3034 108.3292 108.1085 107.8599 126.7498 115.6563 117.5935 123.0378 110.6062 126.3515 120.784 125.0481 114.1679 110.0323 110.659 108.3715 105.2543 112.2903 110.2326 110.6323 110.6665 112.1607 106.4462 108.3556 108.3731 113.8122 110.054 110.1542 107.993 108.1375 106.3938 104.1622 110.6245 114.1601 108.4198 111.0167 108.3064 111.807 119.5534 128.6167 108.5912 125.8333 125.5598 124.0606 127.0904 108.847 109.829 110.0583 112.9178 106.4277 108.9672 108.4207 126.7708 115.4192 117.8094 123.8745 119.7212 116.4041 110.6817 112.0191 110.6786 108.4865 106.299 108.4728 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 12 12 10 10 10 7 7 8 8 7 7 8 8 5 5 5 6 6 6 8 8 8 5 5 5 6 6 6 7 7 7 9 9 23 23 4 4 6 6 23 23 4 4 5 5 24 24 5 5 31 31 9 9 9 14 14 14 9 9 9 13 13 13 1 1 1 16 16 16 32 32 32 1 1 15 15 32 32 12 12 39 39 40 40 12 12 19 19 12 12 12 17 17 17 16 16 20 20 16 16 18 18 17 17 44 44 20 20 20 45 45 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 20 20 20 20 21 21 21 21 21 10 10 12 12 12 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 17 17 17 17 19 19 19 19 19 19 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 2 6 15 16 32 9 23 9 23 10 24 10 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 10 24 10 24 11 31 11 31 11 31 1 2 1 2 1 2 13 14 13 14 33 34 35 33 34 35 36 37 38 36 37 38 18 39 40 18 39 40 18 39 40 17 19 17 19 17 19 3 17 3 17 3 17 18 20 18 20 41 42 43 41 42 43 3 15 3 15 21 44 21 44 22 45 22 45 46 47 48 46 47 -1.6989 177.5736 146.6706 -97.4316 23.5436 -3.2072 -151.8615 142.4717 -6.1826 140.0071 -3.5848 -1.0209 -144.6127 -157.3524 -36.746 84.0302 -88.1978 32.4086 153.1849 55.3868 175.9932 -63.2306 29.8439 151.1317 -90.2748 -40.1956 81.0922 -160.3143 177.8456 -60.8666 57.7268 -135.5323 10.2856 5.425 151.2429 -140.4054 39.8287 147.1735 -32.5923 7.4633 -172.3025 -125.0004 54.2424 165.508 -15.2493 18.7584 -161.9988 -179.7681 0.286 -0.0062 -179.9521 121.1165 -121.1509 0.006 -58.9321 58.8006 179.9574 0.5479 121.9157 -121.0818 -179.4012 -58.0334 58.9691 130.5547 14.2485 -108.2078 11.3014 -105.0048 132.5389 -108.646 135.0478 12.5914 -127.742 53.8521 -8.9073 172.6869 112.3929 -66.013 169.0775 -10.446 -73.0868 107.3897 45.769 -133.7545 2.3289 -176.2898 -179.446 1.9353 59.717 -57.1361 -178.4411 -118.3886 124.7583 3.4533 -174.178 5.3271 4.4454 -176.0495 -173.743 5.9722 7.8664 -172.4184 179.9033 0.0696 0.1941 -179.6396 -120.895 0.3205 121.5161 58.9438 -179.8408 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3 -0.0471620730 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2245,-.5366,.1375;.8991,.0793,-1.703;-4.5046,-2.3134,.3405;2.6821,1.4661,.5123;3.3863,.2853,-.0836;1.9705,.1238,.4358;3.0453,1.9383,1.8988;2.273,2.5965,-.4006;4.4775,-.4313,.6051;.8624,-.1012,-.5068;5.6001,-.9006,.05;-1.421,-.8119,-.5974;6.6091,-1.6409,.8762;5.9672,-.7641,-1.3964;-2.1354,-2.017,-.0145;-2.4034,.3222,-.4651;-3.6297,-.1127,-.0972;-3.5708,-1.5717,.11;-1.9778,1.7052,-.7835;-4.8198,.7129,.0375;-6.0144,.3374,.5061;-7.1811,1.2567,.6092;3.4557,.318,-1.1654;1.8607,-.3814,1.3889;2.2302,2.5266,2.3241;3.2528,1.1211,2.5879;3.9293,2.5778,1.8624;2.1274,2.2884,-1.4335;1.3497,3.065,-.0529;3.0492,3.3639,-.3986;4.3334,-.6059,1.6675;-1.1813,-.968,-1.6518;6.7841,-2.642,.4733;7.5765,-1.1322,.8645;6.2958,-1.7462,1.9147;5.2773,-.1502,-1.972;6.963,-.325,-1.4966;6.0169,-1.7469,-1.873;-1.7584,-2.2538,.9838;-2.0471,-2.9165,-.6229;-1.5798,1.7548,-1.7992;-1.1744,2.028,-.1165;-2.7848,2.4283,-.6976;-4.7096,1.7459,-.2786;-6.1804,-.6782,.8415;-7.5299,1.3284,1.642;-6.9464,2.2613,.2579;-8.0261,.8801,.028; 0.000000 2.242537 0.000000 4.638727 6.253098 0.000000 3.549586 3.163751 8.121763 0.000000 3.709720 2.974991 8.318627 1.498389 0.000000 2.311498 2.392476 6.919255 1.521161 1.516691 0.000000 4.463061 4.586345 8.803759 1.509117 2.603599 2.566705 0.000000 4.042674 3.149560 8.401912 1.509459 2.584827 2.627746 2.513368 0.000000 4.726330 4.288635 9.180997 2.613803 1.475993 2.573298 3.056102 3.877940 0.000000 1.336436 1.210230 5.866605 2.608846 2.588109 1.472040 3.835543 3.046033 3.796571 0.000000 5.836607 5.111982 10.207163 3.785463 2.515023 3.791114 4.243194 4.847923 1.337428 4.836822 0.000000 1.430895 2.720184 3.555697 4.822442 4.957590 3.666760 5.808807 5.030029 6.031826 2.393180 7.051454 0.000000 6.961511 6.497288 11.146907 5.020679 3.875326 4.982464 5.153385 6.195768 2.465867 6.107994 1.499564 8.206148 0.000000 6.382922 5.146940 10.727397 4.405527 3.079919 4.485451 5.167116 5.092376 2.517155 5.223970 1.498488 7.431458 2.519026 0.000000 2.422056 4.056349 2.413914 5.968086 5.982868 4.652353 6.793002 6.392771 6.828544 3.591645 7.815951 1.517415 8.797783 8.314600 0.000000 2.418335 3.535245 3.465581 5.303414 5.802354 4.470099 6.155335 5.200515 7.004255 3.293417 8.112757 1.506220 9.320818 8.492044 2.397211 0.000000 3.439542 4.808923 2.408311 6.534768 7.027293 5.630475 7.262667 6.501832 8.143796 4.510794 9.264571 2.370126 10.397877 9.706372 2.422001 1.352155 0.000000 3.502906 5.098386 1.214546 6.963434 7.203310 5.804071 7.700189 7.196185 8.143788 4.711359 9.195679 2.387409 10.208943 9.690028 1.508057 2.297937 1.474820 0.000000 2.991310 3.430105 4.878245 4.842568 5.592753 4.424473 5.699112 4.360041 6.939948 3.377318 8.056631 2.584638 9.364031 8.342437 3.804084 1.481655 2.550430 3.751591 0.000000 4.763207 6.011393 3.057675 7.554534 8.218090 6.827390 8.174658 7.351698 9.384581 5.765985 10.544091 3.778878 11.698830 10.981689 3.828950 2.498851 1.454666 2.604710 3.120224 0.000000 5.867113 7.262474 3.055114 8.769422 9.419292 7.988031 9.304815 8.637483 10.520455 6.964844 11.689203 4.861904 12.782905 12.181638 4.567376 3.739358 2.500671 3.126133 4.452873 1.337011 0.000000 7.199519 8.486601 4.470002 9.865903 10.634522 9.223058 10.329881 9.601812 11.780138 8.233320 12.974051 6.238082 14.093839 13.453051 6.046884 4.985363 3.871248 4.613331 5.405118 2.489633 1.488890 0.000000 3.996395 2.623324 8.518101 2.175078 1.084463 2.192525 3.490429 2.678624 2.177172 2.708189 2.749694 5.037955 4.236681 2.744494 6.167419 5.900767 7.178379 7.387121 5.620717 8.371743 9.616457 10.824556 0.000000 2.436833 3.270578 6.734146 2.203798 2.222724 1.084381 2.654141 3.498649 2.732135 2.160780 4.005705 3.860084 4.939282 4.976775 4.540211 4.702655 5.694322 5.705587 4.879251 6.903068 7.956927 9.221991 3.091560 0.000000 4.493354 4.896742 8.527502 2.147457 3.486662 3.066990 1.091431 2.725938 4.093154 4.097570 5.317252 5.745609 6.216018 6.215752 6.721027 5.840352 6.867873 7.439795 5.295165 7.630233 8.721862 9.650220 4.307656 3.076966 0.000000 4.565565 5.003661 8.776373 2.180151 2.802377 2.696399 1.088925 3.473916 2.800172 4.096982 4.004713 5.977232 4.671498 5.176503 6.756735 6.477057 7.490110 7.742971 6.250321 8.475739 9.530436 10.620773 3.843578 2.373436 1.758060 0.000000 5.470714 5.304316 9.867665 2.148053 3.055659 3.448764 1.091687 2.804426 3.306874 4.711216 4.263239 6.794558 5.094218 5.093173 7.836812 7.113944 8.259398 8.748783 6.531107 9.129865 10.282775 11.258645 3.807632 3.641473 1.761449 1.762370 0.000000 3.997512 2.541926 8.264820 2.184035 2.723875 2.864329 3.474140 1.087657 4.132274 2.858160 4.942742 4.785594 6.392212 4.905475 6.222693 5.033087 6.379291 7.053583 4.197023 7.273892 8.594007 9.585668 2.391410 3.894311 3.766559 4.336032 3.767433 0.000000 3.935233 3.440937 7.959610 2.156619 3.446002 3.045407 2.820178 1.092148 4.737024 3.235449 5.813955 4.796214 7.118245 6.147182 6.162358 4.666818 5.907193 6.762977 3.668126 6.603316 7.872899 8.745508 3.635715 3.770655 2.591366 3.791346 3.249573 1.764619 0.000000 5.120395 4.136754 9.478294 2.136852 3.112973 3.515388 2.703801 1.091531 4.177418 4.098841 4.989451 6.120402 6.272680 5.152759 7.482119 6.243989 7.535621 8.273088 5.307517 8.314981 9.598249 10.493567 3.167143 4.316897 2.963924 3.740447 2.550412 1.754275 1.759811 0.000000 4.808355 4.860403 9.098787 2.890404 2.181186 2.762800 2.861076 4.333284 1.086183 4.126753 2.075423 6.187533 2.622191 3.475814 6.831286 7.127003 8.171241 8.113946 7.153979 9.390275 10.455430 11.712117 3.106260 2.498504 3.829753 2.235466 3.215101 4.781179 5.033606 4.655864 0.000000 2.074331 2.329709 4.101689 5.053065 4.989224 3.934901 6.238343 5.118874 6.115795 2.497794 6.991974 1.092472 8.217836 7.155969 2.165982 2.136895 3.023752 3.029611 2.921387 4.349495 5.451600 6.786694 4.836477 4.340894 6.297456 6.480766 7.144203 4.647486 5.022702 6.183263 6.446726 0.000000 7.325700 6.839201 11.294321 5.805560 4.519368 5.551794 6.081966 6.968184 3.197708 6.517892 2.147902 8.474652 1.093207 2.772996 8.954716 9.699359 10.731771 10.416474 9.861463 12.087014 13.140781 14.499850 4.746093 5.494444 7.132859 5.576942 6.109449 7.044876 7.898033 7.126074 3.402593 8.412224 0.000000 7.857355 7.255785 12.150010 5.552473 4.523932 5.760947 5.570405 6.605322 3.187837 6.929783 2.150119 9.121082 1.093080 2.799421 9.791651 10.172555 11.293487 11.181458 10.101985 12.560066 13.674777 14.951844 4.817103 5.788690 6.640723 5.171167 5.297276 6.831847 7.565041 6.504357 3.382143 9.113533 1.749397 0.000000 6.865594 6.748670 10.929321 5.034397 4.072608 4.938948 4.913496 6.356357 2.598206 6.171876 2.162447 8.169049 1.089788 3.469267 8.653404 9.253043 10.258317 10.031891 9.361909 11.538123 12.564539 13.869029 4.670604 4.670104 5.912191 4.234936 4.929538 6.698157 7.175184 6.481199 2.283117 8.320604 1.765905 1.766333 0.000000 5.904995 4.392434 10.281707 3.939449 2.707734 4.099739 4.932288 4.363422 2.713022 4.651932 2.180852 6.869836 3.479740 1.088247 7.890857 7.841381 9.102278 9.200307 7.582309 10.331249 11.570721 12.800546 2.046535 4.798247 5.908185 5.148566 4.895054 4.019811 5.426433 4.448505 3.787409 6.518015 3.802542 3.781088 4.323387 0.000000 7.373928 6.080836 11.782843 5.056628 3.893828 5.372227 5.656841 5.633127 3.256729 6.184401 2.140293 8.446126 2.736295 1.092898 9.372359 9.445228 10.686866 10.728362 9.196067 11.927487 13.147718 14.387205 3.581136 5.862024 6.717745 5.704332 5.376956 5.497002 6.714504 5.489203 4.123668 8.171091 3.046490 2.569594 3.755272 1.760170 0.000000 6.667908 5.436457 10.766709 5.208995 3.775167 5.020302 6.052936 5.920268 3.200276 5.580599 2.141968 7.604141 2.814300 1.093458 8.365801 8.784304 9.943861 9.792199 8.776011 11.275358 12.440086 13.761137 3.365166 5.456994 7.086409 5.980387 6.083903 5.621851 6.946162 6.091115 4.082985 7.243513 2.625842 3.210058 3.797980 1.762474 1.748977 0.000000 2.453160 4.441239 2.821216 5.811900 5.835605 4.456238 6.440994 6.457104 6.507781 3.704666 7.539941 2.166408 8.390562 8.220089 1.093087 3.025097 3.042186 2.124561 4.341124 4.366809 5.005646 6.470690 6.198353 4.094824 6.368509 6.251048 7.514400 6.447850 6.247014 7.522163 6.347718 2.988750 8.566551 9.402754 8.123721 7.916019 9.270146 8.298955 0.000000 3.092558 4.338369 2.707688 6.546830 6.329603 5.148327 7.473984 7.007527 7.089029 4.050279 7.937014 2.195925 8.877124 8.334284 1.089550 3.262042 3.262272 2.160475 4.625024 4.614842 5.253833 6.729923 6.405963 5.073925 7.523805 7.395993 8.490053 6.721192 6.902297 8.091102 7.162113 2.367434 8.903209 9.899941 8.798486 7.944754 9.415991 8.243628 1.761846 0.000000 3.292134 2.993632 5.448201 4.856942 5.455693 4.501071 5.924528 4.184305 6.873883 3.328576 7.875415 2.838555 9.259951 7.966504 4.209569 2.123782 3.253672 4.321471 1.091998 3.867367 5.195070 6.117406 5.274680 5.154081 5.666843 6.557616 6.665910 3.763202 3.653528 5.096895 7.249606 2.755804 9.718621 9.963308 9.384895 7.118927 8.797550 8.365232 4.883247 4.839755 0.000000 2.746631 3.257896 5.490567 3.947625 4.882405 3.717670 4.677088 3.505517 6.205838 2.972267 7.382314 2.890822 8.661928 7.774125 4.158814 2.131129 3.257510 4.330337 1.092903 3.878379 5.164369 6.099317 5.045981 4.157314 4.218591 5.266553 5.501463 3.564324 2.729638 4.438834 6.360498 3.366470 9.246340 9.355580 8.612500 7.057789 8.582468 8.309617 4.459304 5.046373 1.752256 0.000000 4.005448 4.483309 5.149712 5.681243 6.561372 5.404433 6.400862 5.069281 7.912960 4.442644 9.052483 3.516977 10.357634 9.342263 4.544183 2.153031 2.744344 4.155808 1.087010 2.761252 4.031277 4.733725 6.604216 5.816261 5.855814 6.996879 7.187127 4.968957 4.232652 5.916070 8.091298 3.875188 10.892360 11.066761 10.330017 8.559816 10.160639 9.812412 5.079718 5.396058 1.766071 1.758212 0.000000 5.049666 6.021969 4.111353 7.439108 8.228853 6.911178 8.056999 7.035228 9.482760 5.874606 10.649016 4.178376 11.870796 11.024692 4.566802 2.716673 2.157205 3.529089 2.778359 1.085933 2.074153 2.671319 8.336453 7.104519 7.452765 8.485674 8.938988 6.955002 6.205329 7.926565 9.544303 4.658349 12.325747 12.670305 11.752642 10.305379 11.917262 11.392911 5.128462 5.380142 3.479606 3.550073 2.084725 0.000000 5.999035 7.560915 2.394382 9.124126 9.659450 8.200253 9.647603 9.150168 10.663332 7.193880 11.809141 4.973941 12.825677 12.352325 4.345902 4.119882 2.776108 2.853611 5.097332 2.105363 1.082356 2.190660 9.893084 8.065118 9.121770 9.760771 10.670003 9.110167 8.456592 10.151897 10.546454 5.593884 13.117563 13.764348 12.567758 11.809880 13.354395 12.541258 4.696485 4.923314 5.835891 5.770645 4.852763 3.048610 0.000000 7.688351 9.154067 4.910083 10.275178 11.100805 9.652066 10.595803 10.093365 12.179812 8.780185 13.412650 6.849399 14.467650 13.992210 6.560186 5.633214 4.506990 5.141172 6.070452 3.208995 2.137499 1.092470 11.383497 9.548286 9.856974 10.826087 11.529172 10.180498 9.205197 10.964635 12.019986 7.511813 14.900349 15.325147 14.166091 13.389217 14.920709 14.329221 6.824657 7.294567 6.886672 6.631212 5.403624 3.437554 2.547240 0.000000 7.281911 8.376016 5.186156 9.664567 10.525402 9.171146 10.130595 9.248905 11.741973 8.194077 12.940411 6.380082 14.119443 13.366006 6.443825 4.992121 4.094140 5.109564 5.106900 2.639756 2.152028 1.089825 10.677262 9.264262 9.410031 10.523873 10.997913 9.230072 8.340729 10.077571 11.723509 6.878336 14.581294 14.926332 13.934149 12.657236 14.256121 13.735031 6.915777 7.182502 5.769554 5.788753 4.273118 2.357238 3.093142 1.768109 0.000000 7.929933 9.126700 4.764104 10.735100 11.428369 10.033389 11.278017 10.449877 12.585355 8.958468 13.742054 6.846971 14.874884 14.161380 6.564669 5.671751 4.508796 5.085985 6.157998 3.210641 2.137736 1.092446 11.557254 10.059376 10.638323 11.568247 12.213821 10.354303 9.627348 11.358346 12.555997 7.286195 15.229748 15.753978 14.682447 13.492269 15.114520 14.412450 7.072415 7.112433 6.757044 6.948611 5.513109 3.441320 2.548847 1.747021 1.768091 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2892,-.56,.1617;.8288,-.0313,-1.709;-4.5365,-2.4014,.4583;2.5786,1.5149,.4258;3.3064,.3148,-.0989;1.8922,.1574,.4259;2.9284,2.0736,1.7833;2.1517,2.5825,-.5522;4.4084,-.3401,.6328;.7916,-.1426,-.5044;5.5413,-.8199,.1084;-1.478,-.8998,-.5586;6.5611,-1.492,.9785;5.9106,-.7608,-1.3427;-2.172,-2.0821,.0919;-2.4817,.2215,-.4946;-3.7009,-.214,-.1048;-3.6158,-1.6571,.1871;-2.0806,1.5914,-.8919;-4.9065,.5957,-.0209;-6.0955,.226,.4661;-7.2793,1.1277,.513;3.3788,.2858,-1.1805;1.7886,-.2936,1.4066;2.1013,2.6703,2.1719;3.1488,1.3018,2.5192;3.8006,2.7262,1.7117;2.0152,2.2123,-1.5658;1.2188,3.0531,-.2344;2.9136,3.3631,-.5931;4.2641,-.4553,1.7032;-1.232,-1.1124,-1.6015;6.7559,-2.5114,.6349;7.5189,-.9669,.9394;6.2464,-1.5426,2.0206;5.2114,-.1944,-1.9546;6.8984,-.3098,-1.4661;5.98,-1.7686,-1.7612;-1.7939,-2.2534,1.1031;-2.065,-3.0136,-.463;-1.6803,1.5894,-1.9079;-1.2855,1.9673,-.2431;-2.9011,2.3032,-.8501;-4.8143,1.6105,-.3963;-6.2438,-.7714,.8596;-7.6327,1.2529,1.5391;-7.062,2.1144,.1044;-8.1152,.7024,-.0472; 0.6742985 0.1010981 0.0948528 -19.17797 -19.12101 -19.11970 -10.31182 -10.26703 -10.24174 -10.20574 -10.19510 -10.18739 -10.18443 -10.18061 -10.17569 -10.17418 -10.17286 -10.17099 -10.16653 -10.15846 -10.15743 -10.15423 -10.15371 -10.15342 -10.15285 -1.12572 -1.05796 -1.03692 -0.89055 -0.87607 -0.80862 -0.80462 -0.76676 -0.74898 -0.73496 -0.71051 -0.69110 -0.68734 -0.68166 -0.67180 -0.63104 -0.58660 -0.58115 -0.55856 -0.55545 -0.53721 -0.52707 -0.50210 -0.49352 -0.48647 -0.47809 -0.47003 -0.45732 -0.45172 -0.44110 -0.43664 -0.43093 -0.42616 -0.42236 -0.42128 -0.41280 -0.40927 -0.40364 -0.39871 -0.39632 -0.38937 -0.38259 -0.37993 -0.37870 -0.37476 -0.36898 -0.36699 -0.36254 -0.36048 -0.35340 -0.35149 -0.32797 -0.31923 -0.31647 -0.31434 -0.29630 -0.28138 -0.26310 -0.23462 -0.22683 -0.06131 -0.01598 -0.01185 0.00537 0.01328 0.01638 0.02025 0.02410 0.02465 0.03214 0.03690 0.04077 0.04360 0.04735 0.04885 0.05392 0.05475 0.05586 0.05844 0.06237 0.06356 0.06810 0.07172 0.07528 0.08060 0.08171 0.08644 0.08700 0.08762 0.09334 0.09490 0.09904 0.10291 0.10429 0.10747 0.11049 0.11633 0.11959 0.12161 0.12442 0.12870 0.13071 0.13486 0.13801 0.14018 0.14032 0.14572 0.14652 0.15161 0.15427 0.15649 0.15908 0.16105 0.16623 0.16850 0.17569 0.17770 0.17981 0.18333 0.18566 0.18821 0.19068 0.19588 0.19688 0.19909 0.20117 0.20179 0.20555 0.21166 0.21456 0.21658 0.21972 0.22124 0.22401 0.22478 0.22631 0.23281 0.23490 0.23577 0.23691 0.23847 0.24141 0.24242 0.24566 0.24938 0.25093 0.25286 0.25672 0.25875 0.26090 0.26235 0.26763 0.27003 0.27209 0.27496 0.27776 0.28250 0.28418 0.28664 0.28958 0.29169 0.29558 0.29835 0.30159 0.30368 0.30726 0.30885 0.31350 0.31929 0.32109 0.32246 0.32844 0.33111 0.33169 0.33312 0.34410 0.34879 0.35094 0.35691 0.36382 0.36887 0.37283 0.37967 0.38500 0.38875 0.39300 0.40042 0.40429 0.40974 0.41529 0.42139 0.42639 0.42964 0.43475 0.43862 0.44452 0.44744 0.45726 0.46207 0.46362 0.46782 0.47378 0.47919 0.48708 0.49221 0.49946 0.50358 0.51468 0.52908 0.53153 0.54074 0.54138 0.54756 0.55423 0.55804 0.56991 0.57607 0.57880 0.58200 0.59265 0.59781 0.60137 0.60711 0.61314 0.61907 0.62247 0.62402 0.62681 0.63107 0.63415 0.63758 0.64443 0.64589 0.64963 0.65588 0.66208 0.66389 0.66866 0.67289 0.67592 0.67726 0.68302 0.68917 0.69392 0.69854 0.70055 0.70566 0.70973 0.71131 0.71340 0.71830 0.72398 0.72721 0.73281 0.73528 0.74046 0.74253 0.74436 0.74762 0.75521 0.75716 0.76288 0.76352 0.76601 0.77490 0.78110 0.78490 0.80145 0.80476 0.80785 0.81846 0.82243 0.82843 0.83976 0.84773 0.85279 0.87285 0.87697 0.88136 0.88785 0.89712 0.91122 0.91820 0.92641 0.93149 0.94494 0.95342 0.96065 0.96941 0.97136 0.98314 1.00023 1.00798 1.01346 1.02720 1.04337 1.05566 1.06834 1.07565 1.08777 1.09545 1.10074 1.10580 1.10976 1.11900 1.12285 1.15051 1.15236 1.16576 1.17522 1.17962 1.18417 1.20468 1.21289 1.23626 1.25443 1.25869 1.26031 1.28130 1.28394 1.31828 1.32180 1.33408 1.35185 1.36200 1.37488 1.37990 1.38894 1.39940 1.40593 1.41390 1.41944 1.42692 1.44095 1.45533 1.45867 1.46796 1.46904 1.47409 1.47585 1.47904 1.48454 1.48973 1.50114 1.51200 1.52291 1.52580 1.52708 1.53538 1.53733 1.55476 1.56174 1.56848 1.57162 1.57510 1.58324 1.58602 1.59023 1.59406 1.59943 1.60162 1.61258 1.61608 1.62710 1.63163 1.63516 1.64466 1.66091 1.66461 1.66854 1.67379 1.68106 1.68371 1.69211 1.70282 1.70414 1.70525 1.71473 1.72197 1.72617 1.73841 1.74151 1.75026 1.75458 1.76293 1.76812 1.77244 1.78319 1.78446 1.79085 1.80313 1.80540 1.81024 1.82604 1.83134 1.84426 1.85164 1.86204 1.86732 1.88503 1.89513 1.90175 1.90824 1.91281 1.93587 1.93796 1.94401 1.95535 1.97190 1.97387 1.98708 2.01529 2.02102 2.03095 2.03833 2.04991 2.05540 2.05922 2.06053 2.07177 2.07647 2.09459 2.10518 2.11065 2.11727 2.12466 2.13590 2.14866 2.14930 2.15949 2.17511 2.17854 2.18647 2.19322 2.19736 2.20972 2.23103 2.24703 2.25532 2.26990 2.29390 2.29916 2.32633 2.33061 2.34132 2.36111 2.36509 2.36932 2.37895 2.40278 2.41478 2.41829 2.43158 2.43741 2.44693 2.45469 2.46087 2.47748 2.47993 2.49287 2.50185 2.51289 2.51874 2.52383 2.52789 2.53043 2.53870 2.54087 2.54768 2.55213 2.56126 2.56737 2.57716 2.58033 2.58582 2.58967 2.59117 2.59576 2.60867 2.62014 2.62864 2.63506 2.65089 2.66953 2.67296 2.67753 2.68691 2.69441 2.70474 2.72220 2.72459 2.73245 2.74801 2.75474 2.76199 2.77858 2.77994 2.79667 2.80729 2.81760 2.82985 2.84098 2.85118 2.85584 2.86561 2.87698 2.88433 2.89024 2.89953 2.90739 2.92378 2.93198 2.94503 2.95348 2.96200 2.98140 2.98544 2.98913 2.99588 3.01199 3.02263 3.05769 3.06796 3.07308 3.07671 3.09309 3.10427 3.11886 3.13567 3.15204 3.16737 3.17803 3.19901 3.21576 3.23762 3.25412 3.25913 3.26340 3.29018 3.31163 3.33130 3.35638 3.36195 3.37956 3.38542 3.46834 3.49763 3.56650 3.59102 3.60264 3.63930 3.68168 3.68332 3.70105 3.71737 3.76921 3.77907 3.80376 3.81032 3.82236 3.82248 3.83964 3.84462 3.84828 3.85358 3.85794 3.86331 3.86689 3.87444 3.92671 3.95935 4.06126 4.10965 4.16783 4.18409 4.23859 4.28360 4.29694 4.32836 4.33750 4.42157 4.52594 4.56832 4.59844 4.61978 5.06668 5.10110 5.13884 5.22159 5.29818 5.40532 5.69419 5.74093 5.93424 23.63899 23.70564 23.81999 23.83474 23.85406 23.88771 23.90667 23.91531 23.93318 23.95406 23.98103 23.98870 24.00820 24.01019 24.01380 24.02908 24.18311 24.26560 24.27398 49.93455 50.02621 50.03489 1-A. 3.7118 4.1376 1.0683 5.6602 -136.5854 -135.9155 -137.0368 -21.1965 6.7611 1.8224 -0.0728 0.5971 -0.5242 -21.1965 6.7611 1.8224 100.4115 24.9530 12.1187 39.4720 97.7256 -11.8585 2.5298 -4.9048 -12.5798 -7.3980 -12880.2998 -1715.1565 -775.4368 -657.9222 -106.4243 -126.4464 24.4586 13.3743 -10.3516 -2719.0737 -2366.6316 -403.4993 40.2444 34.2867 4.4245 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2297,-.638,.1529;.8978,.0356,-1.693;-4.5776,-2.293,.3712;2.6492,1.4443,.5539;3.3909,.2801,-.0581;1.9654,.0694,.4608;2.9913,1.9154,1.9546;2.2059,2.569,-.361;4.5125,-.4149,.6125;.8678,-.1663,-.491;5.6382,-.866,.0357;-1.4428,-.883,-.6141;6.697,-1.564,.8512;5.9716,-.738,-1.4278;-2.1963,-2.0709,-.0326;-2.3935,.2872,-.4971;-3.6388,-.1091,-.1142;-3.6194,-1.5715,.1139;-1.9156,1.656,-.8262;-4.8071,.7549,.0181;-6.0105,.4105,.5037;-7.1669,1.3534,.6121;3.4391,.3253,-1.1397;1.8542,-.4473,1.4059;2.1429,2.4569,2.3841;3.2422,1.0937,2.6266;3.8445,2.6007,1.9203;1.9987,2.2258,-1.3744;1.304,3.0507,.0305;2.9951,3.3258,-.4128;4.3969,-.5721,1.6818;-1.1644,-1.04,-1.6572;6.8748,-2.5763,.4686;7.6536,-1.0326,.7796;6.4225,-1.6382,1.906;5.207,-.2235,-2.01;6.9152,-.1939,-1.5522;6.126,-1.73,-1.8683;-1.8138,-2.3208,.9608;-2.1587,-2.9689,-.6501;-1.5741,1.6902,-1.8664;-1.0486,1.9103,-.207;-2.6791,2.4186,-.6791;-4.6682,1.7815,-.3119;-6.1815,-.6039,.8471;-7.5001,1.4394,1.653;-6.9173,2.352,.2446;-8.0264,.9789,.0439; 0.000000 2.265436 0.000000 4.657380 6.297900 0.000000 3.575603 3.178149 8.138068 0.000000 3.741148 2.991407 8.384664 1.509969 0.000000 2.326764 2.404178 6.957045 1.538361 1.531556 0.000000 4.487833 4.606658 8.803741 1.516846 2.623903 2.586774 0.000000 4.059696 3.147010 8.378039 1.516170 2.595294 2.642253 2.531015 0.000000 4.769700 4.311040 9.285299 2.632842 1.480114 2.597186 3.089610 3.895180 0.000000 1.357064 1.219213 5.909249 2.619016 2.598588 1.471831 3.850121 3.047852 3.816231 0.000000 5.873492 5.125705 10.320449 3.813120 2.524392 3.813783 4.292405 4.872157 1.342885 4.850094 0.000000 1.456008 2.736116 3.575740 4.850312 5.002699 3.698484 5.838707 5.029290 6.098388 2.422384 7.110792 0.000000 7.023179 6.531731 11.308398 5.052012 3.893316 5.020813 5.201572 6.222722 2.479806 6.142882 1.507809 8.298707 0.000000 6.400367 5.139302 10.813922 4.441545 3.093930 4.502016 5.230976 5.123955 2.529057 5.220431 1.506437 7.460360 2.530362 0.000000 2.440340 4.094838 2.425486 6.014978 6.061762 4.705802 6.837455 6.404392 6.940294 3.636842 7.926922 1.522151 8.951551 8.392760 0.000000 2.441369 3.510856 3.490201 5.279461 5.801056 4.468248 6.136571 5.136129 7.029765 3.292704 8.131525 1.512196 9.374574 8.478920 2.411410 0.000000 3.460211 4.805643 2.426167 6.511463 7.040723 5.636500 7.234418 6.433816 8.189411 4.522726 9.309039 2.381407 10.482304 9.720136 2.436363 1.361768 0.000000 3.516065 5.123706 1.226793 6.970210 7.252708 5.831183 7.697205 7.162621 8.228863 4.740816 9.284711 2.396108 10.342705 9.749777 1.515194 2.308828 1.480207 0.000000 3.010533 3.360391 4.910684 4.773634 5.535579 4.385933 5.646040 4.246976 6.905074 3.343762 8.010220 2.591349 9.346676 8.264453 3.820773 1.486770 2.567504 3.768759 0.000000 4.786526 5.999263 3.076781 7.507316 8.212131 6.821531 8.118609 7.253779 9.411583 5.771718 10.570339 3.794819 11.765069 10.977249 3.847522 2.511911 1.459070 2.613787 3.144176 0.000000 5.885544 7.258785 3.062539 8.721364 9.419071 7.983315 9.241305 8.539078 10.555911 6.973745 11.727742 4.877071 12.864693 12.190969 4.581731 3.754890 2.505303 3.130104 4.481961 1.342549 0.000000 7.231986 8.490569 4.478690 9.816770 10.633412 9.223427 10.261932 9.501285 11.812587 8.251285 13.008817 6.266611 14.169620 13.459424 6.070271 5.015255 3.887694 4.624785 5.453139 2.505956 1.496097 0.000000 4.007309 2.616906 8.567716 2.178130 1.083649 2.190623 3.507643 2.676094 2.184177 2.696990 2.763515 5.056595 4.260034 2.761750 6.222946 5.867986 7.164965 7.415576 5.526451 8.338144 9.591759 10.798751 0.000000 2.439087 3.278881 6.770951 2.221697 2.243570 1.082790 2.678873 3.513386 2.774367 2.156407 4.046121 3.891108 5.000743 5.006686 4.594817 4.712085 5.709516 5.735243 4.859828 6.909745 7.962623 9.233305 3.096547 0.000000 4.492904 4.902668 8.472241 2.152103 3.501528 3.070974 1.094310 2.748141 4.123256 4.095549 5.364178 5.744730 6.265615 6.276705 6.720914 5.795511 6.801070 7.388207 5.236346 7.536432 8.614045 9.540998 4.317556 3.078134 0.000000 4.601295 5.027390 8.815073 2.184119 2.809202 2.714735 1.090716 3.489425 2.818920 4.116371 4.036642 6.029813 4.706556 5.219481 6.831062 6.493710 7.503776 7.777997 6.232226 8.468162 9.517612 10.605403 3.848926 2.406513 1.767896 0.000000 5.496590 5.321601 9.863104 2.152488 3.083083 3.474019 1.094931 2.809036 3.354197 4.725649 4.334472 6.820254 5.159930 5.184713 7.882258 7.078793 8.214811 8.739573 6.450993 9.048575 10.194383 11.158827 3.834819 3.676475 1.769554 1.769930 0.000000 3.936947 2.471932 8.167897 2.180038 2.730773 2.831862 3.487682 1.089848 4.152228 2.789523 4.979369 4.699649 6.433599 4.956912 6.153050 4.880500 6.230671 6.942409 3.993345 7.100825 8.424326 9.418899 2.396199 3.859596 3.768412 4.340041 3.795158 0.000000 3.996717 3.496670 7.953907 2.159734 3.469863 3.084013 2.799626 1.094902 4.758616 3.288101 5.841810 4.840947 7.145266 6.186102 6.203797 4.646180 5.868288 6.753609 3.611791 6.528147 7.790772 8.658825 3.654611 3.798767 2.568211 3.784947 3.198163 1.771184 0.000000 5.141049 4.106425 9.462076 2.143389 3.091734 3.525239 2.755640 1.094590 4.164917 4.089718 4.975777 6.119574 6.261967 5.138451 7.497933 6.186837 7.476371 8.246902 5.203259 8.226157 9.509946 10.402264 3.119015 4.341091 3.050213 3.778987 2.586639 1.768464 1.769762 0.000000 4.873102 4.899210 9.231498 2.896911 2.182950 2.795382 2.870163 4.340544 1.086931 4.164119 2.082532 6.282507 2.639023 3.489533 6.975378 7.182953 8.246953 8.229019 7.148578 9.446799 10.519806 11.771715 3.111853 2.560611 3.840414 2.236304 3.229382 4.787510 5.041601 4.641733 0.000000 2.076378 2.326071 4.163501 5.060029 5.005008 3.938547 6.248857 5.105252 6.145690 2.500598 7.012178 1.090930 8.268513 7.146035 2.183294 2.148930 3.061049 3.073472 2.919452 4.392902 5.500702 6.848992 4.829418 4.341108 6.284761 6.505421 7.151371 4.555227 5.067049 6.157033 6.503438 0.000000 7.370920 6.871619 11.456331 5.833285 4.535783 5.576860 6.120856 6.997228 3.205057 6.543119 2.154409 8.556999 1.096661 2.791329 9.099009 9.748480 10.814912 10.548092 9.841748 12.155911 13.226935 14.581933 4.775985 5.533258 7.168899 5.596591 6.171816 7.087549 7.930274 7.117790 3.410064 8.456178 0.000000 7.918013 7.272975 12.302763 5.588332 4.538203 5.802694 5.639905 6.629531 3.205564 6.957851 2.154779 9.203794 1.096584 2.790829 9.937747 10.213511 11.365310 11.305430 10.068632 12.611276 13.742833 15.012297 4.825987 5.862367 6.717080 5.233869 5.386228 6.872820 7.586359 6.489929 3.410598 9.148459 1.756730 0.000000 6.951665 6.802719 11.125951 5.056414 4.089965 4.986968 4.940034 6.373402 2.611024 6.226274 2.170124 8.293645 1.092399 3.482517 8.844751 9.338278 10.375419 10.200711 9.372358 11.635937 12.678422 13.974849 4.693890 4.747363 5.942555 4.254114 4.961344 6.727720 7.190487 6.462593 2.300006 8.403225 1.774973 1.775106 0.000000 5.865807 4.328646 10.280685 3.987109 2.713236 4.086387 5.020151 4.418598 2.719641 4.597734 2.187125 6.826713 3.493402 1.090049 7.882423 7.766441 9.047420 9.177861 7.460944 10.264177 11.513151 12.746632 2.045526 4.791585 5.990112 5.205127 5.027896 4.086124 5.487989 4.476676 3.795657 6.433177 3.802698 3.797683 4.337471 0.000000 7.358991 6.023492 11.840272 5.031686 3.857178 5.349972 5.669556 5.588442 3.241565 6.139884 2.145691 8.438744 2.775140 1.096344 9.426198 9.380697 10.651909 10.754145 9.051699 11.865068 13.102145 14.331295 3.538861 5.867551 6.730268 5.710651 5.412708 5.482630 6.672259 5.390146 4.116288 8.124474 3.124267 2.585738 3.779928 1.768754 0.000000 6.758183 5.521124 10.949921 5.294454 3.846834 5.096404 6.142488 6.010112 3.238418 5.656048 2.146994 7.718689 2.783803 1.096395 8.529226 8.861814 10.052677 9.946199 8.787449 11.369562 12.550011 13.869493 3.460491 5.532974 7.174887 6.041050 6.189861 5.738264 7.050792 6.122275 4.115079 7.326022 2.595746 3.135502 3.787018 1.770416 1.755724 0.000000 2.448271 4.466332 2.826137 5.853212 5.906924 4.499512 6.482419 6.466498 6.616387 3.733736 7.648822 2.164542 8.545131 8.295995 1.093488 3.043484 3.062316 2.130395 4.361055 4.394088 5.027983 6.502085 6.245536 4.142768 6.364583 6.324284 7.560341 6.376513 6.280066 7.542923 6.492320 2.985964 8.706280 9.556353 8.318409 7.906738 9.329278 8.449499 0.000000 3.130345 4.410999 2.711361 6.636421 6.457888 5.241544 7.560626 7.057070 7.254127 4.127928 8.104521 2.205663 9.091264 8.466598 1.090516 3.268166 3.264459 2.161072 4.634705 4.618178 5.252440 6.734898 6.513551 5.166129 7.559764 7.510712 8.582927 6.692806 6.977809 8.138842 7.359169 2.392438 9.110910 10.103147 9.052090 7.977484 9.531559 8.464928 1.770324 0.000000 3.362365 2.979609 5.467557 4.873944 5.469028 4.535595 5.957654 4.162572 6.901035 3.361774 7.884785 2.864785 9.294506 7.938909 4.230347 2.124892 3.251287 4.329405 1.095364 3.857307 5.190043 6.126685 5.246243 5.199086 5.698352 6.613578 6.673101 3.646051 3.705794 5.066122 7.304839 2.768699 9.748810 9.978285 9.447510 7.047455 8.701601 8.425575 4.913140 4.850687 0.000000 2.700677 3.083973 5.518672 3.803979 4.731714 3.594335 4.581834 3.324059 6.083132 2.839975 7.244306 2.850165 8.554854 7.601750 4.146951 2.127753 3.285690 4.339879 1.095337 3.938550 5.232094 6.197988 4.849860 4.072592 4.147114 5.206406 5.380065 3.278450 2.625204 4.289209 6.275587 3.289407 9.130475 9.239172 8.536622 6.851003 8.346239 8.215039 4.455468 5.023482 1.754481 0.000000 4.004235 4.415929 5.187117 5.555224 6.465577 5.328169 6.272335 4.897619 7.836850 4.392875 8.970863 3.526008 10.301180 9.238963 4.561344 2.158125 2.762114 4.175351 1.089035 2.789724 4.065657 4.789832 6.482713 5.754212 5.712795 6.909663 7.024777 4.733075 4.094858 5.752393 8.036588 3.900315 10.841668 10.991022 10.294590 8.422718 9.981895 9.805862 5.089123 5.412667 1.777994 1.771900 0.000000 5.076385 5.994607 4.132344 7.376155 8.201672 6.894406 7.988845 6.919179 9.484939 5.871379 10.646642 4.194471 11.904324 10.990786 4.585701 2.727893 2.161728 3.538925 2.802994 1.087310 2.084882 2.698316 8.278455 7.103498 7.356289 8.466436 8.838530 6.765571 6.115099 7.817933 9.575428 4.695432 12.362799 12.686061 11.815918 10.218736 11.815908 11.457212 5.157105 5.383203 3.463824 3.623360 2.120632 0.000000 5.992205 7.548283 2.377347 9.069856 9.655627 8.183787 9.576670 9.048451 10.698257 7.188489 11.850370 4.966642 12.914243 12.364869 4.336723 4.116948 2.762952 2.835172 5.109251 2.102869 1.084437 2.203926 9.867380 8.056622 9.001451 9.739263 10.580261 8.936257 8.369862 10.061721 10.611264 5.624280 13.209816 13.841861 12.690585 11.747552 13.320973 12.653687 4.694367 4.900822 5.818382 5.811910 4.871427 3.053399 0.000000 7.708747 9.148287 4.910635 10.208711 11.085426 9.638198 10.506528 9.976926 12.199397 8.786214 13.436738 6.871967 14.533496 13.989979 6.579764 5.659324 4.520025 5.147281 6.113941 3.223924 2.144454 1.096289 11.344878 9.545918 9.724086 10.791845 11.407075 10.000547 9.096203 10.861646 12.065875 7.566118 14.972181 15.378836 14.260956 13.328692 14.857444 14.426251 6.852150 7.298552 6.896882 6.730798 5.444247 3.463792 2.561885 0.000000 7.326127 8.378248 5.202507 9.614476 10.518726 9.173860 10.064510 9.145814 11.765726 8.215281 12.962999 6.416555 14.179318 13.359190 6.475038 5.027743 4.115127 5.127132 5.162134 2.656130 2.158502 1.093008 10.643195 9.280315 9.309971 10.510542 10.894337 9.062623 8.253658 9.981741 11.773962 6.943930 14.647844 14.968381 14.022553 12.598202 14.179162 13.829503 6.956543 7.194285 5.783047 5.902581 4.338182 2.386139 3.105119 1.776626 0.000000 7.963324 9.140427 4.765130 10.697938 11.439132 10.041790 11.221264 10.363003 12.628979 8.983579 13.788569 6.873346 14.963210 14.179466 6.580015 5.700929 4.523233 5.092306 6.209436 3.227160 2.144399 1.096267 11.544900 10.075502 10.539241 11.561299 12.127241 10.201378 9.557622 11.277810 12.626392 7.352337 15.325299 15.825594 14.801590 13.445715 15.072339 14.535674 7.094004 7.106172 6.766617 7.044139 5.584703 3.471086 2.560093 1.754490 1.776455 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2877,-.6498,.1963;.8313,-.1083,-1.6975;-4.6026,-2.3677,.5455;2.5482,1.5155,.4275;3.3145,.3199,-.0855;1.8921,.1243,.4474;2.877,2.1073,1.7849;2.0852,2.5519,-.5776;4.4479,-.2949,.6414;.802,-.211,-.483;5.5838,-.7695,.105;-1.4936,-.9814,-.5492;6.654,-1.3765,.9766;5.9187,-.7558,-1.3636;-2.2251,-2.1321,.1274;-2.4676,.1752,-.5302;-3.7059,-.213,-.1174;-3.6581,-1.6509,.2307;-2.0161,1.5215,-.9706;-4.8915,.6354,-.0581;-6.0891,.3082,.4528;-7.2643,1.2336,.4818;3.3648,.2767,-1.1671;1.7885,-.3149,1.4317;2.0168,2.6653,2.1673;3.1422,1.349,2.5227;3.7166,2.8044,1.6952;1.8877,2.1222,-1.5595;1.1728,3.0462,-.2282;2.8594,3.3174,-.6907;4.3323,-.3656,1.7199;-1.2092,-1.2183,-1.5754;6.8529,-2.4131,.679;7.6,-.8338,.8625;6.3781,-1.369,2.0336;5.1457,-.3065,-1.9871;6.8517,-.2051,-1.5314;6.094,-1.7776,-1.7206;-1.8404,-2.2916,1.1385;-2.1679,-3.0772,-.4138;-1.6724,1.4766,-2.0097;-1.156,1.8432,-.3735;-2.7949,2.2781,-.8877;-4.772,1.6339,-.4715;-6.2409,-.6775,.8785;-7.6021,1.3985,1.5117;-7.0335,2.2033,.0334;-8.1146,.7965,-.0546; 0.6711652 0.1004636 0.0944034 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 635 635 635 635 635 MxSgAt= 48 MxSgA2= 48. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 640 RedAO= T EigKep= 1.86D-06 NBF= 640 NBsUse= 638 1.00D-06 EigRej= 6.05D-07 NBFU= 638 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 635 634 634 634 635 MxSgAt= 48 MxSgA2= 48. 1 1.46032348e+00 1.62785779e+00 4.20282111e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.001666707 -0.003090614 0.011622958 0.000469366 0.003043893 -0.015819838 -0.013716851 -0.012029215 0.003316188 0.000341017 0.006704150 0.001371985 0.007511225 -0.002400543 -0.004713188 -0.006275180 -0.005649855 0.002909874 0.000648357 0.000848835 0.004564362 -0.000762489 0.003107474 -0.002847275 -0.002145615 -0.000206881 0.002164295 0.010063376 0.001663648 0.007239710 0.001319098 -0.000702338 -0.000320355 -0.007597918 -0.002477806 -0.005656724 0.002132234 -0.001677879 0.002537863 0.000063560 0.001111288 -0.003760267 0.002533094 -0.005223790 -0.000019822 0.004135947 0.004048583 -0.002807212 -0.005757211 -0.000065298 0.001565002 0.009167954 0.008286606 -0.001390423 -0.000070499 0.003725358 -0.000322971 0.002563286 0.001638449 -0.001522480 -0.002973026 -0.001831151 0.001521459 -0.002153003 0.001910710 0.000185736 -0.001351901 -0.000036501 0.000509798 -0.001179120 0.000021792 -0.001191724 -0.001880563 0.001217189 0.000288581 0.000289827 -0.001341127 0.000370619 0.001798652 0.001288975 -0.000552528 -0.000833165 -0.002344998 -0.001133281 -0.001820495 0.000430087 0.001009875 0.001880960 0.001256387 0.000492593 -0.000313507 0.000258493 0.000515971 0.001996557 0.000948898 0.000767917 0.000233845 -0.002079234 -0.001303926 0.002030903 0.001356406 -0.000501422 -0.000827055 0.000038049 0.001754713 -0.001139202 0.000731602 -0.000425187 0.002053823 0.000807504 0.000242731 0.000278493 -0.002199817 -0.000515761 0.000375518 0.001007645 0.000622232 -0.000858927 -0.000854072 -0.000506033 0.001397210 -0.000713961 -0.001737019 0.002264375 -0.001027061 0.000967512 -0.001520978 0.000620213 0.000321746 0.000286467 0.000820302 -0.000316374 0.001035617 -0.001705959 0.000142974 -0.000801920 -0.000054316 0.002513404 0.000747867 0.001956472 -0.000805526 -0.001973303 -0.001136594 -0.001350766 0.015819838 0.003456621 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -965.646547772658 -965.646548266379 -0.000000493721 -965.646548270933 -0.000000004554 -965.646548272015 -0.000000001082 -965.646548272305 -0.000000000291 -965.646548272309 -0.000000000004 -965.646548272316 -0.000000000007 -965.646548272 7 9.613290935003e+02 -5.749995925073e+03 2.071739179933e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323731410 LenY= 11323292504 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT58314.800S 2025-01-27T13:17:35.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 0.155875 -0.350482 -0.418285 0.302906 0.559764 -0.126007 -0.580824 -0.617075 -0.138757 -0.402751 0.115339 -0.498011 -0.647597 -0.782662 -0.677223 0.844616 0.806800 -0.229870 -0.723105 -0.120629 -0.242490 -0.702446 0.167475 0.192875 0.162334 0.152150 0.158315 0.159963 0.160043 0.161751 0.138494 0.244430 0.156450 0.160473 0.149451 0.150213 0.160944 0.166305 0.235389 0.220343 0.196999 0.195599 0.173975 0.161395 0.168419 0.163511 0.150008 0.165611 -0.00000 -19.17653 -19.12206 -19.12167 -10.31414 -10.27020 -10.24363 -10.20924 -10.19886 -10.19144 -10.18722 -10.18373 -10.17822 -10.17627 -10.17571 -10.17315 -10.16849 -10.16086 -10.15978 -10.15654 -10.15552 -10.15498 -10.15494 -1.11459 -1.05198 -1.03096 -0.88516 -0.87280 -0.80647 -0.80260 -0.76494 -0.74661 -0.73320 -0.70928 -0.68992 -0.68616 -0.67956 -0.67101 -0.63148 -0.58507 -0.57793 -0.55589 -0.55431 -0.53584 -0.52511 -0.50181 -0.49111 -0.48355 -0.47631 -0.46875 -0.45543 -0.44998 -0.44014 -0.43521 -0.42992 -0.42524 -0.42175 -0.42001 -0.41218 -0.40864 -0.40330 -0.39803 -0.39598 -0.38890 -0.38215 -0.37989 -0.37836 -0.37512 -0.36920 -0.36726 -0.36296 -0.36098 -0.35408 -0.35138 -0.32791 -0.31967 -0.31596 -0.31428 -0.29624 -0.28068 -0.26413 -0.23482 -0.22732 -0.06452 -0.01888 -0.01539 0.00533 0.01311 0.01494 0.02040 0.02386 0.02459 0.03226 0.03651 0.04079 0.04340 0.04709 0.04915 0.05359 0.05451 0.05564 0.05828 0.06228 0.06325 0.06739 0.07123 0.07527 0.07987 0.08108 0.08574 0.08625 0.08751 0.09254 0.09435 0.09911 0.10214 0.10337 0.10619 0.11004 0.11607 0.11831 0.12025 0.12355 0.12734 0.13049 0.13352 0.13732 0.13944 0.14170 0.14456 0.14586 0.14926 0.15247 0.15536 0.15730 0.16011 0.16636 0.16759 0.17429 0.17594 0.17807 0.18178 0.18518 0.18705 0.18929 0.19409 0.19520 0.19832 0.20066 0.20188 0.20553 0.21057 0.21358 0.21436 0.21731 0.22027 0.22255 0.22357 0.22500 0.23207 0.23340 0.23373 0.23534 0.23836 0.23910 0.24123 0.24429 0.24708 0.24912 0.25187 0.25481 0.25705 0.25906 0.25972 0.26729 0.26854 0.27045 0.27223 0.27684 0.27945 0.28108 0.28466 0.28758 0.29152 0.29338 0.29622 0.29996 0.30137 0.30398 0.30676 0.31171 0.31773 0.31860 0.31873 0.32510 0.32723 0.32887 0.33099 0.34067 0.34810 0.34858 0.35429 0.36243 0.36655 0.37057 0.37698 0.38029 0.38621 0.39330 0.39894 0.40220 0.40848 0.41012 0.42025 0.42220 0.42657 0.43249 0.43704 0.44253 0.44370 0.45320 0.45978 0.46141 0.46438 0.47335 0.47883 0.48503 0.49047 0.49955 0.50179 0.51311 0.52587 0.52764 0.53953 0.54238 0.54447 0.55243 0.55536 0.56671 0.57374 0.57786 0.58030 0.58995 0.59368 0.59882 0.60560 0.61237 0.61646 0.61989 0.62106 0.62531 0.62843 0.63115 0.63528 0.64115 0.64336 0.64793 0.65172 0.66215 0.66316 0.66618 0.67173 0.67376 0.67609 0.68004 0.68691 0.68965 0.69622 0.69753 0.70323 0.70581 0.70828 0.71202 0.71471 0.72156 0.72511 0.73062 0.73230 0.73798 0.74188 0.74406 0.74560 0.75236 0.75522 0.76149 0.76217 0.76610 0.77119 0.77747 0.78610 0.79547 0.80509 0.80648 0.81579 0.81890 0.82659 0.83868 0.84325 0.85316 0.86806 0.87767 0.88094 0.88634 0.89571 0.90653 0.91672 0.92323 0.93357 0.94344 0.94875 0.95975 0.96830 0.97441 0.98277 0.99657 1.00667 1.01155 1.02554 1.04226 1.05483 1.06511 1.07243 1.08622 1.09159 1.09769 1.10041 1.10953 1.11394 1.12000 1.14554 1.14975 1.16189 1.17130 1.18180 1.18432 1.20625 1.20810 1.23914 1.25024 1.25601 1.25968 1.27880 1.28131 1.31247 1.32277 1.33152 1.35134 1.35985 1.37279 1.37736 1.38687 1.39923 1.40432 1.40657 1.41813 1.42594 1.43695 1.45530 1.45838 1.46452 1.46850 1.46878 1.46991 1.47378 1.47962 1.48459 1.50486 1.50687 1.51794 1.51928 1.52342 1.53042 1.53645 1.54896 1.56230 1.56574 1.56762 1.57146 1.57734 1.58210 1.58649 1.58875 1.59312 1.59848 1.60355 1.61004 1.61998 1.62615 1.63160 1.63921 1.65341 1.65785 1.66426 1.67013 1.67674 1.67940 1.68812 1.69590 1.69657 1.70271 1.70814 1.71629 1.72169 1.73257 1.73639 1.74600 1.75044 1.75990 1.76524 1.77125 1.77975 1.78061 1.78754 1.80038 1.80066 1.80515 1.82096 1.82322 1.84116 1.84434 1.85685 1.86422 1.87700 1.88888 1.89581 1.90373 1.90571 1.92431 1.92902 1.93857 1.95049 1.96697 1.97136 1.98603 2.00692 2.01415 2.02507 2.03225 2.04628 2.04953 2.05241 2.05501 2.06383 2.07121 2.08785 2.09654 2.10234 2.10927 2.11895 2.12743 2.14178 2.14700 2.15031 2.16907 2.17324 2.18094 2.18648 2.18996 2.20198 2.22090 2.24188 2.24815 2.26396 2.28588 2.29445 2.31759 2.32687 2.33388 2.35050 2.35823 2.36432 2.37190 2.39425 2.41074 2.41190 2.42485 2.43079 2.44251 2.45227 2.45479 2.47531 2.47777 2.48364 2.49940 2.50939 2.51334 2.51661 2.52427 2.52755 2.53266 2.54301 2.54493 2.55148 2.55391 2.55931 2.56827 2.57278 2.58162 2.58377 2.58742 2.59789 2.60246 2.61808 2.62608 2.63091 2.64134 2.66064 2.66415 2.66974 2.67962 2.68696 2.69537 2.71100 2.71839 2.73167 2.74140 2.75178 2.75865 2.76992 2.77746 2.79097 2.80450 2.80890 2.82192 2.83646 2.84474 2.85002 2.85827 2.87165 2.87612 2.88546 2.89276 2.90072 2.91645 2.92821 2.93262 2.94021 2.95293 2.96497 2.97390 2.97693 2.98374 3.00153 3.02039 3.04810 3.05546 3.06431 3.07421 3.08062 3.09121 3.10868 3.11460 3.13602 3.15526 3.16296 3.18624 3.19645 3.21667 3.23565 3.24430 3.25135 3.27173 3.29547 3.31519 3.34030 3.34608 3.36391 3.36879 3.45322 3.48285 3.54481 3.58001 3.58109 3.61763 3.65817 3.66430 3.68265 3.70379 3.76003 3.76925 3.79335 3.80309 3.80997 3.81589 3.83143 3.83610 3.84230 3.84656 3.84977 3.85620 3.85891 3.87226 3.92613 3.95523 4.05034 4.10546 4.15477 4.16931 4.22919 4.26451 4.28121 4.31273 4.32242 4.40651 4.51221 4.55902 4.57079 4.59813 5.06265 5.09911 5.13836 5.21631 5.28847 5.38605 5.66172 5.72868 5.90787 23.62944 23.69695 23.80596 23.81191 23.83326 23.86165 23.87926 23.89543 23.92245 23.94186 23.96656 23.97701 23.99657 23.99812 24.00401 24.01916 24.14504 24.24005 24.24923 49.93162 50.01327 50.02350 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 0.123321 -0.341312 -0.422102 0.287402 0.569070 -0.156104 -0.560290 -0.608815 -0.183033 -0.399729 0.145302 -0.453804 -0.643523 -0.776898 -0.673353 0.856034 0.803335 -0.263266 -0.728118 -0.144427 -0.226085 -0.705425 0.168823 0.194011 0.164541 0.153587 0.160591 0.157635 0.159376 0.163544 0.139602 0.244611 0.158335 0.160222 0.150857 0.151788 0.164343 0.163130 0.235746 0.222782 0.201664 0.195645 0.174945 0.163062 0.170104 0.164707 0.151548 0.166626 -0.00000 1.56227143e+00 1.67757922e+00 3.14489216e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.9709 4.2640 0.7994 5.8812 -136.8878 -135.6995 -137.1000 -21.0571 7.8656 2.1631 -0.3254 0.8629 -0.5375 -21.0571 7.8656 2.1631 114.5533 21.9934 12.2702 37.6962 101.9094 -15.9269 3.7755 -3.4314 -13.8529 -9.5012 -12962.1833 -1701.1434 -787.2778 -694.1988 -83.6279 -118.9288 27.4195 15.1427 -10.5846 -2730.1386 -2384.3054 -407.5815 54.6507 40.4891 1.9533 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -965.6465483 7.237E-9 3.128E-6 -0.8537836,1.0072973,-0.1535137,-16.0553435,4.5702579,1.6264346 C01 [X(C19H26O3)] 1.5958457 1.6146116 0.4474074 0.000005011 0.000006330 0.000006717 0.000000578 0.000000321 0.000008676 -0.000000131 -0.000000906 -0.000000951 0.000006168 0.000000004 0.000001810 0.000004701 0.000002647 0.000002299 -0.000010095 -0.000005490 -0.000002826 -0.000001487 -0.000003146 -0.000002683 -0.000002164 -0.000002687 0.000002325 -0.000001939 0.000000739 -0.000001599 0.000006102 0.000004742 -0.000009208 -0.000000385 -0.000001373 -0.000000560 -0.000014686 -0.000003489 -0.000009502 -0.000000033 -0.000000052 -0.000002688 0.000000857 0.000001853 -0.000000040 -0.000000098 0.000000223 0.000000071 0.000007730 0.000000190 -0.000002051 -0.000003210 -0.000012740 0.000002560 0.000001656 0.000007802 -0.000002537 -0.000000064 -0.000001083 0.000000510 -0.000001658 0.000002366 0.000001621 -0.000000016 -0.000000671 -0.000001748 0.000000319 -0.000001952 0.000001033 -0.000001569 0.000002259 0.000000060 0.000001909 -0.000000417 -0.000000316 0.000000730 -0.000002112 0.000002413 -0.000000087 -0.000000283 0.000000841 -0.000000791 -0.000001031 0.000002931 0.000001093 0.000002264 0.000001893 0.000000132 0.000000111 0.000001458 -0.000001171 0.000000952 0.000002629 0.000000835 -0.000000067 -0.000001182 0.000001777 0.000002377 0.000000796 0.000000161 0.000000972 -0.000001413 -0.000000412 -0.000000862 -0.000000569 0.000000693 -0.000001036 -0.000002046 0.000000436 0.000001639 -0.000000346 -0.000000979 0.000001388 -0.000000430 -0.000000073 0.000002807 -0.000001250 -0.000000104 -0.000001808 -0.000003230 -0.000000296 0.000000993 -0.000003014 -0.000000092 0.000001570 0.000002161 -0.000000753 0.000000571 0.000001699 0.000001912 0.000000653 0.000000688 -0.000000281 -0.000001276 0.000002710 0.000000139 -0.000000673 -0.000000810 -0.000000238 -0.000001450 -0.000000134 -0.000000576 -0.000001355 0.000002027 0.000000450 0.000000187 0.000001204 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2297,-.638,.1529;.8978,.0356,-1.693;-4.5776,-2.293,.3712;2.6492,1.4443,.5539;3.3909,.2801,-.0581;1.9654,.0694,.4608;2.9913,1.9154,1.9546;2.2059,2.569,-.361;4.5125,-.4149,.6125;.8678,-.1663,-.491;5.6382,-.866,.0357;-1.4428,-.883,-.6141;6.697,-1.564,.8512;5.9716,-.738,-1.4278;-2.1963,-2.0709,-.0326;-2.3935,.2872,-.4971;-3.6388,-.1091,-.1142;-3.6194,-1.5715,.1139;-1.9156,1.656,-.8262;-4.8071,.7549,.0181;-6.0105,.4105,.5037;-7.1669,1.3534,.6121;3.4391,.3253,-1.1397;1.8542,-.4473,1.4059;2.1429,2.4569,2.3841;3.2422,1.0937,2.6266;3.8445,2.6007,1.9203;1.9987,2.2258,-1.3744;1.304,3.0507,.0305;2.9951,3.3258,-.4128;4.3969,-.5721,1.6818;-1.1644,-1.04,-1.6572;6.8748,-2.5763,.4686;7.6536,-1.0326,.7796;6.4225,-1.6382,1.906;5.207,-.2235,-2.01;6.9152,-.1939,-1.5522;6.126,-1.73,-1.8683;-1.8138,-2.3208,.9608;-2.1587,-2.9689,-.6501;-1.5741,1.6902,-1.8664;-1.0486,1.9103,-.207;-2.6791,2.4186,-.6791;-4.6682,1.7815,-.3119;-6.1815,-.6039,.8471;-7.5001,1.4394,1.653;-6.9173,2.352,.2446;-8.0264,.9789,.0439; Gaussian 16 GINC-GALAPAGAR APULGAR Optimization Allethrin_RR CONF2 water EM64L-G16RevC.01 138 C1[X(C19H26O3)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2297,-.638,.1529;.8978,.0356,-1.693;-4.5776,-2.293,.3712;2.6492,1.4443,.5539;3.3909,.2801,-.0581;1.9654,.0694,.4608;2.9913,1.9154,1.9546;2.2059,2.569,-.361;4.5125,-.4149,.6125;.8678,-.1663,-.491;5.6382,-.866,.0357;-1.4428,-.883,-.6141;6.697,-1.564,.8512;5.9716,-.738,-1.4278;-2.1963,-2.0709,-.0326;-2.3935,.2872,-.4971;-3.6388,-.1091,-.1142;-3.6194,-1.5715,.1139;-1.9156,1.656,-.8262;-4.8071,.7549,.0181;-6.0105,.4105,.5037;-7.1669,1.3534,.6121;3.4391,.3253,-1.1397;1.8542,-.4473,1.4059;2.1429,2.4569,2.3841;3.2422,1.0937,2.6266;3.8445,2.6007,1.9203;1.9987,2.2258,-1.3744;1.304,3.0507,.0305;2.9951,3.3258,-.4128;4.3969,-.5721,1.6818;-1.1644,-1.04,-1.6572;6.8748,-2.5763,.4686;7.6536,-1.0326,.7796;6.4225,-1.6382,1.906;5.207,-.2235,-2.01;6.9152,-.1939,-1.5522;6.126,-1.73,-1.8683;-1.8138,-2.3208,.9608;-2.1587,-2.9689,-.6501;-1.5741,1.6902,-1.8664;-1.0486,1.9103,-.207;-2.6791,2.4186,-.6791;-4.6682,1.7815,-.3119;-6.1815,-.6039,.8471;-7.5001,1.4394,1.653;-6.9173,2.352,.2446;-8.0264,.9789,.0439; Optimization Allethrin_RR CONF2 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 3 4 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 19 19 19 20 20 21 21 22 22 22 10 12 10 18 5 6 7 8 6 9 23 10 24 25 26 27 28 29 30 11 31 13 14 15 16 32 33 34 35 36 37 38 18 39 40 17 19 18 20 41 42 43 21 44 22 45 46 47 48 1.3571 1.456 1.2192 1.2268 1.51 1.5384 1.5168 1.5162 1.5316 1.4801 1.0836 1.4718 1.0828 1.0943 1.0907 1.0949 1.0898 1.0949 1.0946 1.3429 1.0869 1.5078 1.5064 1.5222 1.5122 1.0909 1.0967 1.0966 1.0924 1.09 1.0963 1.0964 1.5152 1.0935 1.0905 1.3618 1.4868 1.4802 1.4591 1.0954 1.0953 1.089 1.3425 1.0873 1.4961 1.0844 1.0963 1.093 1.0963 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 10 5 5 6 6 7 4 4 6 6 9 4 4 5 5 10 4 4 4 25 25 26 4 4 4 28 28 29 5 5 11 1 1 2 9 9 13 1 1 1 15 15 16 11 11 11 33 33 34 11 11 11 36 36 37 12 12 12 18 18 39 12 12 17 16 16 18 3 3 15 16 16 16 41 41 42 17 17 21 20 20 22 21 21 21 46 46 47 1 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 12 7 8 7 8 8 9 23 9 23 23 10 24 10 24 24 25 26 27 26 27 27 28 29 30 29 30 30 11 31 31 2 6 6 13 14 14 15 16 32 16 32 32 33 34 35 34 35 35 36 37 38 37 38 38 18 39 40 39 40 40 17 19 19 18 20 20 15 17 17 41 42 43 42 43 43 21 44 44 22 45 45 46 47 48 47 48 48 118.8426 120.1973 118.1019 115.7024 119.77 113.1251 123.4084 113.2144 119.1586 112.661 115.9874 120.9129 114.7918 119.8023 117.1893 114.2946 109.9591 112.7558 109.9527 108.0153 107.8595 108.1521 112.5251 110.5763 109.3034 108.3292 108.1085 107.8599 126.7498 115.6563 117.5935 123.0378 110.6062 126.3515 120.784 125.0481 114.1679 110.0323 110.659 108.3715 105.2543 112.2903 110.2326 110.6323 110.6665 112.1607 106.4462 108.3556 108.3731 113.8122 110.054 110.1542 107.993 108.1375 106.3938 104.1622 110.6245 114.1601 108.4198 111.0167 108.3064 111.807 119.5534 128.6167 108.5912 125.8333 125.5598 124.0606 127.0904 108.847 109.829 110.0583 112.9178 106.4277 108.9672 108.4207 126.7708 115.4192 117.8094 123.8745 119.7212 116.4041 110.6817 112.0191 110.6786 108.4865 106.299 108.4728 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 12 12 10 10 10 7 7 8 8 7 7 8 8 5 5 5 6 6 6 8 8 8 5 5 5 6 6 6 7 7 7 9 9 23 23 4 4 6 6 23 23 4 4 5 5 24 24 5 5 31 31 9 9 9 14 14 14 9 9 9 13 13 13 1 1 1 16 16 16 32 32 32 1 1 15 15 32 32 12 12 39 39 40 40 12 12 19 19 12 12 12 17 17 17 16 16 20 20 16 16 18 18 17 17 44 44 20 20 20 45 45 45 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 20 20 20 20 21 21 21 21 21 21 10 10 12 12 12 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 17 17 17 17 19 19 19 19 19 19 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 2 6 15 16 32 9 23 9 23 10 24 10 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 10 24 10 24 11 31 11 31 11 31 1 2 1 2 1 2 13 14 13 14 33 34 35 33 34 35 36 37 38 36 37 38 18 39 40 18 39 40 18 39 40 17 19 17 19 17 19 3 17 3 17 3 17 18 20 18 20 41 42 43 41 42 43 3 15 3 15 21 44 21 44 22 45 22 45 46 47 48 46 47 48 -1.6989 177.5736 146.6706 -97.4316 23.5436 -3.2072 -151.8615 142.4717 -6.1826 140.0071 -3.5848 -1.0209 -144.6127 -157.3524 -36.746 84.0302 -88.1978 32.4086 153.1849 55.3868 175.9932 -63.2306 29.8439 151.1317 -90.2748 -40.1956 81.0922 -160.3143 177.8456 -60.8666 57.7268 -135.5323 10.2856 5.425 151.2429 -140.4054 39.8287 147.1735 -32.5923 7.4633 -172.3025 -125.0004 54.2424 165.508 -15.2493 18.7584 -161.9988 -179.7681 0.286 -0.0062 -179.9521 121.1165 -121.1509 0.006 -58.9321 58.8006 179.9574 0.5479 121.9157 -121.0818 -179.4012 -58.0334 58.9691 130.5547 14.2485 -108.2078 11.3014 -105.0048 132.5389 -108.646 135.0478 12.5914 -127.742 53.8521 -8.9073 172.6869 112.3929 -66.013 169.0775 -10.446 -73.0868 107.3897 45.769 -133.7545 2.3289 -176.2898 -179.446 1.9353 59.717 -57.1361 -178.4411 -118.3886 124.7583 3.4533 -174.178 5.3271 4.4454 -176.0495 -173.743 5.9722 7.8664 -172.4184 179.9033 0.0696 0.1941 -179.6396 -120.895 0.3205 121.5161 58.9438 -179.8408 -58.6451 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00063 0.00114 0.00119 0.00143 0.00163 0.00172 0.00213 0.00230 0.00268 0.00297 0.00578 0.00835 0.01349 0.01451 0.01488 0.01795 0.01877 0.01879 0.01927 0.01991 0.02129 0.02369 0.02436 0.02496 0.02787 0.02939 0.02967 0.03451 0.03689 0.03963 0.04356 0.04413 0.04546 0.04613 0.04641 0.05243 0.05396 0.05432 0.05472 0.05551 0.05605 0.05639 0.05743 0.05858 0.06094 0.06254 0.06294 0.06662 0.06680 0.08789 0.09518 0.11191 0.11835 0.11885 0.11992 0.12020 0.12096 0.12136 0.12365 0.12837 0.12923 0.13415 0.13650 0.13925 0.13953 0.14011 0.14077 0.14220 0.14376 0.14514 0.14580 0.14750 0.15383 0.15417 0.15620 0.16533 0.17008 0.17559 0.17770 0.18447 0.18659 0.19577 0.20262 0.20556 0.21065 0.21629 0.22583 0.23363 0.24234 0.25173 0.25372 0.25969 0.27597 0.27914 0.28903 0.29884 0.31589 0.31614 0.31792 0.31866 0.32076 0.32135 0.32314 0.32426 0.32464 0.32813 0.32854 0.32899 0.33165 0.33218 0.33302 0.33358 0.33509 0.33534 0.33646 0.33935 0.34044 0.34110 0.34145 0.34317 0.34370 0.34672 0.34716 0.34752 0.34868 0.35096 0.35202 0.35421 0.35656 0.36456 0.38249 0.41070 0.45178 0.52360 0.59327 0.60500 0.73901 0.78184 Angle between quadratic step and forces= 78.56 degrees. 1 2 0.00080365 0.00000066 0.00000047 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 2.56448 2.75146 2.30398 2.31830 2.85343 2.90708 2.86642 2.86515 2.89422 2.79701 2.04780 2.78136 2.04618 2.06795 2.06115 2.06912 2.05951 2.06907 2.06848 2.53768 2.05400 2.84935 2.84675 2.87645 2.85764 2.06156 2.07239 2.07224 2.06434 2.05989 2.07179 2.07189 2.86330 2.06639 2.06078 2.57337 2.80959 2.79719 2.75724 2.06994 2.06989 2.05798 2.53705 2.05472 2.82721 2.04929 2.07169 2.06549 2.07164 2.07419 2.09784 2.06127 2.01939 2.09038 1.97441 2.15388 1.97596 2.07971 1.96630 2.02436 2.11033 2.00350 2.09095 2.04534 1.99482 1.91915 1.96796 1.91904 1.88522 1.88250 1.88761 1.96393 1.92992 1.90770 1.89070 1.88685 1.88251 2.21220 2.01858 2.05239 2.14742 1.93044 2.20525 2.10808 2.18250 1.99261 1.92043 1.93136 1.89144 1.83703 1.95984 1.92392 1.93090 1.93149 1.95757 1.85784 1.89116 1.89147 1.98640 1.92081 1.92255 1.88483 1.88736 1.85692 1.81797 1.93076 1.99247 1.89228 1.93761 1.89030 1.95140 2.08660 2.24478 1.89527 2.19621 2.19143 2.16527 2.21815 1.89974 1.91688 1.92088 1.97079 1.85751 1.90184 1.89230 2.21257 2.01445 2.05616 2.16202 2.08953 2.03163 1.93176 1.95510 1.93171 1.89345 1.85527 1.89321 -0.02965 3.09924 2.55988 -1.70050 0.41091 -0.05598 -2.65048 2.48660 -0.10791 2.44358 -0.06257 -0.01782 -2.52397 -2.74632 -0.64134 1.46660 -1.53934 0.56564 2.67358 0.96668 3.07166 -1.10358 0.52087 2.63775 -1.57559 -0.70155 1.41533 -2.79801 3.10399 -1.06232 1.00752 -2.36549 0.17952 0.09468 2.63969 -2.45054 0.69514 2.56866 -0.56884 0.13026 -3.00725 -2.18167 0.94671 2.88866 -0.26615 0.32740 -2.82741 -3.13754 0.00499 -0.00011 -3.14076 2.11388 -2.11448 0.00010 -1.02856 1.02626 3.14085 0.00956 2.12783 -2.11328 -3.13114 -1.01287 1.02921 2.27861 0.24868 -1.88858 0.19725 -1.83268 2.31324 -1.89623 2.35703 0.21976 -2.22952 0.93990 -0.15546 3.01396 1.96163 -1.15214 2.95096 -0.18232 -1.27560 1.87430 0.79882 -2.33446 0.04065 -3.07684 -3.13192 0.03378 1.04226 -0.99721 -3.11438 -2.06627 2.17744 0.06027 -3.03998 0.09298 0.07759 -3.07264 -3.03239 0.10423 0.13729 -3.00927 3.13991 0.00122 0.00339 -3.13530 -2.11001 0.00559 2.12086 1.02876 -3.13881 -1.02355 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 -0.00001 -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 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00006 -0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00003 -0.00002 -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00003 -0.00000 -0.00003 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00003 0.00000 -0.00001 -0.00004 0.00000 0.00003 -0.00001 -0.00000 -0.00002 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00003 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00005 -0.00003 0.00002 0.00005 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00006 -0.00004 0.00005 -0.00006 -0.00002 0.00000 -0.00008 0.00007 -0.00000 -0.00003 0.00004 -0.00004 0.00001 0.00003 -0.00002 -0.00002 0.00007 -0.00001 -0.00002 -0.00001 0.00007 -0.00002 -0.00005 -0.00003 0.00001 0.00002 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00019 0.00019 -0.00019 -0.00019 -0.00023 -0.00000 -0.00003 0.00006 0.00003 -0.00004 -0.00006 0.00003 0.00001 0.00008 0.00007 0.00008 0.00010 0.00009 0.00010 0.00002 0.00001 0.00002 -0.00026 -0.00025 -0.00025 -0.00026 -0.00025 -0.00026 -0.00019 -0.00018 -0.00018 0.00002 0.00005 -0.00002 0.00001 -0.00044 -0.00043 -0.00045 -0.00044 -0.00040 -0.00039 0.00009 0.00009 0.00012 0.00012 0.00010 0.00010 0.00002 0.00002 0.00001 0.00001 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00006 -0.00006 -0.00005 -0.00033 -0.00043 -0.00042 -0.00029 -0.00039 -0.00038 -0.00035 -0.00044 -0.00043 0.00012 0.00013 0.00011 0.00011 0.00019 0.00020 0.00049 0.00038 0.00059 0.00048 0.00056 0.00045 0.00013 -0.00007 0.00012 -0.00008 -0.00024 -0.00021 -0.00023 -0.00023 -0.00020 -0.00022 -0.00045 -0.00033 -0.00025 -0.00013 -0.00191 -0.00175 -0.00214 -0.00198 0.00009 0.00002 -0.00007 -0.00014 -0.00012 -0.00011 -0.00011 -0.00005 -0.00004 -0.00004 0.00001 0.00006 -0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00003 -0.00002 -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00003 -0.00000 -0.00003 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00003 0.00000 -0.00001 -0.00004 0.00000 0.00003 -0.00001 -0.00000 -0.00002 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00003 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00005 -0.00003 0.00002 0.00005 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00006 -0.00004 0.00005 -0.00006 -0.00002 0.00000 -0.00008 0.00007 -0.00000 -0.00003 0.00004 -0.00004 0.00001 0.00003 -0.00002 -0.00002 0.00007 -0.00001 -0.00002 -0.00001 0.00007 -0.00002 -0.00005 -0.00003 0.00001 0.00002 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00019 0.00019 -0.00019 -0.00019 -0.00023 -0.00000 -0.00003 0.00006 0.00003 -0.00004 -0.00006 0.00003 0.00001 0.00008 0.00007 0.00008 0.00010 0.00009 0.00010 0.00002 0.00001 0.00002 -0.00026 -0.00025 -0.00025 -0.00026 -0.00025 -0.00026 -0.00019 -0.00018 -0.00018 0.00002 0.00005 -0.00002 0.00001 -0.00044 -0.00043 -0.00045 -0.00044 -0.00040 -0.00039 0.00009 0.00009 0.00012 0.00012 0.00010 0.00010 0.00002 0.00002 0.00001 0.00001 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00006 -0.00006 -0.00005 -0.00033 -0.00043 -0.00042 -0.00029 -0.00039 -0.00038 -0.00035 -0.00044 -0.00043 0.00012 0.00013 0.00011 0.00011 0.00019 0.00020 0.00049 0.00038 0.00059 0.00048 0.00056 0.00045 0.00013 -0.00007 0.00012 -0.00008 -0.00024 -0.00021 -0.00023 -0.00023 -0.00020 -0.00022 -0.00045 -0.00033 -0.00025 -0.00013 -0.00191 -0.00175 -0.00214 -0.00198 0.00009 0.00002 -0.00007 -0.00014 -0.00012 -0.00011 -0.00011 -0.00005 -0.00004 -0.00004 2.56449 2.75152 2.30397 2.31831 2.85340 2.90709 2.86641 2.86515 2.89425 2.79699 2.04780 2.78134 2.04617 2.06795 2.06115 2.06912 2.05951 2.06906 2.06847 2.53768 2.05400 2.84934 2.84675 2.87643 2.85761 2.06155 2.07239 2.07224 2.06433 2.05989 2.07179 2.07188 2.86330 2.06638 2.06078 2.57340 2.80959 2.79716 2.75724 2.06993 2.06989 2.05797 2.53706 2.05471 2.82721 2.04928 2.07168 2.06548 2.07164 2.07420 2.09787 2.06127 2.01938 2.09034 1.97441 2.15391 1.97596 2.07971 1.96629 2.02436 2.11032 2.00348 2.09094 2.04532 1.99485 1.91915 1.96797 1.91905 1.88521 1.88249 1.88760 1.96394 1.92992 1.90771 1.89070 1.88684 1.88250 2.21219 2.01859 2.05239 2.14742 1.93043 2.20525 2.10808 2.18249 1.99261 1.92042 1.93132 1.89141 1.83706 1.95989 1.92393 1.93090 1.93150 1.95758 1.85783 1.89116 1.89146 1.98639 1.92081 1.92255 1.88484 1.88735 1.85692 1.81799 1.93082 1.99243 1.89233 1.93755 1.89029 1.95140 2.08653 2.24486 1.89527 2.19618 2.19147 2.16523 2.21816 1.89977 1.91686 1.92086 1.97086 1.85751 1.90182 1.89229 2.21264 2.01443 2.05611 2.16199 2.08953 2.03166 1.93177 1.95511 1.93171 1.89344 1.85526 1.89320 -0.02946 3.09944 2.55969 -1.70069 0.41068 -0.05598 -2.65052 2.48666 -0.10788 2.44355 -0.06263 -0.01779 -2.52396 -2.74624 -0.64127 1.46668 -1.53924 0.56573 2.67368 0.96670 3.07167 -1.10356 0.52062 2.63750 -1.57584 -0.70180 1.41507 -2.79827 3.10380 -1.06250 1.00734 -2.36547 0.17957 0.09466 2.63970 -2.45097 0.69472 2.56821 -0.56928 0.12986 -3.00764 -2.18158 0.94680 2.88878 -0.26603 0.32750 -2.82731 -3.13753 0.00501 -0.00010 -3.14075 2.11382 -2.11454 0.00005 -1.02862 1.02620 3.14079 0.00950 2.12778 -2.11333 -3.13120 -1.01293 1.02916 2.27828 0.24825 -1.88900 0.19696 -1.83307 2.31286 -1.89658 2.35659 0.21933 -2.22940 0.94003 -0.15535 3.01407 1.96182 -1.15195 2.95145 -0.18194 -1.27502 1.87478 0.79938 -2.33400 0.04078 -3.07690 -3.13180 0.03370 1.04202 -0.99742 -3.11461 -2.06650 2.17725 0.06005 -3.04042 0.09265 0.07734 -3.07277 -3.03429 0.10248 0.13516 -3.01125 3.13999 0.00123 0.00332 -3.13545 -2.11013 0.00548 2.12074 1.02872 -3.13886 -1.02360 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000001 0.005000 0.000804 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.066759e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 640 A 640 1000 662 82 82 1751.3128160608 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0473110076 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 2.265436 0.000000 4.657380 6.297900 0.000000 3.575603 3.178149 8.138068 0.000000 3.741148 2.991407 8.384664 1.509969 0.000000 2.326764 2.404178 6.957045 1.538361 1.531556 0.000000 4.487833 4.606658 8.803741 1.516846 2.623903 2.586774 0.000000 4.059696 3.147010 8.378039 1.516170 2.595294 2.642253 2.531015 0.000000 4.769700 4.311040 9.285299 2.632842 1.480114 2.597186 3.089610 3.895180 0.000000 1.357064 1.219213 5.909249 2.619016 2.598588 1.471831 3.850121 3.047852 3.816231 0.000000 5.873492 5.125705 10.320449 3.813120 2.524392 3.813783 4.292405 4.872157 1.342885 4.850094 0.000000 1.456008 2.736116 3.575740 4.850312 5.002699 3.698484 5.838707 5.029290 6.098388 2.422384 7.110792 0.000000 7.023179 6.531731 11.308398 5.052012 3.893316 5.020813 5.201572 6.222722 2.479806 6.142882 1.507809 8.298707 0.000000 6.400367 5.139302 10.813922 4.441545 3.093930 4.502016 5.230976 5.123955 2.529057 5.220431 1.506437 7.460360 2.530362 0.000000 2.440340 4.094838 2.425486 6.014978 6.061762 4.705802 6.837455 6.404392 6.940294 3.636842 7.926922 1.522151 8.951551 8.392760 0.000000 2.441369 3.510856 3.490201 5.279461 5.801056 4.468248 6.136571 5.136129 7.029765 3.292704 8.131525 1.512196 9.374574 8.478920 2.411410 0.000000 3.460211 4.805643 2.426167 6.511463 7.040723 5.636500 7.234418 6.433816 8.189411 4.522726 9.309039 2.381407 10.482304 9.720136 2.436363 1.361768 0.000000 3.516065 5.123706 1.226793 6.970210 7.252708 5.831183 7.697205 7.162621 8.228863 4.740816 9.284711 2.396108 10.342705 9.749777 1.515194 2.308828 1.480207 0.000000 3.010533 3.360391 4.910684 4.773634 5.535579 4.385933 5.646040 4.246976 6.905074 3.343762 8.010220 2.591349 9.346676 8.264453 3.820773 1.486770 2.567504 3.768759 0.000000 4.786526 5.999263 3.076781 7.507316 8.212131 6.821531 8.118609 7.253779 9.411583 5.771718 10.570339 3.794819 11.765069 10.977249 3.847522 2.511911 1.459070 2.613787 3.144176 0.000000 5.885544 7.258785 3.062539 8.721364 9.419071 7.983315 9.241305 8.539078 10.555911 6.973745 11.727742 4.877071 12.864693 12.190969 4.581731 3.754890 2.505303 3.130104 4.481961 1.342549 0.000000 7.231986 8.490569 4.478690 9.816770 10.633412 9.223427 10.261932 9.501285 11.812587 8.251285 13.008817 6.266611 14.169620 13.459424 6.070271 5.015255 3.887694 4.624785 5.453139 2.505956 1.496097 0.000000 4.007309 2.616906 8.567716 2.178130 1.083649 2.190623 3.507643 2.676094 2.184177 2.696990 2.763515 5.056595 4.260034 2.761750 6.222946 5.867986 7.164965 7.415576 5.526451 8.338144 9.591759 10.798751 0.000000 2.439087 3.278881 6.770951 2.221697 2.243570 1.082790 2.678873 3.513386 2.774367 2.156407 4.046121 3.891108 5.000743 5.006686 4.594817 4.712085 5.709516 5.735243 4.859828 6.909745 7.962623 9.233305 3.096547 0.000000 4.492904 4.902668 8.472241 2.152103 3.501528 3.070974 1.094310 2.748141 4.123256 4.095549 5.364178 5.744730 6.265615 6.276705 6.720914 5.795511 6.801070 7.388207 5.236346 7.536432 8.614045 9.540998 4.317556 3.078134 0.000000 4.601295 5.027390 8.815073 2.184119 2.809202 2.714735 1.090716 3.489425 2.818920 4.116371 4.036642 6.029813 4.706556 5.219481 6.831062 6.493710 7.503776 7.777997 6.232226 8.468162 9.517612 10.605403 3.848926 2.406513 1.767896 0.000000 5.496590 5.321601 9.863104 2.152488 3.083083 3.474019 1.094931 2.809036 3.354197 4.725649 4.334472 6.820254 5.159930 5.184713 7.882258 7.078793 8.214811 8.739573 6.450993 9.048575 10.194383 11.158827 3.834819 3.676475 1.769554 1.769930 0.000000 3.936947 2.471932 8.167897 2.180038 2.730773 2.831862 3.487682 1.089848 4.152228 2.789523 4.979369 4.699649 6.433599 4.956912 6.153050 4.880500 6.230671 6.942409 3.993345 7.100825 8.424326 9.418899 2.396199 3.859596 3.768412 4.340041 3.795158 0.000000 3.996717 3.496670 7.953907 2.159734 3.469863 3.084013 2.799626 1.094902 4.758616 3.288101 5.841810 4.840947 7.145266 6.186102 6.203797 4.646180 5.868288 6.753609 3.611791 6.528147 7.790772 8.658825 3.654611 3.798767 2.568211 3.784947 3.198163 1.771184 0.000000 5.141049 4.106425 9.462076 2.143389 3.091734 3.525239 2.755640 1.094590 4.164917 4.089718 4.975777 6.119574 6.261967 5.138451 7.497933 6.186837 7.476371 8.246902 5.203259 8.226157 9.509946 10.402264 3.119015 4.341091 3.050213 3.778987 2.586639 1.768464 1.769762 0.000000 4.873102 4.899210 9.231498 2.896911 2.182950 2.795382 2.870163 4.340544 1.086931 4.164119 2.082532 6.282507 2.639023 3.489533 6.975378 7.182953 8.246953 8.229019 7.148578 9.446799 10.519806 11.771715 3.111853 2.560611 3.840414 2.236304 3.229382 4.787510 5.041601 4.641733 0.000000 2.076378 2.326071 4.163501 5.060029 5.005008 3.938547 6.248857 5.105252 6.145690 2.500598 7.012178 1.090930 8.268513 7.146035 2.183294 2.148930 3.061049 3.073472 2.919452 4.392902 5.500702 6.848992 4.829418 4.341108 6.284761 6.505421 7.151371 4.555227 5.067049 6.157033 6.503438 0.000000 7.370920 6.871619 11.456331 5.833285 4.535783 5.576860 6.120856 6.997228 3.205057 6.543119 2.154409 8.556999 1.096661 2.791329 9.099009 9.748480 10.814912 10.548092 9.841748 12.155911 13.226935 14.581933 4.775985 5.533258 7.168899 5.596591 6.171816 7.087549 7.930274 7.117790 3.410064 8.456178 0.000000 7.918013 7.272975 12.302763 5.588332 4.538203 5.802694 5.639905 6.629531 3.205564 6.957851 2.154779 9.203794 1.096584 2.790829 9.937747 10.213511 11.365310 11.305430 10.068632 12.611276 13.742833 15.012297 4.825987 5.862367 6.717080 5.233869 5.386228 6.872820 7.586359 6.489929 3.410598 9.148459 1.756730 0.000000 6.951665 6.802719 11.125951 5.056414 4.089965 4.986968 4.940034 6.373402 2.611024 6.226274 2.170124 8.293645 1.092399 3.482517 8.844751 9.338278 10.375419 10.200711 9.372358 11.635937 12.678422 13.974849 4.693890 4.747363 5.942555 4.254114 4.961344 6.727720 7.190487 6.462593 2.300006 8.403225 1.774973 1.775106 0.000000 5.865807 4.328646 10.280685 3.987109 2.713236 4.086387 5.020151 4.418598 2.719641 4.597734 2.187125 6.826713 3.493402 1.090049 7.882423 7.766441 9.047420 9.177861 7.460944 10.264177 11.513151 12.746632 2.045526 4.791585 5.990112 5.205127 5.027896 4.086124 5.487989 4.476676 3.795657 6.433177 3.802698 3.797683 4.337471 0.000000 7.358991 6.023492 11.840272 5.031686 3.857178 5.349972 5.669556 5.588442 3.241565 6.139884 2.145691 8.438744 2.775140 1.096344 9.426198 9.380697 10.651909 10.754145 9.051699 11.865068 13.102145 14.331295 3.538861 5.867551 6.730268 5.710651 5.412708 5.482630 6.672259 5.390146 4.116288 8.124474 3.124267 2.585738 3.779928 1.768754 0.000000 6.758183 5.521124 10.949921 5.294454 3.846834 5.096404 6.142488 6.010112 3.238418 5.656048 2.146994 7.718689 2.783803 1.096395 8.529226 8.861814 10.052677 9.946199 8.787449 11.369562 12.550011 13.869493 3.460491 5.532974 7.174887 6.041050 6.189861 5.738264 7.050792 6.122275 4.115079 7.326022 2.595746 3.135502 3.787018 1.770416 1.755724 0.000000 2.448271 4.466332 2.826137 5.853212 5.906924 4.499512 6.482419 6.466498 6.616387 3.733736 7.648822 2.164542 8.545131 8.295995 1.093488 3.043484 3.062316 2.130395 4.361055 4.394088 5.027983 6.502085 6.245536 4.142768 6.364583 6.324284 7.560341 6.376513 6.280066 7.542923 6.492320 2.985964 8.706280 9.556353 8.318409 7.906738 9.329278 8.449499 0.000000 3.130345 4.410999 2.711361 6.636421 6.457888 5.241544 7.560626 7.057070 7.254127 4.127928 8.104521 2.205663 9.091264 8.466598 1.090516 3.268166 3.264459 2.161072 4.634705 4.618178 5.252440 6.734898 6.513551 5.166129 7.559764 7.510712 8.582927 6.692806 6.977809 8.138842 7.359169 2.392438 9.110910 10.103147 9.052090 7.977484 9.531559 8.464928 1.770324 0.000000 3.362365 2.979609 5.467557 4.873944 5.469028 4.535595 5.957654 4.162572 6.901035 3.361774 7.884785 2.864785 9.294506 7.938909 4.230347 2.124892 3.251287 4.329405 1.095364 3.857307 5.190043 6.126685 5.246243 5.199086 5.698352 6.613578 6.673101 3.646051 3.705794 5.066122 7.304839 2.768699 9.748810 9.978285 9.447510 7.047455 8.701601 8.425575 4.913140 4.850687 0.000000 2.700677 3.083973 5.518672 3.803979 4.731714 3.594335 4.581834 3.324059 6.083132 2.839975 7.244306 2.850165 8.554854 7.601750 4.146951 2.127753 3.285690 4.339879 1.095337 3.938550 5.232094 6.197988 4.849860 4.072592 4.147114 5.206406 5.380065 3.278450 2.625204 4.289209 6.275587 3.289407 9.130475 9.239172 8.536622 6.851003 8.346239 8.215039 4.455468 5.023482 1.754481 0.000000 4.004235 4.415929 5.187117 5.555224 6.465577 5.328169 6.272335 4.897619 7.836850 4.392875 8.970863 3.526008 10.301180 9.238963 4.561344 2.158125 2.762114 4.175351 1.089035 2.789724 4.065657 4.789832 6.482713 5.754212 5.712795 6.909663 7.024777 4.733075 4.094858 5.752393 8.036588 3.900315 10.841668 10.991022 10.294590 8.422718 9.981895 9.805862 5.089123 5.412667 1.777994 1.771900 0.000000 5.076385 5.994607 4.132344 7.376155 8.201672 6.894406 7.988845 6.919179 9.484939 5.871379 10.646642 4.194471 11.904324 10.990786 4.585701 2.727893 2.161728 3.538925 2.802994 1.087310 2.084882 2.698316 8.278455 7.103498 7.356289 8.466436 8.838530 6.765571 6.115099 7.817933 9.575428 4.695432 12.362799 12.686061 11.815918 10.218736 11.815908 11.457212 5.157105 5.383203 3.463824 3.623360 2.120632 0.000000 5.992205 7.548283 2.377347 9.069856 9.655627 8.183787 9.576670 9.048451 10.698257 7.188489 11.850370 4.966642 12.914243 12.364869 4.336723 4.116948 2.762952 2.835172 5.109251 2.102869 1.084437 2.203926 9.867380 8.056622 9.001451 9.739263 10.580261 8.936257 8.369862 10.061721 10.611264 5.624280 13.209816 13.841861 12.690585 11.747552 13.320973 12.653687 4.694367 4.900822 5.818382 5.811910 4.871427 3.053399 0.000000 7.708747 9.148287 4.910635 10.208711 11.085426 9.638198 10.506528 9.976926 12.199397 8.786214 13.436738 6.871967 14.533496 13.989979 6.579764 5.659324 4.520025 5.147281 6.113941 3.223924 2.144454 1.096289 11.344878 9.545918 9.724086 10.791845 11.407075 10.000547 9.096203 10.861646 12.065875 7.566118 14.972181 15.378836 14.260956 13.328692 14.857444 14.426251 6.852150 7.298552 6.896882 6.730798 5.444247 3.463792 2.561885 0.000000 7.326127 8.378248 5.202507 9.614476 10.518726 9.173860 10.064510 9.145814 11.765726 8.215281 12.962999 6.416555 14.179318 13.359190 6.475038 5.027743 4.115127 5.127132 5.162134 2.656130 2.158502 1.093008 10.643195 9.280315 9.309971 10.510542 10.894337 9.062623 8.253658 9.981741 11.773962 6.943930 14.647844 14.968381 14.022553 12.598202 14.179162 13.829503 6.956543 7.194285 5.783047 5.902581 4.338182 2.386139 3.105119 1.776626 0.000000 7.963324 9.140427 4.765130 10.697938 11.439132 10.041790 11.221264 10.363003 12.628979 8.983579 13.788569 6.873346 14.963210 14.179466 6.580015 5.700929 4.523233 5.092306 6.209436 3.227160 2.144399 1.096267 11.544900 10.075502 10.539241 11.561299 12.127241 10.201378 9.557622 11.277810 12.626392 7.352337 15.325299 15.825594 14.801590 13.445715 15.072339 14.535674 7.094004 7.106172 6.766617 7.044139 5.584703 3.471086 2.560093 1.754490 1.776455 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2877,-.6498,.1963;.8313,-.1083,-1.6975;-4.6026,-2.3677,.5455;2.5482,1.5155,.4275;3.3145,.3199,-.0855;1.8921,.1243,.4474;2.877,2.1073,1.7849;2.0852,2.5519,-.5776;4.4479,-.2949,.6414;.802,-.211,-.483;5.5838,-.7695,.105;-1.4936,-.9814,-.5492;6.654,-1.3765,.9766;5.9187,-.7558,-1.3636;-2.2251,-2.1321,.1274;-2.4676,.1752,-.5302;-3.7059,-.213,-.1174;-3.6581,-1.6509,.2307;-2.0161,1.5215,-.9706;-4.8915,.6354,-.0581;-6.0891,.3082,.4528;-7.2643,1.2336,.4818;3.3648,.2767,-1.1671;1.7885,-.3149,1.4317;2.0168,2.6653,2.1673;3.1422,1.349,2.5227;3.7166,2.8044,1.6952;1.8877,2.1222,-1.5595;1.1728,3.0462,-.2282;2.8594,3.3174,-.6907;4.3323,-.3656,1.7199;-1.2092,-1.2183,-1.5754;6.8529,-2.4131,.679;7.6,-.8338,.8625;6.3781,-1.369,2.0336;5.1457,-.3065,-1.9871;6.8517,-.2051,-1.5314;6.094,-1.7776,-1.7206;-1.8404,-2.2916,1.1385;-2.1679,-3.0772,-.4138;-1.6724,1.4766,-2.0097;-1.156,1.8432,-.3735;-2.7949,2.2781,-.8877;-4.772,1.6339,-.4715;-6.2409,-.6775,.8785;-7.6021,1.3985,1.5117;-7.0335,2.2033,.0334;-8.1146,.7965,-.0546; 0.6711652 0.1004636 0.0944034 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 640 RedAO= T EigKep= 1.86D-06 NBF= 640 NBsUse= 638 1.00D-06 EigRej= 6.05D-07 NBFU= 638 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 635 634 634 634 635 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.646548272262 -965.646548272 1 9.613290942281e+02 -5.749995925423e+03 2.071739179555e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323731410 LenY= 11323292504 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 48. Will process 49 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) 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. 15012 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 720000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 4.56D-14 1.00D-09 XBig12= 3.50D+02 9.94D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 4.56D-14 1.00D-09 XBig12= 4.59D+01 1.30D+00. 144 vectors produced by pass 2 Test12= 4.56D-14 1.00D-09 XBig12= 4.59D-01 6.32D-02. 144 vectors produced by pass 3 Test12= 4.56D-14 1.00D-09 XBig12= 1.63D-03 3.78D-03. 144 vectors produced by pass 4 Test12= 4.56D-14 1.00D-09 XBig12= 4.07D-06 1.32D-04. 113 vectors produced by pass 5 Test12= 4.56D-14 1.00D-09 XBig12= 6.50D-09 6.83D-06. 37 vectors produced by pass 6 Test12= 4.56D-14 1.00D-09 XBig12= 8.26D-12 2.79D-07. 3 vectors produced by pass 7 Test12= 4.56D-14 1.00D-09 XBig12= 9.72D-15 8.78D-09. InvSVY: IOpt=1 It= 1 EMax= 4.26D-14 Solved reduced A of dimension 873 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 357.53 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 464.167 3.431 319.729 -43.788 -10.258 288.689 446.719 14.299 315.588 -50.588 -11.504 296.854 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT46641.500S 2025-01-27T14:55:47.000 -19.17653 -19.12206 -19.12167 -10.31414 -10.27020 -10.24363 -10.20924 -10.19886 -10.19144 -10.18722 -10.18373 -10.17822 -10.17627 -10.17571 -10.17315 -10.16849 -10.16086 -10.15978 -10.15654 -10.15552 -10.15498 -10.15494 -1.11459 -1.05198 -1.03096 -0.88516 -0.87280 -0.80647 -0.80260 -0.76494 -0.74661 -0.73320 -0.70928 -0.68992 -0.68616 -0.67956 -0.67101 -0.63148 -0.58507 -0.57793 -0.55589 -0.55431 -0.53584 -0.52511 -0.50181 -0.49111 -0.48355 -0.47631 -0.46875 -0.45543 -0.44998 -0.44014 -0.43521 -0.42992 -0.42524 -0.42175 -0.42001 -0.41218 -0.40864 -0.40330 -0.39803 -0.39598 -0.38890 -0.38215 -0.37989 -0.37836 -0.37512 -0.36920 -0.36726 -0.36296 -0.36098 -0.35408 -0.35138 -0.32791 -0.31967 -0.31596 -0.31428 -0.29624 -0.28068 -0.26413 -0.23482 -0.22732 -0.06452 -0.01888 -0.01539 0.00533 0.01311 0.01494 0.02040 0.02386 0.02459 0.03226 0.03651 0.04079 0.04340 0.04709 0.04915 0.05359 0.05451 0.05564 0.05828 0.06228 0.06325 0.06739 0.07123 0.07527 0.07987 0.08108 0.08574 0.08625 0.08751 0.09254 0.09435 0.09911 0.10214 0.10337 0.10619 0.11004 0.11607 0.11831 0.12025 0.12355 0.12734 0.13049 0.13352 0.13732 0.13944 0.14170 0.14456 0.14586 0.14926 0.15247 0.15536 0.15730 0.16011 0.16636 0.16759 0.17429 0.17594 0.17807 0.18178 0.18518 0.18705 0.18929 0.19409 0.19520 0.19832 0.20066 0.20188 0.20553 0.21057 0.21358 0.21436 0.21731 0.22027 0.22255 0.22357 0.22500 0.23207 0.23340 0.23373 0.23534 0.23836 0.23910 0.24123 0.24429 0.24708 0.24912 0.25187 0.25481 0.25705 0.25906 0.25972 0.26729 0.26854 0.27045 0.27223 0.27684 0.27945 0.28108 0.28466 0.28758 0.29152 0.29338 0.29622 0.29996 0.30137 0.30398 0.30676 0.31171 0.31773 0.31860 0.31873 0.32510 0.32723 0.32887 0.33099 0.34067 0.34810 0.34858 0.35429 0.36243 0.36655 0.37057 0.37698 0.38029 0.38621 0.39330 0.39894 0.40220 0.40848 0.41012 0.42025 0.42220 0.42657 0.43249 0.43704 0.44253 0.44370 0.45320 0.45978 0.46141 0.46438 0.47335 0.47883 0.48503 0.49047 0.49955 0.50179 0.51311 0.52587 0.52764 0.53953 0.54238 0.54447 0.55243 0.55536 0.56671 0.57374 0.57786 0.58030 0.58995 0.59368 0.59882 0.60560 0.61237 0.61646 0.61989 0.62106 0.62531 0.62843 0.63115 0.63528 0.64115 0.64336 0.64793 0.65172 0.66215 0.66316 0.66618 0.67173 0.67376 0.67609 0.68004 0.68691 0.68965 0.69622 0.69753 0.70323 0.70581 0.70828 0.71202 0.71471 0.72156 0.72511 0.73062 0.73230 0.73798 0.74188 0.74406 0.74560 0.75236 0.75522 0.76149 0.76217 0.76610 0.77119 0.77747 0.78610 0.79547 0.80509 0.80648 0.81579 0.81890 0.82659 0.83868 0.84325 0.85316 0.86806 0.87767 0.88094 0.88634 0.89571 0.90653 0.91672 0.92323 0.93357 0.94344 0.94875 0.95975 0.96830 0.97441 0.98277 0.99657 1.00667 1.01155 1.02554 1.04226 1.05483 1.06511 1.07243 1.08622 1.09159 1.09769 1.10041 1.10953 1.11394 1.12000 1.14554 1.14975 1.16189 1.17130 1.18180 1.18432 1.20625 1.20810 1.23914 1.25024 1.25601 1.25968 1.27880 1.28131 1.31247 1.32277 1.33152 1.35134 1.35985 1.37279 1.37736 1.38687 1.39923 1.40432 1.40657 1.41813 1.42594 1.43695 1.45530 1.45838 1.46452 1.46850 1.46878 1.46991 1.47378 1.47962 1.48459 1.50486 1.50687 1.51794 1.51928 1.52342 1.53042 1.53645 1.54896 1.56230 1.56574 1.56762 1.57146 1.57734 1.58210 1.58649 1.58875 1.59312 1.59848 1.60355 1.61004 1.61998 1.62615 1.63160 1.63921 1.65341 1.65785 1.66426 1.67013 1.67674 1.67940 1.68812 1.69590 1.69657 1.70271 1.70814 1.71629 1.72169 1.73257 1.73639 1.74600 1.75044 1.75990 1.76524 1.77125 1.77975 1.78061 1.78754 1.80038 1.80066 1.80515 1.82096 1.82322 1.84116 1.84434 1.85685 1.86422 1.87700 1.88888 1.89581 1.90373 1.90571 1.92431 1.92902 1.93857 1.95049 1.96697 1.97136 1.98603 2.00692 2.01415 2.02507 2.03225 2.04628 2.04953 2.05241 2.05501 2.06383 2.07121 2.08785 2.09654 2.10234 2.10927 2.11895 2.12743 2.14178 2.14700 2.15031 2.16907 2.17324 2.18094 2.18648 2.18996 2.20198 2.22090 2.24188 2.24815 2.26396 2.28588 2.29445 2.31759 2.32687 2.33388 2.35050 2.35823 2.36432 2.37190 2.39425 2.41074 2.41190 2.42485 2.43079 2.44251 2.45227 2.45479 2.47531 2.47777 2.48364 2.49940 2.50939 2.51334 2.51661 2.52427 2.52755 2.53266 2.54301 2.54493 2.55148 2.55391 2.55931 2.56827 2.57278 2.58162 2.58377 2.58742 2.59789 2.60246 2.61808 2.62608 2.63091 2.64134 2.66064 2.66415 2.66974 2.67962 2.68696 2.69537 2.71100 2.71839 2.73167 2.74140 2.75178 2.75865 2.76992 2.77746 2.79097 2.80450 2.80890 2.82192 2.83646 2.84474 2.85002 2.85827 2.87165 2.87612 2.88546 2.89276 2.90072 2.91645 2.92821 2.93262 2.94021 2.95293 2.96497 2.97390 2.97693 2.98374 3.00153 3.02039 3.04810 3.05546 3.06431 3.07421 3.08062 3.09121 3.10868 3.11460 3.13602 3.15526 3.16296 3.18624 3.19645 3.21667 3.23565 3.24430 3.25135 3.27173 3.29547 3.31519 3.34030 3.34608 3.36391 3.36879 3.45322 3.48285 3.54481 3.58001 3.58109 3.61763 3.65817 3.66430 3.68265 3.70379 3.76003 3.76925 3.79335 3.80309 3.80997 3.81589 3.83143 3.83610 3.84230 3.84656 3.84977 3.85620 3.85891 3.87226 3.92613 3.95523 4.05034 4.10546 4.15477 4.16931 4.22919 4.26451 4.28121 4.31273 4.32242 4.40651 4.51221 4.55902 4.57079 4.59813 5.06265 5.09911 5.13836 5.21631 5.28847 5.38604 5.66172 5.72868 5.90787 23.62944 23.69695 23.80596 23.81191 23.83326 23.86165 23.87926 23.89543 23.92245 23.94186 23.96656 23.97701 23.99657 23.99812 24.00401 24.01916 24.14504 24.24005 24.24923 49.93162 50.01327 50.02350 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 0.123320 -0.341312 -0.422102 0.287402 0.569070 -0.156104 -0.560290 -0.608815 -0.183033 -0.399729 0.145302 -0.453804 -0.643523 -0.776898 -0.673353 0.856034 0.803335 -0.263266 -0.728118 -0.144427 -0.226085 -0.705425 0.168823 0.194011 0.164541 0.153587 0.160591 0.157635 0.159376 0.163544 0.139601 0.244611 0.158335 0.160222 0.150857 0.151788 0.164343 0.163130 0.235746 0.222782 0.201664 0.195645 0.174945 0.163062 0.170104 0.164707 0.151548 0.166626 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 O O O C C C C C C C C C C C C C C C C C C C 0.123320 -0.341312 -0.422102 0.287402 0.737893 0.037907 -0.081572 -0.128261 -0.043431 -0.399729 0.145302 -0.209193 -0.174108 -0.297638 -0.214826 0.856034 0.803335 -0.263266 -0.155864 0.018635 -0.055981 -0.222544 0.00000 1.56227103e+00 1.67757956e+00 3.14489380e-01 4.64166812e+02 3.43122624e+00 3.19728837e+02 -4.37878774e+01 -1.02580123e+01 2.88688516e+02 -10.6482 -4.6725 -3.0630 -0.0011 -0.0005 0.0005 13.0996 16.4308 30.9298 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 12.9073 16.2859 30.2887 37.0366 42.6552 63.7468 81.8864 85.1882 99.4406 128.9755 136.8313 139.4999 142.6008 158.4125 166.4712 181.2722 191.4207 198.2519 212.7446 229.2192 247.2077 280.9049 291.1181 307.1381 310.8736 335.0659 349.9866 355.2213 369.8293 397.5226 429.2001 439.2938 459.4889 478.2405 510.0166 526.8094 551.4207 572.2935 611.6706 629.6347 656.1061 708.5982 730.8750 755.9971 782.7067 828.4566 832.9674 838.4772 862.6640 878.4604 926.1014 932.0732 950.9280 965.1172 973.1918 977.0845 985.9404 998.1700 1003.7019 1010.6540 1029.6842 1035.3764 1046.1417 1061.6509 1063.4542 1072.7477 1085.1581 1095.7398 1097.8213 1106.1736 1126.4971 1134.9299 1157.4563 1168.4282 1187.4502 1208.0743 1215.0112 1258.9091 1273.9052 1311.1303 1314.2346 1321.0838 1345.7303 1356.5185 1358.7459 1367.1253 1391.4848 1400.1512 1404.4604 1405.8823 1409.0789 1410.2708 1416.2474 1428.9202 1448.6142 1451.1266 1455.6352 1455.8230 1466.7024 1470.2412 1471.1386 1472.5881 1475.7290 1478.6426 1479.3842 1487.3882 1495.9612 1624.9452 1679.9195 1685.6699 1701.3360 1713.6106 3003.2367 3008.3192 3011.1182 3019.5567 3023.3576 3026.3357 3045.8157 3050.2697 3051.7025 3063.7479 3071.9424 3073.7609 3077.0211 3088.9293 3090.9456 3094.1128 3109.6500 3114.6406 3117.8014 3121.9338 3130.5428 3138.2801 3138.5597 3164.2110 3175.0988 3178.4388 4.0130 4.2131 3.0619 3.7171 2.6201 3.9162 3.2524 2.6503 2.9157 1.1413 1.5047 3.3441 2.3090 2.7789 1.9738 1.6340 1.3628 1.2568 2.0493 1.9589 1.3441 2.9412 4.3846 3.1020 3.1040 4.4576 3.7290 2.9863 3.3266 2.5290 4.0144 2.5176 2.9273 3.1253 2.7559 2.6316 3.2542 5.0294 3.2384 4.0413 3.9368 4.4953 4.0263 3.9939 4.4494 2.1173 2.9373 3.1287 2.7083 1.6803 3.0705 2.6851 1.6232 1.4051 1.7308 1.5049 1.7956 1.1044 2.0702 1.2803 2.0535 2.3500 1.7959 1.6120 1.5798 2.5814 1.8825 1.4819 1.6431 2.7568 1.9333 2.3497 2.2614 2.6183 1.4161 2.2742 2.0742 2.4602 1.6285 1.9104 1.9220 1.3169 1.4025 1.4514 1.3808 2.1649 1.3292 1.2539 1.3108 1.5760 1.3926 1.3054 1.2338 1.1127 1.7045 1.0760 1.0442 1.0445 1.0675 1.0428 1.0501 1.0536 1.0677 1.1074 1.0946 1.0470 1.2650 6.7681 11.4786 11.8993 5.6268 6.2916 1.0380 1.0370 1.0409 1.0384 1.0385 1.0399 1.0998 1.0994 1.0993 1.0627 1.0984 1.1018 1.1015 1.0850 1.1018 1.1005 1.0999 1.0973 1.1017 1.0981 1.0951 1.0926 1.0880 1.0877 1.0881 1.0887 0.0004 0.0007 0.0017 0.0030 0.0028 0.0094 0.0128 0.0113 0.0170 0.0112 0.0166 0.0383 0.0277 0.0411 0.0322 0.0316 0.0294 0.0291 0.0546 0.0606 0.0484 0.1367 0.2189 0.1724 0.1767 0.2949 0.2691 0.2220 0.2681 0.2355 0.4357 0.2863 0.3641 0.4211 0.4224 0.4303 0.5830 0.9705 0.7139 0.9440 0.9985 1.3299 1.2672 1.3449 1.6060 0.8562 1.2008 1.2960 1.1875 0.7640 1.5516 1.3744 0.8648 0.7711 0.9658 0.8465 1.0284 0.6483 1.2288 0.7705 1.2828 1.4843 1.1580 1.0705 1.0527 1.7503 1.3061 1.0483 1.1668 1.9875 1.4455 1.7832 1.7850 2.1061 1.1764 1.9556 1.8041 2.2973 1.5570 1.9350 1.9560 1.3542 1.4965 1.5736 1.5020 2.3840 1.5163 1.4484 1.5234 1.8352 1.6291 1.5296 1.4581 1.3386 2.1074 1.3350 1.3035 1.3043 1.3530 1.3281 1.3390 1.3461 1.3699 1.4266 1.4115 1.3647 1.6679 10.5291 19.0860 19.9213 9.5960 10.8852 5.5162 5.5292 5.5603 5.5781 5.5927 5.6113 6.0115 6.0270 6.0316 5.8773 6.1073 6.1332 6.1448 6.0993 6.2019 6.2073 6.2666 6.2720 6.3099 6.3059 6.3235 6.3402 6.3143 6.4167 6.4631 6.4799 0.5813 0.0561 0.3019 4.3491 6.3407 1.6516 2.9351 0.3124 6.9383 1.3127 1.5651 3.3525 1.7456 3.7301 0.8616 1.8939 1.7013 1.1232 0.6452 5.8151 0.6959 5.7275 13.0758 2.9772 5.6313 8.0283 5.1337 2.2839 6.0023 1.9873 16.6949 2.1546 10.1070 7.3440 14.0317 1.0033 25.9788 6.4182 6.0576 5.6788 5.3153 1.7047 37.7104 35.9355 33.6120 28.8502 1.7297 43.5443 4.7988 91.7278 21.2213 16.1333 132.0977 2.7842 22.3867 32.8067 14.8998 77.6590 238.1974 8.5436 17.1340 60.3816 4.6374 4.2036 1.8272 103.4275 99.1305 37.4414 6.5086 87.2808 411.1148 27.8928 473.0606 198.2017 14.3591 73.7660 22.2453 36.4850 7.3128 61.4977 80.0708 31.0774 48.6562 58.2045 31.0957 50.5891 87.3920 6.7130 6.8298 95.2059 36.7612 19.3294 2.0276 12.5139 77.9239 39.9211 16.0608 0.1948 49.4217 25.0532 14.6671 0.5556 8.3566 26.5538 8.4858 23.7165 9.9463 461.0083 766.9654 566.8347 28.8175 22.5317 51.4133 40.1445 83.4660 27.4128 84.1208 10.7433 28.5147 48.5785 26.2030 5.5648 9.0054 19.6776 84.6627 11.5222 33.3161 47.1629 30.1367 39.4144 10.5996 19.8976 1.0192 38.2562 22.3065 10.2278 9.1590 7.5029 -0.01 -0.00 -0.08 0.02 -0.01 -0.06 0.01 -0.03 -0.09 -0.01 0.01 -0.06 -0.01 -0.01 -0.00 -0.03 0.02 -0.04 -0.05 0.05 -0.07 0.03 -0.01 -0.10 -0.04 0.00 0.05 -0.00 0.00 -0.06 -0.02 -0.01 0.11 -0.01 0.01 -0.09 -0.05 0.01 0.16 0.04 -0.03 0.12 0.00 -0.02 -0.13 -0.01 0.00 -0.05 0.00 -0.01 -0.02 0.01 -0.02 -0.07 -0.02 0.01 -0.03 0.01 -0.00 0.05 0.06 0.02 0.19 0.06 0.02 0.27 0.03 -0.04 -0.00 -0.06 0.05 -0.03 -0.05 0.07 -0.11 -0.08 0.07 -0.04 -0.04 0.04 -0.06 0.06 -0.03 -0.10 0.02 0.00 -0.15 0.04 -0.02 -0.10 -0.08 0.02 0.05 -0.00 0.04 -0.10 -0.04 0.00 0.19 -0.05 0.00 0.19 -0.10 0.03 0.15 0.07 -0.04 0.08 0.05 -0.04 0.15 0.06 -0.04 0.15 0.02 -0.07 -0.14 -0.02 0.00 -0.17 -0.03 0.03 -0.03 -0.01 0.00 -0.03 -0.02 0.01 -0.01 -0.03 -0.02 0.01 0.10 0.03 0.25 0.17 0.06 0.30 0.01 -0.01 0.20 0.00 -0.01 0.38 -0.00 -0.10 -0.01 0.01 -0.13 -0.00 -0.06 0.05 -0.00 -0.08 -0.06 0.04 -0.02 -0.01 0.01 -0.01 -0.10 0.00 -0.11 -0.08 0.05 -0.13 -0.06 0.06 0.02 0.03 -0.01 0.00 -0.11 -0.00 0.04 0.11 -0.02 -0.01 -0.07 -0.01 0.08 0.15 -0.03 0.04 0.16 -0.02 -0.05 -0.04 0.01 0.03 -0.04 -0.03 0.02 0.01 -0.02 -0.04 0.01 -0.00 0.07 -0.06 -0.06 0.04 0.05 -0.04 0.06 0.13 0.05 0.09 0.17 0.04 -0.02 0.02 0.01 0.01 -0.12 -0.01 -0.13 -0.14 0.07 -0.06 -0.08 0.03 -0.14 -0.03 0.07 -0.12 -0.05 0.05 -0.15 -0.11 0.08 -0.16 -0.03 0.07 0.02 0.00 -0.01 -0.01 -0.10 -0.00 0.14 0.17 -0.05 0.05 0.21 -0.02 0.08 0.12 -0.03 0.02 0.12 -0.01 0.01 0.22 -0.01 0.11 0.18 -0.04 -0.06 -0.04 0.01 -0.08 -0.05 0.02 0.09 -0.09 -0.05 0.06 -0.07 -0.04 0.08 -0.04 -0.09 0.06 0.01 -0.12 0.05 0.17 0.14 0.15 0.26 0.04 0.10 0.12 -0.06 0.05 0.15 0.12 -0.02 0.02 -0.00 -0.02 -0.04 -0.02 -0.02 0.01 0.02 0.03 -0.05 -0.06 0.01 -0.08 -0.04 0.00 -0.04 -0.03 0.05 -0.04 -0.07 0.06 -0.06 -0.08 -0.01 -0.09 -0.01 -0.01 -0.02 -0.02 0.06 0.03 0.03 -0.04 0.03 0.01 0.02 0.00 0.05 0.18 0.21 0.06 -0.03 0.02 0.00 -0.03 0.03 0.05 -0.03 0.02 0.04 -0.03 0.02 0.02 -0.03 0.04 0.08 -0.03 0.02 0.06 -0.07 -0.02 -0.05 -0.06 -0.02 -0.03 0.01 -0.10 -0.04 -0.01 -0.02 -0.03 0.07 -0.01 -0.07 0.04 -0.03 -0.06 0.07 -0.06 -0.09 0.05 -0.07 -0.07 0.07 -0.03 -0.09 0.08 -0.08 -0.09 -0.09 -0.21 -0.03 -0.06 0.05 0.00 0.11 0.05 -0.04 -0.00 0.07 0.19 -0.07 -0.13 0.03 0.21 0.23 0.04 0.16 0.29 0.20 0.28 0.26 -0.04 -0.02 0.01 -0.00 -0.03 0.03 -0.01 -0.06 0.07 0.07 -0.00 0.01 0.06 -0.01 0.05 0.12 -0.00 0.06 0.17 -0.10 -0.07 -0.16 -0.14 -0.14 -0.04 -0.03 0.03 0.10 -0.03 0.04 -0.14 0.02 -0.04 0.04 0.02 -0.09 0.02 -0.05 -0.03 -0.20 -0.02 0.00 -0.04 0.01 0.00 -0.01 0.02 -0.02 0.01 -0.03 0.06 -0.07 -0.05 -0.04 -0.08 0.04 0.07 0.00 0.02 -0.06 0.02 0.02 0.02 -0.00 -0.00 0.02 0.04 0.06 0.12 0.01 -0.06 -0.13 -0.02 -0.02 -0.00 -0.02 0.02 0.03 0.11 0.00 0.02 0.04 -0.03 -0.01 -0.08 0.06 0.06 0.24 0.01 0.03 0.06 -0.02 -0.00 -0.05 -0.01 0.01 -0.02 0.00 -0.04 -0.00 0.03 0.02 0.03 -0.04 0.06 -0.09 -0.01 0.09 -0.04 -0.04 0.07 -0.09 -0.04 -0.08 -0.06 -0.06 -0.05 -0.09 -0.06 -0.03 -0.10 0.09 0.17 0.01 -0.02 0.06 0.03 0.06 0.09 0.10 0.05 0.11 -0.10 0.12 0.23 0.02 -0.10 -0.21 -0.03 -0.07 -0.14 -0.13 -0.06 -0.17 0.08 -0.07 -0.01 0.00 0.01 0.00 -0.02 0.09 0.14 0.24 0.05 -0.01 0.29 0.07 0.07 0.28 0.05 0.07 0.17 -0.07 -0.05 -0.17 -0.08 -0.11 -0.02 0.03 0.06 0.11 0.02 0.09 -0.13 0.01 -0.02 -0.07 0.03 -0.01 -0.05 0.05 0.05 0.17 -0.04 -0.01 0.01 0.00 0.02 0.00 -0.00 -0.03 -0.03 -0.09 -0.03 0.03 -0.05 -0.00 0.02 0.00 0.04 0.01 0.01 -0.02 -0.06 -0.01 0.00 0.02 -0.00 0.01 -0.08 -0.00 0.03 0.03 -0.02 -0.06 0.01 0.01 -0.02 -0.11 0.01 0.02 -0.01 0.02 0.02 0.05 0.03 0.02 0.05 0.01 0.01 -0.02 0.04 0.04 0.13 -0.03 -0.04 -0.09 0.00 -0.00 -0.01 0.03 0.04 0.00 -0.01 -0.05 -0.04 -0.11 -0.06 0.02 -0.09 -0.04 0.02 -0.10 -0.01 0.07 -0.02 0.01 0.01 -0.07 -0.03 0.02 -0.06 0.02 0.05 0.01 0.08 0.01 -0.01 0.05 -0.09 -0.02 0.02 0.07 0.00 0.02 -0.00 0.01 0.08 0.04 -0.03 -0.08 0.00 -0.02 -0.08 -0.02 -0.04 -0.08 0.06 0.09 -0.13 -0.16 -0.08 0.03 -0.20 -0.05 0.01 -0.04 0.05 -0.01 -0.07 0.04 0.03 0.02 0.12 0.14 0.38 -0.12 -0.14 -0.36 -0.14 -0.27 -0.01 0.10 0.11 0.29 0.06 0.18 -0.25 -0.04 0.15 -0.01 0.08 -0.12 -0.01 0.02 0.02 0.01 0.02 -0.07 0.04 0.04 -0.06 0.02 0.04 -0.07 0.01 0.01 -0.09 0.05 0.02 -0.06 0.05 0.07 -0.01 0.01 0.03 -0.03 -0.01 0.06 0.00 -0.00 -0.03 0.11 -0.02 0.14 0.13 -0.00 -0.00 -0.10 -0.02 0.01 0.09 -0.01 -0.07 0.08 -0.04 -0.05 0.04 -0.03 -0.00 0.05 -0.00 -0.11 0.07 -0.09 -0.09 -0.01 -0.04 -0.04 -0.03 0.06 -0.10 -0.11 0.04 0.04 -0.04 0.02 0.02 -0.08 0.00 0.00 -0.09 0.05 -0.01 -0.10 0.04 0.01 -0.09 0.07 0.02 -0.05 0.04 0.01 -0.07 0.05 0.01 -0.05 0.06 0.12 0.06 0.02 -0.01 0.11 -0.01 0.19 0.12 0.07 0.10 0.18 -0.09 0.19 0.20 0.01 -0.07 -0.23 -0.02 -0.06 -0.03 -0.11 0.07 -0.12 0.07 0.02 0.10 -0.02 0.03 0.09 -0.02 -0.18 0.05 -0.12 -0.07 0.09 -0.16 -0.12 0.07 -0.06 -0.17 -0.04 -0.14 0.05 -0.00 0.16 -0.04 -0.02 0.05 -0.20 -0.14 -0.08 -0.11 -0.23 0.16 -0.02 -0.07 0.00 -0.10 0.19 0.04 -0.03 -0.01 0.02 0.05 -0.03 -0.00 -0.03 -0.08 0.01 -0.04 0.01 0.03 0.12 -0.04 -0.01 0.13 0.00 -0.00 -0.02 -0.05 0.01 -0.06 0.06 0.03 0.01 0.01 0.01 -0.02 -0.05 -0.02 0.10 0.20 0.02 -0.03 -0.06 -0.00 -0.04 -0.05 -0.04 -0.01 -0.04 -0.03 -0.01 -0.03 -0.01 -0.03 -0.03 -0.01 -0.01 -0.04 -0.04 0.01 -0.00 0.01 -0.01 0.01 -0.03 0.02 0.05 0.01 -0.05 -0.11 0.01 -0.06 0.02 0.03 0.19 0.09 -0.04 0.00 -0.06 0.01 0.21 -0.16 -0.02 0.11 0.02 -0.01 0.16 0.07 -0.01 0.18 -0.05 0.01 0.02 0.00 0.02 -0.00 -0.04 -0.02 0.23 0.20 0.10 0.03 0.31 -0.05 0.14 0.25 0.03 -0.16 -0.31 -0.03 -0.17 0.14 -0.09 0.19 -0.06 0.10 -0.03 -0.10 -0.06 -0.07 -0.03 -0.08 -0.01 -0.05 -0.03 -0.01 -0.04 -0.04 -0.01 -0.04 -0.05 0.04 0.02 0.07 -0.06 -0.01 -0.09 0.01 -0.00 0.01 0.07 0.08 0.08 0.02 0.13 -0.04 0.03 -0.05 -0.06 -0.06 0.10 -0.07 0.02 0.01 0.09 -0.01 -0.02 -0.02 0.02 0.01 -0.06 0.02 -0.03 -0.09 -0.06 -0.07 0.01 -0.02 0.01 0.02 0.01 0.02 -0.03 -0.00 0.01 -0.08 0.02 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.03 0.07 0.06 -0.06 0.02 0.00 -0.01 -0.01 0.01 0.01 0.06 0.00 -0.00 0.02 0.01 0.00 0.04 0.01 0.04 0.16 -0.02 -0.02 -0.07 0.02 0.04 0.07 -0.03 -0.02 -0.11 0.05 0.06 -0.06 0.02 -0.08 -0.10 -0.08 -0.10 0.01 -0.07 -0.10 -0.01 -0.07 -0.05 0.07 0.03 0.05 -0.01 -0.05 -0.04 0.02 -0.04 0.04 0.08 -0.01 0.05 -0.03 -0.06 0.03 -0.03 0.01 0.02 0.12 -0.00 0.03 0.08 -0.04 0.07 0.06 0.08 -0.08 -0.01 0.07 -0.08 0.02 0.06 -0.08 0.07 0.03 -0.03 -0.02 -0.02 0.00 -0.03 0.03 0.13 0.16 0.00 -0.00 0.20 0.00 0.03 0.21 -0.08 -0.11 -0.29 0.09 0.13 0.31 0.04 0.26 -0.13 -0.11 -0.14 -0.41 -0.04 -0.22 0.08 0.03 0.02 -0.01 -0.07 0.07 -0.06 -0.04 -0.03 -0.13 -0.00 -0.01 -0.01 0.04 0.04 -0.07 0.04 -0.03 -0.09 -0.04 -0.08 0.03 -0.03 0.03 0.05 0.02 0.03 -0.05 -0.00 0.03 -0.06 0.03 -0.00 0.00 -0.00 -0.02 0.07 -0.01 0.02 0.08 0.09 -0.07 0.02 0.01 0.05 0.20 -0.00 -0.01 0.00 -0.00 0.00 0.02 -0.01 0.00 0.02 -0.01 -0.04 -0.10 0.01 0.02 0.05 -0.02 -0.02 -0.03 0.00 0.01 0.06 0.06 0.09 -0.08 0.06 -0.08 -0.11 -0.06 -0.13 0.05 -0.03 -0.11 -0.01 -0.06 -0.05 0.09 0.00 0.08 0.02 -0.06 -0.04 0.07 -0.07 0.08 0.11 -0.00 0.06 -0.05 -0.05 -0.11 0.07 -0.01 0.00 0.12 -0.00 0.00 0.10 -0.06 0.06 0.06 0.14 -0.04 -0.02 0.13 -0.14 0.03 0.03 -0.10 0.06 -0.06 0.27 0.26 0.12 -0.05 0.38 -0.06 -0.11 -0.11 0.01 -0.00 -0.15 -0.00 -0.03 -0.12 0.04 0.06 0.18 -0.06 -0.07 -0.17 -0.05 -0.16 0.07 0.06 0.08 0.24 0.02 0.13 -0.07 0.01 0.00 -0.01 0.01 -0.01 -0.02 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.01 0.01 -0.00 0.01 -0.01 -0.05 0.00 0.01 0.02 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.02 -0.02 -0.02 0.00 0.00 -0.00 0.01 -0.02 -0.04 -0.01 -0.02 0.03 0.00 0.01 0.01 0.03 0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.02 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.02 0.02 0.01 -0.01 0.01 -0.01 -0.08 -0.04 0.01 -0.03 0.00 0.01 -0.07 0.04 0.04 0.03 0.00 -0.01 0.02 0.02 -0.03 0.03 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.13 -0.08 0.07 0.03 -0.14 -0.13 0.06 0.09 0.01 -0.25 -0.43 -0.04 -0.30 0.50 -0.04 0.52 0.09 0.09 0.00 0.05 0.04 0.03 -0.01 0.07 0.03 -0.00 0.01 0.01 0.00 0.02 0.01 0.00 -0.01 0.00 0.00 0.00 0.02 -0.00 0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.00 0.01 -0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.01 0.06 0.03 -0.01 -0.01 -0.00 -0.01 -0.01 -0.02 -0.00 -0.01 0.00 0.03 -0.01 -0.01 -0.04 -0.01 0.01 -0.01 -0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.02 0.01 -0.01 0.00 -0.02 0.02 0.01 0.02 0.01 -0.04 0.00 0.03 -0.06 -0.01 0.04 -0.01 0.09 0.00 0.02 -0.00 0.02 -0.04 0.01 -0.03 -0.03 -0.02 -0.08 0.07 -0.02 -0.01 -0.02 0.01 -0.01 0.00 0.05 0.01 -0.00 0.03 -0.01 -0.01 0.04 -0.02 -0.03 -0.04 -0.00 0.01 -0.05 -0.04 0.03 -0.06 0.02 0.01 -0.01 -0.00 -0.02 0.01 -0.03 0.00 0.00 0.01 0.02 -0.01 0.01 0.03 -0.03 0.01 0.01 0.01 -0.02 -0.01 0.01 0.00 0.01 0.03 -0.01 0.01 -0.03 0.03 0.02 -0.02 0.01 0.03 0.61 -0.07 0.20 -0.23 0.13 0.41 -0.02 -0.06 -0.43 -0.02 0.04 -0.00 0.06 -0.06 -0.07 0.02 -0.16 0.09 -0.08 -0.05 0.11 -0.03 -0.09 0.08 -0.03 0.11 -0.00 0.03 -0.06 -0.02 0.06 -0.10 0.08 0.01 0.01 0.00 0.01 0.02 -0.03 0.01 0.01 -0.02 0.06 -0.02 0.01 -0.03 0.03 0.04 0.01 0.02 -0.03 0.01 0.02 -0.01 0.01 -0.00 -0.01 -0.00 0.03 -0.00 -0.02 -0.00 0.03 0.04 -0.02 0.00 0.04 -0.01 0.00 -0.06 -0.03 -0.02 -0.07 -0.10 -0.09 0.01 -0.08 -0.01 -0.08 0.02 0.11 -0.05 -0.09 -0.09 -0.08 0.00 -0.10 0.08 0.21 0.06 0.01 0.04 -0.03 0.03 -0.01 -0.02 0.08 0.00 0.04 0.05 -0.03 -0.01 0.07 -0.04 -0.00 -0.07 0.05 0.04 -0.02 0.01 0.09 -0.05 0.04 0.02 -0.00 0.02 -0.03 0.02 0.04 0.00 -0.06 -0.03 0.08 0.00 -0.05 0.00 -0.02 0.06 0.03 0.01 -0.13 -0.03 -0.01 0.07 0.00 0.16 -0.02 0.04 0.04 0.02 0.01 0.10 -0.01 0.01 0.13 0.09 0.18 -0.22 0.04 0.30 -0.14 -0.03 0.00 0.01 -0.07 -0.01 -0.20 -0.01 -0.16 0.22 0.21 0.10 0.23 0.19 0.10 -0.06 0.41 0.11 0.01 0.01 -0.05 0.01 -0.00 -0.05 -0.00 -0.01 0.01 0.01 0.00 0.01 0.01 -0.02 0.07 -0.02 0.01 -0.03 -0.16 -0.01 0.05 0.19 0.00 -0.07 0.01 -0.03 0.07 0.00 0.01 -0.05 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.06 0.01 -0.06 -0.08 0.03 -0.00 0.01 0.02 0.07 -0.01 -0.01 -0.00 -0.02 -0.02 -0.02 -0.01 -0.01 0.01 0.01 -0.01 0.05 -0.01 -0.01 -0.02 -0.02 -0.00 -0.02 0.00 0.02 0.02 0.06 0.01 0.07 -0.08 0.04 -0.02 -0.25 -0.10 -0.01 -0.17 -0.02 0.05 -0.21 0.06 0.16 0.21 -0.03 -0.06 0.22 0.13 -0.17 0.29 -0.10 -0.06 0.02 -0.04 0.07 -0.05 -0.05 0.00 0.15 0.06 -0.17 0.01 0.11 -0.02 0.08 -0.12 -0.05 -0.02 0.21 0.06 0.02 -0.13 -0.02 -0.29 0.02 -0.07 -0.01 0.12 0.10 0.05 -0.03 0.16 0.21 -0.01 0.11 -0.11 0.03 0.21 -0.03 -0.03 -0.11 -0.00 -0.01 0.00 -0.03 -0.01 -0.04 0.03 0.01 0.03 0.02 0.03 0.04 -0.02 0.06 0.03 0.00 -0.01 0.06 -0.07 0.15 0.07 0.02 0.02 0.04 -0.01 -0.04 -0.02 0.04 -0.03 0.03 0.04 -0.06 0.03 -0.12 0.05 -0.03 -0.07 -0.12 -0.07 0.06 -0.01 0.02 -0.00 0.02 0.06 0.06 -0.01 0.00 0.02 0.02 0.02 0.06 -0.06 -0.03 0.04 0.00 -0.00 0.00 0.01 -0.02 0.00 0.02 -0.02 -0.01 -0.00 -0.08 0.00 0.01 -0.02 -0.02 0.03 0.00 -0.02 -0.01 -0.08 -0.01 -0.03 -0.08 0.02 0.00 0.08 0.04 -0.05 0.03 0.05 -0.04 0.04 -0.25 -0.13 -0.04 0.05 0.12 -0.02 -0.28 0.24 -0.04 0.18 -0.13 -0.12 -0.23 -0.32 -0.21 -0.22 0.05 0.07 0.08 -0.01 0.03 0.05 0.03 0.03 -0.03 -0.08 -0.02 0.10 -0.14 -0.10 0.12 -0.01 -0.02 0.03 -0.00 0.01 0.03 0.01 -0.00 0.05 0.01 -0.01 -0.01 -0.02 -0.02 0.00 0.03 -0.04 -0.19 0.09 -0.06 0.08 -0.03 -0.12 0.01 0.04 0.17 -0.01 0.01 -0.03 -0.01 -0.05 -0.14 0.15 -0.03 0.13 -0.00 0.01 0.09 -0.06 0.05 0.17 0.02 -0.05 -0.01 0.01 -0.05 -0.02 -0.02 0.06 0.05 -0.00 0.02 0.00 -0.02 0.01 -0.01 -0.01 0.02 -0.01 0.04 -0.02 0.01 0.03 0.05 0.02 -0.03 0.01 -0.01 0.00 -0.02 -0.02 -0.02 0.01 -0.00 0.00 -0.03 0.01 -0.03 0.02 0.01 -0.02 0.00 0.00 -0.02 0.02 0.05 0.03 0.00 -0.01 -0.00 0.01 -0.09 -0.02 0.03 -0.01 0.05 0.02 0.06 -0.00 0.01 -0.11 0.01 -0.04 -0.09 0.01 -0.06 0.10 -0.02 0.02 -0.01 -0.01 0.01 -0.01 0.08 0.05 0.01 -0.03 -0.04 0.01 0.10 -0.09 0.02 -0.09 0.05 0.05 0.12 0.16 0.08 0.11 -0.04 -0.05 -0.03 0.01 -0.01 -0.02 -0.06 0.01 -0.01 0.03 0.01 -0.04 0.04 0.04 -0.05 0.01 0.01 -0.02 0.00 -0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 -0.05 0.08 0.07 -0.01 -0.02 0.11 -0.34 0.16 -0.08 0.30 -0.18 -0.20 0.16 0.09 0.47 -0.00 0.03 -0.05 0.05 -0.08 -0.16 0.18 -0.10 0.16 -0.08 -0.04 0.10 -0.08 -0.06 0.24 0.00 0.05 -0.00 -0.00 0.01 -0.01 0.06 -0.02 -0.01 -0.02 -0.01 -0.01 -0.04 -0.03 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 -0.02 -0.07 -0.03 0.00 -0.07 -0.07 0.00 -0.00 0.02 -0.01 -0.06 -0.05 0.00 0.02 0.02 0.00 -0.01 0.04 0.01 -0.06 -0.01 0.00 0.05 0.03 0.04 0.02 0.02 -0.00 0.03 0.00 -0.00 0.05 0.00 0.00 0.01 0.03 0.02 0.03 -0.00 -0.00 0.04 -0.00 -0.00 0.04 -0.00 -0.01 -0.04 -0.04 -0.00 -0.03 -0.01 -0.00 -0.01 -0.03 0.00 0.03 0.01 -0.02 -0.03 0.02 -0.04 0.02 -0.02 -0.02 -0.14 -0.14 -0.02 -0.15 0.06 0.06 -0.08 -0.10 -0.00 0.02 0.01 0.01 0.41 0.20 -0.26 -0.19 0.42 0.33 -0.20 -0.35 -0.04 -0.10 -0.08 0.00 -0.11 0.08 0.00 0.03 0.01 -0.00 0.05 0.09 0.05 0.09 0.01 0.08 -0.03 0.06 -0.00 0.04 0.00 -0.01 0.02 0.03 0.07 0.03 -0.00 -0.01 0.04 -0.00 0.00 0.02 -0.01 -0.02 0.05 0.00 0.00 0.05 0.01 -0.04 0.01 -0.00 -0.05 0.02 0.02 -0.03 0.01 -0.01 -0.00 -0.01 -0.02 0.00 -0.01 -0.02 0.03 -0.01 -0.02 -0.00 0.05 -0.01 -0.02 -0.04 -0.04 -0.01 -0.01 0.01 0.05 0.01 0.00 -0.04 -0.01 0.03 0.03 -0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.06 0.05 0.02 0.02 0.02 0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.04 0.03 -0.04 -0.03 -0.01 0.21 0.34 -0.17 -0.31 -0.04 0.08 0.32 -0.33 0.00 0.23 -0.01 -0.07 -0.20 -0.26 -0.13 -0.18 0.13 0.19 -0.00 0.02 0.05 -0.03 -0.03 -0.02 -0.15 -0.06 0.06 0.06 -0.14 -0.17 0.12 0.12 0.01 -0.06 0.11 0.06 -0.04 -0.01 0.00 -0.14 0.05 -0.02 0.01 0.11 0.06 0.05 -0.02 0.12 -0.01 0.03 0.01 0.00 -0.01 0.02 -0.00 0.01 0.04 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.02 -0.02 -0.01 0.02 0.01 0.02 0.02 0.02 -0.03 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.03 0.01 0.01 0.05 0.00 0.00 0.01 0.01 -0.01 -0.03 0.01 0.02 0.07 -0.04 -0.04 -0.08 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.04 -0.02 -0.03 -0.00 0.01 0.03 -0.03 0.00 0.03 0.01 -0.01 -0.02 -0.03 -0.01 -0.02 0.02 0.02 -0.00 0.00 0.00 -0.01 0.02 -0.00 0.03 0.01 -0.03 -0.01 0.03 0.02 -0.01 -0.03 -0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.01 0.01 -0.03 0.05 -0.07 -0.01 -0.02 0.03 -0.01 0.00 -0.01 -0.11 0.05 0.07 0.21 -0.09 -0.08 -0.21 0.39 0.40 0.07 -0.13 -0.15 -0.42 -0.22 -0.14 0.48 -0.03 0.07 0.04 -0.07 0.00 0.01 0.08 -0.02 -0.02 -0.03 -0.05 -0.02 -0.06 -0.07 -0.02 -0.04 -0.04 0.00 -0.02 -0.08 -0.01 -0.00 -0.04 -0.02 -0.07 -0.04 -0.01 -0.04 0.01 0.02 -0.04 0.03 0.00 0.03 0.04 0.01 -0.04 0.05 0.02 -0.04 0.04 0.00 0.06 0.03 0.01 0.03 0.03 -0.01 0.04 0.01 0.00 0.06 0.00 -0.00 0.02 0.03 0.00 0.05 0.00 0.01 0.05 -0.02 -0.01 0.06 -0.01 -0.02 -0.08 -0.08 -0.02 -0.04 -0.03 0.00 -0.05 -0.17 0.05 0.08 -0.08 -0.05 -0.09 0.00 -0.02 -0.23 -0.08 0.04 0.15 0.16 0.09 0.13 -0.20 -0.20 -0.08 -0.05 -0.02 0.06 0.03 0.02 -0.31 -0.08 0.29 0.06 -0.19 -0.27 0.10 0.41 0.06 0.02 0.17 0.02 0.04 -0.09 0.02 -0.19 0.03 -0.04 0.06 0.05 0.01 0.09 0.03 0.02 0.01 0.05 -0.00 0.03 0.03 -0.00 0.02 0.03 0.02 0.05 0.01 0.03 0.05 -0.02 -0.03 0.09 0.04 -0.02 0.05 -0.03 -0.07 0.04 -0.03 0.03 0.03 -0.05 -0.11 0.09 0.07 -0.04 -0.02 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.03 0.03 -0.01 -0.00 0.02 0.09 0.05 -0.04 -0.07 -0.02 0.03 -0.01 -0.03 0.05 0.03 0.01 -0.05 -0.00 -0.01 0.04 -0.02 -0.02 -0.05 0.04 0.00 -0.01 -0.05 0.02 0.03 -0.00 0.02 0.06 -0.02 -0.01 -0.01 -0.02 -0.00 0.00 -0.02 0.00 0.01 -0.02 -0.00 0.02 -0.02 0.00 0.02 -0.03 0.01 0.01 -0.03 0.01 -0.00 -0.00 -0.06 0.03 -0.04 -0.01 0.02 -0.02 -0.28 0.18 0.54 0.12 -0.13 -0.18 0.35 -0.21 -0.25 -0.04 0.08 0.01 0.03 0.16 -0.05 -0.07 -0.12 -0.01 -0.06 0.05 -0.08 -0.06 -0.06 -0.02 -0.02 0.04 0.05 -0.04 -0.11 0.12 0.08 0.01 -0.05 0.06 0.06 -0.03 -0.02 0.01 -0.10 0.02 -0.00 -0.01 0.16 0.08 0.03 -0.04 0.18 -0.01 0.03 0.02 -0.02 -0.02 0.03 -0.02 -0.00 0.04 -0.02 0.00 0.02 -0.04 0.00 0.00 -0.02 0.03 -0.00 -0.03 0.00 -0.02 -0.03 0.00 0.01 -0.02 0.03 0.01 0.01 -0.06 -0.00 -0.02 0.01 0.00 0.04 0.03 -0.01 -0.02 -0.02 -0.01 -0.02 0.06 0.00 0.02 -0.01 0.02 0.05 0.05 0.01 -0.04 -0.06 -0.03 -0.01 0.02 0.00 -0.02 -0.01 -0.02 -0.00 -0.02 -0.00 -0.01 0.04 0.01 0.01 0.00 -0.01 -0.01 -0.02 -0.01 0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.03 -0.02 0.01 0.01 0.01 0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.04 -0.02 -0.01 -0.03 0.08 0.01 -0.08 -0.23 0.13 0.24 -0.01 -0.07 -0.14 0.18 0.01 0.47 0.13 -0.11 -0.21 -0.27 -0.20 -0.14 0.29 0.36 -0.05 -0.09 -0.03 0.01 -0.02 0.01 -0.08 -0.01 0.15 0.01 -0.02 -0.11 0.04 0.21 0.02 0.05 0.06 -0.01 0.05 -0.06 0.02 -0.05 -0.00 -0.03 -0.01 -0.03 -0.01 -0.02 -0.01 -0.02 -0.00 -0.00 0.00 0.05 -0.06 -0.00 0.05 0.00 0.06 0.02 0.01 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.02 0.00 -0.03 0.01 -0.08 0.08 -0.05 0.08 0.04 0.03 -0.01 -0.01 0.01 -0.04 0.01 0.04 -0.06 -0.03 0.04 -0.06 0.03 0.08 -0.09 0.09 0.02 -0.03 -0.01 0.01 0.00 -0.07 -0.06 -0.03 0.05 0.03 0.03 -0.04 -0.07 -0.03 -0.05 -0.08 0.03 0.01 -0.02 0.17 -0.07 -0.04 -0.00 0.01 0.05 -0.02 -0.05 -0.11 -0.01 -0.02 -0.03 -0.02 -0.01 -0.01 0.06 -0.03 0.05 0.04 0.03 0.09 0.02 0.01 0.03 0.00 -0.02 -0.04 -0.12 -0.04 0.03 -0.09 0.05 0.09 -0.04 0.27 -0.14 -0.30 0.11 0.13 0.04 -0.06 0.05 -0.13 -0.04 0.04 0.03 0.07 0.05 0.01 -0.07 -0.08 0.05 -0.08 -0.06 0.01 -0.13 -0.06 0.02 -0.02 0.05 0.03 -0.01 -0.08 0.04 0.09 -0.02 0.24 -0.05 -0.13 0.20 -0.09 0.06 0.19 -0.07 -0.01 -0.02 0.21 0.09 0.06 -0.08 0.21 0.01 0.12 0.03 0.10 -0.19 0.08 0.12 0.02 0.22 0.06 0.05 0.14 0.01 -0.01 -0.03 -0.01 0.08 -0.05 -0.03 -0.06 -0.14 0.02 -0.11 0.01 0.09 -0.20 -0.03 0.20 0.06 0.08 0.04 -0.00 -0.02 -0.02 -0.02 0.02 -0.07 -0.03 -0.01 -0.00 -0.03 0.10 -0.06 -0.00 0.02 0.07 -0.04 -0.04 -0.06 -0.02 -0.11 0.08 -0.06 0.07 -0.06 0.01 -0.11 0.02 0.03 0.00 -0.16 0.08 0.06 0.05 -0.01 -0.09 0.03 0.05 0.03 0.01 0.06 0.07 0.00 0.02 0.03 0.03 0.02 0.02 -0.11 0.07 -0.04 -0.05 -0.03 -0.05 -0.04 -0.01 -0.02 -0.02 0.03 0.02 -0.16 -0.05 -0.01 0.03 -0.01 0.12 -0.06 0.04 -0.05 -0.14 0.00 0.05 -0.02 -0.04 0.06 0.20 -0.05 -0.06 0.03 -0.01 -0.16 0.10 -0.05 0.05 -0.02 -0.04 -0.11 -0.07 0.06 -0.03 -0.14 0.04 0.22 -0.14 0.05 0.12 -0.30 0.23 0.02 0.10 0.01 -0.14 0.07 -0.02 -0.02 0.06 -0.01 -0.08 0.03 0.10 0.04 0.04 0.02 0.08 -0.04 -0.01 -0.01 -0.18 0.24 -0.03 -0.21 -0.02 -0.18 -0.08 -0.05 -0.10 -0.05 0.01 0.03 -0.01 -0.03 0.04 0.03 0.05 0.10 -0.04 0.11 -0.01 -0.04 0.09 -0.00 0.07 0.07 0.04 0.03 -0.07 0.02 0.00 -0.05 -0.01 0.01 0.01 -0.02 0.04 -0.07 0.03 0.04 -0.09 -0.00 0.06 -0.08 -0.06 0.04 0.14 -0.01 0.02 0.01 0.03 -0.00 0.09 -0.02 -0.01 -0.01 -0.03 -0.12 -0.00 0.05 -0.06 0.02 -0.03 0.01 -0.00 -0.00 -0.03 -0.04 -0.05 -0.04 -0.01 -0.03 -0.01 -0.03 -0.02 0.15 -0.08 0.02 -0.03 0.04 0.04 -0.05 0.07 0.03 -0.11 0.02 0.01 0.00 -0.01 -0.02 0.07 -0.08 0.02 0.02 -0.19 0.10 0.15 -0.11 -0.06 -0.03 -0.02 -0.01 0.17 -0.11 -0.06 0.02 -0.07 -0.17 0.07 -0.09 -0.00 0.07 0.19 -0.01 0.04 -0.03 -0.01 -0.11 0.02 -0.04 -0.08 -0.02 0.27 -0.30 -0.13 0.00 -0.12 -0.05 -0.02 -0.10 0.07 -0.12 -0.03 0.01 0.02 -0.01 0.04 0.01 0.03 -0.03 0.04 0.09 -0.07 -0.01 0.24 -0.28 -0.01 0.29 0.05 0.12 0.01 0.05 0.05 -0.05 0.06 0.01 -0.12 0.03 0.00 -0.18 0.02 -0.03 -0.08 -0.07 0.03 0.04 -0.01 0.00 0.00 0.00 -0.02 0.10 -0.11 -0.01 0.00 0.02 -0.00 -0.01 -0.02 0.00 -0.01 0.03 -0.02 -0.04 0.05 -0.00 -0.05 0.04 0.03 -0.05 -0.12 -0.00 0.01 0.01 -0.02 -0.02 -0.07 0.00 0.01 0.03 0.05 0.06 0.02 -0.02 0.02 -0.00 0.01 0.03 -0.00 -0.04 0.01 0.03 0.10 -0.03 0.02 0.04 0.03 -0.01 0.02 0.17 -0.08 -0.04 -0.08 0.03 -0.08 -0.09 0.09 -0.03 -0.15 0.04 0.06 -0.01 -0.00 -0.00 -0.02 0.03 -0.02 -0.03 0.14 -0.10 -0.16 0.06 0.05 0.02 -0.02 0.03 -0.16 0.05 0.05 -0.00 0.05 0.13 -0.05 0.03 -0.04 -0.07 -0.16 -0.01 -0.04 0.12 0.02 0.06 -0.01 0.09 0.03 0.03 -0.18 0.17 0.14 0.01 0.07 0.07 0.01 0.06 -0.04 0.08 -0.01 0.01 -0.04 0.06 -0.13 -0.07 -0.01 0.06 -0.15 0.10 -0.28 -0.06 0.26 -0.14 -0.14 0.29 0.06 -0.09 -0.05 -0.01 -0.17 -0.05 0.12 0.04 -0.13 -0.09 0.09 -0.23 0.11 0.16 -0.14 0.04 0.05 0.02 0.16 0.00 0.15 0.08 -0.02 -0.17 0.18 -0.02 0.03 -0.01 -0.02 0.02 -0.01 -0.03 0.05 -0.01 -0.02 -0.04 -0.02 -0.00 -0.04 -0.03 -0.02 -0.03 -0.06 -0.02 0.07 0.07 -0.02 -0.03 -0.04 -0.01 0.02 0.01 0.07 -0.02 0.03 0.03 -0.05 0.03 -0.01 -0.03 -0.06 -0.02 0.02 -0.01 0.08 0.01 -0.03 0.04 -0.03 0.02 0.02 0.11 -0.07 -0.00 -0.07 -0.18 -0.01 -0.05 -0.17 0.04 0.10 0.02 -0.02 0.03 0.00 -0.03 0.06 -0.03 -0.03 -0.05 0.03 -0.09 -0.16 -0.04 0.03 0.01 -0.07 0.08 -0.17 -0.06 0.02 0.01 0.00 0.07 -0.03 -0.06 -0.14 -0.07 -0.08 -0.02 0.02 0.06 0.06 0.00 0.01 0.13 -0.04 0.04 -0.02 -0.02 0.13 0.03 -0.05 0.08 0.03 -0.04 0.02 0.01 -0.07 0.05 -0.08 -0.01 -0.27 -0.07 -0.10 0.03 -0.20 0.03 -0.18 -0.03 0.18 -0.12 -0.09 0.17 -0.00 0.00 -0.15 -0.19 -0.06 -0.12 -0.11 0.13 0.07 0.08 -0.03 0.33 -0.02 0.01 0.03 0.21 -0.07 0.01 0.11 0.01 0.12 0.05 -0.01 -0.08 -0.06 0.01 0.03 -0.00 -0.02 0.03 0.00 -0.03 0.05 -0.00 -0.02 -0.03 -0.02 0.00 -0.03 -0.02 -0.02 -0.02 -0.04 -0.01 0.05 0.05 -0.01 -0.02 -0.03 -0.00 0.01 -0.03 0.05 -0.01 0.02 0.02 -0.04 0.02 -0.01 -0.04 -0.08 -0.01 -0.01 -0.08 0.06 -0.00 -0.03 0.05 -0.07 -0.05 0.05 -0.16 -0.05 0.04 0.13 0.16 -0.08 0.13 0.15 -0.12 -0.01 -0.07 0.04 0.03 0.01 -0.03 0.06 -0.01 -0.02 -0.04 0.00 -0.06 -0.12 -0.05 0.01 0.01 -0.05 0.08 -0.12 -0.05 0.01 0.01 -0.00 0.05 -0.03 -0.03 -0.11 -0.04 -0.04 -0.01 0.02 -0.02 0.05 0.01 0.00 0.09 -0.02 0.03 -0.00 -0.02 0.08 0.02 -0.05 0.06 0.03 -0.04 0.02 -0.00 -0.06 0.04 -0.06 -0.02 -0.24 -0.05 -0.11 -0.01 -0.14 -0.12 -0.03 0.05 -0.22 0.08 0.06 -0.24 -0.14 -0.01 0.23 0.14 -0.09 0.24 0.11 -0.17 0.06 -0.24 0.09 -0.28 0.02 0.09 0.03 -0.23 0.10 0.00 0.02 -0.01 -0.11 -0.03 -0.07 -0.01 -0.00 0.00 0.02 -0.03 0.17 0.05 0.06 0.02 0.06 -0.08 -0.05 0.05 0.20 0.08 0.06 -0.16 0.05 -0.01 -0.05 -0.03 -0.01 -0.01 -0.06 -0.03 -0.03 -0.05 -0.00 -0.00 -0.00 -0.07 0.05 0.05 -0.02 0.02 -0.06 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.13 0.28 0.02 0.12 -0.27 -0.13 0.07 0.27 0.02 0.13 0.36 0.22 0.02 0.21 -0.13 0.13 -0.28 0.09 0.04 -0.11 -0.08 0.07 -0.17 -0.01 -0.02 -0.08 -0.03 -0.01 -0.00 0.00 -0.03 0.02 0.19 -0.07 0.06 0.05 -0.15 0.18 0.02 -0.02 0.06 -0.03 -0.01 0.01 -0.04 -0.04 0.03 -0.11 -0.00 -0.03 -0.01 -0.01 0.00 -0.03 0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.01 0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.05 0.05 -0.08 -0.00 0.00 -0.06 -0.01 -0.03 -0.03 -0.08 -0.01 0.06 -0.08 -0.03 0.09 -0.12 0.03 0.05 0.06 -0.01 0.03 0.01 -0.06 -0.03 0.03 0.09 0.02 -0.06 0.04 -0.06 0.03 0.10 -0.02 -0.06 0.04 0.02 -0.02 -0.02 -0.06 0.10 -0.06 -0.01 -0.01 -0.01 0.00 0.00 0.04 0.14 0.02 0.02 0.13 0.00 0.01 0.09 0.04 -0.02 -0.01 0.02 -0.02 -0.12 0.05 -0.03 -0.08 0.09 -0.03 0.02 -0.10 -0.06 0.09 -0.23 0.03 0.05 0.09 -0.05 0.18 0.21 -0.01 -0.03 0.01 0.03 -0.10 0.12 -0.13 -0.02 -0.02 -0.03 -0.16 0.03 -0.08 -0.00 0.11 0.09 0.03 -0.16 0.10 -0.03 -0.08 0.01 -0.21 0.02 -0.07 0.04 -0.04 -0.17 -0.06 0.13 -0.16 -0.13 0.11 -0.08 -0.02 0.15 -0.11 0.16 0.08 -0.12 -0.05 -0.09 0.05 -0.10 0.02 -0.19 -0.01 0.07 0.03 -0.08 0.07 0.02 -0.10 -0.00 -0.07 -0.24 0.12 0.00 0.03 0.15 -0.13 0.06 0.11 0.02 0.13 0.04 0.08 0.01 -0.04 0.03 -0.01 0.02 0.02 0.01 -0.00 -0.04 0.01 -0.03 -0.09 -0.04 -0.02 -0.09 -0.04 0.02 -0.14 -0.00 -0.06 0.10 -0.13 0.07 0.12 0.14 0.02 0.01 -0.01 -0.00 -0.06 0.01 0.04 0.04 0.01 -0.04 0.03 -0.00 -0.00 -0.02 0.03 -0.04 0.01 -0.01 -0.02 0.02 0.00 -0.02 0.02 0.03 -0.01 0.01 0.02 -0.02 -0.00 0.02 0.02 -0.01 -0.00 0.01 0.01 -0.02 0.04 -0.02 -0.01 0.05 -0.02 -0.01 -0.04 -0.12 -0.04 0.05 -0.13 0.01 -0.09 0.15 -0.27 -0.02 0.28 0.04 -0.10 0.14 -0.28 0.09 0.41 0.01 0.10 0.12 0.24 0.14 0.09 0.41 0.00 0.04 -0.01 -0.05 0.04 -0.01 -0.04 -0.01 -0.01 0.03 -0.06 0.10 -0.06 -0.06 0.01 -0.09 -0.01 0.04 -0.06 0.02 -0.09 -0.06 0.01 0.00 -0.00 0.01 -0.01 -0.02 0.02 -0.00 0.02 -0.06 -0.00 0.04 -0.02 -0.01 0.05 0.03 -0.03 0.01 0.00 -0.04 0.06 -0.02 -0.00 0.06 -0.02 -0.00 0.07 -0.02 0.00 0.04 0.01 -0.01 0.03 0.06 0.01 -0.03 -0.01 -0.03 -0.01 0.19 -0.08 -0.04 -0.05 0.01 -0.05 -0.07 0.02 -0.03 -0.04 0.01 -0.01 0.03 -0.04 0.02 0.01 0.05 -0.03 0.01 0.01 0.00 0.01 -0.03 0.01 0.10 0.01 0.12 -0.09 -0.01 -0.02 -0.00 -0.04 0.03 -0.03 0.01 0.14 -0.11 0.02 0.07 -0.09 -0.07 0.09 -0.03 0.05 0.14 0.02 0.05 -0.08 -0.02 0.04 -0.02 -0.06 -0.00 -0.10 0.08 -0.03 -0.17 0.05 0.04 -0.06 -0.09 0.02 -0.08 -0.05 0.00 -0.01 0.05 -0.06 0.04 0.10 0.02 -0.04 0.05 -0.14 0.05 0.09 0.01 0.04 0.03 0.05 0.07 -0.02 0.15 -0.03 -0.03 0.01 0.18 -0.14 0.02 -0.10 0.02 -0.16 0.02 -0.06 0.01 -0.02 -0.10 -0.04 0.04 -0.11 -0.07 0.04 -0.07 -0.04 0.03 -0.08 0.16 0.21 -0.21 -0.03 0.03 -0.07 -0.06 -0.06 0.19 0.04 -0.15 0.04 0.10 -0.20 -0.16 0.15 0.02 -0.09 -0.07 -0.15 0.11 0.02 -0.12 -0.06 0.08 -0.29 0.11 0.11 -0.17 0.01 0.08 -0.01 -0.02 -0.03 -0.05 -0.03 -0.02 0.01 0.01 -0.02 0.09 0.02 -0.03 0.03 -0.08 0.06 -0.04 0.10 0.03 -0.02 0.00 0.01 -0.04 -0.00 0.01 0.11 -0.06 -0.02 -0.03 0.04 -0.01 0.15 0.03 -0.05 -0.01 -0.02 -0.03 -0.00 -0.03 0.15 -0.07 0.04 -0.12 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.01 0.04 0.02 0.01 0.03 0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.01 -0.00 -0.02 -0.01 0.00 0.01 -0.05 -0.14 0.05 -0.15 0.20 0.07 -0.08 -0.01 -0.08 -0.12 -0.02 0.03 -0.01 0.01 0.15 -0.16 -0.02 0.04 -0.03 -0.09 0.15 -0.13 0.07 -0.11 0.16 -0.08 -0.02 -0.03 -0.02 -0.04 -0.04 -0.06 0.24 0.08 -0.12 0.38 -0.28 0.02 0.07 -0.23 0.02 0.07 -0.13 0.06 -0.36 -0.15 0.04 -0.18 0.05 0.01 -0.01 -0.02 -0.01 0.01 0.00 0.03 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.02 -0.03 -0.06 -0.00 0.01 0.02 0.02 -0.02 0.02 -0.00 0.02 0.03 -0.02 0.03 0.01 0.08 -0.01 0.03 0.02 -0.00 -0.04 -0.01 -0.01 0.06 0.05 -0.00 0.01 -0.03 -0.06 -0.00 -0.01 0.04 -0.02 -0.01 0.03 0.02 -0.01 -0.03 0.02 -0.08 -0.10 0.00 0.03 0.03 -0.04 0.07 0.24 0.02 0.04 0.03 0.09 -0.03 0.01 -0.04 0.01 -0.04 0.01 -0.02 0.01 -0.01 0.01 0.02 0.06 -0.04 -0.03 -0.13 -0.05 -0.04 -0.12 -0.00 0.00 -0.01 0.01 0.02 0.05 0.02 0.01 0.05 0.00 -0.01 -0.02 -0.01 -0.04 -0.00 -0.05 0.02 -0.03 -0.04 0.03 -0.05 -0.05 0.05 0.06 -0.01 0.03 0.06 -0.05 -0.05 0.04 -0.01 -0.06 0.07 -0.05 0.00 -0.04 -0.18 -0.32 -0.02 0.02 0.07 0.08 -0.23 0.02 -0.24 0.07 -0.16 0.08 -0.06 -0.15 -0.05 -0.03 -0.25 -0.09 0.02 -0.15 -0.25 -0.06 -0.18 0.35 -0.17 0.01 0.04 0.10 0.01 -0.02 -0.04 -0.13 -0.02 0.02 0.08 -0.09 -0.01 0.00 -0.09 0.03 0.07 0.18 -0.02 -0.03 -0.06 -0.06 0.07 -0.05 -0.00 -0.04 -0.09 0.05 -0.08 -0.03 -0.06 -0.03 -0.02 0.03 -0.00 0.08 0.02 -0.04 -0.05 0.07 0.03 0.01 0.03 0.06 -0.13 0.07 0.01 -0.04 -0.00 0.02 0.05 0.01 -0.03 -0.02 -0.10 -0.08 -0.07 -0.02 -0.01 0.07 0.05 0.14 0.07 -0.05 -0.03 -0.10 0.04 -0.01 -0.02 -0.04 -0.02 0.07 -0.03 0.02 0.01 -0.03 -0.01 -0.10 0.02 0.05 0.13 0.01 0.05 0.13 0.01 0.01 0.00 -0.02 -0.01 -0.05 -0.01 -0.03 -0.04 0.03 -0.00 0.01 0.05 0.19 -0.13 0.25 -0.08 -0.06 -0.04 0.01 -0.02 -0.08 0.00 0.06 0.01 0.02 0.15 -0.00 -0.10 0.02 -0.01 -0.05 -0.03 -0.03 -0.00 -0.09 -0.31 -0.26 -0.10 -0.02 -0.08 -0.08 -0.08 0.01 -0.18 0.08 -0.09 -0.03 0.11 -0.12 -0.00 -0.10 -0.15 0.05 -0.04 -0.09 -0.16 -0.11 -0.10 0.27 0.12 0.01 -0.05 -0.17 0.01 0.02 0.06 0.16 0.02 -0.00 -0.11 0.10 0.04 0.03 0.10 -0.07 -0.05 -0.17 0.04 0.01 0.07 0.09 -0.05 0.03 0.08 0.02 0.07 -0.03 0.10 0.01 0.01 -0.01 -0.00 -0.03 -0.02 -0.02 0.01 -0.04 -0.01 0.23 -0.03 -0.06 0.05 -0.08 0.03 0.03 0.03 -0.00 -0.01 0.00 -0.02 0.01 -0.05 0.07 -0.00 0.07 0.11 0.02 0.03 -0.01 -0.12 0.01 -0.03 -0.00 -0.01 -0.01 -0.13 0.07 -0.10 0.04 -0.01 0.01 -0.03 0.01 0.00 -0.01 -0.01 -0.05 -0.01 0.03 0.02 -0.02 0.03 0.05 0.01 0.01 -0.00 -0.02 0.01 -0.01 -0.00 -0.02 -0.00 0.02 -0.00 -0.00 0.09 -0.23 0.04 -0.04 0.11 0.03 -0.17 -0.07 -0.26 -0.14 0.06 0.08 -0.07 0.10 0.17 -0.15 -0.02 0.09 0.02 -0.22 0.32 -0.13 0.07 -0.04 0.12 0.22 0.13 0.01 -0.05 0.00 -0.11 0.07 -0.12 -0.14 0.09 -0.13 -0.09 0.04 -0.09 0.20 -0.00 -0.17 0.09 -0.03 0.24 0.13 -0.01 0.07 0.01 -0.07 -0.03 -0.12 0.03 -0.04 0.03 0.09 0.00 -0.00 -0.05 0.05 0.02 0.02 0.05 -0.04 0.01 -0.03 0.01 -0.01 0.02 0.02 0.01 -0.00 0.05 -0.01 0.00 0.00 0.03 -0.01 -0.06 -0.01 -0.05 -0.02 -0.03 0.05 -0.05 0.09 0.04 0.10 -0.01 -0.01 0.00 -0.01 -0.09 0.00 0.03 0.01 -0.01 0.01 0.02 0.02 -0.05 0.03 -0.01 0.05 -0.04 -0.04 0.02 0.05 -0.02 -0.01 0.03 -0.03 0.03 -0.11 0.01 -0.01 -0.01 -0.02 0.01 0.04 0.09 0.01 -0.05 0.01 0.01 0.15 0.02 -0.06 0.05 0.02 -0.08 -0.12 -0.01 -0.05 0.01 0.04 -0.04 -0.01 0.01 0.04 -0.03 -0.02 0.00 0.01 -0.04 -0.01 -0.09 0.07 0.01 0.01 -0.09 -0.03 -0.11 -0.08 0.04 0.08 -0.04 0.06 0.12 -0.02 -0.06 0.04 0.01 -0.10 0.08 -0.03 0.00 -0.02 -0.04 0.16 -0.04 -0.09 0.17 -0.16 0.01 0.00 -0.06 0.00 0.01 -0.05 0.07 -0.04 0.00 -0.01 0.03 0.05 -0.02 0.02 0.08 -0.00 0.02 0.01 -0.01 0.46 0.06 0.40 -0.16 0.29 -0.06 -0.29 0.00 0.03 0.07 -0.11 -0.00 -0.03 -0.13 0.10 -0.07 -0.06 0.01 0.06 0.01 0.01 -0.07 0.03 -0.11 0.04 0.04 -0.02 -0.04 0.03 -0.02 0.02 -0.01 -0.06 0.02 0.04 -0.05 0.03 0.01 -0.04 0.06 -0.04 0.10 0.06 0.16 0.10 -0.09 -0.02 0.01 -0.03 -0.03 -0.04 0.11 -0.07 0.01 -0.13 0.15 0.05 -0.10 0.03 -0.02 0.06 -0.05 -0.02 0.04 -0.09 -0.09 0.06 -0.03 0.04 -0.02 -0.07 0.04 0.04 -0.04 -0.03 -0.01 0.01 0.00 -0.02 0.07 -0.00 -0.03 -0.01 -0.00 -0.04 0.01 0.02 -0.02 -0.01 0.01 0.01 -0.03 0.00 -0.01 0.00 0.27 0.05 0.17 0.08 0.00 0.02 0.09 -0.00 0.12 0.04 -0.13 -0.14 0.06 -0.10 -0.04 -0.06 0.14 -0.08 -0.03 0.12 -0.04 -0.03 0.11 -0.05 0.02 -0.44 0.13 -0.01 0.10 -0.09 -0.09 0.04 0.04 -0.08 0.04 0.02 -0.17 0.13 -0.05 0.09 -0.10 -0.18 0.07 -0.09 -0.09 0.03 -0.08 0.10 0.05 0.26 -0.00 0.18 -0.05 0.13 0.02 -0.08 0.02 0.01 -0.09 0.02 0.04 0.01 -0.01 0.05 -0.05 -0.08 0.03 0.04 0.03 0.04 -0.06 0.02 -0.03 0.02 0.04 -0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.20 -0.10 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 -0.02 0.04 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.10 0.04 0.05 0.15 -0.09 0.10 -0.10 0.02 -0.05 -0.21 0.09 0.13 0.33 -0.12 0.08 -0.12 0.02 -0.00 0.07 -0.03 -0.08 0.03 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.04 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.10 -0.11 0.01 0.15 -0.06 -0.02 0.15 0.40 -0.11 0.12 0.28 -0.07 0.14 0.34 -0.09 0.19 -0.14 -0.01 -0.10 0.09 0.00 -0.05 -0.08 0.04 -0.24 0.08 0.05 -0.05 -0.08 0.05 0.06 -0.07 -0.01 -0.04 -0.01 -0.00 -0.09 0.05 -0.05 0.02 0.02 0.00 -0.05 -0.04 -0.02 0.00 0.00 0.03 0.01 0.02 0.04 -0.00 0.01 -0.01 -0.01 0.02 -0.04 0.04 -0.04 -0.00 0.00 -0.00 0.01 -0.02 0.17 0.01 0.02 -0.01 0.00 -0.01 0.00 0.02 0.14 0.10 0.02 -0.15 -0.00 -0.06 -0.10 -0.11 -0.08 0.04 -0.02 0.16 -0.02 -0.09 0.01 0.03 0.00 0.01 0.05 0.04 0.02 0.03 -0.02 -0.00 -0.12 -0.08 -0.02 -0.02 0.02 0.04 -0.01 -0.00 0.02 -0.01 0.01 0.04 0.00 0.03 0.08 0.01 -0.02 0.00 -0.01 -0.00 -0.02 -0.02 0.02 -0.03 -0.01 0.08 -0.03 -0.06 0.22 -0.01 0.01 -0.00 -0.02 0.02 -0.01 -0.00 0.03 -0.03 0.01 -0.01 0.01 0.04 -0.01 0.01 0.02 -0.00 0.01 -0.01 0.44 -0.16 -0.14 0.07 0.24 -0.26 0.08 -0.09 0.05 0.03 -0.38 0.11 0.18 0.11 0.03 0.16 0.04 0.14 0.01 -0.02 -0.16 -0.04 -0.00 -0.03 -0.05 -0.03 -0.06 0.10 -0.14 -0.02 0.17 0.02 0.08 -0.06 -0.02 -0.04 -0.09 -0.07 0.06 -0.06 -0.00 0.02 -0.08 -0.07 -0.01 0.01 0.02 0.04 -0.00 0.01 0.02 -0.00 -0.00 0.00 -0.01 0.03 -0.05 0.10 0.03 -0.03 0.01 -0.01 0.01 0.14 0.06 -0.05 0.02 -0.01 0.01 -0.00 -0.00 0.02 -0.04 0.14 -0.12 0.00 -0.06 -0.13 0.04 0.05 0.21 -0.13 -0.02 -0.05 -0.01 -0.05 -0.01 -0.01 0.00 -0.00 -0.02 -0.03 -0.05 0.00 -0.00 -0.00 -0.20 -0.14 -0.02 -0.08 0.01 0.02 0.01 0.02 0.04 0.02 0.02 0.03 -0.00 0.00 -0.02 0.04 -0.01 -0.00 -0.00 0.05 -0.07 0.04 -0.05 0.03 0.01 0.13 -0.04 0.31 0.05 -0.00 0.01 -0.01 -0.02 0.03 -0.02 0.01 0.04 -0.04 0.01 -0.02 0.02 0.05 -0.02 0.02 0.02 0.00 0.02 -0.03 -0.21 0.41 -0.00 0.21 0.02 0.14 0.08 0.14 0.02 -0.03 -0.20 0.12 0.03 -0.03 0.11 -0.09 -0.08 -0.23 0.05 0.05 0.18 0.11 -0.07 0.05 0.06 0.03 0.09 -0.09 0.13 0.03 -0.02 0.07 -0.06 -0.06 0.04 -0.02 0.03 -0.01 0.00 0.10 0.12 -0.01 -0.13 -0.16 -0.01 0.09 -0.17 0.04 0.06 0.10 0.20 -0.05 0.14 -0.13 -0.01 0.03 -0.05 0.07 -0.16 -0.03 -0.00 -0.00 0.01 -0.01 -0.05 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.03 -0.03 -0.05 0.02 0.04 0.00 0.04 0.01 0.02 -0.03 0.00 0.01 -0.02 0.01 0.03 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.26 -0.31 -0.01 0.08 -0.12 0.07 -0.00 0.01 0.18 -0.02 0.01 0.14 0.05 0.14 0.42 -0.04 0.02 -0.08 -0.08 0.10 -0.16 -0.13 0.21 -0.25 0.06 0.21 -0.03 -0.05 -0.07 -0.01 -0.02 0.00 -0.05 0.02 -0.03 0.00 0.02 -0.05 0.00 -0.01 0.03 0.05 -0.02 0.03 0.06 0.01 0.02 -0.03 -0.06 -0.08 0.03 -0.09 -0.05 0.01 -0.03 -0.01 -0.01 -0.00 0.12 -0.05 -0.06 -0.03 -0.03 -0.03 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.02 -0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.08 -0.09 0.14 0.13 0.05 -0.06 0.08 0.09 0.01 0.04 0.02 -0.00 -0.02 -0.04 0.00 -0.06 -0.03 -0.13 0.02 0.04 0.06 -0.00 0.02 -0.02 0.01 0.01 0.03 -0.08 -0.05 -0.06 0.00 -0.00 -0.00 -0.10 0.05 0.19 0.01 -0.00 0.01 0.01 -0.00 -0.02 0.02 -0.08 -0.01 -0.17 0.03 -0.13 -0.02 0.01 0.16 0.09 -0.05 -0.16 -0.02 0.01 -0.03 0.02 -0.00 0.02 0.02 0.02 -0.05 0.03 -0.02 -0.01 0.09 0.03 0.01 -0.08 -0.02 -0.13 0.02 0.03 0.06 0.03 0.04 0.07 0.01 0.05 0.07 -0.04 -0.02 0.01 -0.02 -0.04 0.01 -0.07 0.08 -0.10 0.08 0.11 0.05 -0.03 0.03 0.21 -0.01 -0.01 0.00 0.02 -0.02 0.03 -0.02 -0.01 0.00 0.02 0.01 -0.03 0.00 0.01 0.01 0.02 0.01 -0.04 -0.29 0.00 0.12 0.33 -0.07 0.01 0.13 0.16 0.01 -0.02 -0.34 0.16 0.16 0.18 0.07 0.07 -0.08 -0.16 0.08 0.08 0.11 0.12 -0.11 0.04 -0.02 0.03 0.06 -0.02 0.01 0.04 0.05 0.02 -0.03 -0.04 -0.01 0.01 -0.06 0.01 0.02 -0.02 -0.01 0.00 0.01 0.01 -0.00 0.03 0.02 0.05 -0.01 -0.01 -0.02 0.00 -0.01 0.01 -0.00 -0.00 -0.02 0.04 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.07 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.20 -0.23 0.02 -0.08 0.02 -0.00 -0.10 0.12 0.03 0.01 -0.11 -0.02 0.01 0.07 -0.02 -0.15 0.26 -0.04 -0.03 -0.07 0.02 0.06 -0.05 -0.01 -0.05 -0.03 -0.00 0.03 0.02 0.05 -0.01 -0.01 -0.02 -0.01 -0.02 -0.02 -0.00 -0.02 -0.02 0.02 0.00 0.00 0.01 0.02 -0.01 0.03 -0.03 0.03 -0.03 -0.03 -0.02 -0.00 -0.00 -0.03 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.02 -0.00 -0.00 0.00 -0.01 -0.00 0.02 0.20 -0.08 0.04 0.37 -0.25 0.07 0.03 0.09 -0.02 0.01 0.03 0.00 0.05 0.11 -0.02 -0.30 0.27 -0.07 0.23 -0.10 0.02 0.05 0.13 -0.04 0.35 -0.13 -0.04 -0.01 0.17 -0.07 -0.01 -0.07 0.08 0.09 -0.04 0.03 -0.05 -0.03 -0.01 -0.09 -0.02 0.03 0.01 -0.20 -0.07 0.05 -0.01 -0.19 0.01 0.05 0.11 -0.05 0.07 -0.06 0.03 -0.02 0.12 -0.14 0.21 0.03 -0.00 0.00 -0.00 0.03 -0.02 -0.08 -0.01 0.02 -0.01 0.00 -0.00 -0.05 0.05 0.03 -0.03 0.05 -0.01 0.04 -0.01 0.01 -0.05 -0.02 -0.00 0.09 0.01 -0.01 0.01 -0.03 0.04 -0.02 -0.01 -0.02 0.02 -0.00 -0.00 0.01 0.27 -0.08 -0.06 0.13 -0.22 -0.28 0.08 0.09 0.19 0.07 0.07 0.11 0.02 0.03 0.01 -0.01 0.07 -0.07 -0.04 0.15 -0.15 0.01 0.01 -0.04 0.19 0.29 0.16 0.13 0.06 -0.07 -0.08 0.00 -0.02 0.03 -0.05 0.08 -0.09 -0.02 -0.03 0.07 0.03 -0.11 0.01 0.02 0.06 0.05 0.02 -0.09 0.23 0.14 -0.08 0.03 -0.02 0.06 -0.05 -0.04 -0.01 0.01 0.13 -0.05 -0.05 -0.07 -0.01 -0.07 0.08 0.05 0.01 -0.05 -0.06 -0.05 0.07 -0.02 0.06 -0.03 -0.03 0.01 0.02 -0.03 0.12 0.00 -0.14 -0.08 -0.09 0.04 0.09 0.06 -0.01 -0.12 -0.03 0.04 0.06 -0.11 -0.06 0.17 0.05 0.11 -0.02 -0.01 0.01 -0.05 0.03 -0.03 0.03 -0.03 0.01 0.05 0.24 0.06 0.01 -0.00 -0.00 -0.10 -0.01 0.04 -0.05 0.03 -0.04 -0.02 -0.00 0.05 -0.10 -0.08 0.05 -0.12 0.04 -0.03 -0.03 -0.04 0.06 0.05 0.02 -0.10 -0.02 0.03 -0.02 0.04 -0.07 0.02 0.02 0.04 -0.03 0.02 -0.00 -0.01 -0.01 -0.21 -0.06 0.23 -0.14 0.04 0.03 0.02 0.07 -0.01 -0.02 -0.00 0.00 -0.04 -0.03 0.05 0.09 -0.07 -0.00 0.21 -0.17 0.12 -0.11 0.10 0.05 0.03 0.01 -0.27 -0.10 0.01 -0.06 0.03 -0.04 -0.04 0.02 -0.02 -0.08 0.03 -0.05 -0.00 0.00 0.04 -0.01 0.00 0.07 -0.00 0.00 0.04 -0.29 -0.19 0.10 -0.15 -0.04 -0.03 0.07 -0.00 0.01 0.02 -0.19 0.06 0.14 0.19 -0.02 0.15 -0.11 -0.02 -0.03 0.07 0.02 0.05 -0.11 0.02 -0.12 0.04 0.03 0.04 -0.09 0.04 -0.02 -0.03 -0.07 -0.00 -0.03 0.01 -0.02 -0.01 0.01 0.05 -0.00 -0.01 -0.02 0.04 0.01 -0.01 -0.09 0.04 0.01 -0.00 -0.01 -0.01 0.02 -0.03 -0.02 0.03 0.03 -0.05 0.10 0.02 -0.02 0.00 0.01 0.02 0.04 0.05 0.03 -0.02 0.03 0.01 0.01 -0.05 0.04 0.05 0.04 0.03 -0.01 -0.01 0.01 -0.00 -0.07 -0.02 -0.02 -0.03 0.00 -0.03 0.01 0.05 0.06 0.14 -0.03 -0.04 -0.08 -0.02 -0.01 -0.04 0.01 0.03 0.01 0.02 -0.17 0.01 -0.04 -0.04 -0.07 -0.03 -0.01 0.01 -0.01 0.03 0.08 -0.01 0.04 -0.03 -0.00 0.01 0.00 -0.01 0.03 -0.02 -0.11 -0.12 0.01 -0.06 -0.05 0.04 0.07 -0.02 0.04 0.00 0.01 -0.00 0.07 -0.01 0.04 0.03 -0.02 -0.09 0.02 -0.01 -0.06 0.01 -0.01 -0.01 0.05 -0.20 -0.00 0.05 0.18 -0.19 -0.02 -0.01 -0.00 -0.01 0.03 -0.01 -0.04 -0.07 0.02 -0.15 -0.13 -0.38 0.14 0.17 0.47 0.24 -0.13 0.07 0.06 0.05 0.13 -0.22 0.24 0.08 -0.04 -0.00 0.02 0.01 0.03 -0.00 -0.01 -0.01 0.00 -0.05 -0.01 0.01 0.08 -0.05 0.01 -0.01 0.07 -0.03 -0.01 0.01 0.02 -0.01 0.00 -0.00 0.12 -0.07 -0.11 -0.01 -0.07 -0.01 0.09 -0.03 -0.04 -0.01 0.01 0.00 -0.12 0.07 -0.12 -0.04 -0.01 0.22 0.02 0.02 0.01 0.02 -0.00 0.01 0.00 -0.01 -0.06 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.03 0.04 0.09 -0.02 -0.03 -0.05 -0.02 -0.01 -0.02 0.00 0.02 0.00 -0.08 0.19 0.02 0.06 0.07 0.10 0.05 0.01 0.01 0.02 -0.04 -0.09 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.26 0.04 -0.09 0.01 0.01 0.01 -0.15 0.06 -0.09 -0.09 0.04 -0.05 -0.25 0.11 -0.16 -0.13 0.03 0.39 -0.07 0.03 0.17 -0.07 0.02 0.13 0.09 -0.03 -0.02 0.01 0.05 -0.05 -0.03 -0.04 -0.00 0.00 0.06 -0.03 -0.04 -0.05 -0.01 -0.10 -0.09 -0.25 0.09 0.11 0.30 0.15 -0.09 0.05 0.04 0.03 0.09 -0.14 0.15 0.05 0.03 0.06 0.00 -0.02 0.05 0.04 0.02 0.01 -0.01 -0.08 0.01 0.01 0.00 -0.07 -0.07 0.03 0.19 -0.07 -0.01 0.00 0.01 0.01 -0.05 0.06 -0.08 -0.03 0.09 0.09 -0.19 0.01 -0.04 0.03 0.03 -0.04 -0.02 -0.05 0.06 -0.01 0.05 0.01 -0.00 -0.13 -0.02 -0.03 0.02 -0.03 0.02 0.02 -0.03 -0.03 -0.06 0.01 0.01 0.01 -0.00 0.02 0.01 0.04 0.02 0.10 -0.01 -0.01 -0.06 0.00 -0.01 -0.03 0.08 -0.08 -0.06 0.13 0.22 -0.05 0.05 0.04 0.09 0.04 0.01 -0.00 0.00 -0.04 -0.10 0.05 -0.10 0.08 0.00 -0.02 -0.01 0.04 -0.08 0.05 0.04 0.40 0.13 -0.02 -0.01 -0.04 -0.05 -0.01 -0.03 0.11 -0.10 0.09 0.07 -0.11 0.06 0.11 0.02 -0.24 0.03 0.01 0.00 0.08 0.01 -0.14 0.03 -0.01 -0.00 -0.13 -0.05 0.05 -0.01 -0.11 0.01 0.03 0.02 -0.04 0.03 0.06 -0.07 -0.04 -0.12 -0.25 0.08 0.13 0.31 0.18 -0.14 0.05 -0.00 0.05 0.09 -0.12 0.11 0.06 0.06 0.00 0.15 0.02 -0.01 -0.07 0.03 0.02 -0.04 0.03 0.01 -0.00 -0.05 0.01 0.05 0.01 -0.07 0.01 0.00 -0.00 -0.02 0.00 0.00 -0.00 0.02 0.07 -0.03 0.02 0.08 -0.04 -0.01 -0.01 -0.01 -0.03 -0.07 -0.11 -0.00 -0.02 0.00 0.01 0.01 0.01 -0.06 -0.08 -0.05 -0.08 0.03 0.05 -0.08 -0.06 -0.07 0.04 0.04 0.10 -0.01 0.06 0.01 0.02 0.00 0.07 -0.01 0.02 -0.04 0.03 -0.02 -0.02 -0.11 -0.03 0.05 -0.12 -0.04 0.01 -0.02 -0.02 -0.05 -0.02 -0.01 -0.02 -0.00 0.01 0.03 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.02 -0.02 -0.15 -0.33 -0.07 0.16 0.08 -0.09 0.10 -0.01 0.05 -0.06 0.07 -0.06 0.05 0.04 0.02 -0.03 -0.03 0.04 0.00 -0.01 -0.06 -0.03 -0.02 0.06 0.07 0.30 -0.04 -0.23 -0.30 0.33 -0.01 -0.19 0.02 0.07 0.01 -0.08 0.12 0.20 -0.14 0.02 -0.10 -0.16 0.02 0.11 0.18 0.15 -0.14 0.04 -0.04 0.04 0.06 -0.03 0.00 0.05 0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.04 0.02 0.01 -0.02 0.08 0.07 -0.01 -0.07 0.02 -0.01 -0.02 -0.06 0.01 0.01 -0.01 -0.08 -0.14 -0.05 0.00 0.05 0.00 0.02 0.03 -0.00 0.01 -0.01 -0.01 0.02 0.03 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.02 -0.01 -0.00 0.01 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.17 0.06 0.01 -0.13 -0.01 -0.01 -0.05 -0.05 -0.02 -0.05 -0.09 -0.00 -0.02 -0.03 -0.02 -0.01 0.01 -0.00 -0.04 0.03 -0.04 0.05 -0.05 0.38 0.71 0.06 0.03 0.00 -0.01 -0.20 0.03 -0.14 0.15 -0.17 0.11 -0.04 -0.13 -0.01 0.01 0.07 0.06 -0.03 0.05 0.13 0.05 0.04 -0.12 -0.01 0.03 0.00 -0.04 -0.04 0.05 0.00 -0.03 0.00 0.01 -0.01 -0.01 0.03 0.05 -0.03 0.01 -0.01 -0.01 -0.00 0.01 0.02 0.02 -0.02 0.00 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.04 -0.01 0.07 -0.00 0.01 -0.10 0.00 -0.00 -0.01 -0.02 -0.12 -0.02 0.16 0.09 -0.10 -0.05 0.04 0.19 0.06 0.00 0.09 -0.07 0.03 -0.07 -0.03 -0.07 0.04 0.03 -0.01 -0.06 -0.00 0.02 0.02 -0.08 0.04 0.04 -0.00 0.01 -0.00 -0.01 0.01 -0.03 -0.03 -0.03 -0.06 0.03 -0.01 -0.01 0.03 0.00 -0.04 0.03 -0.01 0.07 0.01 -0.03 -0.01 0.03 0.02 0.00 0.01 -0.03 0.00 -0.05 0.01 0.01 -0.04 -0.32 -0.10 0.00 -0.13 0.13 -0.08 -0.05 -0.15 -0.03 0.14 0.26 -0.03 0.11 0.13 0.02 0.25 -0.19 0.02 0.20 -0.09 0.13 -0.14 0.18 -0.03 0.20 0.05 -0.05 0.17 0.02 -0.03 0.00 -0.01 0.02 -0.02 0.02 -0.01 -0.01 -0.00 0.05 -0.02 -0.13 0.02 -0.02 0.00 0.02 -0.01 0.02 0.01 0.23 -0.03 0.10 -0.13 0.13 -0.01 0.11 -0.02 -0.05 0.02 0.04 -0.08 -0.14 0.08 -0.02 0.00 -0.05 0.08 -0.05 -0.02 -0.06 0.12 -0.01 0.08 -0.03 -0.01 -0.08 0.12 -0.03 -0.02 0.01 -0.03 0.00 0.01 0.01 -0.01 0.00 0.01 0.01 -0.09 -0.02 0.08 0.05 -0.06 -0.11 -0.00 0.03 0.03 -0.00 0.08 -0.03 0.03 -0.07 0.00 -0.02 0.02 -0.02 -0.04 0.00 0.01 0.00 0.00 0.19 -0.08 -0.04 -0.01 0.00 -0.01 -0.00 0.01 -0.01 0.05 0.05 0.04 -0.06 0.00 0.02 -0.08 -0.02 0.05 -0.04 0.03 -0.06 -0.02 0.08 0.02 -0.06 -0.03 0.01 -0.03 0.06 -0.01 0.11 -0.02 -0.03 0.08 -0.02 -0.05 -0.11 -0.03 0.02 -0.02 0.02 -0.08 0.03 0.15 0.24 -0.03 0.06 0.00 -0.05 0.18 -0.13 0.01 0.04 0.02 0.02 0.00 0.05 -0.02 0.05 0.02 0.25 -0.22 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.04 0.02 -0.02 0.01 -0.01 -0.04 0.01 -0.01 -0.00 -0.00 -0.00 0.03 0.00 -0.18 0.02 -0.14 0.10 -0.08 0.01 -0.23 0.04 0.10 -0.01 -0.09 0.16 0.28 -0.18 0.01 -0.01 0.07 -0.19 0.11 0.05 0.14 -0.26 0.02 -0.17 0.06 0.03 0.16 -0.25 0.07 -0.00 -0.01 0.02 0.00 0.00 -0.02 -0.01 -0.02 0.00 -0.01 0.02 0.01 -0.00 -0.00 0.00 0.03 0.01 0.02 -0.00 0.00 -0.02 -0.00 -0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.07 0.01 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.02 -0.02 0.04 -0.02 -0.01 -0.01 0.07 -0.02 -0.02 0.01 0.01 0.04 -0.04 -0.02 -0.06 -0.03 0.03 -0.05 0.06 -0.01 0.13 -0.00 -0.04 -0.03 -0.04 0.00 0.06 -0.03 0.01 -0.01 -0.02 0.01 -0.03 -0.05 -0.06 0.01 -0.00 0.04 0.03 -0.03 0.02 -0.00 0.02 -0.02 0.02 -0.03 0.01 0.01 0.00 0.00 -0.09 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 0.09 0.07 -0.03 0.16 -0.02 -0.01 -0.04 0.22 -0.05 -0.06 0.14 0.03 -0.17 -0.27 0.13 -0.18 0.00 0.08 -0.35 0.15 0.08 0.18 -0.38 0.04 -0.31 0.13 0.05 0.21 -0.36 0.11 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.02 0.00 -0.02 0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.02 -0.00 -0.01 0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.02 -0.07 0.01 -0.00 -0.00 0.10 -0.04 -0.04 -0.10 0.04 0.05 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 0.07 -0.10 -0.03 -0.02 -0.03 -0.01 -0.04 -0.05 -0.06 0.01 0.01 0.07 0.03 -0.04 0.02 -0.00 0.02 -0.03 0.02 -0.03 0.01 0.04 -0.03 0.00 0.02 -0.02 0.00 0.12 -0.14 0.33 0.15 -0.06 0.33 -0.35 0.19 -0.15 0.19 -0.04 -0.36 0.06 -0.12 0.36 0.10 -0.04 0.37 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.02 0.00 0.01 0.00 -0.01 0.01 0.02 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.06 -0.03 0.06 0.01 0.01 -0.07 -0.01 0.00 0.01 -0.02 0.07 -0.02 -0.01 -0.00 -0.01 0.05 0.03 0.06 0.01 0.07 -0.06 -0.02 -0.07 0.05 0.01 -0.01 0.02 -0.01 -0.00 -0.04 0.01 -0.01 0.01 0.00 -0.04 -0.03 -0.03 0.01 -0.00 0.02 -0.01 -0.01 0.03 0.06 0.04 -0.01 -0.00 -0.01 -0.00 -0.01 0.03 -0.01 -0.01 -0.05 -0.00 0.02 0.03 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.08 -0.19 -0.01 0.23 -0.24 -0.04 -0.04 -0.14 0.14 -0.16 -0.29 -0.37 0.09 0.03 0.39 0.09 0.05 -0.02 0.05 0.10 -0.01 0.14 -0.20 0.22 0.04 -0.01 0.03 0.08 -0.18 0.02 -0.03 0.03 -0.05 -0.03 0.01 -0.05 0.03 -0.02 0.01 -0.04 0.01 0.09 -0.01 0.03 -0.08 -0.02 0.01 -0.08 0.12 -0.11 -0.03 -0.02 0.15 -0.12 -0.05 -0.16 0.02 0.06 0.08 -0.08 0.02 0.06 -0.10 0.04 0.01 0.02 0.03 -0.01 -0.01 -0.01 0.03 -0.00 0.03 -0.02 -0.01 -0.01 0.02 -0.01 0.01 -0.00 -0.02 -0.00 -0.01 0.02 0.00 -0.00 -0.00 -0.03 -0.01 -0.09 0.03 0.03 0.01 0.02 -0.07 -0.04 -0.02 0.09 0.07 0.02 -0.09 -0.03 -0.02 -0.00 -0.03 0.00 0.04 0.02 -0.02 0.01 -0.01 -0.00 0.01 0.00 0.02 -0.01 0.02 -0.02 0.01 -0.00 -0.01 -0.02 -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 -0.03 -0.06 0.01 -0.26 0.41 0.14 0.13 0.08 0.40 0.05 -0.14 -0.18 0.11 -0.06 0.13 -0.13 0.33 -0.18 0.14 -0.13 0.33 0.04 -0.06 0.29 -0.01 0.06 -0.03 -0.03 0.04 -0.01 0.00 -0.01 0.00 0.03 -0.02 0.02 0.03 -0.02 0.02 0.04 -0.00 -0.08 0.01 -0.02 0.06 0.02 -0.00 0.05 -0.03 0.01 0.01 -0.00 -0.03 0.02 0.01 0.03 -0.00 -0.01 -0.01 0.02 -0.01 -0.02 0.02 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.02 0.08 0.01 0.00 -0.04 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.04 0.02 0.01 0.08 -0.05 -0.00 -0.02 -0.05 0.02 0.00 0.03 0.02 -0.03 -0.01 -0.04 0.02 0.04 -0.02 -0.02 0.01 0.00 -0.10 -0.03 -0.07 0.01 -0.01 0.02 -0.02 0.01 -0.01 0.04 0.05 0.07 0.00 -0.00 -0.02 0.01 0.01 0.03 -0.01 -0.03 -0.08 0.02 -0.00 0.04 0.00 -0.01 -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.15 -0.23 0.01 -0.25 0.47 0.19 0.04 0.09 -0.06 0.10 0.16 0.19 -0.05 -0.04 -0.26 0.06 -0.17 0.10 -0.06 0.03 -0.13 -0.02 0.03 -0.14 -0.04 0.08 -0.03 -0.04 -0.18 -0.02 0.02 -0.00 -0.00 0.00 0.00 -0.02 0.07 -0.03 0.04 0.04 -0.02 -0.11 0.02 -0.03 0.04 0.02 -0.01 0.07 0.21 -0.18 -0.04 -0.03 0.19 -0.18 -0.09 -0.13 0.00 0.04 0.15 -0.09 -0.06 -0.06 -0.07 0.02 0.03 0.07 0.02 0.00 0.02 -0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.03 -0.07 0.00 -0.01 -0.02 -0.02 -0.01 -0.03 0.02 0.05 0.00 0.02 -0.06 -0.02 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 0.04 -0.03 0.01 -0.01 0.03 -0.01 0.01 0.02 0.00 -0.01 -0.00 -0.01 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.03 -0.00 -0.00 -0.01 -0.01 0.01 0.02 0.02 0.00 -0.02 -0.05 0.03 0.01 0.01 0.02 0.19 0.25 0.67 0.17 0.20 0.55 0.12 -0.07 0.03 0.01 0.02 0.04 -0.12 0.12 0.03 -0.11 -0.03 -0.06 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.02 0.07 -0.01 0.03 0.02 -0.04 0.07 -0.05 -0.02 -0.01 0.00 -0.02 -0.02 0.00 0.10 -0.00 -0.03 0.02 -0.01 0.03 -0.01 0.01 0.00 0.01 0.15 0.01 0.09 -0.02 -0.01 -0.00 0.01 0.02 -0.01 -0.01 -0.02 -0.07 -0.00 -0.01 0.02 -0.01 -0.02 -0.02 0.01 0.03 0.07 -0.02 0.02 -0.02 -0.01 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.16 -0.37 -0.04 -0.16 0.36 0.13 0.01 0.01 0.00 -0.01 -0.02 -0.04 0.00 -0.01 -0.01 0.20 -0.33 0.20 -0.08 0.14 -0.27 0.08 -0.11 -0.09 0.02 0.11 0.03 0.10 0.09 0.05 0.06 -0.00 0.02 -0.06 0.06 -0.06 0.02 0.03 0.01 -0.01 -0.04 -0.03 0.02 -0.03 -0.09 -0.03 -0.02 0.08 -0.19 0.14 0.04 0.06 -0.13 0.13 0.08 0.05 0.01 -0.01 -0.13 0.05 0.09 0.12 0.01 0.03 0.05 0.12 0.02 0.06 0.12 0.05 -0.04 0.01 0.01 0.00 0.01 -0.02 0.01 0.01 -0.03 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.02 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.04 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.00 0.01 0.04 0.08 0.01 -0.05 -0.09 -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 0.01 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 -0.03 0.08 0.05 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.03 0.02 -0.01 0.02 -0.04 0.01 -0.01 -0.01 -0.20 -0.37 -0.05 0.02 -0.00 0.01 -0.34 0.07 -0.21 0.24 -0.25 0.17 -0.06 -0.17 -0.01 0.10 0.19 -0.00 -0.09 0.12 0.42 0.19 0.08 -0.38 -0.02 0.02 0.00 0.02 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.01 0.00 0.01 0.01 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.08 -0.02 -0.01 -0.00 0.00 -0.04 0.00 0.02 -0.01 -0.00 -0.01 0.04 0.03 -0.07 0.02 0.06 0.05 0.10 -0.08 -0.01 -0.00 0.06 0.02 -0.05 -0.01 0.02 -0.05 0.02 0.01 -0.03 -0.03 0.01 0.00 0.04 -0.04 0.07 -0.00 -0.02 0.04 -0.02 0.03 -0.01 -0.00 0.06 -0.07 -0.02 -0.06 0.00 -0.05 -0.06 0.02 0.03 -0.00 0.04 0.05 0.04 0.00 -0.02 0.02 -0.00 -0.01 0.02 -0.00 0.01 -0.03 0.00 0.07 0.14 0.01 0.25 -0.14 0.03 0.14 0.15 0.26 0.14 -0.02 -0.09 0.03 -0.18 -0.30 -0.19 0.06 -0.02 0.02 -0.25 0.23 -0.18 0.25 -0.13 -0.01 0.05 -0.05 0.03 -0.14 0.09 0.05 0.02 -0.04 -0.05 0.03 -0.09 0.16 -0.06 0.08 0.05 -0.04 -0.15 0.03 -0.05 0.03 0.01 -0.02 0.13 -0.08 0.12 -0.03 0.11 0.04 -0.01 -0.06 0.05 -0.04 0.03 0.23 -0.07 -0.05 -0.05 -0.04 0.09 0.02 0.04 0.07 0.03 0.03 0.03 0.02 -0.00 0.10 -0.05 -0.00 -0.01 0.04 -0.02 0.06 0.03 -0.01 0.00 -0.00 0.03 0.02 0.05 -0.01 -0.00 0.00 -0.02 -0.02 0.03 -0.00 -0.03 -0.03 -0.05 0.04 0.01 0.00 -0.03 -0.01 0.02 0.00 -0.01 0.02 -0.01 -0.01 0.02 0.01 -0.00 -0.00 -0.04 -0.05 0.01 0.00 0.01 -0.02 0.01 -0.01 0.01 -0.02 0.10 -0.03 -0.03 -0.10 0.07 -0.12 -0.14 0.05 0.04 -0.02 -0.01 0.12 0.05 -0.08 -0.03 0.03 0.00 -0.03 0.05 -0.01 0.01 -0.06 0.01 -0.02 -0.03 -0.00 -0.13 0.11 -0.01 -0.07 -0.08 -0.13 -0.07 0.02 0.06 -0.02 0.09 0.15 0.08 -0.02 0.00 -0.01 0.11 -0.10 0.08 -0.11 0.07 0.01 -0.01 0.03 -0.07 -0.08 0.01 -0.01 -0.01 0.03 0.02 -0.01 0.05 -0.09 0.04 -0.04 -0.03 0.01 0.08 -0.01 0.02 -0.03 -0.01 0.01 -0.06 -0.04 0.05 -0.04 -0.06 0.11 -0.06 -0.02 0.49 -0.13 -0.08 0.36 0.04 -0.16 -0.25 0.15 0.20 0.00 -0.00 0.16 0.03 -0.00 0.04 0.07 -0.00 0.23 -0.12 -0.01 -0.03 0.10 -0.04 -0.03 -0.00 0.04 0.00 0.00 -0.03 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.02 -0.01 0.00 0.01 0.01 0.03 -0.02 -0.00 -0.00 0.02 0.01 -0.01 0.00 0.00 -0.02 -0.00 0.00 -0.02 -0.01 0.00 -0.00 0.02 -0.04 -0.07 -0.00 -0.00 0.02 -0.01 0.01 -0.00 0.03 0.01 0.06 0.03 0.02 0.15 -0.01 -0.01 -0.01 -0.04 0.02 -0.07 -0.04 -0.02 -0.14 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.02 -0.04 0.00 0.07 -0.06 0.01 0.04 0.04 0.07 0.03 -0.02 -0.04 0.01 -0.05 -0.07 -0.03 -0.01 0.01 -0.00 -0.05 0.04 -0.04 0.06 -0.04 -0.00 -0.00 -0.02 -0.00 0.14 -0.11 -0.00 0.01 -0.03 -0.01 0.00 -0.03 0.06 -0.03 0.03 0.02 -0.00 -0.06 0.01 -0.01 0.03 0.01 -0.00 0.03 0.14 -0.10 -0.01 -0.19 0.04 -0.01 0.30 0.48 -0.03 -0.18 -0.43 0.31 0.13 0.12 0.30 0.01 -0.04 -0.07 -0.01 -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.02 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.02 -0.03 -0.01 0.07 -0.09 -0.04 -0.03 0.03 -0.07 0.01 0.03 0.07 0.01 0.01 -0.01 -0.01 0.10 -0.00 0.01 0.01 0.03 -0.01 0.04 -0.01 0.01 -0.01 0.01 0.01 -0.09 0.05 -0.03 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.22 -0.31 -0.09 0.07 -0.17 -0.02 0.13 0.14 0.26 0.12 -0.02 -0.07 0.03 -0.13 -0.21 -0.07 -0.13 0.10 -0.01 -0.23 0.13 -0.13 0.18 -0.17 -0.14 0.03 0.09 -0.00 0.03 -0.01 -0.01 -0.06 0.16 0.05 -0.01 0.18 -0.34 0.17 -0.18 -0.08 0.03 0.21 -0.03 0.07 -0.14 -0.03 0.02 -0.19 0.01 -0.02 0.00 -0.04 -0.00 0.01 -0.02 -0.00 -0.00 0.00 0.03 -0.01 -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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.00 0.00 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.03 0.04 0.06 0.15 -0.04 -0.05 -0.14 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.02 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.03 -0.13 -0.14 -0.38 0.53 -0.23 0.09 0.09 0.12 0.29 -0.42 0.32 0.20 -0.05 -0.03 0.01 -0.00 -0.00 -0.01 0.00 0.02 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 -0.01 0.00 0.00 0.01 -0.00 -0.01 0.04 0.01 -0.01 -0.00 0.00 -0.01 0.10 0.19 -0.09 -0.01 0.00 0.02 -0.02 0.01 -0.00 -0.10 -0.05 0.13 0.01 0.00 -0.04 0.03 -0.05 0.03 0.09 -0.12 -0.05 0.05 -0.04 0.02 -0.06 0.06 -0.00 -0.06 0.04 -0.01 0.05 -0.04 0.01 0.01 -0.03 0.00 -0.02 -0.12 -0.06 0.02 0.02 0.03 0.01 -0.02 -0.03 0.01 -0.02 -0.03 0.02 -0.01 0.00 -0.00 0.02 -0.02 0.01 -0.01 0.00 0.03 -0.02 -0.02 0.14 0.45 -0.15 -0.01 0.02 -0.05 -0.02 0.00 -0.05 0.08 -0.04 0.04 0.03 -0.01 -0.06 0.01 -0.02 0.04 0.01 -0.00 0.05 -0.14 -0.22 0.12 -0.54 -0.10 0.15 -0.09 0.02 -0.03 -0.00 0.18 -0.03 -0.13 -0.23 0.02 -0.07 0.07 0.02 -0.01 0.06 0.03 0.01 -0.00 -0.01 0.11 -0.08 -0.04 0.08 -0.05 -0.03 -0.10 -0.03 0.01 -0.01 -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 0.01 -0.08 -0.03 0.04 0.12 0.04 0.00 0.03 -0.06 0.01 -0.03 -0.04 -0.05 -0.07 0.03 0.02 0.07 0.03 -0.03 -0.01 0.00 0.01 0.03 0.01 0.01 0.05 -0.02 -0.07 0.07 -0.03 0.02 -0.01 0.01 0.00 0.01 0.00 0.01 0.01 -0.01 -0.00 0.02 -0.02 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.05 0.34 0.04 0.09 0.26 0.09 -0.04 -0.01 -0.20 0.01 0.13 0.20 -0.07 0.05 -0.08 -0.05 0.25 -0.17 0.07 0.05 0.10 0.06 -0.09 0.20 -0.13 0.10 0.03 0.00 -0.02 0.00 0.06 -0.09 0.21 0.07 -0.01 0.20 -0.29 0.16 -0.16 -0.12 0.01 0.28 -0.03 0.07 -0.19 -0.08 0.01 -0.17 -0.03 -0.01 0.01 -0.01 0.02 -0.00 0.04 0.01 0.01 -0.01 -0.06 0.02 0.03 0.04 0.02 -0.03 0.02 0.00 -0.02 0.01 0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.02 -0.02 -0.00 0.02 0.00 0.01 -0.00 0.00 -0.03 0.00 -0.00 0.00 -0.00 -0.02 0.03 0.03 -0.07 -0.08 -0.03 -0.05 0.09 -0.00 0.04 -0.04 0.00 0.04 0.02 0.00 0.01 0.03 -0.03 -0.01 -0.01 -0.01 -0.05 0.04 -0.00 0.01 -0.01 0.01 0.03 -0.03 0.02 0.03 -0.02 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 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 0.33 0.58 -0.09 -0.18 0.31 0.24 -0.00 -0.06 0.12 -0.07 -0.14 -0.19 0.06 -0.01 0.17 0.03 -0.13 0.09 -0.06 0.03 -0.12 -0.03 0.05 -0.13 -0.14 0.12 0.02 0.04 0.06 -0.01 -0.10 0.00 -0.01 0.07 -0.06 0.07 -0.12 -0.01 -0.06 -0.02 -0.08 -0.04 0.04 -0.05 -0.16 -0.07 -0.02 0.09 0.03 -0.01 -0.00 -0.05 -0.02 0.02 -0.01 0.01 -0.00 -0.00 0.02 -0.00 -0.01 -0.02 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.02 -0.02 -0.01 -0.02 0.03 0.00 0.01 -0.01 0.00 0.01 0.00 -0.01 -0.02 0.01 -0.01 -0.00 -0.00 0.08 0.15 0.03 0.00 0.00 -0.00 -0.05 -0.10 -0.02 -0.04 -0.10 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.10 0.20 -0.03 -0.05 0.10 0.08 -0.01 -0.03 0.03 -0.03 -0.04 -0.06 0.02 0.00 0.06 0.00 -0.03 0.02 -0.02 0.00 -0.03 -0.01 0.02 -0.04 -0.03 0.06 0.01 0.02 0.02 -0.00 0.39 -0.07 0.20 -0.29 0.30 -0.16 0.08 0.25 0.01 0.11 0.22 0.02 -0.10 0.14 0.35 0.21 0.07 -0.35 0.01 -0.00 0.00 -0.02 -0.01 0.01 -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 -0.04 -0.03 -0.01 -0.00 -0.00 -0.00 0.02 -0.03 0.01 0.01 0.01 0.00 -0.01 -0.00 0.01 0.02 0.02 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.06 0.03 0.03 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.11 -0.10 0.04 -0.09 -0.05 -0.04 -0.11 0.04 0.04 -0.15 0.18 -0.06 0.09 0.01 0.01 0.08 -0.09 0.01 0.08 -0.04 -0.01 -0.06 0.04 0.00 -0.01 -0.00 0.01 0.03 -0.01 -0.02 0.01 0.02 -0.02 0.02 0.03 0.03 -0.01 -0.01 -0.06 0.01 0.05 -0.03 0.02 0.03 0.01 0.03 -0.04 0.05 -0.00 -0.00 -0.00 0.03 0.56 -0.11 0.01 -0.01 0.02 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.00 0.03 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.23 -0.04 0.01 -0.17 -0.17 0.12 -0.15 0.13 -0.07 0.01 0.36 -0.07 -0.15 -0.22 -0.02 0.22 -0.13 -0.02 0.14 -0.06 -0.02 -0.06 0.05 -0.00 -0.10 0.06 0.01 -0.07 0.06 0.00 -0.02 -0.00 0.01 -0.01 -0.00 0.02 -0.00 0.00 -0.00 0.18 0.03 -0.03 -0.03 -0.02 -0.03 -0.08 -0.01 -0.00 -0.11 -0.00 0.02 -0.11 -0.01 0.02 0.02 -0.00 0.02 0.12 0.02 0.01 0.01 -0.00 0.00 -0.02 -0.02 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 -0.00 0.01 -0.00 0.09 0.19 -0.04 -0.16 -0.17 -0.09 0.17 0.23 0.28 0.23 -0.00 -0.09 0.05 -0.22 -0.34 0.23 0.04 -0.07 0.00 0.34 -0.23 0.21 -0.30 0.16 0.02 -0.00 0.01 -0.10 -0.10 -0.00 0.00 0.01 -0.01 -0.03 0.02 -0.03 0.01 0.00 0.01 0.01 0.00 -0.03 0.00 -0.01 0.02 0.01 -0.00 0.02 0.03 0.02 -0.02 0.05 0.03 -0.03 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.00 -0.03 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.05 0.03 0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 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 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.05 0.00 0.05 0.03 -0.03 0.04 0.03 -0.02 -0.07 0.08 -0.01 -0.03 -0.01 0.02 -0.00 -0.07 0.03 -0.11 0.20 -0.04 0.03 -0.17 0.06 0.00 0.01 -0.00 0.02 -0.00 0.00 0.02 0.03 0.02 0.03 0.01 -0.00 0.00 -0.02 -0.04 0.02 0.01 -0.01 0.00 0.04 -0.02 0.02 -0.04 0.02 0.00 -0.00 0.00 -0.05 0.07 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.13 0.03 -0.03 0.11 -0.03 -0.01 0.01 -0.11 0.03 0.01 -0.10 -0.00 0.02 0.04 -0.02 0.27 -0.13 -0.04 -0.12 0.20 -0.05 0.06 0.21 -0.00 0.64 -0.38 -0.07 0.01 0.15 -0.16 -0.09 -0.02 0.02 -0.03 -0.01 0.07 -0.00 -0.00 0.00 -0.07 -0.04 0.05 0.07 -0.03 0.01 -0.05 0.00 -0.06 0.04 0.05 -0.03 0.04 0.04 -0.01 -0.03 0.02 -0.03 0.24 0.06 -0.01 -0.01 0.01 0.00 -0.01 -0.02 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.00 0.01 0.01 -0.01 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 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.09 -0.09 0.01 -0.64 -0.31 -0.26 -0.08 -0.14 -0.02 -0.14 -0.11 -0.13 0.03 0.08 0.22 -0.08 -0.08 0.07 -0.04 -0.13 0.03 -0.10 0.15 -0.15 -0.13 0.05 -0.04 -0.18 -0.10 -0.03 0.02 -0.02 0.04 0.01 0.00 0.03 -0.04 0.03 -0.02 -0.01 0.01 0.04 -0.01 0.02 -0.03 -0.02 0.01 -0.04 0.07 0.02 -0.03 0.07 0.02 -0.03 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.02 -0.01 -0.00 -0.00 0.01 -0.01 0.04 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.05 -0.05 0.00 0.16 -0.06 0.11 -0.01 0.02 0.01 -0.03 0.03 -0.01 -0.05 0.04 0.02 -0.15 0.08 -0.11 -0.11 -0.04 0.01 -0.11 0.06 -0.07 0.00 0.01 -0.01 0.08 -0.04 -0.01 0.06 -0.04 0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.39 -0.39 0.15 0.04 -0.10 -0.03 0.05 0.02 0.18 0.03 -0.08 -0.14 0.07 -0.09 0.00 0.11 -0.08 0.04 -0.05 0.16 -0.18 0.06 -0.07 -0.05 -0.15 0.06 -0.12 0.07 0.03 0.01 0.09 -0.08 0.17 0.11 -0.05 0.18 -0.04 0.02 -0.03 -0.12 0.03 0.31 -0.08 0.12 -0.16 -0.13 0.02 -0.19 -0.07 -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 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.03 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.02 -0.01 0.11 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 0.02 -0.02 0.03 -0.07 -0.03 0.04 -0.03 0.02 0.00 -0.03 -0.07 -0.03 0.04 0.00 -0.02 0.03 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.02 -0.02 0.00 0.02 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.05 0.14 0.07 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.02 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.72 0.29 -0.27 -0.39 -0.11 0.17 0.05 -0.06 0.03 0.05 -0.07 -0.05 0.08 0.15 -0.07 -0.08 0.04 -0.01 -0.04 -0.00 0.01 0.01 -0.03 0.00 -0.02 0.01 0.00 0.01 -0.02 0.01 0.02 0.01 -0.01 0.01 0.00 0.02 0.00 0.00 -0.00 0.06 -0.00 0.12 0.06 -0.01 0.09 0.03 0.03 -0.05 -0.01 -0.01 -0.05 -0.04 -0.00 -0.04 -0.00 0.01 -0.07 -0.07 -0.03 0.00 0.09 -0.06 0.19 -0.00 0.00 0.00 -0.03 0.02 -0.07 -0.03 0.02 -0.08 -0.00 -0.00 0.00 0.01 -0.02 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.37 -0.11 0.08 -0.15 -0.08 -0.11 -0.01 -0.05 0.00 -0.02 -0.06 -0.11 0.02 -0.05 -0.04 -0.02 0.15 -0.11 0.04 0.11 -0.00 0.01 -0.02 0.09 -0.54 0.26 -0.11 0.03 0.07 0.00 -0.09 -0.00 -0.02 -0.05 0.07 -0.01 -0.23 0.12 -0.12 0.12 -0.02 -0.29 0.06 -0.09 0.01 0.10 0.00 0.03 0.00 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.02 0.03 -0.02 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.00 -0.00 0.01 -0.03 -0.01 0.01 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.05 -0.02 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.04 -0.09 0.21 0.02 -0.04 0.09 -0.01 0.04 -0.07 -0.02 0.04 -0.10 -0.01 0.03 -0.06 0.01 0.03 0.02 -0.02 -0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 0.01 -0.04 0.02 -0.01 0.26 -0.52 0.22 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.01 0.00 0.01 0.00 0.00 0.29 0.13 -0.13 -0.32 -0.13 0.17 -0.12 0.06 -0.06 -0.12 0.07 0.13 -0.17 -0.33 0.16 0.07 -0.06 0.01 0.10 0.00 -0.03 -0.01 0.05 -0.00 0.03 -0.02 -0.00 -0.01 0.03 -0.02 0.01 0.01 -0.01 0.01 0.01 0.01 0.00 0.00 -0.00 0.08 -0.07 0.23 0.02 0.02 -0.09 0.05 0.02 -0.03 -0.03 0.02 -0.07 -0.02 0.01 -0.07 0.02 -0.01 0.10 -0.04 -0.04 0.00 -0.08 0.05 -0.13 -0.00 0.00 0.00 0.01 -0.01 0.04 0.03 -0.02 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.60 0.04 -0.13 -0.29 0.14 -0.01 -0.05 -0.09 0.03 -0.04 -0.15 -0.24 0.07 -0.11 -0.04 -0.09 0.23 -0.15 0.04 0.12 -0.03 -0.07 0.09 0.02 0.16 -0.10 0.10 0.05 0.02 0.01 0.07 -0.01 0.04 0.05 -0.06 0.03 0.15 -0.08 0.07 -0.09 0.01 0.21 -0.02 0.06 0.02 -0.06 -0.02 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.04 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.09 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.16 -0.09 0.06 0.02 -0.01 0.03 -0.03 -0.03 0.01 -0.03 0.04 -0.01 0.01 -0.01 -0.01 -0.02 0.01 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -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 0.40 -0.24 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 0.45 0.03 -0.15 0.64 0.07 -0.13 0.02 0.03 -0.01 -0.02 0.03 0.01 0.01 -0.01 0.04 0.13 -0.03 -0.03 0.13 -0.05 -0.02 -0.00 -0.04 -0.00 -0.04 0.03 0.00 0.01 -0.03 0.02 0.02 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.21 0.08 0.02 -0.03 -0.07 0.01 -0.03 0.05 0.00 -0.07 -0.01 0.01 -0.06 -0.04 -0.01 0.00 -0.01 -0.04 -0.03 0.01 -0.00 0.00 -0.00 -0.01 -0.05 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.02 0.02 0.01 -0.02 0.01 0.00 -0.00 0.03 -0.01 0.01 -0.03 0.01 0.00 -0.00 0.00 0.02 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.47 -0.20 -0.05 -0.49 -0.17 -0.05 -0.00 0.08 -0.21 0.00 0.01 0.05 -0.12 0.07 -0.19 -0.05 0.07 -0.07 0.14 0.01 0.21 -0.03 0.03 0.23 0.09 -0.03 -0.00 0.19 0.24 -0.01 0.01 0.00 0.01 0.01 -0.01 0.00 0.01 -0.01 0.01 0.03 -0.01 -0.03 -0.02 0.01 -0.05 -0.02 0.02 -0.05 -0.00 -0.02 -0.00 0.08 0.06 -0.04 -0.02 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 -0.05 0.01 0.01 -0.10 0.03 0.02 -0.00 0.03 0.00 0.02 -0.01 0.00 -0.01 0.02 -0.02 -0.01 0.01 -0.02 -0.00 -0.00 0.01 0.00 0.02 -0.01 0.00 -0.07 -0.03 -0.01 0.01 0.03 0.00 0.01 -0.02 0.00 0.02 0.00 -0.00 0.02 0.01 0.00 -0.00 0.00 0.02 0.01 0.00 0.00 -0.00 0.00 0.03 -0.16 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.10 0.06 0.04 -0.07 0.03 -0.00 -0.01 0.09 -0.02 0.05 -0.09 0.02 0.01 -0.00 0.01 0.04 -0.03 -0.00 0.04 0.01 -0.02 -0.02 -0.02 0.01 -0.16 0.08 0.02 0.13 0.04 0.00 0.00 -0.02 0.07 0.00 0.00 -0.01 0.04 -0.02 0.07 0.02 -0.03 0.03 -0.05 -0.01 -0.07 0.02 -0.01 -0.08 -0.03 0.01 0.00 0.18 0.70 -0.14 -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 0.02 0.01 -0.01 0.02 0.13 -0.06 -0.07 0.37 0.18 -0.11 -0.07 0.02 -0.02 -0.02 0.02 0.02 -0.02 -0.02 -0.04 -0.16 0.01 0.04 -0.20 0.07 0.03 -0.01 0.08 -0.00 0.03 -0.03 0.00 -0.02 0.06 -0.05 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.05 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.00 0.03 0.04 -0.03 0.02 0.01 -0.01 0.02 -0.00 0.00 -0.01 -0.01 0.01 -0.09 -0.05 0.05 -0.04 0.04 -0.00 0.02 0.04 -0.02 0.02 -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 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.13 0.22 -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 0.04 0.03 -0.02 0.01 -0.06 0.02 0.02 -0.06 -0.00 -0.03 -0.02 0.00 0.13 -0.10 0.01 0.86 -0.18 -0.19 0.05 -0.13 0.01 -0.06 0.06 -0.01 0.06 -0.11 0.05 -0.00 0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 -0.05 0.10 -0.05 0.03 -0.03 -0.04 -0.01 -0.02 -0.01 0.03 -0.00 -0.00 0.00 -0.02 -0.02 0.02 -0.04 0.03 0.01 -0.01 0.01 -0.01 0.09 0.04 -0.00 -0.00 0.01 -0.00 -0.02 -0.01 0.00 0.01 -0.02 -0.00 0.00 -0.01 0.01 -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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.35 -0.31 0.01 0.26 0.25 0.12 -0.09 -0.07 -0.07 -0.01 -0.11 -0.14 0.06 -0.08 -0.08 -0.03 0.09 -0.05 0.02 0.07 -0.04 -0.07 0.07 -0.03 0.46 -0.24 0.00 -0.29 -0.04 -0.09 -0.08 -0.02 -0.00 -0.04 0.07 0.01 -0.09 0.05 -0.04 0.10 -0.03 -0.17 -0.01 -0.04 -0.15 0.04 0.06 -0.14 0.07 -0.02 -0.04 0.08 -0.00 0.01 -0.03 -0.00 -0.01 -0.01 -0.00 0.02 -0.02 -0.03 -0.00 -0.04 0.01 0.01 -0.05 0.01 0.01 -0.01 0.02 -0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.01 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.03 0.01 -0.02 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 0.03 -0.07 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.03 0.02 -0.00 0.03 -0.05 0.01 -0.03 0.11 -0.03 0.03 -0.05 0.01 -0.04 -0.02 0.01 0.00 0.01 -0.01 -0.05 -0.04 0.03 0.01 0.01 -0.01 0.05 -0.04 0.00 0.01 0.03 0.00 -0.02 -0.02 -0.00 0.00 -0.02 -0.03 0.03 -0.03 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.02 -0.00 0.00 -0.03 0.16 -0.08 0.00 0.43 0.09 0.13 -0.03 -0.01 -0.00 -0.01 0.03 0.00 -0.03 0.02 -0.02 0.03 -0.01 -0.05 -0.00 -0.02 -0.05 0.02 0.02 -0.05 -0.12 0.01 0.05 -0.14 0.01 -0.00 0.11 0.15 0.05 0.03 0.12 -0.15 0.14 0.17 -0.06 0.68 -0.13 -0.16 -0.05 -0.04 0.03 -0.04 -0.09 -0.01 0.01 0.01 -0.01 -0.01 -0.06 0.08 0.01 0.01 0.03 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.00 0.02 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.03 -0.01 -0.00 0.00 0.00 -0.03 0.08 -0.03 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.04 0.00 -0.00 -0.01 0.06 -0.03 0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.03 0.01 -0.00 0.07 -0.02 -0.04 -0.06 0.04 0.02 0.00 -0.01 -0.04 0.03 -0.00 0.01 -0.02 0.01 0.02 0.02 -0.00 -0.00 0.02 0.03 -0.03 0.02 0.01 0.00 -0.01 -0.00 0.02 0.00 0.03 -0.00 -0.00 0.03 -0.17 0.08 -0.00 -0.58 0.01 -0.20 0.03 0.01 -0.00 0.02 -0.03 -0.00 0.03 -0.02 0.02 -0.03 0.01 0.05 0.00 0.02 0.05 -0.02 -0.02 0.05 0.12 -0.05 -0.07 0.13 -0.01 0.05 -0.07 0.01 -0.02 -0.04 0.04 0.03 -0.00 -0.03 -0.01 0.61 -0.06 -0.16 -0.24 -0.01 0.09 -0.08 -0.06 -0.03 -0.04 0.02 0.01 -0.04 -0.01 0.10 0.01 0.00 0.03 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.03 0.01 0.02 -0.01 0.00 -0.02 -0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.02 -0.01 -0.01 0.00 0.00 -0.03 0.07 0.08 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.00 -0.00 -0.01 -0.13 0.03 -0.08 0.18 -0.03 0.05 -0.08 0.00 -0.04 -0.02 0.02 0.03 -0.10 0.03 0.05 0.04 -0.03 -0.03 -0.00 0.01 -0.00 -0.01 0.00 0.07 0.03 0.03 0.01 0.01 -0.01 -0.01 0.01 0.02 -0.02 0.02 -0.00 -0.00 0.01 -0.01 0.02 0.02 0.02 -0.01 0.01 0.03 -0.16 0.08 -0.01 -0.48 -0.27 -0.10 0.04 0.01 -0.00 0.02 -0.03 -0.01 0.03 -0.02 0.01 -0.03 0.01 0.05 0.00 0.02 0.05 -0.02 -0.02 0.05 0.09 -0.08 -0.06 0.04 -0.06 0.10 0.21 0.32 0.07 0.11 0.20 -0.29 0.19 0.24 -0.14 -0.20 -0.06 0.07 0.12 0.02 -0.06 0.07 0.06 0.03 0.05 -0.02 -0.00 0.03 0.01 -0.09 0.01 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.06 0.02 -0.01 -0.00 0.08 0.04 0.03 -0.01 -0.01 -0.01 -0.01 0.03 0.00 -0.02 0.01 -0.02 -0.06 -0.03 -0.00 -0.04 0.01 0.06 0.03 0.01 -0.00 0.03 -0.01 -0.01 -0.01 -0.00 0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.26 0.23 -0.03 -0.39 -0.21 -0.12 0.10 0.10 0.09 0.05 0.09 0.08 -0.03 0.04 0.13 0.03 -0.11 0.05 -0.06 -0.12 0.05 0.12 -0.11 0.01 0.43 -0.20 0.02 -0.17 -0.04 -0.05 -0.14 -0.05 0.02 -0.06 0.13 0.04 -0.07 0.03 -0.03 0.13 -0.04 -0.17 -0.00 -0.08 -0.25 0.09 0.10 -0.22 0.03 -0.04 -0.02 0.03 -0.02 0.04 0.02 0.05 0.01 0.01 0.03 -0.04 0.02 0.02 -0.02 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 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 -0.01 -0.01 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 -0.03 0.01 -0.12 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 -0.03 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.01 0.01 -0.01 0.02 -0.09 -0.07 -0.03 -0.04 -0.04 0.10 -0.01 -0.01 0.01 0.06 0.01 -0.02 -0.06 -0.02 0.03 0.50 -0.23 0.24 0.43 -0.11 -0.09 0.34 -0.43 -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.01 -0.01 0.06 0.00 -0.00 0.00 -0.10 0.06 -0.09 -0.00 0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.02 0.00 -0.04 -0.02 -0.01 -0.02 -0.00 -0.02 0.01 -0.02 -0.02 0.01 -0.01 -0.02 0.02 -0.06 0.02 -0.02 -0.06 0.05 0.07 -0.05 0.02 0.15 -0.07 -0.01 -0.01 0.00 -0.00 0.45 0.02 0.38 0.25 -0.43 0.33 0.42 -0.21 0.06 -0.00 0.00 -0.02 0.01 0.00 0.02 0.00 -0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 0.00 0.01 0.01 -0.02 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 -0.01 -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 0.04 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.11 0.02 -0.04 0.10 -0.02 0.03 -0.04 0.00 0.05 0.12 -0.05 0.01 -0.03 0.01 -0.00 0.01 -0.00 0.02 -0.01 -0.00 -0.02 0.00 -0.00 0.01 0.01 0.00 0.03 0.02 0.03 0.01 0.03 0.02 -0.01 0.01 0.04 0.00 -0.03 0.01 -0.00 -0.02 0.03 0.03 -0.02 0.03 0.00 -0.00 0.00 -0.05 -0.07 0.00 0.02 0.00 0.01 0.01 -0.02 0.01 0.02 -0.01 0.00 0.02 -0.01 -0.03 0.00 -0.02 -0.05 0.03 0.02 -0.04 -0.00 -0.06 -0.01 -0.01 -0.03 0.06 -0.39 -0.51 -0.15 -0.21 -0.29 0.53 -0.12 -0.07 0.11 0.14 -0.06 -0.02 0.03 -0.00 -0.01 -0.09 0.03 -0.04 -0.06 0.01 0.01 -0.06 0.07 0.05 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.05 0.01 -0.00 0.00 0.04 0.02 0.02 0.02 0.03 0.08 0.02 -0.03 0.05 -0.01 0.01 -0.02 -0.03 -0.01 0.00 -0.02 0.00 0.06 0.01 0.01 -0.00 0.02 -0.01 -0.01 0.04 -0.01 -0.10 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 0.10 -0.00 -0.19 -0.12 -0.06 -0.17 -0.06 -0.23 -0.02 -0.20 -0.16 0.04 -0.05 -0.29 -0.04 0.18 -0.04 -0.01 0.10 -0.19 -0.12 0.08 -0.15 0.25 -0.11 -0.00 -0.06 -0.02 -0.01 -0.11 -0.04 0.02 -0.04 0.10 0.04 -0.05 0.02 -0.03 -0.16 0.05 0.19 -0.03 0.22 0.36 -0.23 -0.18 0.31 0.01 -0.03 -0.01 0.01 -0.02 0.03 -0.04 -0.05 -0.01 -0.02 -0.02 0.05 -0.01 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.05 -0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.02 -0.02 -0.05 -0.03 0.07 -0.07 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.04 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.03 -0.00 -0.08 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.10 -0.09 -0.01 0.02 0.06 0.02 0.12 0.05 0.16 0.04 0.14 0.10 -0.02 0.03 0.22 0.07 -0.32 0.09 -0.04 -0.24 0.31 0.25 -0.19 0.23 0.14 -0.07 -0.00 0.01 0.00 0.00 -0.09 -0.02 -0.03 -0.05 0.09 -0.01 -0.06 0.04 -0.02 -0.15 0.04 0.17 -0.03 0.20 0.33 -0.21 -0.16 0.28 -0.00 0.01 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 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.01 -0.00 -0.01 -0.00 -0.00 -0.02 -0.05 -0.09 0.02 -0.07 0.05 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.03 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.04 -0.00 -0.00 -0.00 -0.00 0.28 0.18 0.29 0.07 0.28 0.23 -0.11 0.13 0.42 -0.07 0.29 -0.10 0.07 0.26 -0.26 -0.26 0.21 -0.17 0.13 -0.07 -0.00 0.01 0.00 0.00 0.01 -0.01 0.05 0.01 -0.01 0.05 0.03 -0.02 -0.00 -0.03 0.01 0.03 -0.02 0.07 0.09 -0.07 -0.05 0.07 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.08 0.04 -0.01 -0.00 0.00 -0.01 0.02 -0.00 0.01 -0.02 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.01 -0.00 -0.10 -0.01 -0.04 -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 0.01 -0.00 -0.00 -0.00 -0.00 -0.04 0.67 0.16 -0.20 0.29 -0.60 -0.07 0.02 -0.02 -0.03 0.00 0.04 0.02 0.02 -0.04 0.02 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 0.09 0.01 0.13 -0.07 0.01 -0.12 -0.06 -0.03 0.03 -0.03 0.01 -0.01 -0.02 -0.01 0.01 0.01 -0.02 0.05 0.03 0.00 -0.06 0.02 0.04 -0.02 -0.01 0.00 0.02 -0.01 -0.03 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.44 0.19 -0.03 0.39 0.12 0.09 0.08 0.15 -0.09 -0.14 -0.15 -0.07 -0.20 0.23 -0.10 0.04 -0.11 0.02 0.09 0.09 0.10 -0.04 0.05 0.13 0.16 -0.08 -0.02 0.06 0.02 0.02 -0.23 -0.10 0.15 -0.08 0.21 0.23 0.16 -0.05 0.02 0.05 -0.01 -0.06 -0.05 0.08 -0.06 -0.07 -0.00 -0.05 -0.01 -0.04 -0.00 0.01 -0.01 0.03 0.04 -0.02 0.01 0.01 0.00 -0.02 -0.01 -0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.01 0.00 -0.02 -0.04 0.01 0.01 0.01 -0.01 0.00 -0.03 0.03 -0.04 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 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 -0.01 -0.00 0.00 0.00 -0.04 0.04 -0.02 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 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 0.01 -0.01 0.02 -0.04 0.49 -0.43 0.16 0.04 0.19 -0.19 -0.08 -0.11 0.64 0.04 -0.01 -0.00 -0.04 0.01 0.01 0.06 0.06 0.01 -0.04 0.02 0.03 0.03 0.00 -0.06 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.01 -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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.02 0.01 0.00 0.01 0.02 0.02 0.05 -0.02 0.49 -0.12 0.19 0.25 0.64 0.07 -0.43 0.19 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.04 -0.01 0.01 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.08 -0.37 0.02 0.00 0.40 0.26 0.51 0.06 -0.19 -0.38 -0.05 0.14 -0.14 0.22 -0.16 0.07 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.04 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.05 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.01 0.05 -0.05 0.01 -0.02 0.07 -0.01 0.02 0.01 0.09 -0.15 0.03 0.03 0.01 0.01 -0.01 -0.42 -0.39 -0.08 0.49 -0.11 -0.08 -0.22 -0.20 0.52 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.03 -0.01 0.00 0.00 0.00 -0.01 -0.02 -0.01 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.01 0.00 -0.01 -0.00 -0.00 -0.02 -0.03 -0.01 0.04 0.03 0.01 0.04 -0.05 0.02 -0.02 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.01 0.02 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.07 0.04 -0.25 0.00 0.04 0.34 0.23 0.34 0.05 0.21 0.51 0.10 -0.14 0.11 -0.31 0.26 -0.09 0.34 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.03 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 0.03 -0.00 0.02 0.01 0.00 0.08 0.04 0.08 -0.20 -0.08 -0.00 -0.13 0.15 -0.11 0.12 0.07 -0.05 -0.01 -0.05 0.06 0.04 -0.06 -0.14 0.03 -0.01 -0.00 0.00 0.00 0.00 0.29 0.12 -0.24 0.13 -0.26 -0.15 -0.19 0.20 -0.03 0.25 0.01 -0.26 -0.24 0.38 -0.07 -0.37 -0.07 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.03 0.00 0.01 0.03 -0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.07 0.04 -0.00 0.04 0.00 0.00 -0.10 0.09 -0.30 0.48 0.07 -0.10 0.17 -0.20 0.26 -0.38 -0.12 0.12 -0.06 0.02 -0.24 0.00 0.06 0.33 -0.02 0.01 -0.00 0.01 0.00 0.00 0.07 0.02 -0.03 0.03 -0.06 -0.04 -0.05 0.02 -0.01 0.12 -0.05 -0.15 -0.11 0.19 -0.02 -0.22 -0.02 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.02 0.01 0.02 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.02 0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.03 0.02 0.01 0.02 0.01 -0.03 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 0.02 -0.02 0.01 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -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 0.04 0.04 0.02 0.17 0.37 -0.17 0.06 -0.21 -0.21 -0.23 0.27 0.07 -0.21 0.16 -0.01 -0.20 -0.23 -0.18 0.18 -0.16 -0.04 0.07 -0.03 0.01 0.00 0.00 0.00 0.16 0.07 -0.13 0.07 -0.14 -0.12 -0.14 0.10 -0.03 -0.13 0.07 0.18 0.13 -0.21 0.01 0.26 0.02 0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.03 0.04 0.02 0.03 0.03 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 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.02 -0.00 -0.01 0.05 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.06 -0.02 -0.01 0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 0.05 -0.03 0.00 -0.01 0.00 0.00 0.01 -0.01 0.03 -0.05 -0.00 0.01 -0.02 0.02 -0.03 -0.03 0.09 -0.03 -0.07 -0.09 -0.04 0.07 -0.07 -0.06 -0.07 0.03 -0.00 -0.00 0.01 0.00 -0.11 -0.04 0.08 -0.05 0.10 0.08 0.10 -0.06 0.02 0.05 -0.02 -0.06 -0.05 0.07 -0.01 -0.09 -0.01 -0.02 -0.00 -0.02 -0.00 0.01 -0.01 0.02 -0.19 -0.09 -0.07 -0.36 0.50 0.22 0.43 0.37 0.22 -0.07 0.01 0.01 0.04 -0.01 -0.02 0.03 0.03 0.00 -0.05 0.01 0.01 0.02 0.02 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.03 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.02 -0.03 -0.03 0.02 -0.00 0.00 0.00 0.00 -0.01 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.01 0.01 -0.03 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.12 0.08 -0.01 0.02 -0.01 -0.00 -0.05 -0.09 0.03 -0.01 0.04 0.05 0.06 -0.06 -0.02 0.12 -0.27 0.07 0.23 0.31 0.15 -0.21 0.23 0.19 0.17 -0.09 0.01 0.00 0.00 0.00 0.26 0.10 -0.18 0.11 -0.23 -0.19 -0.24 0.14 -0.05 -0.11 0.04 0.14 0.10 -0.16 0.02 0.19 0.02 0.04 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.07 -0.03 -0.03 -0.13 0.18 0.08 0.16 0.13 0.08 -0.02 0.00 0.00 0.02 -0.00 -0.01 0.01 0.01 0.00 -0.02 0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.01 0.01 -0.03 -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 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.02 0.01 0.01 -0.04 0.18 -0.32 0.42 -0.01 -0.15 0.08 -0.08 0.26 0.50 0.11 -0.15 0.11 -0.01 0.35 -0.04 -0.04 -0.39 -0.02 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.02 0.01 0.02 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.10 -0.02 -0.06 0.04 0.01 0.05 0.03 0.01 0.00 -0.01 0.03 -0.01 0.00 -0.03 0.02 -0.01 0.01 -0.01 -0.01 -0.00 0.02 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.14 -0.06 0.02 -0.10 -0.02 -0.03 0.20 0.38 -0.09 -0.02 -0.28 -0.25 -0.26 0.31 0.03 0.05 -0.30 0.10 0.18 0.29 0.07 -0.19 0.23 0.20 -0.14 0.07 0.00 -0.01 -0.00 -0.00 -0.10 -0.03 0.06 -0.04 0.08 0.07 0.11 -0.06 0.02 0.05 -0.02 -0.06 -0.04 0.06 -0.00 -0.07 -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 0.01 -0.11 -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 -0.01 -0.00 0.00 0.00 -0.05 -0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.39 0.14 -0.14 -0.39 -0.06 0.11 0.21 0.09 -0.06 -0.04 -0.07 0.02 -0.10 -0.03 0.05 0.23 0.00 -0.07 -0.04 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.14 -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 -0.02 -0.02 0.01 0.02 -0.02 0.02 -0.25 -0.07 -0.05 -0.18 -0.01 0.21 0.25 0.26 -0.11 -0.06 -0.07 0.03 -0.28 0.15 0.03 -0.11 -0.02 -0.01 0.16 -0.05 -0.03 -0.09 0.02 0.08 0.03 0.00 0.02 0.00 -0.02 0.22 -0.31 -0.24 0.11 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.02 -0.01 0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.05 0.01 -0.35 -0.03 0.01 0.01 -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.02 0.02 -0.23 -0.11 0.09 0.18 0.01 -0.05 0.49 0.39 -0.16 0.03 0.04 -0.02 0.00 0.02 -0.01 -0.03 -0.00 0.01 0.00 -0.01 0.00 0.01 0.00 -0.01 0.07 0.04 0.07 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.04 -0.02 -0.03 0.01 -0.00 -0.00 0.00 0.02 -0.01 0.04 -0.02 0.01 -0.01 0.15 -0.05 0.03 0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.03 -0.00 -0.00 0.17 0.04 -0.05 0.09 0.08 0.01 0.06 0.07 -0.09 -0.08 -0.09 0.04 -0.03 0.02 0.01 -0.02 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.02 -0.00 -0.04 -0.00 0.03 -0.44 -0.16 -0.13 0.06 -0.02 -0.02 0.01 0.01 -0.02 0.01 -0.03 0.02 -0.09 0.01 0.01 -0.01 0.00 0.00 0.00 -0.06 0.03 0.01 0.08 -0.03 0.70 0.06 -0.03 -0.02 0.01 0.00 0.02 -0.01 0.00 -0.00 -0.01 0.00 0.01 -0.03 -0.01 -0.00 -0.11 -0.06 0.04 0.08 0.01 -0.02 0.26 0.20 -0.09 0.01 0.02 -0.01 0.01 0.01 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 0.02 -0.14 -0.09 -0.15 0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 0.02 0.08 0.03 0.05 -0.02 0.00 0.00 -0.01 -0.03 0.02 -0.07 0.05 -0.03 0.02 -0.04 -0.04 0.04 -0.02 -0.00 0.01 -0.02 0.02 0.00 0.03 -0.02 0.00 0.02 -0.01 -0.03 -0.01 0.02 0.02 -0.02 -0.00 0.01 0.04 0.02 -0.02 0.06 0.00 -0.00 0.03 0.04 0.00 0.02 0.04 -0.03 -0.03 -0.02 0.01 -0.03 0.01 0.01 -0.01 0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.10 0.05 -0.04 -0.20 -0.00 0.05 0.06 0.02 -0.02 -0.01 -0.01 0.01 0.42 0.01 -0.14 -0.38 -0.02 0.13 0.05 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 -0.01 -0.05 -0.03 -0.01 -0.04 -0.01 0.05 0.05 0.05 -0.02 -0.47 0.23 0.04 0.37 -0.26 -0.02 0.16 0.01 0.03 -0.17 0.06 0.04 0.12 -0.05 -0.11 0.00 0.00 0.00 0.00 -0.00 0.04 0.00 0.00 -0.00 0.01 0.01 -0.00 0.09 -0.04 0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.42 0.18 0.12 -0.01 0.00 -0.06 0.42 -0.18 -0.18 -0.00 -0.00 -0.00 -0.04 0.02 -0.00 -0.04 0.01 0.04 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.23 0.12 -0.02 0.01 0.01 0.02 -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 0.01 -0.01 0.01 0.32 -0.19 0.21 0.01 0.00 -0.00 -0.19 -0.01 -0.03 -0.11 0.15 -0.01 0.18 -0.09 0.05 0.13 -0.04 -0.21 -0.07 0.13 0.15 -0.16 -0.05 0.12 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 -0.02 0.01 -0.01 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 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.10 0.59 0.17 -0.53 -0.32 0.07 0.11 -0.01 -0.37 -0.07 0.04 -0.05 0.15 0.09 -0.02 0.03 -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 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.05 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.18 0.09 0.60 0.10 0.39 -0.19 -0.48 -0.26 -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 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.03 -0.01 -0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -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 -0.02 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.03 0.17 0.05 -0.15 -0.09 0.02 0.03 -0.00 -0.10 0.23 -0.13 0.17 -0.54 -0.33 0.09 -0.09 0.61 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 -0.01 -0.02 -0.02 -0.01 0.04 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.30 0.19 0.13 0.06 -0.18 0.16 0.33 0.27 -0.04 0.05 0.12 0.25 0.46 -0.24 -0.18 -0.35 -0.33 0.05 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.03 0.01 -0.03 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.38 0.24 0.16 0.08 -0.23 0.21 0.41 0.34 -0.05 -0.04 -0.09 -0.20 -0.36 0.19 0.14 0.27 0.26 -0.04 0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.02 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 0.03 -0.02 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 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.02 -0.01 -0.01 -0.02 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.21 0.03 0.65 -0.49 -0.18 -0.36 0.26 -0.24 -0.03 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.01 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 -0.13 0.65 0.19 0.61 0.34 -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.10 -0.05 0.02 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 0.00 -0.00 -0.00 -0.00 -0.00 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 -0.04 -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 -0.02 0.10 0.03 0.10 0.05 -0.01 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.61 0.34 -0.11 -0.12 0.64 0.22 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.08 -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 -0.23 0.10 0.66 -0.01 -0.01 -0.02 0.55 0.28 0.33 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -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 -0.05 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 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.31 -0.12 0.80 0.02 -0.43 -0.26 -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 -0.02 -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 -0.03 -0.02 -0.08 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.01 0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.09 -0.05 -0.04 0.09 0.09 -0.01 -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 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.22 0.02 0.63 0.57 0.21 0.38 -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 0.03 0.00 -0.01 -0.08 -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.20 0.13 0.08 0.01 -0.01 0.01 -0.17 -0.15 0.02 -0.02 -0.01 -0.02 0.51 -0.28 -0.20 0.48 0.48 -0.06 -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 0.04 -0.00 -0.11 -0.10 -0.04 -0.07 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.08 -0.01 0.03 -0.03 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.54 -0.36 -0.23 -0.03 0.02 -0.02 0.48 0.41 -0.05 -0.01 -0.00 -0.00 0.19 -0.10 -0.07 0.18 0.18 -0.02 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.08 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 -0.26 0.22 0.92 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 0.01 -0.07 0.01 -0.14 -0.08 -0.01 0.00 0.03 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.00 -0.04 -0.07 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 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 -0.09 0.04 0.08 -0.06 -0.29 0.19 0.79 -0.37 0.23 0.11 0.16 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.05 -0.00 0.00 0.00 -0.04 0.26 0.06 -0.23 -0.14 0.02 -0.24 0.01 0.89 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.08 0.04 -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 -0.01 -0.00 -0.01 0.03 -0.23 0.13 0.11 -0.22 0.63 -0.61 0.21 0.15 -0.02 0.00 0.01 0.02 -0.01 0.00 0.00 0.01 0.01 -0.00 -0.02 -0.01 0.16 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.02 0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 0.04 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.11 -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 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.67 -0.39 0.53 0.17 0.12 -0.04 0.02 -0.20 -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 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.06 -0.07 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.04 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 0.18 -0.08 0.44 -0.05 0.74 0.42 -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 -0.01 -0.05 -0.07 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.17 0.37 0.84 -0.21 0.10 0.07 0.18 0.16 -0.04 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.02 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 0.04 0.01 -0.01 -0.05 0.02 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.05 -0.00 -0.17 0.13 0.06 0.10 0.48 -0.46 -0.05 0.08 0.64 -0.26 -0.01 -0.07 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.05 -0.03 -0.01 -0.01 -0.05 0.02 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.04 0.00 0.16 -0.11 -0.05 -0.09 -0.47 0.45 0.05 0.08 0.65 -0.27 -0.02 -0.10 0.04 -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 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.17 0.00 0.01 -0.02 0.02 -0.01 -0.01 0.04 -0.11 0.10 -0.03 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.10 -0.06 0.96 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.05 -0.03 0.02 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.03 0.03 0.00 0.00 0.04 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.08 -0.00 -0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -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 -0.05 0.04 0.94 0.02 0.11 -0.24 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.04 -0.01 0.00 0.00 0.01 0.01 -0.00 -0.02 -0.01 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.08 -0.04 0.06 0.01 0.01 -0.00 0.00 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.03 -0.08 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.26 -0.09 -0.38 0.88 0.01 -0.00 -0.00 0.01 -0.03 0.03 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.06 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.01 -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 -0.01 0.01 0.00 0.02 0.12 -0.05 0.14 0.89 -0.39 0.01 -0.01 -0.03 0.01 0.07 -0.03 0.03 0.01 0.02 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 302.18819 0.99995 -0.01009 0.00106 0.01009 0.99995 0.00242 -0.00109 -0.0024 1.0 asymmetric 1 0.03221 0.00482 0.00453 0.67117 0.10046 0.09440 1065728.0 18.57 23.43 43.58 53.29 61.37 91.72 117.82 122.57 143.07 185.57 196.87 200.71 205.17 227.92 239.51 260.81 275.41 285.24 306.09 329.80 355.68 404.16 418.85 441.90 447.28 482.09 503.55 511.08 532.10 571.95 617.52 632.05 661.10 688.08 733.80 757.96 793.37 823.40 880.06 905.90 943.99 1019.51 1051.57 1087.71 1126.14 1191.96 1198.45 1206.38 1241.18 1263.91 1332.45 1341.05 1368.17 1388.59 1400.21 1405.81 1418.55 1436.14 1444.10 1454.11 1481.49 1489.68 1505.16 1527.48 1530.07 1543.44 1561.30 1576.53 1579.52 1591.54 1620.78 1632.91 1665.32 1681.11 1708.48 1738.15 1748.13 1811.29 1832.87 1886.42 1890.89 1900.75 1936.21 1951.73 1954.93 1966.99 2002.04 2014.51 2020.71 2022.75 2027.35 2029.07 2037.66 2055.90 2084.23 2087.85 2094.33 2094.60 2110.26 2115.35 2116.64 2118.73 2123.24 2127.44 2128.50 2140.02 2152.35 2337.93 2417.03 2425.30 2447.84 2465.50 4320.99 4328.30 4332.33 4344.47 4349.94 4354.22 4382.25 4388.66 4390.72 4408.05 4419.84 4422.46 4427.15 4444.28 4447.18 4451.74 4474.09 4481.27 4485.82 4491.77 4504.15 4515.29 4515.69 4552.59 4568.26 4573.06 0.405914 0.430904 0.431849 0.348325 -965.240634 -965.215644 -965.214700 -965.298223 270.397 91.513 175.790 0.000 0.000 0.000 0.889 2.981 43.014 0.889 2.981 35.178 268.619 85.551 97.598 1 0.593 1.987 7.504 2 0.593 1.986 7.042 3 0.594 1.984 5.810 4 0.594 1.982 5.412 5 0.595 1.980 5.132 6 0.597 1.972 4.338 7 0.600 1.962 3.845 8 0.601 1.959 3.768 9 0.604 1.950 3.465 10 0.611 1.924 2.961 11 0.614 1.917 2.848 12 0.615 1.914 2.811 13 0.616 1.911 2.769 14 0.621 1.893 2.569 15 0.624 1.884 2.475 16 0.630 1.865 2.315 17 0.634 1.852 2.214 18 0.637 1.842 2.149 19 0.644 1.821 2.020 20 0.652 1.796 1.885 21 0.661 1.767 1.750 22 0.681 1.709 1.528 23 0.687 1.690 1.467 24 0.697 1.660 1.378 25 0.700 1.653 1.358 26 0.716 1.605 1.236 27 0.727 1.575 1.166 28 0.731 1.565 1.143 29 0.742 1.534 1.080 30 0.764 1.475 0.972 31 0.791 1.407 0.861 32 0.799 1.384 0.829 33 0.817 1.340 0.768 34 0.835 1.298 0.715 35 0.865 1.228 0.634 36 0.882 1.191 0.594 37 0.907 1.137 0.541 38 0.928 1.091 0.500 39 0.971 1.007 0.430 0.308520e+27 26.489283 60.993828 0.137359e+12 11.137858 25.645865 0.100000e+01 0.000000 0.000000 0.206476e+09 8.314870 19.145696 0.108781e+08 7.036555 16.202267 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.9709 4.2640 0.7994 5.8812 -136.8878 -135.6995 -137.1000 -21.0570 7.8656 2.1631 -0.3254 0.8629 -0.5375 -21.0570 7.8656 2.1631 114.5532 21.9934 12.2702 37.6962 101.9094 -15.9269 3.7755 -3.4314 -13.8529 -9.5013 -12962.1842 -1701.1435 -787.2778 -694.1986 -83.6279 -118.9288 27.4195 15.1427 -10.5846 -2730.1386 -2384.3054 -407.5816 54.6507 40.4891 1.9532 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -965.6465483 3.451E-9 3.133E-6 0.4059143 0.4309043 -965.2156439 -965.2146998 -965.2982234 -0.8537861,1.0072983,-0.1535122,-16.0553389,4.5702589,1.6264354 C01 [X(C19H26O3)] 1.5958453 1.614612 0.4474076 -2.8257926 -0.6596281 0.4215112 -0.6879976 -0.6615999 0.1853083 0.1110102 0.1444541 -0.8219949 -1.1090331 -0.1557539 -0.0627161 -0.1565721 -0.5813837 0.1726947 0.1027072 0.1302141 -1.8834108 -1.7474436 -0.8435062 0.3141641 -0.8100049 -1.5263404 0.2896272 0.3277094 0.2777676 -0.6405285 0.8119405 0.1968812 0.1267307 0.2847956 0.3239534 0.0818129 -0.3761014 -0.0272901 0.2205247 -0.0131164 0.1698521 0.1050111 0.6259446 0.1998774 0.0555757 0.1203245 -0.0590514 -0.0597617 -1.1712978 -0.4022828 -0.3661643 -0.8335236 -0.3554328 -0.240873 -0.4608894 -0.0597733 -0.1520398 0.025966 0.0114213 -0.0675132 -0.0403496 0.0283936 0.0020765 -0.0150772 0.0962741 0.0371853 0.0230627 -0.0280397 -0.054583 -0.0435472 0.0449052 0.0094908 0.00974 -0.0618282 -0.0544837 0.0094261 -0.232614 -0.0303929 -0.2977909 -0.2537301 -0.0556377 0.3014332 -0.1694944 -0.0377305 3.0572667 0.8946194 -0.1023188 0.9238687 0.639253 -0.3338473 -0.1548983 -0.2017239 2.4133294 0.273002 -0.2515862 -0.1103214 -0.2423653 -0.1281512 -0.0784584 -0.2481297 -0.0288593 0.3762726 1.4987994 0.1735353 0.0319943 0.0289303 0.3581621 0.0545176 0.8244791 0.136419 0.3150958 -0.0007515 0.1112805 -0.0600895 0.1075767 0.1371517 0.0751138 0.0475543 0.022911 0.0063348 0.010013 0.0758457 0.0558047 0.085465 0.1435737 0.0304608 -0.0012528 0.060517 -0.1032618 -0.5871819 0.1055501 0.030514 0.2037939 -0.1019424 0.0550218 -0.0782858 0.1442345 0.0640543 0.4316853 0.5686836 -0.2785033 0.5904368 0.4538323 -0.2596329 -0.4638523 -0.2897632 0.0464293 0.0098611 -0.4764004 0.0603861 -0.8762964 -1.0433201 0.4087874 0.0870882 0.306394 -0.0708857 1.8610248 0.7598028 -0.3030902 1.0446032 2.255321 -0.5268332 -0.3916766 -0.4699071 0.4403791 -0.2259003 -0.2297438 0.0893076 -0.0948492 -0.2149314 0.0703282 0.1766887 0.1245991 -0.0013674 -0.3575726 -0.0108061 0.0188695 -0.0875841 0.1087199 -0.0831888 0.119948 -0.1114806 -0.2364366 0.5282781 -0.1106707 -0.2255408 -0.1180796 0.0951962 -0.0626621 -0.2186995 -0.0680209 -0.1836557 -0.2791248 0.114684 0.0920659 0.0309466 0.0840746 0.0003802 0.1116013 -0.0202494 0.0975772 0.0060274 0.0491153 0.0037144 0.0331821 0.0896564 0.006307 0.0192466 0.0156673 -0.0795154 -0.0039379 -0.0599685 -0.039204 -0.0226786 0.0891971 0.0947718 0.0304324 0.0771932 -0.0144301 -0.0894656 0.13158 0.1084448 0.1080344 0.0045008 -0.0949169 0.0660095 -0.1097807 0.0040046 0.0988508 0.0265224 -0.0575563 0.0513094 -0.0675267 0.1310188 -0.0611821 0.0772461 -0.0389264 -0.0861458 -0.1850818 -0.0316329 -0.1596305 -0.0428304 -0.0403722 -0.0109935 -0.0402487 0.0156017 0.1032263 0.0317422 -0.0452119 0.0076199 0.0645083 -0.0628387 -0.0648107 -0.0151585 -0.1193125 -0.1315521 0.1759848 0.0795622 0.1404673 -0.0379531 -0.0130165 0.0888448 -0.0068387 0.0449459 -0.0627044 -0.158447 0.0103244 -0.1293923 -0.1172649 0.0272182 -0.0055158 0.0473393 0.1101323 0.0478234 0.0682344 0.0335983 0.0683037 0.1682762 0.0530883 0.0189482 0.0567034 -0.1449644 -0.1288736 -0.0018629 0.0895391 0.1034445 0.0926791 -0.0351581 -0.1374178 -0.0367154 0.012425 0.0142422 0.063716 -0.0064199 0.1601009 -0.1781518 -0.0834055 -0.0495363 -0.0901049 0.0465568 -0.2242363 -0.0416329 0.006103 -0.1186385 0.0158678 0.0227274 -0.0394308 0.0714528 0.0938206 0.0407498 0.0141658 0.0893713 0.0305078 0.0859246 0.0138909 0.0060986 0.0556592 -0.1909159 -0.0305775 0.0967499 -0.1210317 0.0874988 0.0453592 0.0875003 -0.066141 0.0606347 -0.0319012 -0.1477193 -0.1045241 0.0609838 -0.1521471 0.0592028 0.0492589 0.0735319 -0.0349191 0.0220514 0.0976584 0.0383434 0.02534 0.0676011 -0.1413823 -0.1239686 0.1200438 -0.0905353 -0.0203239 0.0869162 0.0266826 -0.0420718 0.0023402 0.0972383 0.015951 -0.015344 0.0371193 -0.0043993 0.0770768 -0.0102094 0.0131032 -0.0253078 -0.0559293 -0.0605597 0.0372754 -0.1207354 0.0689732 0.1287202 0.0139702 0.0580162 -0.1351477 0.0175151 0.0233985 0.1112514 0.02002 -0.0709743 -0.0017237 -0.0213123 -0.095263 -0.1237928 0.0315698 0.0448995 -0.1157209 -0.0265496 0.0613519 -0.0095876 0.1298812 0.0248577 0.062758 -0.0533774 0.0088631 0.0318934 -0.0139062 0.1139541 0.0470555 0.0066409 0.0493488 0.0364431 -0.1179758 0.077591 0.0252683 0.0839427 0.1660583 0.0739922 0.0006797 0.0413097 -0.0017031 -0.0172553 0.0761351 0.0383145 0.0714212 0.1766464 0.0030943 0.0370753 0.0809377 0.1707053 0.0747841 -0.0332402 0.1081948 -0.0225486 -0.1298551 0.0239662 -0.0794933 0.0487262 0.0384609 -0.1470129 0.0608704 0.015981 0.0970629 0.073384 -0.1559866 -0.029676 -0.0700149 0.0622601 0.0347984 -0.0960764 -0.1566631 -0.0397638 0.063987 464.1455535|4.1752767|320.9821025|-43.9900185|-6.7162383|287.4565093 0.000004995 0.000006316 0.000006745 0.000000562 0.000000311 0.000008704 -0.000000111 -0.000000900 -0.000000954 0.000006179 -0.000000017 0.000001809 0.000004693 0.000002645 0.000002320 -0.000010100 -0.000005489 -0.000002840 -0.000001490 -0.000003148 -0.000002688 -0.000002163 -0.000002690 0.000002328 -0.000001949 0.000000752 -0.000001618 0.000006183 0.000004778 -0.000009234 -0.000000415 -0.000001364 -0.000000543 -0.000014737 -0.000003480 -0.000009541 -0.000000023 -0.000000054 -0.000002686 0.000000862 0.000001854 -0.000000046 -0.000000087 0.000000209 0.000000076 0.000007707 0.000000173 -0.000002026 -0.000003208 -0.000012745 0.000002554 0.000001612 0.000007824 -0.000002532 -0.000000057 -0.000001070 0.000000508 -0.000001618 0.000002349 0.000001615 -0.000000008 -0.000000668 -0.000001750 0.000000313 -0.000001943 0.000001045 -0.000001570 0.000002259 0.000000066 0.000001908 -0.000000415 -0.000000319 0.000000733 -0.000002113 0.000002412 -0.000000088 -0.000000280 0.000000838 -0.000000794 -0.000001033 0.000002931 0.000001093 0.000002265 0.000001893 0.000000133 0.000000111 0.000001457 -0.000001172 0.000000952 0.000002629 0.000000838 -0.000000066 -0.000001192 0.000001784 0.000002376 0.000000797 0.000000162 0.000000967 -0.000001414 -0.000000410 -0.000000862 -0.000000568 0.000000692 -0.000001036 -0.000002044 0.000000435 0.000001639 -0.000000347 -0.000000977 0.000001389 -0.000000430 -0.000000072 0.000002803 -0.000001253 -0.000000099 -0.000001810 -0.000003225 -0.000000296 0.000000993 -0.000003014 -0.000000091 0.000001571 0.000002159 -0.000000750 0.000000573 0.000001701 0.000001913 0.000000651 0.000000688 -0.000000284 -0.000001279 0.000002714 0.000000137 -0.000000679 -0.000000812 -0.000000234 -0.000001450 -0.000000141 -0.000000576 -0.000001357 0.000002027 0.000000446 0.000000185 0.000001203 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2297,-.638,.1529;.8978,.0356,-1.693;-4.5776,-2.293,.3712;2.6492,1.4443,.5539;3.3909,.2801,-.0581;1.9654,.0694,.4608;2.9913,1.9154,1.9546;2.2059,2.569,-.361;4.5125,-.4149,.6125;.8678,-.1663,-.491;5.6382,-.866,.0357;-1.4428,-.883,-.6141;6.697,-1.564,.8512;5.9716,-.738,-1.4278;-2.1963,-2.0709,-.0326;-2.3935,.2872,-.4971;-3.6388,-.1091,-.1142;-3.6194,-1.5715,.1139;-1.9156,1.656,-.8262;-4.8071,.7549,.0181;-6.0105,.4105,.5037;-7.1669,1.3534,.6121;3.4391,.3253,-1.1397;1.8542,-.4473,1.4059;2.1429,2.4569,2.3841;3.2422,1.0937,2.6266;3.8445,2.6007,1.9203;1.9987,2.2258,-1.3744;1.304,3.0507,.0305;2.9951,3.3258,-.4128;4.3969,-.5721,1.6818;-1.1644,-1.04,-1.6572;6.8748,-2.5763,.4686;7.6536,-1.0326,.7796;6.4225,-1.6382,1.906;5.207,-.2235,-2.01;6.9152,-.1939,-1.5522;6.126,-1.73,-1.8683;-1.8138,-2.3208,.9608;-2.1587,-2.9689,-.6501;-1.5741,1.6902,-1.8664;-1.0486,1.9103,-.207;-2.6791,2.4186,-.6791;-4.6682,1.7815,-.3119;-6.1815,-.6039,.8471;-7.5001,1.4394,1.653;-6.9173,2.352,.2446;-8.0264,.9789,.0439; Gaussian 16 27-Jan-2025 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C19H26O3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2297,-.638,.1529;.8978,.0356,-1.693;-4.5776,-2.293,.3712;2.6492,1.4443,.5539;3.3909,.2801,-.0581;1.9654,.0694,.4608;2.9913,1.9154,1.9546;2.2059,2.569,-.361;4.5125,-.4149,.6125;.8678,-.1663,-.491;5.6382,-.866,.0357;-1.4428,-.883,-.6141;6.697,-1.564,.8512;5.9716,-.738,-1.4278;-2.1963,-2.0709,-.0326;-2.3935,.2872,-.4971;-3.6388,-.1091,-.1142;-3.6194,-1.5715,.1139;-1.9156,1.656,-.8262;-4.8071,.7549,.0181;-6.0105,.4105,.5037;-7.1669,1.3534,.6121;3.4391,.3253,-1.1397;1.8542,-.4473,1.4059;2.1429,2.4569,2.3841;3.2422,1.0937,2.6266;3.8445,2.6007,1.9203;1.9987,2.2258,-1.3744;1.304,3.0507,.0305;2.9951,3.3258,-.4128;4.3969,-.5721,1.6818;-1.1644,-1.04,-1.6572;6.8748,-2.5763,.4686;7.6536,-1.0326,.7796;6.4225,-1.6382,1.906;5.207,-.2235,-2.01;6.9152,-.1939,-1.5522;6.126,-1.73,-1.8683;-1.8138,-2.3208,.9608;-2.1587,-2.9689,-.6501;-1.5741,1.6902,-1.8664;-1.0486,1.9103,-.207;-2.6791,2.4186,-.6791;-4.6682,1.7815,-.3119;-6.1815,-.6039,.8471;-7.5001,1.4394,1.653;-6.9173,2.352,.2446;-8.0264,.9789,.0439; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Allethrin_RR CONF2 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 640 A 640 1000 662 82 82 1751.3128160608 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0473110076 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.265436 0.000000 4.657380 6.297900 0.000000 3.575603 3.178149 8.138068 0.000000 3.741148 2.991407 8.384664 1.509969 0.000000 2.326764 2.404178 6.957045 1.538361 1.531556 0.000000 4.487833 4.606658 8.803741 1.516846 2.623903 2.586774 0.000000 4.059696 3.147010 8.378039 1.516170 2.595294 2.642253 2.531015 0.000000 4.769700 4.311040 9.285299 2.632842 1.480114 2.597186 3.089610 3.895180 0.000000 1.357064 1.219213 5.909249 2.619016 2.598588 1.471831 3.850121 3.047852 3.816231 0.000000 5.873492 5.125705 10.320449 3.813120 2.524392 3.813783 4.292405 4.872157 1.342885 4.850094 0.000000 1.456008 2.736116 3.575740 4.850312 5.002699 3.698484 5.838707 5.029290 6.098388 2.422384 7.110792 0.000000 7.023179 6.531731 11.308398 5.052012 3.893316 5.020813 5.201572 6.222722 2.479806 6.142882 1.507809 8.298707 0.000000 6.400367 5.139302 10.813922 4.441545 3.093930 4.502016 5.230976 5.123955 2.529057 5.220431 1.506437 7.460360 2.530362 0.000000 2.440340 4.094838 2.425486 6.014978 6.061762 4.705802 6.837455 6.404392 6.940294 3.636842 7.926922 1.522151 8.951551 8.392760 0.000000 2.441369 3.510856 3.490201 5.279461 5.801056 4.468248 6.136571 5.136129 7.029765 3.292704 8.131525 1.512196 9.374574 8.478920 2.411410 0.000000 3.460211 4.805643 2.426167 6.511463 7.040723 5.636500 7.234418 6.433816 8.189411 4.522726 9.309039 2.381407 10.482304 9.720136 2.436363 1.361768 0.000000 3.516065 5.123706 1.226793 6.970210 7.252708 5.831183 7.697205 7.162621 8.228863 4.740816 9.284711 2.396108 10.342705 9.749777 1.515194 2.308828 1.480207 0.000000 3.010533 3.360391 4.910684 4.773634 5.535579 4.385933 5.646040 4.246976 6.905074 3.343762 8.010220 2.591349 9.346676 8.264453 3.820773 1.486770 2.567504 3.768759 0.000000 4.786526 5.999263 3.076781 7.507316 8.212131 6.821531 8.118609 7.253779 9.411583 5.771718 10.570339 3.794819 11.765069 10.977249 3.847522 2.511911 1.459070 2.613787 3.144176 0.000000 5.885544 7.258785 3.062539 8.721364 9.419071 7.983315 9.241305 8.539078 10.555911 6.973745 11.727742 4.877071 12.864693 12.190969 4.581731 3.754890 2.505303 3.130104 4.481961 1.342549 0.000000 7.231986 8.490569 4.478690 9.816770 10.633412 9.223427 10.261932 9.501285 11.812587 8.251285 13.008817 6.266611 14.169620 13.459424 6.070271 5.015255 3.887694 4.624785 5.453139 2.505956 1.496097 0.000000 4.007309 2.616906 8.567716 2.178130 1.083649 2.190623 3.507643 2.676094 2.184177 2.696990 2.763515 5.056595 4.260034 2.761750 6.222946 5.867986 7.164965 7.415576 5.526451 8.338144 9.591759 10.798751 0.000000 2.439087 3.278881 6.770951 2.221697 2.243570 1.082790 2.678873 3.513386 2.774367 2.156407 4.046121 3.891108 5.000743 5.006686 4.594817 4.712085 5.709516 5.735243 4.859828 6.909745 7.962623 9.233305 3.096547 0.000000 4.492904 4.902668 8.472241 2.152103 3.501528 3.070974 1.094310 2.748141 4.123256 4.095549 5.364178 5.744730 6.265615 6.276705 6.720914 5.795511 6.801070 7.388207 5.236346 7.536432 8.614045 9.540998 4.317556 3.078134 0.000000 4.601295 5.027390 8.815073 2.184119 2.809202 2.714735 1.090716 3.489425 2.818920 4.116371 4.036642 6.029813 4.706556 5.219481 6.831062 6.493710 7.503776 7.777997 6.232226 8.468162 9.517612 10.605403 3.848926 2.406513 1.767896 0.000000 5.496590 5.321601 9.863104 2.152488 3.083083 3.474019 1.094931 2.809036 3.354197 4.725649 4.334472 6.820254 5.159930 5.184713 7.882258 7.078793 8.214811 8.739573 6.450993 9.048575 10.194383 11.158827 3.834819 3.676475 1.769554 1.769930 0.000000 3.936947 2.471932 8.167897 2.180038 2.730773 2.831862 3.487682 1.089848 4.152228 2.789523 4.979369 4.699649 6.433599 4.956912 6.153050 4.880500 6.230671 6.942409 3.993345 7.100825 8.424326 9.418899 2.396199 3.859596 3.768412 4.340041 3.795158 0.000000 3.996717 3.496670 7.953907 2.159734 3.469863 3.084013 2.799626 1.094902 4.758616 3.288101 5.841810 4.840947 7.145266 6.186102 6.203797 4.646180 5.868288 6.753609 3.611791 6.528147 7.790772 8.658825 3.654611 3.798767 2.568211 3.784947 3.198163 1.771184 0.000000 5.141049 4.106425 9.462076 2.143389 3.091734 3.525239 2.755640 1.094590 4.164917 4.089718 4.975777 6.119574 6.261967 5.138451 7.497933 6.186837 7.476371 8.246902 5.203259 8.226157 9.509946 10.402264 3.119015 4.341091 3.050213 3.778987 2.586639 1.768464 1.769762 0.000000 4.873102 4.899210 9.231498 2.896911 2.182950 2.795382 2.870163 4.340544 1.086931 4.164119 2.082532 6.282507 2.639023 3.489533 6.975378 7.182953 8.246953 8.229019 7.148578 9.446799 10.519806 11.771715 3.111853 2.560611 3.840414 2.236304 3.229382 4.787510 5.041601 4.641733 0.000000 2.076378 2.326071 4.163501 5.060029 5.005008 3.938547 6.248857 5.105252 6.145690 2.500598 7.012178 1.090930 8.268513 7.146035 2.183294 2.148930 3.061049 3.073472 2.919452 4.392902 5.500702 6.848992 4.829418 4.341108 6.284761 6.505421 7.151371 4.555227 5.067049 6.157033 6.503438 0.000000 7.370920 6.871619 11.456331 5.833285 4.535783 5.576860 6.120856 6.997228 3.205057 6.543119 2.154409 8.556999 1.096661 2.791329 9.099009 9.748480 10.814912 10.548092 9.841748 12.155911 13.226935 14.581933 4.775985 5.533258 7.168899 5.596591 6.171816 7.087549 7.930274 7.117790 3.410064 8.456178 0.000000 7.918013 7.272975 12.302763 5.588332 4.538203 5.802694 5.639905 6.629531 3.205564 6.957851 2.154779 9.203794 1.096584 2.790829 9.937747 10.213511 11.365310 11.305430 10.068632 12.611276 13.742833 15.012297 4.825987 5.862367 6.717080 5.233869 5.386228 6.872820 7.586359 6.489929 3.410598 9.148459 1.756730 0.000000 6.951665 6.802719 11.125951 5.056414 4.089965 4.986968 4.940034 6.373402 2.611024 6.226274 2.170124 8.293645 1.092399 3.482517 8.844751 9.338278 10.375419 10.200711 9.372358 11.635937 12.678422 13.974849 4.693890 4.747363 5.942555 4.254114 4.961344 6.727720 7.190487 6.462593 2.300006 8.403225 1.774973 1.775106 0.000000 5.865807 4.328646 10.280685 3.987109 2.713236 4.086387 5.020151 4.418598 2.719641 4.597734 2.187125 6.826713 3.493402 1.090049 7.882423 7.766441 9.047420 9.177861 7.460944 10.264177 11.513151 12.746632 2.045526 4.791585 5.990112 5.205127 5.027896 4.086124 5.487989 4.476676 3.795657 6.433177 3.802698 3.797683 4.337471 0.000000 7.358991 6.023492 11.840272 5.031686 3.857178 5.349972 5.669556 5.588442 3.241565 6.139884 2.145691 8.438744 2.775140 1.096344 9.426198 9.380697 10.651909 10.754145 9.051699 11.865068 13.102145 14.331295 3.538861 5.867551 6.730268 5.710651 5.412708 5.482630 6.672259 5.390146 4.116288 8.124474 3.124267 2.585738 3.779928 1.768754 0.000000 6.758183 5.521124 10.949921 5.294454 3.846834 5.096404 6.142488 6.010112 3.238418 5.656048 2.146994 7.718689 2.783803 1.096395 8.529226 8.861814 10.052677 9.946199 8.787449 11.369562 12.550011 13.869493 3.460491 5.532974 7.174887 6.041050 6.189861 5.738264 7.050792 6.122275 4.115079 7.326022 2.595746 3.135502 3.787018 1.770416 1.755724 0.000000 2.448271 4.466332 2.826137 5.853212 5.906924 4.499512 6.482419 6.466498 6.616387 3.733736 7.648822 2.164542 8.545131 8.295995 1.093488 3.043484 3.062316 2.130395 4.361055 4.394088 5.027983 6.502085 6.245536 4.142768 6.364583 6.324284 7.560341 6.376513 6.280066 7.542923 6.492320 2.985964 8.706280 9.556353 8.318409 7.906738 9.329278 8.449499 0.000000 3.130345 4.410999 2.711361 6.636421 6.457888 5.241544 7.560626 7.057070 7.254127 4.127928 8.104521 2.205663 9.091264 8.466598 1.090516 3.268166 3.264459 2.161072 4.634705 4.618178 5.252440 6.734898 6.513551 5.166129 7.559764 7.510712 8.582927 6.692806 6.977809 8.138842 7.359169 2.392438 9.110910 10.103147 9.052090 7.977484 9.531559 8.464928 1.770324 0.000000 3.362365 2.979609 5.467557 4.873944 5.469028 4.535595 5.957654 4.162572 6.901035 3.361774 7.884785 2.864785 9.294506 7.938909 4.230347 2.124892 3.251287 4.329405 1.095364 3.857307 5.190043 6.126685 5.246243 5.199086 5.698352 6.613578 6.673101 3.646051 3.705794 5.066122 7.304839 2.768699 9.748810 9.978285 9.447510 7.047455 8.701601 8.425575 4.913140 4.850687 0.000000 2.700677 3.083973 5.518672 3.803979 4.731714 3.594335 4.581834 3.324059 6.083132 2.839975 7.244306 2.850165 8.554854 7.601750 4.146951 2.127753 3.285690 4.339879 1.095337 3.938550 5.232094 6.197988 4.849860 4.072592 4.147114 5.206406 5.380065 3.278450 2.625204 4.289209 6.275587 3.289407 9.130475 9.239172 8.536622 6.851003 8.346239 8.215039 4.455468 5.023482 1.754481 0.000000 4.004235 4.415929 5.187117 5.555224 6.465577 5.328169 6.272335 4.897619 7.836850 4.392875 8.970863 3.526008 10.301180 9.238963 4.561344 2.158125 2.762114 4.175351 1.089035 2.789724 4.065657 4.789832 6.482713 5.754212 5.712795 6.909663 7.024777 4.733075 4.094858 5.752393 8.036588 3.900315 10.841668 10.991022 10.294590 8.422718 9.981895 9.805862 5.089123 5.412667 1.777994 1.771900 0.000000 5.076385 5.994607 4.132344 7.376155 8.201672 6.894406 7.988845 6.919179 9.484939 5.871379 10.646642 4.194471 11.904324 10.990786 4.585701 2.727893 2.161728 3.538925 2.802994 1.087310 2.084882 2.698316 8.278455 7.103498 7.356289 8.466436 8.838530 6.765571 6.115099 7.817933 9.575428 4.695432 12.362799 12.686061 11.815918 10.218736 11.815908 11.457212 5.157105 5.383203 3.463824 3.623360 2.120632 0.000000 5.992205 7.548283 2.377347 9.069856 9.655627 8.183787 9.576670 9.048451 10.698257 7.188489 11.850370 4.966642 12.914243 12.364869 4.336723 4.116948 2.762952 2.835172 5.109251 2.102869 1.084437 2.203926 9.867380 8.056622 9.001451 9.739263 10.580261 8.936257 8.369862 10.061721 10.611264 5.624280 13.209816 13.841861 12.690585 11.747552 13.320973 12.653687 4.694367 4.900822 5.818382 5.811910 4.871427 3.053399 0.000000 7.708747 9.148287 4.910635 10.208711 11.085426 9.638198 10.506528 9.976926 12.199397 8.786214 13.436738 6.871967 14.533496 13.989979 6.579764 5.659324 4.520025 5.147281 6.113941 3.223924 2.144454 1.096289 11.344878 9.545918 9.724086 10.791845 11.407075 10.000547 9.096203 10.861646 12.065875 7.566118 14.972181 15.378836 14.260956 13.328692 14.857444 14.426251 6.852150 7.298552 6.896882 6.730798 5.444247 3.463792 2.561885 0.000000 7.326127 8.378248 5.202507 9.614476 10.518726 9.173860 10.064510 9.145814 11.765726 8.215281 12.962999 6.416555 14.179318 13.359190 6.475038 5.027743 4.115127 5.127132 5.162134 2.656130 2.158502 1.093008 10.643195 9.280315 9.309971 10.510542 10.894337 9.062623 8.253658 9.981741 11.773962 6.943930 14.647844 14.968381 14.022553 12.598202 14.179162 13.829503 6.956543 7.194285 5.783047 5.902581 4.338182 2.386139 3.105119 1.776626 0.000000 7.963324 9.140427 4.765130 10.697938 11.439132 10.041790 11.221264 10.363003 12.628979 8.983579 13.788569 6.873346 14.963210 14.179466 6.580015 5.700929 4.523233 5.092306 6.209436 3.227160 2.144399 1.096267 11.544900 10.075502 10.539241 11.561299 12.127241 10.201378 9.557622 11.277810 12.626392 7.352337 15.325299 15.825594 14.801590 13.445715 15.072339 14.535674 7.094004 7.106172 6.766617 7.044139 5.584703 3.471086 2.560093 1.754490 1.776455 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2877,-.6498,.1963;.8313,-.1083,-1.6975;-4.6026,-2.3677,.5455;2.5482,1.5155,.4275;3.3145,.3199,-.0855;1.8921,.1243,.4474;2.877,2.1073,1.7849;2.0852,2.5519,-.5776;4.4479,-.2949,.6414;.802,-.211,-.483;5.5838,-.7695,.105;-1.4936,-.9814,-.5492;6.654,-1.3765,.9766;5.9187,-.7558,-1.3636;-2.2251,-2.1321,.1274;-2.4676,.1752,-.5302;-3.7059,-.213,-.1174;-3.6581,-1.6509,.2307;-2.0161,1.5215,-.9706;-4.8915,.6354,-.0581;-6.0891,.3082,.4528;-7.2643,1.2336,.4818;3.3648,.2767,-1.1671;1.7885,-.3149,1.4317;2.0168,2.6653,2.1673;3.1422,1.349,2.5227;3.7166,2.8044,1.6952;1.8877,2.1222,-1.5595;1.1728,3.0462,-.2282;2.8594,3.3174,-.6907;4.3323,-.3656,1.7199;-1.2092,-1.2183,-1.5754;6.8529,-2.4131,.679;7.6,-.8338,.8625;6.3781,-1.369,2.0336;5.1457,-.3065,-1.9871;6.8517,-.2051,-1.5314;6.094,-1.7776,-1.7206;-1.8404,-2.2916,1.1385;-2.1679,-3.0772,-.4138;-1.6724,1.4766,-2.0097;-1.156,1.8432,-.3735;-2.7949,2.2781,-.8877;-4.772,1.6339,-.4715;-6.2409,-.6775,.8785;-7.6021,1.3985,1.5117;-7.0335,2.2033,.0334;-8.1146,.7965,-.0546; 0.6711652 0.1004636 0.0944034 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 640 RedAO= T EigKep= 1.86D-06 NBF= 640 NBsUse= 638 1.00D-06 EigRej= 6.05D-07 NBFU= 638 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 635 634 634 634 635 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.646548272294 -965.646548272298 -0.000000000005 -965.646548272 2 9.613290937016e+02 -5.749995924516e+03 2.071739179175e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323731410 LenY= 11323292504 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT603S 2025-01-27T14:57:05.000 -19.17653 -19.12206 -19.12167 -10.31414 -10.27020 -10.24363 -10.20924 -10.19886 -10.19144 -10.18722 -10.18373 -10.17822 -10.17627 -10.17571 -10.17315 -10.16849 -10.16086 -10.15978 -10.15654 -10.15552 -10.15498 -10.15494 -1.11459 -1.05198 -1.03096 -0.88516 -0.87280 -0.80647 -0.80260 -0.76494 -0.74661 -0.73320 -0.70928 -0.68992 -0.68616 -0.67956 -0.67101 -0.63148 -0.58507 -0.57793 -0.55589 -0.55431 -0.53584 -0.52511 -0.50181 -0.49111 -0.48355 -0.47631 -0.46875 -0.45543 -0.44998 -0.44014 -0.43521 -0.42992 -0.42524 -0.42175 -0.42001 -0.41218 -0.40864 -0.40330 -0.39803 -0.39598 -0.38890 -0.38215 -0.37989 -0.37836 -0.37512 -0.36920 -0.36726 -0.36296 -0.36098 -0.35408 -0.35138 -0.32791 -0.31967 -0.31596 -0.31428 -0.29624 -0.28068 -0.26413 -0.23482 -0.22732 -0.06452 -0.01888 -0.01539 0.00533 0.01311 0.01494 0.02040 0.02386 0.02459 0.03226 0.03651 0.04079 0.04340 0.04709 0.04915 0.05359 0.05451 0.05564 0.05828 0.06228 0.06325 0.06739 0.07123 0.07527 0.07987 0.08108 0.08574 0.08625 0.08751 0.09254 0.09435 0.09911 0.10214 0.10337 0.10619 0.11004 0.11607 0.11831 0.12025 0.12355 0.12734 0.13049 0.13352 0.13732 0.13944 0.14170 0.14456 0.14586 0.14926 0.15247 0.15536 0.15730 0.16011 0.16636 0.16759 0.17429 0.17594 0.17807 0.18178 0.18518 0.18705 0.18929 0.19409 0.19520 0.19832 0.20066 0.20188 0.20553 0.21057 0.21358 0.21436 0.21731 0.22027 0.22255 0.22357 0.22500 0.23207 0.23340 0.23373 0.23534 0.23836 0.23910 0.24123 0.24429 0.24708 0.24912 0.25187 0.25481 0.25705 0.25906 0.25972 0.26729 0.26854 0.27045 0.27223 0.27684 0.27945 0.28108 0.28466 0.28758 0.29152 0.29338 0.29622 0.29996 0.30137 0.30398 0.30676 0.31171 0.31773 0.31860 0.31873 0.32510 0.32723 0.32887 0.33099 0.34067 0.34810 0.34858 0.35429 0.36243 0.36655 0.37057 0.37698 0.38029 0.38621 0.39330 0.39894 0.40220 0.40848 0.41012 0.42025 0.42220 0.42657 0.43249 0.43704 0.44253 0.44370 0.45320 0.45978 0.46141 0.46438 0.47335 0.47883 0.48503 0.49047 0.49955 0.50179 0.51311 0.52587 0.52764 0.53953 0.54238 0.54447 0.55243 0.55536 0.56671 0.57374 0.57786 0.58030 0.58995 0.59368 0.59882 0.60560 0.61237 0.61646 0.61989 0.62106 0.62531 0.62843 0.63115 0.63528 0.64115 0.64336 0.64793 0.65172 0.66215 0.66316 0.66618 0.67173 0.67376 0.67609 0.68004 0.68691 0.68965 0.69622 0.69753 0.70323 0.70581 0.70828 0.71202 0.71471 0.72156 0.72511 0.73062 0.73230 0.73798 0.74188 0.74406 0.74560 0.75236 0.75522 0.76149 0.76217 0.76610 0.77119 0.77747 0.78610 0.79547 0.80509 0.80648 0.81579 0.81890 0.82659 0.83868 0.84325 0.85316 0.86806 0.87767 0.88094 0.88634 0.89571 0.90653 0.91672 0.92323 0.93357 0.94344 0.94875 0.95975 0.96830 0.97441 0.98277 0.99657 1.00667 1.01155 1.02554 1.04226 1.05483 1.06511 1.07243 1.08622 1.09159 1.09769 1.10041 1.10953 1.11394 1.12000 1.14554 1.14975 1.16189 1.17130 1.18180 1.18432 1.20625 1.20810 1.23914 1.25024 1.25601 1.25968 1.27880 1.28131 1.31247 1.32277 1.33152 1.35134 1.35985 1.37279 1.37736 1.38687 1.39923 1.40432 1.40657 1.41813 1.42594 1.43695 1.45530 1.45838 1.46452 1.46850 1.46878 1.46991 1.47378 1.47962 1.48459 1.50486 1.50687 1.51794 1.51928 1.52342 1.53042 1.53645 1.54896 1.56230 1.56574 1.56762 1.57146 1.57734 1.58210 1.58649 1.58875 1.59312 1.59848 1.60355 1.61004 1.61998 1.62615 1.63160 1.63921 1.65341 1.65785 1.66426 1.67013 1.67674 1.67940 1.68812 1.69590 1.69657 1.70271 1.70814 1.71629 1.72169 1.73257 1.73639 1.74600 1.75044 1.75990 1.76524 1.77125 1.77975 1.78061 1.78754 1.80038 1.80066 1.80515 1.82096 1.82322 1.84116 1.84434 1.85685 1.86422 1.87700 1.88888 1.89581 1.90373 1.90571 1.92431 1.92902 1.93857 1.95049 1.96697 1.97136 1.98603 2.00692 2.01415 2.02507 2.03225 2.04628 2.04953 2.05241 2.05501 2.06383 2.07121 2.08785 2.09654 2.10234 2.10927 2.11895 2.12743 2.14178 2.14700 2.15031 2.16907 2.17324 2.18094 2.18648 2.18996 2.20198 2.22090 2.24188 2.24815 2.26396 2.28588 2.29445 2.31759 2.32687 2.33388 2.35050 2.35823 2.36432 2.37190 2.39425 2.41074 2.41190 2.42485 2.43079 2.44251 2.45227 2.45479 2.47531 2.47777 2.48364 2.49940 2.50939 2.51334 2.51661 2.52427 2.52755 2.53266 2.54301 2.54493 2.55148 2.55391 2.55931 2.56827 2.57278 2.58162 2.58377 2.58742 2.59789 2.60246 2.61808 2.62608 2.63091 2.64134 2.66064 2.66415 2.66974 2.67962 2.68696 2.69537 2.71100 2.71839 2.73167 2.74140 2.75178 2.75865 2.76992 2.77746 2.79097 2.80450 2.80890 2.82192 2.83646 2.84474 2.85002 2.85827 2.87165 2.87612 2.88546 2.89276 2.90072 2.91645 2.92821 2.93262 2.94021 2.95293 2.96497 2.97390 2.97693 2.98374 3.00153 3.02039 3.04810 3.05546 3.06431 3.07421 3.08062 3.09121 3.10868 3.11460 3.13602 3.15526 3.16296 3.18624 3.19645 3.21667 3.23565 3.24430 3.25135 3.27173 3.29547 3.31519 3.34030 3.34608 3.36391 3.36879 3.45322 3.48285 3.54481 3.58001 3.58109 3.61763 3.65817 3.66430 3.68265 3.70379 3.76003 3.76925 3.79335 3.80309 3.80997 3.81589 3.83143 3.83610 3.84230 3.84656 3.84977 3.85620 3.85891 3.87226 3.92613 3.95523 4.05034 4.10546 4.15477 4.16931 4.22919 4.26451 4.28121 4.31273 4.32242 4.40651 4.51221 4.55902 4.57079 4.59813 5.06265 5.09911 5.13836 5.21631 5.28847 5.38605 5.66172 5.72868 5.90787 23.62944 23.69695 23.80596 23.81191 23.83326 23.86165 23.87926 23.89543 23.92245 23.94186 23.96656 23.97701 23.99657 23.99812 24.00401 24.01916 24.14504 24.24005 24.24923 49.93162 50.01327 50.02350 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 0.123321 -0.341312 -0.422102 0.287402 0.569070 -0.156104 -0.560290 -0.608815 -0.183033 -0.399729 0.145302 -0.453804 -0.643523 -0.776898 -0.673353 0.856034 0.803335 -0.263266 -0.728118 -0.144427 -0.226085 -0.705425 0.168823 0.194011 0.164541 0.153587 0.160591 0.157635 0.159376 0.163544 0.139601 0.244611 0.158335 0.160222 0.150857 0.151788 0.164343 0.163130 0.235746 0.222782 0.201664 0.195645 0.174945 0.163062 0.170104 0.164707 0.151548 0.166626 -0.00000 3.9709 4.2640 0.7994 5.8812 -136.8878 -135.6995 -137.1000 -21.0571 7.8656 2.1631 -0.3254 0.8629 -0.5375 -21.0571 7.8656 2.1631 114.5533 21.9934 12.2702 37.6962 101.9094 -15.9269 3.7755 -3.4314 -13.8529 -9.5013 -12962.1836 -1701.1435 -787.2778 -694.1987 -83.6280 -118.9288 27.4195 15.1427 -10.5846 -2730.1386 -2384.3054 -407.5815 54.6507 40.4891 1.9532 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GALAPAGAR APULGAR 2025-01-27T00:00:00.000 0 Wavefunction Allethrin_RR CONF2water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.6465483 RMSD=3.451e-09 Dipole=1.5958456,1.6146118,0.4474074 Quadrupole=-0.8537848,1.0072978,-0.153513,-16.0553417,4.5702578,1.6264351 PG=C01 [X(C19H26O3)] 0 -0.2297080197 -0.6379676595 0.1528537266 0 0.897770918 0.0356200109 -1.6930257577 0 -4.5776348157 -2.2929694098 0.3712292756 0 2.6492474991 1.4442696837 0.5538983441 0 3.3909164867 0.2800561178 -0.0580974508 0 1.9654289273 0.0693947457 0.4608166868 0 2.9912845897 1.915398904 1.9545662792 0 2.205884195 2.5690494691 -0.3610171229 0 4.512548987 -0.4149046091 0.6125047437 0 0.867820794 -0.1662911803 -0.4910214879 0 5.6381837582 -0.8660473275 0.035654449 0 -1.4428386851 -0.8829819539 -0.6141142365 0 6.6970322362 -1.5640289065 0.8512216557 0 5.9715939671 -0.7379526776 -1.4278283667 0 -2.1963452831 -2.0708630872 -0.0326419883 0 -2.3935031234 0.2871760635 -0.4970557456 0 -3.6388189396 -0.109108924 -0.1142241534 0 -3.6193572543 -1.5714968621 0.1139303576 0 -1.9156181398 1.6560288525 -0.8262254692 0 -4.8071225131 0.7548558244 0.0181277078 0 -6.0104820275 0.4104643549 0.5036758694 0 -7.1669296737 1.3534239592 0.6121340518 0 3.4390580732 0.3253098706 -1.1397307037 0 1.8542288868 -0.4473061644 1.4058501268 0 2.1429041471 2.4569282146 2.3841135322 0 3.2421620326 1.0937317518 2.6265663563 0 3.844533419 2.6007224235 1.9203217536 0 1.9986642871 2.2258218025 -1.374438295 0 1.3039675625 3.0507488973 0.0305477498 0 2.9950824882 3.3257610877 -0.4127989135 0 4.3968688885 -0.5721193862 1.6817664853 0 -1.164372676 -1.0399642407 -1.6571585111 0 6.8747790448 -2.5762791625 0.4685713195 0 7.6535866621 -1.0326425411 0.7796100165 0 6.4224902941 -1.6382471494 1.9059511769 0 5.2070149894 -0.22345619 -2.00999634 0 6.9152422827 -0.1938676544 -1.5522013995 0 6.1260206947 -1.730018631 -1.8683285587 0 -1.813818697 -2.3207748372 0.96080346 0 -2.1586627817 -2.968946696 -0.650097292 0 -1.574119178 1.6902379032 -1.8664321508 0 -1.0486010952 1.9102772239 -0.2070297953 0 -2.6790804985 2.4185662086 -0.6790569792 0 -4.6681551013 1.7815189229 -0.3118623822 0 -6.1814668171 -0.6038607826 0.8470584918 0 -7.5001216502 1.4393788592 1.6530199825 0 -6.917277911 2.3520392979 0.2445648705 0 -8.0263902663 0.9789420208 0.0438976546 Gaussian 16 27-Jan-2025 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C19H26O3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2297,-.638,.1529;.8978,.0356,-1.693;-4.5776,-2.293,.3712;2.6492,1.4443,.5539;3.3909,.2801,-.0581;1.9654,.0694,.4608;2.9913,1.9154,1.9546;2.2059,2.569,-.361;4.5125,-.4149,.6125;.8678,-.1663,-.491;5.6382,-.866,.0357;-1.4428,-.883,-.6141;6.697,-1.564,.8512;5.9716,-.738,-1.4278;-2.1963,-2.0709,-.0326;-2.3935,.2872,-.4971;-3.6388,-.1091,-.1142;-3.6194,-1.5715,.1139;-1.9156,1.656,-.8262;-4.8071,.7549,.0181;-6.0105,.4105,.5037;-7.1669,1.3534,.6121;3.4391,.3253,-1.1397;1.8542,-.4473,1.4059;2.1429,2.4569,2.3841;3.2422,1.0937,2.6266;3.8445,2.6007,1.9203;1.9987,2.2258,-1.3744;1.304,3.0507,.0305;2.9951,3.3258,-.4128;4.3969,-.5721,1.6818;-1.1644,-1.04,-1.6572;6.8748,-2.5763,.4686;7.6536,-1.0326,.7796;6.4225,-1.6382,1.906;5.207,-.2235,-2.01;6.9152,-.1939,-1.5522;6.126,-1.73,-1.8683;-1.8138,-2.3208,.9608;-2.1587,-2.9689,-.6501;-1.5741,1.6902,-1.8664;-1.0486,1.9103,-.207;-2.6791,2.4186,-.6791;-4.6682,1.7815,-.3119;-6.1815,-.6039,.8471;-7.5001,1.4394,1.653;-6.9173,2.352,.2446;-8.0264,.9789,.0439; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum Allethrin_RR CONF2 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 640 A 640 1000 662 82 82 1751.3128160608 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0473110076 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.265436 0.000000 4.657380 6.297900 0.000000 3.575603 3.178149 8.138068 0.000000 3.741148 2.991407 8.384664 1.509969 0.000000 2.326764 2.404178 6.957045 1.538361 1.531556 0.000000 4.487833 4.606658 8.803741 1.516846 2.623903 2.586774 0.000000 4.059696 3.147010 8.378039 1.516170 2.595294 2.642253 2.531015 0.000000 4.769700 4.311040 9.285299 2.632842 1.480114 2.597186 3.089610 3.895180 0.000000 1.357064 1.219213 5.909249 2.619016 2.598588 1.471831 3.850121 3.047852 3.816231 0.000000 5.873492 5.125705 10.320449 3.813120 2.524392 3.813783 4.292405 4.872157 1.342885 4.850094 0.000000 1.456008 2.736116 3.575740 4.850312 5.002699 3.698484 5.838707 5.029290 6.098388 2.422384 7.110792 0.000000 7.023179 6.531731 11.308398 5.052012 3.893316 5.020813 5.201572 6.222722 2.479806 6.142882 1.507809 8.298707 0.000000 6.400367 5.139302 10.813922 4.441545 3.093930 4.502016 5.230976 5.123955 2.529057 5.220431 1.506437 7.460360 2.530362 0.000000 2.440340 4.094838 2.425486 6.014978 6.061762 4.705802 6.837455 6.404392 6.940294 3.636842 7.926922 1.522151 8.951551 8.392760 0.000000 2.441369 3.510856 3.490201 5.279461 5.801056 4.468248 6.136571 5.136129 7.029765 3.292704 8.131525 1.512196 9.374574 8.478920 2.411410 0.000000 3.460211 4.805643 2.426167 6.511463 7.040723 5.636500 7.234418 6.433816 8.189411 4.522726 9.309039 2.381407 10.482304 9.720136 2.436363 1.361768 0.000000 3.516065 5.123706 1.226793 6.970210 7.252708 5.831183 7.697205 7.162621 8.228863 4.740816 9.284711 2.396108 10.342705 9.749777 1.515194 2.308828 1.480207 0.000000 3.010533 3.360391 4.910684 4.773634 5.535579 4.385933 5.646040 4.246976 6.905074 3.343762 8.010220 2.591349 9.346676 8.264453 3.820773 1.486770 2.567504 3.768759 0.000000 4.786526 5.999263 3.076781 7.507316 8.212131 6.821531 8.118609 7.253779 9.411583 5.771718 10.570339 3.794819 11.765069 10.977249 3.847522 2.511911 1.459070 2.613787 3.144176 0.000000 5.885544 7.258785 3.062539 8.721364 9.419071 7.983315 9.241305 8.539078 10.555911 6.973745 11.727742 4.877071 12.864693 12.190969 4.581731 3.754890 2.505303 3.130104 4.481961 1.342549 0.000000 7.231986 8.490569 4.478690 9.816770 10.633412 9.223427 10.261932 9.501285 11.812587 8.251285 13.008817 6.266611 14.169620 13.459424 6.070271 5.015255 3.887694 4.624785 5.453139 2.505956 1.496097 0.000000 4.007309 2.616906 8.567716 2.178130 1.083649 2.190623 3.507643 2.676094 2.184177 2.696990 2.763515 5.056595 4.260034 2.761750 6.222946 5.867986 7.164965 7.415576 5.526451 8.338144 9.591759 10.798751 0.000000 2.439087 3.278881 6.770951 2.221697 2.243570 1.082790 2.678873 3.513386 2.774367 2.156407 4.046121 3.891108 5.000743 5.006686 4.594817 4.712085 5.709516 5.735243 4.859828 6.909745 7.962623 9.233305 3.096547 0.000000 4.492904 4.902668 8.472241 2.152103 3.501528 3.070974 1.094310 2.748141 4.123256 4.095549 5.364178 5.744730 6.265615 6.276705 6.720914 5.795511 6.801070 7.388207 5.236346 7.536432 8.614045 9.540998 4.317556 3.078134 0.000000 4.601295 5.027390 8.815073 2.184119 2.809202 2.714735 1.090716 3.489425 2.818920 4.116371 4.036642 6.029813 4.706556 5.219481 6.831062 6.493710 7.503776 7.777997 6.232226 8.468162 9.517612 10.605403 3.848926 2.406513 1.767896 0.000000 5.496590 5.321601 9.863104 2.152488 3.083083 3.474019 1.094931 2.809036 3.354197 4.725649 4.334472 6.820254 5.159930 5.184713 7.882258 7.078793 8.214811 8.739573 6.450993 9.048575 10.194383 11.158827 3.834819 3.676475 1.769554 1.769930 0.000000 3.936947 2.471932 8.167897 2.180038 2.730773 2.831862 3.487682 1.089848 4.152228 2.789523 4.979369 4.699649 6.433599 4.956912 6.153050 4.880500 6.230671 6.942409 3.993345 7.100825 8.424326 9.418899 2.396199 3.859596 3.768412 4.340041 3.795158 0.000000 3.996717 3.496670 7.953907 2.159734 3.469863 3.084013 2.799626 1.094902 4.758616 3.288101 5.841810 4.840947 7.145266 6.186102 6.203797 4.646180 5.868288 6.753609 3.611791 6.528147 7.790772 8.658825 3.654611 3.798767 2.568211 3.784947 3.198163 1.771184 0.000000 5.141049 4.106425 9.462076 2.143389 3.091734 3.525239 2.755640 1.094590 4.164917 4.089718 4.975777 6.119574 6.261967 5.138451 7.497933 6.186837 7.476371 8.246902 5.203259 8.226157 9.509946 10.402264 3.119015 4.341091 3.050213 3.778987 2.586639 1.768464 1.769762 0.000000 4.873102 4.899210 9.231498 2.896911 2.182950 2.795382 2.870163 4.340544 1.086931 4.164119 2.082532 6.282507 2.639023 3.489533 6.975378 7.182953 8.246953 8.229019 7.148578 9.446799 10.519806 11.771715 3.111853 2.560611 3.840414 2.236304 3.229382 4.787510 5.041601 4.641733 0.000000 2.076378 2.326071 4.163501 5.060029 5.005008 3.938547 6.248857 5.105252 6.145690 2.500598 7.012178 1.090930 8.268513 7.146035 2.183294 2.148930 3.061049 3.073472 2.919452 4.392902 5.500702 6.848992 4.829418 4.341108 6.284761 6.505421 7.151371 4.555227 5.067049 6.157033 6.503438 0.000000 7.370920 6.871619 11.456331 5.833285 4.535783 5.576860 6.120856 6.997228 3.205057 6.543119 2.154409 8.556999 1.096661 2.791329 9.099009 9.748480 10.814912 10.548092 9.841748 12.155911 13.226935 14.581933 4.775985 5.533258 7.168899 5.596591 6.171816 7.087549 7.930274 7.117790 3.410064 8.456178 0.000000 7.918013 7.272975 12.302763 5.588332 4.538203 5.802694 5.639905 6.629531 3.205564 6.957851 2.154779 9.203794 1.096584 2.790829 9.937747 10.213511 11.365310 11.305430 10.068632 12.611276 13.742833 15.012297 4.825987 5.862367 6.717080 5.233869 5.386228 6.872820 7.586359 6.489929 3.410598 9.148459 1.756730 0.000000 6.951665 6.802719 11.125951 5.056414 4.089965 4.986968 4.940034 6.373402 2.611024 6.226274 2.170124 8.293645 1.092399 3.482517 8.844751 9.338278 10.375419 10.200711 9.372358 11.635937 12.678422 13.974849 4.693890 4.747363 5.942555 4.254114 4.961344 6.727720 7.190487 6.462593 2.300006 8.403225 1.774973 1.775106 0.000000 5.865807 4.328646 10.280685 3.987109 2.713236 4.086387 5.020151 4.418598 2.719641 4.597734 2.187125 6.826713 3.493402 1.090049 7.882423 7.766441 9.047420 9.177861 7.460944 10.264177 11.513151 12.746632 2.045526 4.791585 5.990112 5.205127 5.027896 4.086124 5.487989 4.476676 3.795657 6.433177 3.802698 3.797683 4.337471 0.000000 7.358991 6.023492 11.840272 5.031686 3.857178 5.349972 5.669556 5.588442 3.241565 6.139884 2.145691 8.438744 2.775140 1.096344 9.426198 9.380697 10.651909 10.754145 9.051699 11.865068 13.102145 14.331295 3.538861 5.867551 6.730268 5.710651 5.412708 5.482630 6.672259 5.390146 4.116288 8.124474 3.124267 2.585738 3.779928 1.768754 0.000000 6.758183 5.521124 10.949921 5.294454 3.846834 5.096404 6.142488 6.010112 3.238418 5.656048 2.146994 7.718689 2.783803 1.096395 8.529226 8.861814 10.052677 9.946199 8.787449 11.369562 12.550011 13.869493 3.460491 5.532974 7.174887 6.041050 6.189861 5.738264 7.050792 6.122275 4.115079 7.326022 2.595746 3.135502 3.787018 1.770416 1.755724 0.000000 2.448271 4.466332 2.826137 5.853212 5.906924 4.499512 6.482419 6.466498 6.616387 3.733736 7.648822 2.164542 8.545131 8.295995 1.093488 3.043484 3.062316 2.130395 4.361055 4.394088 5.027983 6.502085 6.245536 4.142768 6.364583 6.324284 7.560341 6.376513 6.280066 7.542923 6.492320 2.985964 8.706280 9.556353 8.318409 7.906738 9.329278 8.449499 0.000000 3.130345 4.410999 2.711361 6.636421 6.457888 5.241544 7.560626 7.057070 7.254127 4.127928 8.104521 2.205663 9.091264 8.466598 1.090516 3.268166 3.264459 2.161072 4.634705 4.618178 5.252440 6.734898 6.513551 5.166129 7.559764 7.510712 8.582927 6.692806 6.977809 8.138842 7.359169 2.392438 9.110910 10.103147 9.052090 7.977484 9.531559 8.464928 1.770324 0.000000 3.362365 2.979609 5.467557 4.873944 5.469028 4.535595 5.957654 4.162572 6.901035 3.361774 7.884785 2.864785 9.294506 7.938909 4.230347 2.124892 3.251287 4.329405 1.095364 3.857307 5.190043 6.126685 5.246243 5.199086 5.698352 6.613578 6.673101 3.646051 3.705794 5.066122 7.304839 2.768699 9.748810 9.978285 9.447510 7.047455 8.701601 8.425575 4.913140 4.850687 0.000000 2.700677 3.083973 5.518672 3.803979 4.731714 3.594335 4.581834 3.324059 6.083132 2.839975 7.244306 2.850165 8.554854 7.601750 4.146951 2.127753 3.285690 4.339879 1.095337 3.938550 5.232094 6.197988 4.849860 4.072592 4.147114 5.206406 5.380065 3.278450 2.625204 4.289209 6.275587 3.289407 9.130475 9.239172 8.536622 6.851003 8.346239 8.215039 4.455468 5.023482 1.754481 0.000000 4.004235 4.415929 5.187117 5.555224 6.465577 5.328169 6.272335 4.897619 7.836850 4.392875 8.970863 3.526008 10.301180 9.238963 4.561344 2.158125 2.762114 4.175351 1.089035 2.789724 4.065657 4.789832 6.482713 5.754212 5.712795 6.909663 7.024777 4.733075 4.094858 5.752393 8.036588 3.900315 10.841668 10.991022 10.294590 8.422718 9.981895 9.805862 5.089123 5.412667 1.777994 1.771900 0.000000 5.076385 5.994607 4.132344 7.376155 8.201672 6.894406 7.988845 6.919179 9.484939 5.871379 10.646642 4.194471 11.904324 10.990786 4.585701 2.727893 2.161728 3.538925 2.802994 1.087310 2.084882 2.698316 8.278455 7.103498 7.356289 8.466436 8.838530 6.765571 6.115099 7.817933 9.575428 4.695432 12.362799 12.686061 11.815918 10.218736 11.815908 11.457212 5.157105 5.383203 3.463824 3.623360 2.120632 0.000000 5.992205 7.548283 2.377347 9.069856 9.655627 8.183787 9.576670 9.048451 10.698257 7.188489 11.850370 4.966642 12.914243 12.364869 4.336723 4.116948 2.762952 2.835172 5.109251 2.102869 1.084437 2.203926 9.867380 8.056622 9.001451 9.739263 10.580261 8.936257 8.369862 10.061721 10.611264 5.624280 13.209816 13.841861 12.690585 11.747552 13.320973 12.653687 4.694367 4.900822 5.818382 5.811910 4.871427 3.053399 0.000000 7.708747 9.148287 4.910635 10.208711 11.085426 9.638198 10.506528 9.976926 12.199397 8.786214 13.436738 6.871967 14.533496 13.989979 6.579764 5.659324 4.520025 5.147281 6.113941 3.223924 2.144454 1.096289 11.344878 9.545918 9.724086 10.791845 11.407075 10.000547 9.096203 10.861646 12.065875 7.566118 14.972181 15.378836 14.260956 13.328692 14.857444 14.426251 6.852150 7.298552 6.896882 6.730798 5.444247 3.463792 2.561885 0.000000 7.326127 8.378248 5.202507 9.614476 10.518726 9.173860 10.064510 9.145814 11.765726 8.215281 12.962999 6.416555 14.179318 13.359190 6.475038 5.027743 4.115127 5.127132 5.162134 2.656130 2.158502 1.093008 10.643195 9.280315 9.309971 10.510542 10.894337 9.062623 8.253658 9.981741 11.773962 6.943930 14.647844 14.968381 14.022553 12.598202 14.179162 13.829503 6.956543 7.194285 5.783047 5.902581 4.338182 2.386139 3.105119 1.776626 0.000000 7.963324 9.140427 4.765130 10.697938 11.439132 10.041790 11.221264 10.363003 12.628979 8.983579 13.788569 6.873346 14.963210 14.179466 6.580015 5.700929 4.523233 5.092306 6.209436 3.227160 2.144399 1.096267 11.544900 10.075502 10.539241 11.561299 12.127241 10.201378 9.557622 11.277810 12.626392 7.352337 15.325299 15.825594 14.801590 13.445715 15.072339 14.535674 7.094004 7.106172 6.766617 7.044139 5.584703 3.471086 2.560093 1.754490 1.776455 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2877,-.6498,.1963;.8313,-.1083,-1.6975;-4.6026,-2.3677,.5455;2.5482,1.5155,.4275;3.3145,.3199,-.0855;1.8921,.1243,.4474;2.877,2.1073,1.7849;2.0852,2.5519,-.5776;4.4479,-.2949,.6414;.802,-.211,-.483;5.5838,-.7695,.105;-1.4936,-.9814,-.5492;6.654,-1.3765,.9766;5.9187,-.7558,-1.3636;-2.2251,-2.1321,.1274;-2.4676,.1752,-.5302;-3.7059,-.213,-.1174;-3.6581,-1.6509,.2307;-2.0161,1.5215,-.9706;-4.8915,.6354,-.0581;-6.0891,.3082,.4528;-7.2643,1.2336,.4818;3.3648,.2767,-1.1671;1.7885,-.3149,1.4317;2.0168,2.6653,2.1673;3.1422,1.349,2.5227;3.7166,2.8044,1.6952;1.8877,2.1222,-1.5595;1.1728,3.0462,-.2282;2.8594,3.3174,-.6907;4.3323,-.3656,1.7199;-1.2092,-1.2183,-1.5754;6.8529,-2.4131,.679;7.6,-.8338,.8625;6.3781,-1.369,2.0336;5.1457,-.3065,-1.9871;6.8517,-.2051,-1.5314;6.094,-1.7776,-1.7206;-1.8404,-2.2916,1.1385;-2.1679,-3.0772,-.4138;-1.6724,1.4766,-2.0097;-1.156,1.8432,-.3735;-2.7949,2.2781,-.8877;-4.772,1.6339,-.4715;-6.2409,-.6775,.8785;-7.6021,1.3985,1.5117;-7.0335,2.2033,.0334;-8.1146,.7965,-.0546; 0.6711652 0.1004636 0.0944034 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 640 RedAO= T EigKep= 1.86D-06 NBF= 640 NBsUse= 638 1.00D-06 EigRej= 6.05D-07 NBFU= 638 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 635 634 634 634 635 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.646548272293 -965.646548272 1 9.613290927916e+02 -5.749995923887e+03 2.071739179455e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323731410 LenY= 11323292504 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 3.9858 311.06 0.0042 0.000 80 83 0.57868 80 84 0.12089 81 83 0.16157 82 83 -0.34249 -965.500071809 2 Singlet-A 4.0564 305.65 0.0231 0.000 80 83 0.31133 81 83 0.12107 82 83 0.61643 3 Singlet-A 4.2201 293.79 0.2724 0.000 80 83 -0.19568 81 83 0.65562 4 Singlet-A 5.0200 246.98 0.1560 0.000 82 84 -0.47895 82 85 0.50371 5 Singlet-A 5.2952 234.15 0.2664 0.000 78 83 -0.10388 79 83 0.47466 81 84 -0.45652 81 85 0.13621 6 Singlet-A 5.3462 231.91 0.0797 0.000 79 83 0.49633 81 84 0.41810 81 85 -0.20234 82 84 0.13503 7 Singlet-A 5.3817 230.38 0.0233 0.000 80 84 -0.11722 81 84 -0.14633 81 85 0.13575 82 84 0.47034 82 85 0.46233 8 Singlet-A 5.4949 225.63 0.3049 0.000 78 83 -0.15181 80 84 0.34496 80 85 0.16922 81 84 0.20903 81 85 0.49310 9 Singlet-A 5.5184 224.67 0.1517 0.000 77 83 -0.11611 78 83 0.28384 80 83 0.11308 80 84 -0.36865 80 85 -0.20165 81 84 0.13415 81 85 0.39197 82 84 -0.10898 82 85 -0.10163 10 Singlet-A 5.5619 222.92 0.0037 0.000 76 83 -0.10750 77 83 -0.13194 78 83 0.54647 80 84 0.28199 80 85 0.20490 PT19865S 2025-01-27T15:39:41.000 -19.17653 -19.12206 -19.12167 -10.31414 -10.27020 -10.24363 -10.20924 -10.19886 -10.19144 -10.18722 -10.18373 -10.17822 -10.17627 -10.17571 -10.17316 -10.16849 -10.16086 -10.15978 -10.15654 -10.15552 -10.15498 -10.15494 -1.11459 -1.05198 -1.03096 -0.88516 -0.87280 -0.80647 -0.80260 -0.76494 -0.74661 -0.73320 -0.70928 -0.68992 -0.68616 -0.67956 -0.67101 -0.63148 -0.58507 -0.57793 -0.55589 -0.55431 -0.53584 -0.52511 -0.50181 -0.49111 -0.48355 -0.47631 -0.46875 -0.45543 -0.44998 -0.44014 -0.43521 -0.42992 -0.42524 -0.42175 -0.42001 -0.41218 -0.40864 -0.40330 -0.39803 -0.39598 -0.38890 -0.38215 -0.37989 -0.37836 -0.37512 -0.36920 -0.36726 -0.36296 -0.36098 -0.35408 -0.35138 -0.32791 -0.31967 -0.31596 -0.31428 -0.29624 -0.28068 -0.26413 -0.23482 -0.22732 -0.06452 -0.01888 -0.01539 0.00533 0.01311 0.01494 0.02040 0.02386 0.02459 0.03226 0.03651 0.04079 0.04340 0.04709 0.04915 0.05359 0.05451 0.05564 0.05828 0.06228 0.06325 0.06739 0.07123 0.07527 0.07987 0.08108 0.08574 0.08625 0.08751 0.09254 0.09435 0.09911 0.10214 0.10337 0.10619 0.11004 0.11607 0.11831 0.12025 0.12355 0.12734 0.13049 0.13352 0.13732 0.13944 0.14170 0.14456 0.14586 0.14926 0.15247 0.15536 0.15730 0.16011 0.16636 0.16759 0.17429 0.17594 0.17807 0.18178 0.18518 0.18705 0.18929 0.19409 0.19520 0.19832 0.20066 0.20188 0.20553 0.21057 0.21358 0.21436 0.21731 0.22027 0.22255 0.22357 0.22500 0.23207 0.23340 0.23373 0.23534 0.23836 0.23910 0.24123 0.24429 0.24708 0.24912 0.25187 0.25481 0.25705 0.25906 0.25972 0.26729 0.26854 0.27045 0.27223 0.27684 0.27945 0.28108 0.28466 0.28758 0.29152 0.29338 0.29622 0.29996 0.30137 0.30398 0.30676 0.31171 0.31773 0.31860 0.31873 0.32510 0.32723 0.32887 0.33099 0.34067 0.34810 0.34858 0.35429 0.36243 0.36655 0.37057 0.37698 0.38029 0.38621 0.39330 0.39894 0.40220 0.40848 0.41012 0.42025 0.42220 0.42657 0.43249 0.43704 0.44253 0.44370 0.45320 0.45978 0.46141 0.46438 0.47335 0.47883 0.48503 0.49047 0.49955 0.50179 0.51311 0.52587 0.52764 0.53953 0.54238 0.54447 0.55243 0.55536 0.56671 0.57374 0.57786 0.58030 0.58995 0.59368 0.59882 0.60560 0.61237 0.61646 0.61989 0.62106 0.62531 0.62843 0.63115 0.63528 0.64115 0.64336 0.64793 0.65172 0.66215 0.66316 0.66618 0.67173 0.67376 0.67609 0.68004 0.68691 0.68965 0.69622 0.69753 0.70323 0.70581 0.70828 0.71202 0.71471 0.72156 0.72511 0.73062 0.73230 0.73798 0.74188 0.74406 0.74560 0.75236 0.75522 0.76149 0.76217 0.76610 0.77119 0.77747 0.78610 0.79547 0.80509 0.80648 0.81579 0.81890 0.82659 0.83868 0.84325 0.85316 0.86806 0.87767 0.88094 0.88634 0.89571 0.90653 0.91672 0.92323 0.93357 0.94344 0.94875 0.95975 0.96830 0.97441 0.98277 0.99657 1.00667 1.01155 1.02554 1.04226 1.05483 1.06511 1.07243 1.08622 1.09159 1.09769 1.10041 1.10953 1.11394 1.12000 1.14554 1.14975 1.16189 1.17130 1.18180 1.18432 1.20625 1.20810 1.23914 1.25024 1.25601 1.25968 1.27880 1.28131 1.31247 1.32277 1.33152 1.35134 1.35985 1.37279 1.37736 1.38687 1.39923 1.40432 1.40657 1.41813 1.42594 1.43695 1.45530 1.45838 1.46452 1.46850 1.46878 1.46991 1.47378 1.47962 1.48459 1.50486 1.50687 1.51794 1.51928 1.52342 1.53042 1.53645 1.54896 1.56230 1.56574 1.56762 1.57146 1.57734 1.58210 1.58649 1.58875 1.59312 1.59848 1.60355 1.61004 1.61998 1.62615 1.63160 1.63921 1.65341 1.65785 1.66426 1.67013 1.67674 1.67940 1.68812 1.69590 1.69657 1.70271 1.70814 1.71629 1.72169 1.73257 1.73639 1.74600 1.75044 1.75990 1.76524 1.77125 1.77975 1.78061 1.78754 1.80038 1.80066 1.80515 1.82096 1.82322 1.84116 1.84434 1.85685 1.86422 1.87700 1.88888 1.89581 1.90373 1.90571 1.92431 1.92902 1.93857 1.95049 1.96697 1.97136 1.98603 2.00692 2.01415 2.02507 2.03225 2.04628 2.04953 2.05241 2.05501 2.06383 2.07121 2.08785 2.09654 2.10234 2.10927 2.11895 2.12743 2.14178 2.14700 2.15031 2.16907 2.17324 2.18094 2.18648 2.18996 2.20198 2.22090 2.24188 2.24815 2.26396 2.28588 2.29445 2.31759 2.32687 2.33388 2.35050 2.35823 2.36432 2.37190 2.39425 2.41074 2.41190 2.42485 2.43079 2.44251 2.45227 2.45479 2.47531 2.47777 2.48364 2.49940 2.50939 2.51334 2.51661 2.52427 2.52755 2.53266 2.54301 2.54493 2.55148 2.55391 2.55931 2.56827 2.57278 2.58162 2.58377 2.58742 2.59789 2.60246 2.61808 2.62608 2.63091 2.64134 2.66064 2.66415 2.66974 2.67962 2.68696 2.69537 2.71100 2.71839 2.73167 2.74140 2.75178 2.75865 2.76992 2.77746 2.79097 2.80450 2.80890 2.82192 2.83646 2.84474 2.85002 2.85827 2.87165 2.87612 2.88546 2.89276 2.90072 2.91645 2.92821 2.93262 2.94021 2.95293 2.96497 2.97390 2.97693 2.98374 3.00153 3.02039 3.04810 3.05546 3.06431 3.07421 3.08062 3.09121 3.10868 3.11460 3.13602 3.15526 3.16296 3.18624 3.19645 3.21667 3.23565 3.24430 3.25135 3.27173 3.29547 3.31519 3.34030 3.34608 3.36391 3.36879 3.45322 3.48285 3.54481 3.58001 3.58109 3.61763 3.65817 3.66430 3.68265 3.70379 3.76003 3.76925 3.79335 3.80309 3.80997 3.81589 3.83143 3.83610 3.84230 3.84656 3.84977 3.85620 3.85891 3.87226 3.92613 3.95523 4.05034 4.10546 4.15477 4.16931 4.22919 4.26451 4.28121 4.31273 4.32242 4.40651 4.51221 4.55902 4.57079 4.59813 5.06265 5.09911 5.13836 5.21631 5.28847 5.38605 5.66172 5.72868 5.90787 23.62944 23.69695 23.80596 23.81191 23.83326 23.86165 23.87926 23.89543 23.92245 23.94186 23.96656 23.97701 23.99657 23.99812 24.00401 24.01916 24.14504 24.24005 24.24923 49.93162 50.01327 50.02350 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 0.123321 -0.341312 -0.422102 0.287401 0.569070 -0.156104 -0.560290 -0.608815 -0.183033 -0.399729 0.145302 -0.453804 -0.643523 -0.776898 -0.673353 0.856034 0.803334 -0.263266 -0.728118 -0.144427 -0.226085 -0.705425 0.168823 0.194011 0.164541 0.153587 0.160591 0.157635 0.159376 0.163544 0.139602 0.244611 0.158335 0.160222 0.150857 0.151788 0.164343 0.163130 0.235746 0.222782 0.201664 0.195645 0.174945 0.163062 0.170104 0.164707 0.151548 0.166626 -0.00000 3.9709 4.2640 0.7994 5.8812 -136.8878 -135.6995 -137.1000 -21.0571 7.8655 2.1631 -0.3254 0.8629 -0.5375 -21.0571 7.8655 2.1631 114.5534 21.9934 12.2702 37.6962 101.9094 -15.9269 3.7755 -3.4314 -13.8529 -9.5013 -12962.1828 -1701.1434 -787.2778 -694.1989 -83.6280 -118.9288 27.4195 15.1427 -10.5846 -2730.1386 -2384.3054 -407.5815 54.6507 40.4891 1.9533 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GALAPAGAR APULGAR 2025-01-27T00:00:00.000 0 Electronicspectrum Allethrin_RR CONF2 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.6465483 RMSD=5.377e-09 PG=C01 [X(C19H26O3)] 0 -0.2297080197 -0.6379676595 0.1528537266 0 0.897770918 0.0356200109 -1.6930257577 0 -4.5776348157 -2.2929694098 0.3712292756 0 2.6492474991 1.4442696837 0.5538983441 0 3.3909164867 0.2800561178 -0.0580974508 0 1.9654289273 0.0693947457 0.4608166868 0 2.9912845897 1.915398904 1.9545662792 0 2.205884195 2.5690494691 -0.3610171229 0 4.512548987 -0.4149046091 0.6125047437 0 0.867820794 -0.1662911803 -0.4910214879 0 5.6381837582 -0.8660473275 0.035654449 0 -1.4428386851 -0.8829819539 -0.6141142365 0 6.6970322362 -1.5640289065 0.8512216557 0 5.9715939671 -0.7379526776 -1.4278283667 0 -2.1963452831 -2.0708630872 -0.0326419883 0 -2.3935031234 0.2871760635 -0.4970557456 0 -3.6388189396 -0.109108924 -0.1142241534 0 -3.6193572543 -1.5714968621 0.1139303576 0 -1.9156181398 1.6560288525 -0.8262254692 0 -4.8071225131 0.7548558244 0.0181277078 0 -6.0104820275 0.4104643549 0.5036758694 0 -7.1669296737 1.3534239592 0.6121340518 0 3.4390580732 0.3253098706 -1.1397307037 0 1.8542288868 -0.4473061644 1.4058501268 0 2.1429041471 2.4569282146 2.3841135322 0 3.2421620326 1.0937317518 2.6265663563 0 3.844533419 2.6007224235 1.9203217536 0 1.9986642871 2.2258218025 -1.374438295 0 1.3039675625 3.0507488973 0.0305477498 0 2.9950824882 3.3257610877 -0.4127989135 0 4.3968688885 -0.5721193862 1.6817664853 0 -1.164372676 -1.0399642407 -1.6571585111 0 6.8747790448 -2.5762791625 0.4685713195 0 7.6535866621 -1.0326425411 0.7796100165 0 6.4224902941 -1.6382471494 1.9059511769 0 5.2070149894 -0.22345619 -2.00999634 0 6.9152422827 -0.1938676544 -1.5522013995 0 6.1260206947 -1.730018631 -1.8683285587 0 -1.813818697 -2.3207748372 0.96080346 0 -2.1586627817 -2.968946696 -0.650097292 0 -1.574119178 1.6902379032 -1.8664321508 0 -1.0486010952 1.9102772239 -0.2070297953 0 -2.6790804985 2.4185662086 -0.6790569792 0 -4.6681551013 1.7815189229 -0.3118623822 0 -6.1814668171 -0.6038607826 0.8470584918 0 -7.5001216502 1.4393788592 1.6530199825 0 -6.917277911 2.3520392979 0.2445648705 0 -8.0263902663 0.9789420208 0.0438976546 Gaussian 16 27-Jan-2025 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C19H26O3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2297,-.638,.1529;.8978,.0356,-1.693;-4.5776,-2.293,.3712;2.6492,1.4443,.5539;3.3909,.2801,-.0581;1.9654,.0694,.4608;2.9913,1.9154,1.9546;2.2059,2.569,-.361;4.5125,-.4149,.6125;.8678,-.1663,-.491;5.6382,-.866,.0357;-1.4428,-.883,-.6141;6.697,-1.564,.8512;5.9716,-.738,-1.4278;-2.1963,-2.0709,-.0326;-2.3935,.2872,-.4971;-3.6388,-.1091,-.1142;-3.6194,-1.5715,.1139;-1.9156,1.656,-.8262;-4.8071,.7549,.0181;-6.0105,.4105,.5037;-7.1669,1.3534,.6121;3.4391,.3253,-1.1397;1.8542,-.4473,1.4059;2.1429,2.4569,2.3841;3.2422,1.0937,2.6266;3.8445,2.6007,1.9203;1.9987,2.2258,-1.3744;1.304,3.0507,.0305;2.9951,3.3258,-.4128;4.3969,-.5721,1.6818;-1.1644,-1.04,-1.6572;6.8748,-2.5763,.4686;7.6536,-1.0326,.7796;6.4225,-1.6382,1.906;5.207,-.2235,-2.01;6.9152,-.1939,-1.5522;6.126,-1.73,-1.8683;-1.8138,-2.3208,.9608;-2.1587,-2.9689,-.6501;-1.5741,1.6902,-1.8664;-1.0486,1.9103,-.207;-2.6791,2.4186,-.6791;-4.6682,1.7815,-.3119;-6.1815,-.6039,.8471;-7.5001,1.4394,1.653;-6.9173,2.352,.2446;-8.0264,.9789,.0439; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Allethrin_RR CONF2 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1224 A 1092 A 1092 1562 1224 82 82 1751.3128160608 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0473110076 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.265436 0.000000 4.657380 6.297900 0.000000 3.575603 3.178149 8.138068 0.000000 3.741148 2.991407 8.384664 1.509969 0.000000 2.326764 2.404178 6.957045 1.538361 1.531556 0.000000 4.487833 4.606658 8.803741 1.516846 2.623903 2.586774 0.000000 4.059696 3.147010 8.378039 1.516170 2.595294 2.642253 2.531015 0.000000 4.769700 4.311040 9.285299 2.632842 1.480114 2.597186 3.089610 3.895180 0.000000 1.357064 1.219213 5.909249 2.619016 2.598588 1.471831 3.850121 3.047852 3.816231 0.000000 5.873492 5.125705 10.320449 3.813120 2.524392 3.813783 4.292405 4.872157 1.342885 4.850094 0.000000 1.456008 2.736116 3.575740 4.850312 5.002699 3.698484 5.838707 5.029290 6.098388 2.422384 7.110792 0.000000 7.023179 6.531731 11.308398 5.052012 3.893316 5.020813 5.201572 6.222722 2.479806 6.142882 1.507809 8.298707 0.000000 6.400367 5.139302 10.813922 4.441545 3.093930 4.502016 5.230976 5.123955 2.529057 5.220431 1.506437 7.460360 2.530362 0.000000 2.440340 4.094838 2.425486 6.014978 6.061762 4.705802 6.837455 6.404392 6.940294 3.636842 7.926922 1.522151 8.951551 8.392760 0.000000 2.441369 3.510856 3.490201 5.279461 5.801056 4.468248 6.136571 5.136129 7.029765 3.292704 8.131525 1.512196 9.374574 8.478920 2.411410 0.000000 3.460211 4.805643 2.426167 6.511463 7.040723 5.636500 7.234418 6.433816 8.189411 4.522726 9.309039 2.381407 10.482304 9.720136 2.436363 1.361768 0.000000 3.516065 5.123706 1.226793 6.970210 7.252708 5.831183 7.697205 7.162621 8.228863 4.740816 9.284711 2.396108 10.342705 9.749777 1.515194 2.308828 1.480207 0.000000 3.010533 3.360391 4.910684 4.773634 5.535579 4.385933 5.646040 4.246976 6.905074 3.343762 8.010220 2.591349 9.346676 8.264453 3.820773 1.486770 2.567504 3.768759 0.000000 4.786526 5.999263 3.076781 7.507316 8.212131 6.821531 8.118609 7.253779 9.411583 5.771718 10.570339 3.794819 11.765069 10.977249 3.847522 2.511911 1.459070 2.613787 3.144176 0.000000 5.885544 7.258785 3.062539 8.721364 9.419071 7.983315 9.241305 8.539078 10.555911 6.973745 11.727742 4.877071 12.864693 12.190969 4.581731 3.754890 2.505303 3.130104 4.481961 1.342549 0.000000 7.231986 8.490569 4.478690 9.816770 10.633412 9.223427 10.261932 9.501285 11.812587 8.251285 13.008817 6.266611 14.169620 13.459424 6.070271 5.015255 3.887694 4.624785 5.453139 2.505956 1.496097 0.000000 4.007309 2.616906 8.567716 2.178130 1.083649 2.190623 3.507643 2.676094 2.184177 2.696990 2.763515 5.056595 4.260034 2.761750 6.222946 5.867986 7.164965 7.415576 5.526451 8.338144 9.591759 10.798751 0.000000 2.439087 3.278881 6.770951 2.221697 2.243570 1.082790 2.678873 3.513386 2.774367 2.156407 4.046121 3.891108 5.000743 5.006686 4.594817 4.712085 5.709516 5.735243 4.859828 6.909745 7.962623 9.233305 3.096547 0.000000 4.492904 4.902668 8.472241 2.152103 3.501528 3.070974 1.094310 2.748141 4.123256 4.095549 5.364178 5.744730 6.265615 6.276705 6.720914 5.795511 6.801070 7.388207 5.236346 7.536432 8.614045 9.540998 4.317556 3.078134 0.000000 4.601295 5.027390 8.815073 2.184119 2.809202 2.714735 1.090716 3.489425 2.818920 4.116371 4.036642 6.029813 4.706556 5.219481 6.831062 6.493710 7.503776 7.777997 6.232226 8.468162 9.517612 10.605403 3.848926 2.406513 1.767896 0.000000 5.496590 5.321601 9.863104 2.152488 3.083083 3.474019 1.094931 2.809036 3.354197 4.725649 4.334472 6.820254 5.159930 5.184713 7.882258 7.078793 8.214811 8.739573 6.450993 9.048575 10.194383 11.158827 3.834819 3.676475 1.769554 1.769930 0.000000 3.936947 2.471932 8.167897 2.180038 2.730773 2.831862 3.487682 1.089848 4.152228 2.789523 4.979369 4.699649 6.433599 4.956912 6.153050 4.880500 6.230671 6.942409 3.993345 7.100825 8.424326 9.418899 2.396199 3.859596 3.768412 4.340041 3.795158 0.000000 3.996717 3.496670 7.953907 2.159734 3.469863 3.084013 2.799626 1.094902 4.758616 3.288101 5.841810 4.840947 7.145266 6.186102 6.203797 4.646180 5.868288 6.753609 3.611791 6.528147 7.790772 8.658825 3.654611 3.798767 2.568211 3.784947 3.198163 1.771184 0.000000 5.141049 4.106425 9.462076 2.143389 3.091734 3.525239 2.755640 1.094590 4.164917 4.089718 4.975777 6.119574 6.261967 5.138451 7.497933 6.186837 7.476371 8.246902 5.203259 8.226157 9.509946 10.402264 3.119015 4.341091 3.050213 3.778987 2.586639 1.768464 1.769762 0.000000 4.873102 4.899210 9.231498 2.896911 2.182950 2.795382 2.870163 4.340544 1.086931 4.164119 2.082532 6.282507 2.639023 3.489533 6.975378 7.182953 8.246953 8.229019 7.148578 9.446799 10.519806 11.771715 3.111853 2.560611 3.840414 2.236304 3.229382 4.787510 5.041601 4.641733 0.000000 2.076378 2.326071 4.163501 5.060029 5.005008 3.938547 6.248857 5.105252 6.145690 2.500598 7.012178 1.090930 8.268513 7.146035 2.183294 2.148930 3.061049 3.073472 2.919452 4.392902 5.500702 6.848992 4.829418 4.341108 6.284761 6.505421 7.151371 4.555227 5.067049 6.157033 6.503438 0.000000 7.370920 6.871619 11.456331 5.833285 4.535783 5.576860 6.120856 6.997228 3.205057 6.543119 2.154409 8.556999 1.096661 2.791329 9.099009 9.748480 10.814912 10.548092 9.841748 12.155911 13.226935 14.581933 4.775985 5.533258 7.168899 5.596591 6.171816 7.087549 7.930274 7.117790 3.410064 8.456178 0.000000 7.918013 7.272975 12.302763 5.588332 4.538203 5.802694 5.639905 6.629531 3.205564 6.957851 2.154779 9.203794 1.096584 2.790829 9.937747 10.213511 11.365310 11.305430 10.068632 12.611276 13.742833 15.012297 4.825987 5.862367 6.717080 5.233869 5.386228 6.872820 7.586359 6.489929 3.410598 9.148459 1.756730 0.000000 6.951665 6.802719 11.125951 5.056414 4.089965 4.986968 4.940034 6.373402 2.611024 6.226274 2.170124 8.293645 1.092399 3.482517 8.844751 9.338278 10.375419 10.200711 9.372358 11.635937 12.678422 13.974849 4.693890 4.747363 5.942555 4.254114 4.961344 6.727720 7.190487 6.462593 2.300006 8.403225 1.774973 1.775106 0.000000 5.865807 4.328646 10.280685 3.987109 2.713236 4.086387 5.020151 4.418598 2.719641 4.597734 2.187125 6.826713 3.493402 1.090049 7.882423 7.766441 9.047420 9.177861 7.460944 10.264177 11.513151 12.746632 2.045526 4.791585 5.990112 5.205127 5.027896 4.086124 5.487989 4.476676 3.795657 6.433177 3.802698 3.797683 4.337471 0.000000 7.358991 6.023492 11.840272 5.031686 3.857178 5.349972 5.669556 5.588442 3.241565 6.139884 2.145691 8.438744 2.775140 1.096344 9.426198 9.380697 10.651909 10.754145 9.051699 11.865068 13.102145 14.331295 3.538861 5.867551 6.730268 5.710651 5.412708 5.482630 6.672259 5.390146 4.116288 8.124474 3.124267 2.585738 3.779928 1.768754 0.000000 6.758183 5.521124 10.949921 5.294454 3.846834 5.096404 6.142488 6.010112 3.238418 5.656048 2.146994 7.718689 2.783803 1.096395 8.529226 8.861814 10.052677 9.946199 8.787449 11.369562 12.550011 13.869493 3.460491 5.532974 7.174887 6.041050 6.189861 5.738264 7.050792 6.122275 4.115079 7.326022 2.595746 3.135502 3.787018 1.770416 1.755724 0.000000 2.448271 4.466332 2.826137 5.853212 5.906924 4.499512 6.482419 6.466498 6.616387 3.733736 7.648822 2.164542 8.545131 8.295995 1.093488 3.043484 3.062316 2.130395 4.361055 4.394088 5.027983 6.502085 6.245536 4.142768 6.364583 6.324284 7.560341 6.376513 6.280066 7.542923 6.492320 2.985964 8.706280 9.556353 8.318409 7.906738 9.329278 8.449499 0.000000 3.130345 4.410999 2.711361 6.636421 6.457888 5.241544 7.560626 7.057070 7.254127 4.127928 8.104521 2.205663 9.091264 8.466598 1.090516 3.268166 3.264459 2.161072 4.634705 4.618178 5.252440 6.734898 6.513551 5.166129 7.559764 7.510712 8.582927 6.692806 6.977809 8.138842 7.359169 2.392438 9.110910 10.103147 9.052090 7.977484 9.531559 8.464928 1.770324 0.000000 3.362365 2.979609 5.467557 4.873944 5.469028 4.535595 5.957654 4.162572 6.901035 3.361774 7.884785 2.864785 9.294506 7.938909 4.230347 2.124892 3.251287 4.329405 1.095364 3.857307 5.190043 6.126685 5.246243 5.199086 5.698352 6.613578 6.673101 3.646051 3.705794 5.066122 7.304839 2.768699 9.748810 9.978285 9.447510 7.047455 8.701601 8.425575 4.913140 4.850687 0.000000 2.700677 3.083973 5.518672 3.803979 4.731714 3.594335 4.581834 3.324059 6.083132 2.839975 7.244306 2.850165 8.554854 7.601750 4.146951 2.127753 3.285690 4.339879 1.095337 3.938550 5.232094 6.197988 4.849860 4.072592 4.147114 5.206406 5.380065 3.278450 2.625204 4.289209 6.275587 3.289407 9.130475 9.239172 8.536622 6.851003 8.346239 8.215039 4.455468 5.023482 1.754481 0.000000 4.004235 4.415929 5.187117 5.555224 6.465577 5.328169 6.272335 4.897619 7.836850 4.392875 8.970863 3.526008 10.301180 9.238963 4.561344 2.158125 2.762114 4.175351 1.089035 2.789724 4.065657 4.789832 6.482713 5.754212 5.712795 6.909663 7.024777 4.733075 4.094858 5.752393 8.036588 3.900315 10.841668 10.991022 10.294590 8.422718 9.981895 9.805862 5.089123 5.412667 1.777994 1.771900 0.000000 5.076385 5.994607 4.132344 7.376155 8.201672 6.894406 7.988845 6.919179 9.484939 5.871379 10.646642 4.194471 11.904324 10.990786 4.585701 2.727893 2.161728 3.538925 2.802994 1.087310 2.084882 2.698316 8.278455 7.103498 7.356289 8.466436 8.838530 6.765571 6.115099 7.817933 9.575428 4.695432 12.362799 12.686061 11.815918 10.218736 11.815908 11.457212 5.157105 5.383203 3.463824 3.623360 2.120632 0.000000 5.992205 7.548283 2.377347 9.069856 9.655627 8.183787 9.576670 9.048451 10.698257 7.188489 11.850370 4.966642 12.914243 12.364869 4.336723 4.116948 2.762952 2.835172 5.109251 2.102869 1.084437 2.203926 9.867380 8.056622 9.001451 9.739263 10.580261 8.936257 8.369862 10.061721 10.611264 5.624280 13.209816 13.841861 12.690585 11.747552 13.320973 12.653687 4.694367 4.900822 5.818382 5.811910 4.871427 3.053399 0.000000 7.708747 9.148287 4.910635 10.208711 11.085426 9.638198 10.506528 9.976926 12.199397 8.786214 13.436738 6.871967 14.533496 13.989979 6.579764 5.659324 4.520025 5.147281 6.113941 3.223924 2.144454 1.096289 11.344878 9.545918 9.724086 10.791845 11.407075 10.000547 9.096203 10.861646 12.065875 7.566118 14.972181 15.378836 14.260956 13.328692 14.857444 14.426251 6.852150 7.298552 6.896882 6.730798 5.444247 3.463792 2.561885 0.000000 7.326127 8.378248 5.202507 9.614476 10.518726 9.173860 10.064510 9.145814 11.765726 8.215281 12.962999 6.416555 14.179318 13.359190 6.475038 5.027743 4.115127 5.127132 5.162134 2.656130 2.158502 1.093008 10.643195 9.280315 9.309971 10.510542 10.894337 9.062623 8.253658 9.981741 11.773962 6.943930 14.647844 14.968381 14.022553 12.598202 14.179162 13.829503 6.956543 7.194285 5.783047 5.902581 4.338182 2.386139 3.105119 1.776626 0.000000 7.963324 9.140427 4.765130 10.697938 11.439132 10.041790 11.221264 10.363003 12.628979 8.983579 13.788569 6.873346 14.963210 14.179466 6.580015 5.700929 4.523233 5.092306 6.209436 3.227160 2.144399 1.096267 11.544900 10.075502 10.539241 11.561299 12.127241 10.201378 9.557622 11.277810 12.626392 7.352337 15.325299 15.825594 14.801590 13.445715 15.072339 14.535674 7.094004 7.106172 6.766617 7.044139 5.584703 3.471086 2.560093 1.754490 1.776455 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2877,-.6498,.1963;.8313,-.1083,-1.6975;-4.6026,-2.3677,.5455;2.5482,1.5155,.4275;3.3145,.3199,-.0855;1.8921,.1243,.4474;2.877,2.1073,1.7849;2.0852,2.5519,-.5776;4.4479,-.2949,.6414;.802,-.211,-.483;5.5838,-.7695,.105;-1.4936,-.9814,-.5492;6.654,-1.3765,.9766;5.9187,-.7558,-1.3636;-2.2251,-2.1321,.1274;-2.4676,.1752,-.5302;-3.7059,-.213,-.1174;-3.6581,-1.6509,.2307;-2.0161,1.5215,-.9706;-4.8915,.6354,-.0581;-6.0891,.3082,.4528;-7.2643,1.2336,.4818;3.3648,.2767,-1.1671;1.7885,-.3149,1.4317;2.0168,2.6653,2.1673;3.1422,1.349,2.5227;3.7166,2.8044,1.6952;1.8877,2.1222,-1.5595;1.1728,3.0462,-.2282;2.8594,3.3174,-.6907;4.3323,-.3656,1.7199;-1.2092,-1.2183,-1.5754;6.8529,-2.4131,.679;7.6,-.8338,.8625;6.3781,-1.369,2.0336;5.1457,-.3065,-1.9871;6.8517,-.2051,-1.5314;6.094,-1.7776,-1.7206;-1.8404,-2.2916,1.1385;-2.1679,-3.0772,-.4138;-1.6724,1.4766,-2.0097;-1.156,1.8432,-.3735;-2.7949,2.2781,-.8877;-4.772,1.6339,-.4715;-6.2409,-.6775,.8785;-7.6021,1.3985,1.5117;-7.0335,2.2033,.0334;-8.1146,.7965,-.0546; 0.6711652 0.1004636 0.0944034 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 1092 RedAO= T EigKep= 1.09D-06 NBF= 1092 NBsUse= 1090 1.00D-06 EigRej= 3.74D-07 NBFU= 1090 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1146 1144 1144 1146 1146 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.653377699092 -965.709434067092 -0.056056368000 -965.709489273112 -0.000055206021 -965.709645412141 -0.000156139029 -965.709664728551 -0.000019316410 -965.709668231041 -0.000003502490 -965.709668341607 -0.000000110567 -965.709668369400 -0.000000027793 -965.709668369994 -0.000000000593 -965.709668370045 -0.000000000051 -965.709668370107 -0.000000000062 -965.709668370030 0.000000000077 -965.709668370 12 9.610748230160e+02 -5.750047225793e+03 2.071981631040e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321603134 LenY= 11320103734 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT14615.200S 2025-01-27T16:10:27.000 -19.17547 -19.12076 -19.11971 -10.31059 -10.26757 -10.24142 -10.20806 -10.19783 -10.19006 -10.18561 -10.18244 -10.17643 -10.17531 -10.17508 -10.17202 -10.16705 -10.15997 -10.15859 -10.15536 -10.15438 -10.15382 -10.15376 -1.11042 -1.04823 -1.02706 -0.88342 -0.87055 -0.80539 -0.80119 -0.76354 -0.74510 -0.73213 -0.70802 -0.68917 -0.68555 -0.67817 -0.66969 -0.63004 -0.58376 -0.57619 -0.55446 -0.55311 -0.53487 -0.52393 -0.50050 -0.48981 -0.48214 -0.47504 -0.46781 -0.45450 -0.44896 -0.43912 -0.43395 -0.42954 -0.42468 -0.42111 -0.41908 -0.41141 -0.40829 -0.40223 -0.39727 -0.39510 -0.38820 -0.38117 -0.37943 -0.37815 -0.37426 -0.36857 -0.36657 -0.36231 -0.36008 -0.35335 -0.35082 -0.32735 -0.31929 -0.31532 -0.31349 -0.29515 -0.28028 -0.26323 -0.23461 -0.22728 -0.06372 -0.01866 -0.01460 0.00415 0.01193 0.01458 0.01924 0.02270 0.02326 0.03103 0.03556 0.03933 0.04233 0.04578 0.04756 0.05222 0.05323 0.05430 0.05704 0.06092 0.06178 0.06637 0.06985 0.07364 0.07827 0.07938 0.08412 0.08467 0.08586 0.09117 0.09260 0.09747 0.10011 0.10203 0.10402 0.10829 0.11392 0.11647 0.11847 0.12192 0.12478 0.12837 0.13147 0.13475 0.13726 0.13962 0.14231 0.14348 0.14679 0.14959 0.15286 0.15496 0.15819 0.16355 0.16535 0.17090 0.17259 0.17486 0.17795 0.18094 0.18361 0.18437 0.18989 0.19056 0.19340 0.19631 0.19673 0.20030 0.20532 0.20913 0.20951 0.21233 0.21318 0.21457 0.21873 0.21987 0.22456 0.22636 0.22795 0.22963 0.23082 0.23272 0.23460 0.23645 0.23896 0.23980 0.24342 0.24671 0.24948 0.25046 0.25218 0.25747 0.25998 0.26144 0.26373 0.26823 0.27097 0.27179 0.27600 0.27705 0.28214 0.28389 0.28544 0.28826 0.29004 0.29175 0.29572 0.29837 0.30470 0.30629 0.30907 0.31061 0.31374 0.31670 0.31762 0.32135 0.32487 0.33086 0.33462 0.33702 0.33952 0.34473 0.34600 0.35283 0.35394 0.35673 0.36160 0.36323 0.36789 0.37009 0.37166 0.37360 0.38067 0.38232 0.38896 0.39470 0.39811 0.39833 0.40185 0.40473 0.40561 0.40883 0.41542 0.41786 0.41988 0.42635 0.42839 0.42964 0.43356 0.43742 0.44072 0.44601 0.45146 0.45377 0.45590 0.45798 0.46277 0.46663 0.46892 0.47364 0.48045 0.48231 0.48673 0.49033 0.49457 0.49666 0.50460 0.50870 0.51465 0.51777 0.52173 0.52580 0.53022 0.53505 0.53936 0.54153 0.54826 0.55315 0.55432 0.55672 0.55911 0.56124 0.56502 0.56682 0.57047 0.57192 0.57980 0.58120 0.58725 0.58894 0.59373 0.59566 0.59677 0.59838 0.60256 0.60405 0.60848 0.61236 0.61417 0.62038 0.62357 0.62689 0.62806 0.63079 0.63519 0.63968 0.64227 0.64440 0.64554 0.65354 0.65446 0.65625 0.65914 0.66510 0.66760 0.66956 0.67214 0.67523 0.67667 0.68064 0.68793 0.68906 0.69063 0.69344 0.69655 0.70593 0.71126 0.71320 0.71471 0.72071 0.72110 0.72677 0.72927 0.73684 0.74118 0.74413 0.74478 0.75141 0.75332 0.75808 0.76484 0.76530 0.77131 0.77900 0.78351 0.78788 0.79330 0.79827 0.80120 0.80619 0.80989 0.81127 0.82248 0.83013 0.83604 0.83995 0.84238 0.85200 0.86039 0.86337 0.86587 0.86906 0.87455 0.87945 0.88479 0.89042 0.89842 0.90618 0.90866 0.91049 0.91492 0.91979 0.92444 0.93062 0.93871 0.94171 0.94948 0.95614 0.96970 0.97225 0.97666 0.98355 0.98963 0.99258 0.99927 1.00170 1.00630 1.00855 1.01197 1.01816 1.02682 1.03180 1.03650 1.03991 1.04341 1.04450 1.04825 1.05991 1.06696 1.06882 1.07456 1.07813 1.08133 1.08854 1.09248 1.09765 1.09900 1.10200 1.10732 1.11048 1.11281 1.12142 1.12477 1.12621 1.12787 1.13099 1.13807 1.14174 1.14621 1.14991 1.15489 1.15855 1.16345 1.16505 1.17151 1.17394 1.18147 1.19080 1.19457 1.19785 1.19941 1.20478 1.20889 1.20987 1.21724 1.22217 1.22680 1.23027 1.23741 1.23958 1.24649 1.24686 1.25031 1.25795 1.26850 1.26903 1.27127 1.27622 1.28091 1.28164 1.28725 1.28903 1.29497 1.29700 1.30437 1.30615 1.31016 1.31675 1.32113 1.32289 1.32755 1.32949 1.33505 1.34574 1.34760 1.35230 1.36003 1.36188 1.36693 1.37134 1.37361 1.37555 1.38062 1.38795 1.38965 1.39090 1.40245 1.40752 1.40766 1.41261 1.41698 1.42578 1.42828 1.43121 1.44089 1.44746 1.44904 1.45118 1.45774 1.46129 1.46472 1.46867 1.47199 1.47927 1.48049 1.48211 1.48861 1.49555 1.50170 1.50383 1.51127 1.52049 1.52588 1.52629 1.53278 1.53825 1.54170 1.54853 1.55150 1.56166 1.56769 1.57226 1.57793 1.58260 1.58731 1.59390 1.60105 1.60234 1.61189 1.61494 1.62689 1.63223 1.64096 1.64875 1.65731 1.66393 1.67477 1.67584 1.68163 1.68944 1.69076 1.70046 1.70223 1.71367 1.72396 1.72827 1.73565 1.74178 1.74382 1.75616 1.76144 1.76295 1.78047 1.78951 1.79672 1.80233 1.81527 1.82545 1.83208 1.83658 1.85498 1.86594 1.86796 1.86997 1.87564 1.88604 1.89992 1.91019 1.92000 1.92137 1.92928 1.94295 1.94605 1.95059 1.95828 1.96392 1.96994 1.97508 1.98176 1.99579 2.00005 2.00252 2.01720 2.02320 2.03417 2.03565 2.03885 2.06059 2.06447 2.06594 2.07332 2.08904 2.09091 2.10312 2.10904 2.11748 2.13613 2.13872 2.14600 2.15562 2.16387 2.17241 2.17697 2.18662 2.19110 2.19257 2.21016 2.21903 2.22368 2.23061 2.23699 2.24879 2.25870 2.26603 2.27408 2.28469 2.29291 2.30498 2.31319 2.31822 2.33466 2.33740 2.34290 2.36102 2.37305 2.38565 2.38752 2.39802 2.42086 2.42351 2.44174 2.45555 2.47051 2.47761 2.48973 2.50716 2.52803 2.53520 2.54227 2.55784 2.59145 2.60046 2.62165 2.64610 2.65408 2.65831 2.67322 2.69475 2.69946 2.70560 2.71068 2.72681 2.74910 2.77334 2.78267 2.79000 2.80188 2.81232 2.81662 2.82229 2.82487 2.82762 2.83732 2.84045 2.84853 2.85256 2.86057 2.87167 2.88208 2.89455 2.89511 2.90333 2.91068 2.91144 2.92009 2.92525 2.93337 2.94426 2.94501 2.96020 2.96297 2.96649 2.97979 2.98137 2.98812 2.99281 2.99841 3.00055 3.00735 3.01271 3.02371 3.03395 3.03486 3.04410 3.05095 3.05206 3.05664 3.06264 3.07056 3.08049 3.08614 3.09097 3.09265 3.10365 3.10722 3.11074 3.12242 3.13334 3.13499 3.14886 3.15468 3.16034 3.17080 3.17648 3.18316 3.18726 3.19436 3.19766 3.20389 3.21571 3.22492 3.22703 3.23465 3.24286 3.24621 3.25181 3.25965 3.26309 3.27100 3.27345 3.27858 3.27906 3.28802 3.28965 3.29533 3.30598 3.31304 3.31922 3.32591 3.33326 3.33877 3.34363 3.34626 3.35265 3.35658 3.36223 3.36813 3.37320 3.37467 3.38275 3.39693 3.40239 3.41669 3.42388 3.43084 3.43615 3.44863 3.45894 3.46939 3.47730 3.50172 3.50576 3.51586 3.51932 3.52924 3.53858 3.54066 3.56770 3.57111 3.58166 3.58237 3.58859 3.59458 3.59883 3.60261 3.62719 3.62854 3.63818 3.64648 3.65556 3.66098 3.68520 3.69248 3.69437 3.69841 3.70562 3.71483 3.72664 3.73446 3.73794 3.74010 3.75429 3.75880 3.75964 3.77446 3.78251 3.80438 3.81088 3.82753 3.84233 3.84773 3.85978 3.86907 3.87655 3.89065 3.90993 3.91615 3.92149 3.93322 3.93561 3.94248 3.95835 3.96404 3.98083 3.98861 3.99336 4.00555 4.01218 4.04324 4.05122 4.05673 4.06278 4.06996 4.07791 4.08686 4.10497 4.12496 4.13314 4.14114 4.15827 4.16602 4.17404 4.19674 4.20686 4.21350 4.24011 4.24924 4.25635 4.26855 4.27405 4.28085 4.28977 4.30840 4.31270 4.33518 4.33981 4.34261 4.34544 4.34954 4.35160 4.35929 4.36209 4.36668 4.36903 4.37266 4.38078 4.38194 4.38383 4.38754 4.39464 4.40426 4.41273 4.42812 4.43549 4.43733 4.44156 4.44773 4.45176 4.46857 4.47919 4.48756 4.50073 4.50695 4.50804 4.51989 4.52517 4.53224 4.54370 4.54963 4.55863 4.56256 4.56901 4.57371 4.57854 4.59075 4.59276 4.60065 4.60585 4.62025 4.62701 4.63553 4.65001 4.65854 4.66301 4.67255 4.67665 4.68615 4.70225 4.70647 4.72965 4.74015 4.75982 4.76535 4.77932 4.78083 4.79081 4.79343 4.80598 4.81470 4.81957 4.85723 4.87334 4.89210 4.90754 4.91498 4.94431 4.95908 4.98781 5.00114 5.02946 5.07724 5.10015 5.10588 5.11604 5.12486 5.17419 5.21329 5.23394 5.30832 5.32001 5.34044 5.35018 5.37812 5.40458 5.43859 5.44435 5.47413 5.50371 5.51473 5.54165 5.54326 5.55527 5.56431 5.59081 5.60132 5.62708 5.63458 5.65124 5.66427 5.69538 5.70964 5.72202 5.73939 5.75023 5.76504 5.76606 5.77036 5.77394 5.78008 5.78626 5.80143 5.80587 5.81609 5.82027 5.82811 5.84975 5.85832 5.86723 5.88143 5.91001 5.92391 5.96791 6.01732 6.02645 6.04614 6.12767 6.16921 6.23342 6.29933 6.34501 6.44407 6.61481 6.61655 6.75305 6.95011 7.07563 7.10287 7.12016 7.14070 7.14786 7.17422 7.19363 7.20054 7.23524 7.23710 7.25723 7.27794 7.29270 7.29369 7.30210 7.30570 7.31135 7.32514 7.35220 7.35730 7.36985 7.38046 7.38712 7.40390 7.41618 7.43102 7.44140 7.45105 7.46073 7.46258 7.47485 7.50168 7.50823 7.51794 7.57128 7.58024 7.58380 7.61012 7.61895 7.64416 7.66104 7.67189 7.71727 7.71966 7.72620 7.74602 7.75723 7.76489 7.77741 7.79076 7.80698 7.81213 7.83307 7.85644 7.86600 7.89176 7.93206 7.93798 7.94587 7.96924 7.99803 8.02586 8.03012 8.05287 8.05847 8.06411 8.07480 8.08399 8.09953 8.10672 8.11492 8.12485 8.13358 8.14769 8.15770 8.16643 8.23545 8.24301 8.28368 8.31250 8.34096 8.40589 8.42272 8.45319 8.46459 8.49823 8.60386 8.61098 8.62512 8.65028 8.70334 8.74320 8.76166 8.81607 9.04360 9.30192 14.40176 14.43612 14.44368 14.45475 14.47183 14.49953 14.61222 14.66334 14.69123 14.79853 14.81140 14.97374 15.03817 15.09995 15.22017 24.20648 24.25916 24.32837 24.34317 24.44963 24.45611 24.46632 24.53234 24.54196 24.54601 24.59696 24.66949 24.69872 24.76553 25.07937 25.15297 25.56788 25.72677 25.75095 50.25768 50.41444 50.50125 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.526047 -0.783511 -0.889263 0.351728 0.300369 -0.213853 -0.482722 -0.583633 -0.662054 0.443073 0.447835 0.699894 -0.586873 -0.561063 -0.296729 0.274288 0.280728 -0.116981 -0.599670 -0.074587 -0.142981 -0.566115 0.149597 0.136115 0.153688 0.162139 0.153961 0.166624 0.163846 0.149725 0.153409 0.176115 0.167831 0.169105 0.141939 0.164788 0.166636 0.165553 0.200085 0.172961 0.186995 0.230294 0.160927 0.147130 0.163535 0.167183 0.146991 0.170993 -0.00000 3.9250 4.2440 0.8402 5.8415 -136.9403 -135.6129 -136.8828 -20.8710 7.7754 2.1723 -0.4616 0.8658 -0.4041 -20.8710 7.7754 2.1723 112.5400 21.2227 11.8390 37.6241 101.3726 -16.6102 2.7473 -3.5094 -13.6753 -9.4468 -12969.7478 -1700.8605 -786.6583 -679.0076 -83.4029 -117.1164 27.4455 14.0999 -10.5883 -2726.9359 -2383.2630 -407.7473 55.1290 39.5987 2.1811 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GALAPAGAR APULGAR 2025-01-27T00:00:00.000 0 Single Point Allethrin_RR CONF2 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.7096684 RMSD=1.516e-09 Dipole=1.5776461,1.6058178,0.4628221 Quadrupole=-0.9496808,1.003242,-0.0535613,-15.910046,4.5154402,1.6258729 PG=C01 [X(C19H26O3)] 0 -0.2297080197 -0.6379676595 0.1528537266 0 0.897770918 0.0356200109 -1.6930257577 0 -4.5776348157 -2.2929694098 0.3712292756 0 2.6492474991 1.4442696837 0.5538983441 0 3.3909164867 0.2800561178 -0.0580974508 0 1.9654289273 0.0693947457 0.4608166868 0 2.9912845897 1.915398904 1.9545662792 0 2.205884195 2.5690494691 -0.3610171229 0 4.512548987 -0.4149046091 0.6125047437 0 0.867820794 -0.1662911803 -0.4910214879 0 5.6381837582 -0.8660473275 0.035654449 0 -1.4428386851 -0.8829819539 -0.6141142365 0 6.6970322362 -1.5640289065 0.8512216557 0 5.9715939671 -0.7379526776 -1.4278283667 0 -2.1963452831 -2.0708630872 -0.0326419883 0 -2.3935031234 0.2871760635 -0.4970557456 0 -3.6388189396 -0.109108924 -0.1142241534 0 -3.6193572543 -1.5714968621 0.1139303576 0 -1.9156181398 1.6560288525 -0.8262254692 0 -4.8071225131 0.7548558244 0.0181277078 0 -6.0104820275 0.4104643549 0.5036758694 0 -7.1669296737 1.3534239592 0.6121340518 0 3.4390580732 0.3253098706 -1.1397307037 0 1.8542288868 -0.4473061644 1.4058501268 0 2.1429041471 2.4569282146 2.3841135322 0 3.2421620326 1.0937317518 2.6265663563 0 3.844533419 2.6007224235 1.9203217536 0 1.9986642871 2.2258218025 -1.374438295 0 1.3039675625 3.0507488973 0.0305477498 0 2.9950824882 3.3257610877 -0.4127989135 0 4.3968688885 -0.5721193862 1.6817664853 0 -1.164372676 -1.0399642407 -1.6571585111 0 6.8747790448 -2.5762791625 0.4685713195 0 7.6535866621 -1.0326425411 0.7796100165 0 6.4224902941 -1.6382471494 1.9059511769 0 5.2070149894 -0.22345619 -2.00999634 0 6.9152422827 -0.1938676544 -1.5522013995 0 6.1260206947 -1.730018631 -1.8683285587 0 -1.813818697 -2.3207748372 0.96080346 0 -2.1586627817 -2.968946696 -0.650097292 0 -1.574119178 1.6902379032 -1.8664321508 0 -1.0486010952 1.9102772239 -0.2070297953 0 -2.6790804985 2.4185662086 -0.6790569792 0 -4.6681551013 1.7815189229 -0.3118623822 0 -6.1814668171 -0.6038607826 0.8470584918 0 -7.5001216502 1.4393788592 1.6530199825 0 -6.917277911 2.3520392979 0.2445648705 0 -8.0263902663 0.9789420208 0.0438976546