Gaussian 16 GINC-HORCAJUELO LAMSABHI Optimization 15-agua/ CONF349 water EM64L-G16RevC.01 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 45 45 75 75 510 (5D, 7F) 6-311+G(d,p) 129 129 C1[X(H30O15)] C1[X(H30O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 239.99100000000004 0 1 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2196,.0202,3.6617;-.2103,.543,-3.0647;-.2508,2.6153,-2.6403;.1381,2.7227,2.9769;1.0755,2.9392,2.959;-.5212,2.1993,.3532;-1.3638,1.7061,.4723;-.1086,2.6541,2.0332;-.5879,2.6785,-.5062;.2969,1.2236,-3.5394;1.2048,1.0805,-3.209;-.5734,3.3633,-2.0859;-1.4985,3.4638,-2.33;-2.8421,.8428,.824;-3.0223,.3033,.0472;-2.5675,.1939,1.509;-3.0404,-1.9205,-1.0829;-3.209,-2.564,-1.778;-2.6165,-2.4331,-.3555;2.084,1.2309,.3337;2.3193,1.0268,-.5945;1.1486,1.5146,.3091;-1.9913,-.9908,2.6459;-2.6152,-1.1298,3.3655;-1.169,-.6148,3.0661;-.7535,-.6038,-1.6604;-1.6302,-1.038,-1.5285;-.7289,.1012,-1.0039;2.7066,.6059,-2.281;2.8124,-.3777,-2.285;3.5514,.9624,-2.5732;1.8907,-.9964,1.7021;2.0252,-.1554,1.1817;2.7705,-1.2787,1.9727;-1.6796,-3.152,.93;-.796,-3.0414,.5426;-1.7465,-2.4364,1.5934;.8632,-2.4518,-.3947;1.2334,-1.976,.3796;.3074,-1.7855,-.8533;2.9003,-2.0724,-2.2146;2.2049,-2.2889,-1.556;.8718,-.3545,3.036;2.5388,-2.3726,-3.0545;.1853,.975,3.4442; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6372147/Gau-232655.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6372147/" chk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF349/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 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=41/1,2,3 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=41/1,2,3 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 15-agua/ CONF349 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 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 (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 R50 1 1 1 2 2 3 3 4 4 4 6 6 6 6 7 9 10 11 12 14 14 16 17 17 17 19 20 20 20 21 23 23 23 26 26 26 29 29 30 32 32 32 32 35 35 38 38 38 41 41 25 43 45 10 26 10 12 5 8 45 7 8 9 22 14 12 11 29 13 15 16 23 18 19 27 35 21 22 33 29 24 25 37 27 28 40 30 31 41 33 34 39 43 36 37 39 40 42 42 44 1.6389 0.9784 0.9799 0.9726 1.8927 1.745 0.9854 0.9622 0.9779 1.8097 0.9836 1.7887 0.9862 1.8053 1.7477 1.7219 0.9766 1.8281 0.962 0.9628 0.9827 1.7401 0.9622 0.9856 1.7222 1.7456 0.9791 0.9777 1.6261 1.7808 0.9625 0.9971 1.8048 0.9872 0.9636 1.7814 0.9893 0.9624 1.6984 0.9981 0.9627 1.7722 1.797 0.9712 0.9781 0.9814 0.9814 1.7819 0.982 0.9624 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 25 25 43 10 5 5 8 7 7 7 8 8 9 2 2 3 3 3 9 7 7 15 18 18 19 21 21 22 16 16 16 24 24 25 2 2 2 27 27 28 11 11 11 21 21 30 33 33 33 34 34 39 19 19 36 39 39 40 30 30 42 1 1 1 2 4 4 4 6 6 6 6 6 6 10 10 10 12 12 12 14 14 14 17 17 17 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 38 38 38 41 41 41 43 45 45 26 8 45 45 8 9 22 9 22 22 3 11 11 9 13 13 15 16 16 19 27 27 22 33 33 24 25 37 25 37 37 27 28 40 28 40 40 21 30 31 30 31 31 34 39 43 39 43 43 36 37 37 40 42 42 42 44 44 100.6039 105.5043 104.7476 159.3655 104.097 101.3383 100.8372 102.2012 106.9383 127.2404 135.269 84.6048 103.0367 98.221 102.5367 103.5566 102.5364 104.5553 105.4434 105.8258 103.2997 104.1633 105.1069 107.4102 96.0478 105.4627 108.9868 103.0563 111.8417 106.9615 102.0792 105.8977 114.0943 115.85 128.3484 93.1447 124.5535 104.6797 100.1753 99.295 103.9299 110.1117 118.0927 105.1911 113.0152 105.8526 105.6911 97.2727 99.3505 112.7434 114.4717 122.755 98.4918 99.2943 104.4461 104.6662 100.7104 93.4319 102.1869 104.8123 104.5061 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 10 6 4 6 10 14 17 20 6 1 17 29 20 23 32 26 38 1 1 10 6 4 6 10 14 17 20 6 1 17 29 20 23 32 26 38 1 1 3 7 8 9 11 16 19 21 22 25 27 30 33 37 39 40 42 43 45 3 7 8 9 11 16 19 21 22 25 27 30 33 37 39 40 42 43 45 12 14 6 12 29 23 35 29 20 23 26 41 32 35 38 38 41 32 4 12 14 6 12 29 23 35 29 20 23 26 41 32 35 38 38 41 32 4 1 1 23 17 4 4 4 3 1 2 1 1 4 2 3 1 2 5 2 1 1 23 17 4 4 4 3 1 2 1 1 4 2 3 1 2 5 2 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 176.658 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 176.2191 171.0071 177.2014 171.1664 179.6578 172.6215 179.7974 179.9483 176.3967 172.6998 176.3592 176.6223 174.4854 175.4459 179.5408 172.8071 178.6736 177.8934 181.301 177.2879 185.9127 186.8822 169.9113 184.0397 184.7494 182.1394 186.1486 179.6139 174.2822 178.1111 175.1299 185.5373 179.2421 177.9608 176.7002 188.6751 180.6353 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 25 25 43 43 43 43 43 45 45 45 25 25 25 45 45 45 26 26 10 10 10 5 5 5 45 45 45 7 7 8 8 22 22 8 8 9 9 22 22 7 7 8 8 9 9 2 2 11 11 2 2 2 3 3 3 7 7 7 15 15 15 18 18 18 19 19 19 18 18 27 27 22 22 22 33 33 33 21 21 21 22 22 22 16 16 24 24 25 25 2 2 27 27 28 28 11 11 21 21 31 31 33 33 34 34 43 43 39 39 40 40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 4 4 4 4 23 23 23 23 23 23 32 32 32 32 32 32 10 10 26 26 26 6 6 6 6 6 6 12 12 12 12 12 12 14 14 14 14 14 14 20 20 20 20 20 20 12 12 12 12 29 29 29 29 29 29 23 23 23 23 23 23 26 26 26 26 26 26 35 35 35 35 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 41 41 41 41 41 41 38 38 38 38 38 38 41 41 41 41 5 8 5 8 16 24 37 16 24 37 33 34 39 33 34 39 3 11 27 28 40 7 9 22 7 9 22 3 13 3 13 3 13 15 16 15 16 15 16 21 33 21 33 21 33 9 13 9 13 21 30 31 21 30 31 24 25 37 24 25 37 2 28 40 2 28 40 36 37 36 37 11 30 31 11 30 31 34 39 43 34 39 43 19 36 19 36 19 36 39 42 39 42 39 42 42 44 42 44 42 44 40 42 40 42 40 42 30 44 30 44 -154.5597 -47.8412 -49.4218 57.2966 -91.1546 149.0015 20.4115 17.0468 -102.7971 128.6129 103.8425 -143.7271 0.4156 -3.7052 108.7252 -107.1321 -69.3485 36.5987 157.5864 46.0506 -57.4965 161.7869 -66.4083 35.1441 58.939 -169.2563 -67.7038 -84.7359 23.9938 141.5256 -109.7447 49.4331 158.1628 -161.9226 -52.6722 52.8507 162.1011 -71.7299 37.5205 91.907 -24.1726 -168.002 75.9183 -33.0575 -149.1371 39.5816 -69.5428 -65.1404 -174.2649 -64.3301 45.7276 169.1666 35.0817 145.1394 -91.4216 140.081 24.008 -97.4525 -110.4917 133.4353 11.9747 63.4722 171.5914 -87.642 170.4099 -81.4709 19.2958 84.6929 -169.7447 -23.9947 81.5678 5.0705 -110.3728 134.5902 114.4964 -0.9469 -115.9839 81.9543 -34.7437 -158.9556 -167.1399 76.1621 -48.0499 -14.7617 85.2242 104.7874 -155.2267 -129.5578 -29.5719 92.506 -9.89 -114.8507 142.7533 -8.1246 -110.5206 -74.6576 33.7296 35.4616 143.8488 155.4706 -96.1422 -38.6652 56.9708 -148.5349 -52.8989 66.3135 161.9494 -62.3184 -169.7893 42.7614 -64.7096 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 525 A 510 A 780 525 1451.2490647483 45 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=141 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= 510 RedAO= T EigKep= 1.24D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Berny optimization. local minimum Step number 35 out of a maximum of 270 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00093 0.00141 0.00230 0.00240 0.00265 0.00288 0.00291 0.00314 0.00353 0.00380 0.00380 0.00437 0.00451 0.00520 0.00564 0.00613 0.00628 0.00697 0.00793 0.00849 0.00975 0.01324 0.01434 0.01544 0.01839 0.02011 0.02142 0.02150 0.02581 0.02614 0.02852 0.03070 0.03248 0.03448 0.03505 0.03631 0.03719 0.03790 0.03957 0.04075 0.04121 0.04203 0.04317 0.04403 0.04519 0.04651 0.04784 0.04940 0.04977 0.05126 0.05217 0.05323 0.05335 0.05457 0.05558 0.05672 0.05810 0.05832 0.05923 0.06006 0.06130 0.06137 0.06233 0.06307 0.06369 0.06459 0.06518 0.06630 0.06668 0.06731 0.06803 0.06910 0.07000 0.07108 0.07272 0.07340 0.07402 0.07570 0.07634 0.07742 0.07884 0.07979 0.08078 0.08225 0.08295 0.08489 0.08623 0.08908 0.09120 0.09347 0.09621 0.10210 0.10496 0.11245 0.11404 0.14069 0.14428 0.22390 0.28961 0.40912 0.43502 0.43975 0.45329 0.46867 0.47437 0.48127 0.48699 0.48802 0.49071 0.49105 0.49724 0.49834 0.50133 0.50258 0.50704 0.50851 0.51712 0.52630 0.53416 0.54179 0.54806 0.54908 0.54957 0.54967 0.54999 0.55039 0.55197 0.55354 0.62795 -2.47358571e-07 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 R50 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 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 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 3.23616 1.85239 1.85554 1.84842 3.48781 3.39132 1.86201 1.82423 1.85722 3.42652 1.86890 3.38891 1.85809 3.56779 3.30301 3.39711 1.84942 3.47487 1.82360 1.84492 1.85458 3.41230 1.82294 1.86698 3.42407 3.33892 1.85387 1.84107 3.23665 3.39787 1.82374 1.87450 3.45085 1.85226 1.84862 3.34879 1.86587 1.82384 3.31717 1.87432 1.82414 3.40379 3.42500 1.84899 1.85204 1.85581 1.86209 3.41609 1.85941 1.82408 1.81704 1.83502 1.82258 2.81011 1.82842 1.87418 1.72807 1.76527 1.89087 2.53530 2.03186 1.35433 1.79544 1.67224 1.79222 1.92242 1.72392 1.83595 1.97019 1.82468 1.77778 1.80735 1.86494 2.23184 1.71079 1.84740 1.87661 1.77781 2.06208 1.90496 1.61284 1.85224 2.04261 1.98462 2.21903 1.61401 2.17025 1.82669 1.76515 1.76504 1.62072 1.93497 2.14035 1.85664 2.03783 1.85277 1.85282 1.68156 1.74035 2.01204 2.05765 2.03451 1.75453 1.74549 1.83272 1.83046 1.72229 1.62215 1.81865 1.91842 1.83482 3.02142 3.02296 3.00779 3.16062 3.02610 3.15368 2.91109 3.19335 3.09300 3.06387 2.89534 3.04599 3.05863 3.06262 3.04510 3.15343 3.04016 3.06372 3.06388 3.19324 3.24998 3.18186 3.46997 2.93797 3.28174 3.21292 3.15955 3.21190 3.14235 3.06169 3.10317 2.99083 3.23357 3.14049 3.09421 3.04057 3.26121 3.11319 -2.77411 -0.88583 -0.88791 1.00037 -1.60793 2.42644 0.13668 0.29184 -1.95698 2.03645 1.86541 -2.42891 0.10689 -0.02222 1.96665 -1.78074 -1.15464 0.80356 2.60966 0.68069 -1.15682 3.13576 -1.09809 0.61022 1.22208 -3.01177 -1.30346 -1.83294 0.07899 2.33316 -2.03810 0.98254 2.89447 -2.74988 -0.89230 1.34942 -3.07617 -1.29498 0.56261 1.82557 -0.15236 -2.89910 1.40615 -0.90373 -2.88166 0.52343 -1.48973 -1.30524 2.96479 -1.13588 0.73887 2.96605 0.57062 2.44537 -1.61063 2.53038 0.38311 -1.62646 -1.89031 2.24562 0.23605 0.81227 2.63479 -1.86718 2.85111 -1.60955 0.17166 2.07771 -2.35121 -0.25699 1.59727 0.29761 -1.67271 2.55992 2.18437 0.21405 -1.83650 1.30195 -0.77396 -2.82024 -3.06359 1.14368 -0.90260 -0.18039 1.61048 1.95499 -2.53733 -2.12140 -0.33053 1.54225 -0.20711 -2.10321 2.43062 -0.22828 -1.97764 -1.19045 0.75613 0.51791 2.46450 2.69713 -1.63947 -0.57195 1.08045 -2.50149 -0.84910 1.22891 2.88131 -1.11318 -3.11009 0.72168 -1.27522 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00002 -0.00003 0.00001 -0.00002 0.00001 -0.00002 0.00001 -0.00000 0.00001 -0.00002 0.00001 -0.00002 0.00002 -0.00001 0.00000 -0.00002 -0.00002 0.00001 -0.00000 -0.00002 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00002 0.00001 -0.00002 -0.00001 0.00000 -0.00002 -0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00003 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00001 0.00000 0.00002 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00002 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 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 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00002 0.00001 0.00002 0.00000 -0.00000 -0.00001 -0.00002 -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 0.00001 -0.00000 0.00001 -0.00000 -0.00002 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00010 0.00001 0.00001 -0.00001 0.00001 0.00005 -0.00001 -0.00000 0.00002 -0.00009 0.00002 -0.00041 0.00001 0.00000 0.00009 -0.00026 0.00000 -0.00020 -0.00000 0.00009 0.00003 -0.00039 0.00000 0.00004 -0.00046 -0.00028 0.00002 -0.00000 -0.00009 -0.00032 -0.00001 -0.00001 -0.00004 0.00002 0.00002 -0.00007 0.00002 0.00000 -0.00020 0.00000 -0.00000 -0.00032 -0.00022 0.00001 0.00000 0.00003 0.00002 -0.00043 0.00004 0.00000 0.00012 0.00008 0.00001 -0.00010 0.00004 -0.00035 -0.00000 0.00019 0.00010 -0.00007 0.00015 0.00017 -0.00025 -0.00010 -0.00004 0.00020 0.00024 0.00006 -0.00029 -0.00009 0.00009 -0.00010 -0.00006 0.00070 0.00035 0.00003 -0.00032 -0.00026 0.00019 0.00007 -0.00000 0.00002 -0.00013 -0.00014 0.00041 0.00002 -0.00006 -0.00008 -0.00009 -0.00047 -0.00001 0.00005 0.00000 0.00022 -0.00021 -0.00002 0.00002 0.00007 0.00019 -0.00031 0.00009 0.00006 -0.00029 0.00007 -0.00002 -0.00002 -0.00002 0.00009 -0.00014 -0.00025 0.00000 -0.00006 -0.00040 0.00020 0.00010 -0.00022 0.00048 -0.00002 -0.00004 -0.00004 -0.00035 0.00016 -0.00011 -0.00020 -0.00008 -0.00016 0.00023 0.00021 0.00014 -0.00030 -0.00027 -0.00010 -0.00012 0.00012 0.00015 0.00019 -0.00001 -0.00002 0.00060 0.00020 -0.00016 -0.00010 -0.00002 0.00005 0.00006 -0.00001 -0.00000 -0.00018 0.00016 -0.00016 -0.00026 -0.00007 -0.00016 0.00038 0.00011 0.00023 0.00040 0.00013 0.00025 0.00022 0.00043 -0.00000 0.00006 0.00026 -0.00017 0.00025 0.00042 -0.00057 -0.00062 -0.00003 -0.00043 -0.00012 -0.00032 -0.00011 0.00020 -0.00000 0.00048 0.00063 0.00001 0.00017 0.00001 0.00016 0.00073 0.00061 0.00041 0.00029 0.00092 0.00080 -0.00070 -0.00042 -0.00037 -0.00009 -0.00016 0.00012 -0.00009 0.00008 -0.00005 0.00012 -0.00023 -0.00001 0.00013 -0.00034 -0.00012 0.00002 0.00016 -0.00022 -0.00004 0.00004 -0.00034 -0.00017 -0.00056 -0.00033 -0.00084 0.00005 0.00028 -0.00023 0.00129 0.00123 0.00021 0.00015 0.00056 0.00047 0.00044 0.00014 0.00005 0.00003 -0.00033 -0.00006 -0.00015 -0.00049 -0.00022 -0.00031 0.00006 -0.00025 0.00023 -0.00007 0.00002 -0.00028 -0.00012 -0.00011 0.00040 0.00041 0.00019 0.00020 -0.00004 -0.00022 0.00002 -0.00017 -0.00010 -0.00029 -0.00013 -0.00006 -0.00009 -0.00002 0.00010 0.00018 -0.00004 0.00025 -0.00004 0.00025 -0.00006 -0.00002 -0.00002 0.00001 -0.00014 -0.00024 0.00000 -0.00001 -0.00003 0.00012 -0.00003 0.00023 -0.00002 0.00006 0.00006 0.00016 -0.00001 0.00015 -0.00001 -0.00000 -0.00002 0.00026 -0.00001 -0.00002 0.00021 -0.00003 -0.00003 -0.00002 0.00019 0.00021 -0.00000 -0.00000 -0.00009 -0.00002 -0.00003 0.00028 -0.00002 -0.00001 0.00014 -0.00003 -0.00000 0.00018 0.00014 -0.00003 0.00000 -0.00002 -0.00004 0.00002 -0.00002 -0.00001 0.00004 0.00000 -0.00000 0.00010 -0.00002 0.00009 -0.00001 -0.00001 -0.00003 0.00002 -0.00004 0.00001 0.00002 -0.00007 0.00001 0.00007 -0.00013 0.00001 0.00010 -0.00013 -0.00007 -0.00002 0.00018 0.00016 0.00002 -0.00001 0.00006 0.00005 0.00001 -0.00001 -0.00004 -0.00001 0.00002 0.00002 0.00004 -0.00008 -0.00009 -0.00000 -0.00000 0.00020 0.00000 -0.00005 0.00001 0.00004 0.00001 -0.00000 -0.00003 -0.00004 -0.00013 0.00005 0.00009 -0.00002 0.00019 0.00006 -0.00000 0.00001 0.00020 0.00010 -0.00006 0.00011 0.00001 0.00039 0.00010 -0.00012 -0.00019 -0.00019 -0.00012 -0.00000 0.00016 0.00006 0.00023 0.00002 0.00015 0.00003 0.00013 -0.00003 0.00005 -0.00015 0.00018 0.00002 -0.00002 0.00015 0.00001 0.00006 -0.00003 -0.00000 0.00016 0.00007 -0.00007 0.00005 0.00009 0.00011 0.00004 0.00000 -0.00017 -0.00005 -0.00006 0.00016 0.00002 0.00011 0.00011 0.00016 0.00016 -0.00007 -0.00003 -0.00003 -0.00002 0.00001 0.00002 -0.00012 -0.00017 -0.00001 -0.00013 -0.00017 -0.00001 0.00021 0.00026 0.00007 0.00013 -0.00004 0.00014 0.00008 0.00012 0.00006 0.00001 0.00004 -0.00005 -0.00013 -0.00006 -0.00014 -0.00007 -0.00015 -0.00003 -0.00011 -0.00002 -0.00010 0.00011 0.00003 0.00005 -0.00001 0.00009 0.00003 0.00006 -0.00001 0.00004 -0.00007 0.00000 -0.00011 -0.00007 -0.00005 -0.00005 -0.00017 -0.00015 -0.00015 -0.00019 -0.00015 -0.00016 -0.00035 -0.00031 -0.00032 -0.00033 -0.00046 -0.00024 0.00007 -0.00006 0.00015 -0.00002 0.00002 -0.00026 -0.00023 -0.00002 0.00002 0.00003 0.00005 0.00008 0.00009 0.00004 0.00002 0.00005 0.00008 0.00005 0.00009 -0.00001 0.00024 -0.00000 0.00024 -0.00000 0.00024 0.00008 -0.00017 0.00000 -0.00025 0.00005 -0.00020 -0.00014 -0.00010 -0.00009 -0.00004 -0.00006 -0.00002 0.00002 0.00015 0.00009 0.00023 -0.00016 -0.00003 -0.00003 -0.00008 -0.00000 -0.00006 -0.00015 -0.00001 -0.00001 -0.00000 -0.00012 -0.00019 -0.00000 -0.00001 -0.00001 0.00003 -0.00001 -0.00018 -0.00001 0.00007 0.00016 -0.00011 -0.00001 -0.00005 -0.00002 0.00009 0.00001 -0.00013 -0.00001 0.00001 -0.00025 -0.00031 -0.00000 -0.00002 0.00009 -0.00011 -0.00001 -0.00001 -0.00014 -0.00000 -0.00001 0.00021 -0.00001 -0.00001 -0.00006 -0.00002 -0.00001 -0.00014 -0.00008 -0.00003 0.00001 0.00001 -0.00002 -0.00041 0.00002 -0.00001 0.00016 0.00008 0.00001 -0.00000 0.00002 -0.00025 -0.00001 0.00019 0.00007 -0.00005 0.00011 0.00018 -0.00023 -0.00017 -0.00003 0.00026 0.00010 0.00006 -0.00019 -0.00023 0.00002 -0.00012 0.00011 0.00086 0.00037 0.00003 -0.00026 -0.00021 0.00021 0.00006 -0.00004 0.00001 -0.00011 -0.00013 0.00045 -0.00006 -0.00015 -0.00008 -0.00009 -0.00027 -0.00001 -0.00000 0.00001 0.00026 -0.00021 -0.00002 -0.00001 0.00002 0.00006 -0.00026 0.00017 0.00004 -0.00010 0.00013 -0.00003 -0.00001 0.00018 0.00020 -0.00020 -0.00014 0.00001 0.00033 -0.00030 0.00008 -0.00009 -0.00041 0.00036 -0.00002 0.00012 0.00001 -0.00012 0.00018 0.00004 -0.00017 0.00005 -0.00018 0.00028 0.00006 0.00032 -0.00028 -0.00029 0.00005 -0.00011 0.00018 0.00013 0.00019 0.00015 0.00005 0.00052 0.00025 -0.00007 0.00001 0.00002 0.00005 -0.00010 -0.00005 -0.00006 -0.00002 0.00018 -0.00006 -0.00015 0.00009 -0.00000 0.00030 0.00007 0.00020 0.00038 0.00015 0.00027 0.00010 0.00026 -0.00001 -0.00007 0.00009 -0.00018 0.00046 0.00068 -0.00050 -0.00049 -0.00007 -0.00029 -0.00004 -0.00020 -0.00004 0.00020 0.00004 0.00043 0.00050 -0.00004 0.00003 -0.00006 0.00001 0.00070 0.00050 0.00039 0.00019 0.00103 0.00083 -0.00065 -0.00044 -0.00027 -0.00006 -0.00010 0.00011 -0.00005 0.00000 -0.00005 0.00001 -0.00030 -0.00005 0.00008 -0.00051 -0.00027 -0.00014 -0.00003 -0.00037 -0.00020 -0.00031 -0.00066 -0.00049 -0.00089 -0.00079 -0.00109 0.00012 0.00022 -0.00007 0.00127 0.00124 -0.00005 -0.00008 0.00054 0.00048 0.00047 0.00019 0.00013 0.00012 -0.00028 -0.00005 -0.00009 -0.00041 -0.00017 -0.00022 0.00006 -0.00001 0.00023 0.00017 0.00002 -0.00004 -0.00003 -0.00027 0.00040 0.00016 0.00024 0.00000 -0.00018 -0.00032 -0.00007 -0.00021 -0.00017 -0.00031 -0.00011 0.00010 0.00000 0.00021 -0.00006 0.00015 -0.00006 0.00017 -0.00004 0.00019 3.23600 1.85238 1.85553 1.84842 3.48769 3.39113 1.86200 1.82421 1.85721 3.42655 1.86888 3.38873 1.85807 3.56786 3.30317 3.39700 1.84941 3.47482 1.82358 1.84500 1.85459 3.41218 1.82293 1.86699 3.42381 3.33861 1.85387 1.84105 3.23674 3.39776 1.82373 1.87449 3.45072 1.85226 1.84861 3.34900 1.86586 1.82383 3.31711 1.87429 1.82413 3.40364 3.42492 1.84896 1.85205 1.85582 1.86207 3.41568 1.85942 1.82407 1.81720 1.83511 1.82259 2.81011 1.82843 1.87393 1.72806 1.76545 1.89094 2.53525 2.03197 1.35451 1.79522 1.67207 1.79218 1.92268 1.72403 1.83601 1.97001 1.82445 1.77779 1.80724 1.86506 2.23271 1.71115 1.84743 1.87635 1.77760 2.06228 1.90503 1.61280 1.85225 2.04250 1.98449 2.21948 1.61395 2.17011 1.82661 1.76506 1.76477 1.62071 1.93497 2.14036 1.85690 2.03762 1.85275 1.85281 1.68158 1.74041 2.01178 2.05783 2.03455 1.75442 1.74562 1.83270 1.83044 1.72246 1.62235 1.81844 1.91828 1.83482 3.02175 3.02266 3.00788 3.16052 3.02570 3.15404 2.91106 3.19347 3.09301 3.06375 2.89552 3.04603 3.05846 3.06267 3.04492 3.15371 3.04022 3.06405 3.06360 3.19295 3.25003 3.18175 3.47015 2.93810 3.28193 3.21307 3.15960 3.21242 3.14260 3.06162 3.10319 2.99086 3.23362 3.14039 3.09416 3.04051 3.26119 3.11337 -2.77417 -0.88598 -0.88782 1.00037 -1.60763 2.42651 0.13688 0.29221 -1.95683 2.03672 1.86551 -2.42865 0.10688 -0.02229 1.96674 -1.78092 -1.15418 0.80423 2.60916 0.68020 -1.15689 3.13547 -1.09813 0.61001 1.22203 -3.01157 -1.30342 -1.83251 0.07949 2.33311 -2.03807 0.98248 2.89448 -2.74918 -0.89180 1.34982 -3.07599 -1.29394 0.56344 1.82492 -0.15279 -2.89937 1.40610 -0.90383 -2.88154 0.52338 -1.48973 -1.30528 2.96480 -1.13618 0.73882 2.96613 0.57011 2.44510 -1.61077 2.53035 0.38274 -1.62666 -1.89062 2.24496 0.23556 0.81138 2.63400 -1.86826 2.85123 -1.60933 0.17159 2.07898 -2.34997 -0.25705 1.59719 0.29814 -1.67223 2.56039 2.18456 0.21419 -1.83638 1.30167 -0.77401 -2.82033 -3.06400 1.14351 -0.90281 -0.18033 1.61047 1.95522 -2.53716 -2.12138 -0.33057 1.54222 -0.20738 -2.10281 2.43078 -0.22804 -1.97764 -1.19063 0.75581 0.51785 2.46429 2.69696 -1.63978 -0.57205 1.08055 -2.50149 -0.84889 1.22886 2.88146 -1.11325 -3.10992 0.72164 -1.27503 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000032 0.000009 0.001220 0.000280 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.640005e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 2 2 3 3 4 4 4 6 6 6 6 7 9 10 11 12 14 14 16 17 17 17 19 20 20 20 21 23 23 23 26 26 26 29 29 30 32 32 32 32 35 35 38 38 38 41 41 25 43 45 10 26 10 12 5 8 45 7 8 9 22 14 12 11 29 13 15 16 23 18 19 27 35 21 22 33 29 24 25 37 27 28 40 30 31 41 33 34 39 43 36 37 39 40 42 42 44 1.7125 0.9802 0.9819 0.9781 1.8457 1.7946 0.9853 0.9653 0.9828 1.8132 0.989 1.7933 0.9833 1.888 1.7479 1.7977 0.9787 1.8388 0.965 0.9763 0.9814 1.8057 0.9647 0.988 1.8119 1.7669 0.981 0.9743 1.7128 1.7981 0.9651 0.9919 1.8261 0.9802 0.9782 1.7721 0.9874 0.9651 1.7554 0.9918 0.9653 1.8012 1.8124 0.9784 0.9801 0.9821 0.9854 1.8077 0.984 0.9653 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 25 25 43 10 5 5 8 7 7 7 8 8 9 2 2 3 3 3 9 7 7 15 18 18 19 21 21 22 16 16 16 24 24 25 2 2 2 27 27 28 11 11 11 21 21 30 33 33 33 34 34 39 19 19 36 39 39 40 30 30 42 1 1 1 2 4 4 4 6 6 6 6 6 6 10 10 10 12 12 12 14 14 14 17 17 17 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 38 38 38 41 41 41 43 45 45 26 8 45 45 8 9 22 9 22 22 3 11 11 9 13 13 15 16 16 19 27 27 22 33 33 24 25 37 25 37 37 27 28 40 28 40 40 21 30 31 30 31 31 34 39 43 39 43 43 36 37 37 40 42 42 42 44 44 104.1088 105.1391 104.4262 161.0077 104.7605 107.3827 99.0112 101.1424 108.3388 145.2621 116.4172 77.5975 102.8714 95.8124 102.6865 110.1465 98.7736 105.1919 112.8838 104.5465 101.859 103.5538 106.8534 127.8751 98.0209 105.8484 107.5218 101.8608 118.1483 109.1464 92.4087 106.1254 117.0331 113.7103 127.1412 92.4761 124.3464 104.6617 101.1358 101.1296 92.8602 110.8657 122.6331 106.3776 116.759 106.1558 106.1588 96.346 99.7149 115.2812 117.8948 116.569 100.5269 100.0092 105.0072 104.8775 98.6798 92.9426 104.2008 109.9175 105.1273 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 10 6 4 6 10 14 17 20 6 1 17 29 20 23 32 26 38 1 1 10 6 4 6 10 14 17 20 6 1 17 29 20 23 32 26 38 1 3 7 8 9 11 16 19 21 22 25 27 30 33 37 39 40 42 43 45 3 7 8 9 11 16 19 21 22 25 27 30 33 37 39 40 42 43 12 14 6 12 29 23 35 29 20 23 26 41 32 35 38 38 41 32 4 12 14 6 12 29 23 35 29 20 23 26 41 32 35 38 38 41 32 1 1 23 17 4 4 4 3 1 2 1 1 4 2 3 1 2 5 2 1 1 23 17 4 4 4 3 1 2 1 1 4 2 3 1 2 5 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 173.1145 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 173.2027 172.3339 181.09 173.383 180.6925 166.7929 182.9654 177.216 175.5468 165.8906 174.5225 175.2468 175.4753 174.4713 180.6784 174.1883 175.5384 175.5476 182.9594 186.21 182.3073 198.8149 168.3335 188.0298 184.087 181.029 184.0283 180.0433 175.422 177.7987 171.3621 185.27 179.9368 177.2853 174.212 186.8534 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 25 25 43 43 43 43 43 45 45 45 25 25 25 45 45 45 26 26 10 10 10 5 5 5 45 45 45 7 7 8 8 22 22 8 8 9 9 22 22 7 7 8 8 9 9 2 2 11 11 2 2 2 3 3 3 7 7 7 15 15 15 18 18 18 19 19 19 18 18 27 27 22 22 22 33 33 33 21 21 21 22 22 22 16 16 24 24 25 25 2 2 27 27 28 28 11 11 21 21 31 31 33 33 34 34 43 43 39 39 40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 4 4 4 4 23 23 23 23 23 23 32 32 32 32 32 32 10 10 26 26 26 6 6 6 6 6 6 12 12 12 12 12 12 14 14 14 14 14 14 20 20 20 20 20 20 12 12 12 12 29 29 29 29 29 29 23 23 23 23 23 23 26 26 26 26 26 26 35 35 35 35 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 41 41 41 41 41 41 38 38 38 38 38 38 41 41 41 5 8 5 8 16 24 37 16 24 37 33 34 39 33 34 39 3 11 27 28 40 7 9 22 7 9 22 3 13 3 13 3 13 15 16 15 16 15 16 21 33 21 33 21 33 9 13 9 13 21 30 31 21 30 31 24 25 37 24 25 37 2 28 40 2 28 40 36 37 36 37 11 30 31 11 30 31 34 39 43 34 39 43 19 36 19 36 19 36 39 42 39 42 39 42 42 44 42 44 42 44 40 42 40 42 40 42 30 44 30 -158.9448 -50.7543 -50.8733 57.3172 -92.1278 139.0248 7.8313 16.721 -112.1264 116.6801 106.8802 -139.1661 6.1243 -1.2732 112.6805 -102.0291 -66.1559 46.0403 149.5228 39.0005 -66.281 179.6656 -62.9159 34.9628 70.0199 -172.5616 -74.6829 -105.0197 4.5258 133.68 -116.7745 56.2956 165.8411 -157.5567 -51.1249 77.3163 -176.2518 -74.1968 32.235 104.5977 -8.7294 -166.1062 80.5667 -51.7797 -165.1068 29.9904 -85.3553 -74.7845 169.8699 -65.081 42.3341 169.9424 32.6942 140.1093 -92.2824 144.9799 21.9508 -93.1891 -108.3065 128.6644 13.5244 46.5395 150.9625 -106.9814 163.3565 -92.2205 9.8356 119.0438 -134.7145 -14.7246 91.517 17.0516 -95.8394 146.6725 125.1554 12.2643 -105.2237 74.5964 -44.3448 -161.5877 -175.5309 65.5279 -51.715 -10.3356 92.2738 112.0126 -145.378 -121.5473 -18.9379 88.3646 -11.8665 -120.5048 139.2641 -13.0792 -113.3103 -68.2079 43.3232 29.6743 141.2054 154.534 -93.9349 -32.7701 61.9052 -143.3249 -48.6496 70.4116 165.0869 -63.7806 -178.1948 41.3494 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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(BJ) -0.0486385393 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 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2196,.0202,3.6617;-.2103,.543,-3.0647;-.2508,2.6153,-2.6403;.138,2.7227,2.9769;1.0754,2.9392,2.959;-.5212,2.1993,.3532;-1.3638,1.7061,.4723;-.1086,2.6541,2.0332;-.5879,2.6785,-.5062;.2969,1.2237,-3.5394;1.2048,1.0805,-3.209;-.5734,3.3633,-2.0859;-1.4984,3.4638,-2.33;-2.8421,.8428,.824;-3.0223,.3033,.0472;-2.5675,.1939,1.509;-3.0404,-1.9205,-1.0828;-3.209,-2.564,-1.778;-2.6165,-2.4331,-.3555;2.084,1.2309,.3337;2.3193,1.0268,-.5945;1.1486,1.5146,.3091;-1.9913,-.9908,2.6459;-2.6152,-1.1298,3.3655;-1.169,-.6148,3.0661;-.7535,-.6038,-1.6604;-1.6302,-1.038,-1.5285;-.7289,.1012,-1.0039;2.7066,.606,-2.281;2.8124,-.3777,-2.285;3.5514,.9624,-2.5732;1.8907,-.9964,1.7021;2.0252,-.1554,1.1817;2.7705,-1.2787,1.9727;-1.6796,-3.152,.93;-.796,-3.0414,.5426;-1.7465,-2.4364,1.5934;.8632,-2.4518,-.3947;1.2335,-1.976,.3796;.3074,-1.7855,-.8533;2.9003,-2.0724,-2.2146;2.2049,-2.2889,-1.556;.8718,-.3545,3.036;2.5388,-2.3726,-3.0545;.1853,.975,3.4442; 0.000000 6.760364 0.000000 6.831606 2.115713 0.000000 2.789112 6.432289 5.631725 0.000000 3.121967 6.609139 5.763401 0.962232 0.000000 4.030306 3.810775 3.034324 2.755505 3.144425 0.000000 3.939705 3.897952 3.428383 3.092295 3.695178 0.983557 0.000000 3.114030 5.518658 4.675799 0.977891 1.529879 1.788709 2.215965 0.000000 5.008941 3.354023 2.161538 3.558208 3.852555 0.986185 1.582761 2.584259 0.000000 7.301351 0.972581 1.744985 6.688423 6.766004 4.095511 4.368581 5.767489 3.478511 0.000000 7.021486 1.520550 2.190369 6.488516 6.443327 4.113371 4.532218 5.628637 3.615619 0.976626 0.000000 6.696262 3.007351 0.985361 5.152572 5.324492 2.703110 3.148914 4.205446 1.721850 2.729117 3.103927 0.000000 7.121132 3.275719 1.540387 5.602793 5.905468 3.123069 3.310718 4.650240 2.184567 3.115136 3.709449 0.961985 0.000000 4.254755 4.705195 4.675258 4.129221 4.929540 2.729146 1.747663 3.494967 3.197001 5.388698 5.718314 4.468516 4.315437 0.000000 4.863595 4.201066 4.499885 4.942156 5.676126 3.153374 2.213399 4.237920 3.445917 4.972720 5.392123 4.462152 4.238151 0.962820 0.000000 3.525880 5.157254 5.333554 3.983669 4.786447 3.089440 2.193222 3.517573 3.762056 5.895047 6.105372 5.190844 5.154919 0.982710 1.534853 0.000000 6.074862 4.243335 5.548000 6.938544 7.542749 5.037909 4.287325 6.263492 5.243862 5.201718 5.616729 5.916948 5.737872 3.363205 2.494480 3.378142 0.000000 6.929867 4.505662 6.026520 7.858833 8.430938 5.869795 5.167388 7.166975 5.997638 5.453451 5.900090 6.494125 6.290038 4.302488 3.404040 4.338418 0.962180 0.000000 5.495453 4.689019 6.025206 6.728712 7.312902 5.133375 4.403120 6.154275 5.501547 5.656616 5.923689 6.384906 6.318408 3.489124 2.795512 3.221817 0.985641 1.546482 0.000000 4.002137 4.157651 4.026483 3.605385 3.290556 2.779403 3.483106 3.117849 3.152725 4.265493 3.653287 4.178905 4.991491 4.965605 5.197741 4.908416 6.180337 6.846572 5.999539 0.000000 4.851513 3.568595 3.648855 4.515431 4.222794 3.215784 3.894185 3.930311 3.344785 3.577869 2.842675 4.006388 4.850372 5.355960 5.428450 5.385082 6.136059 6.697491 6.032460 0.979079 0.000000 3.786267 3.764781 3.445176 3.098056 3.009453 1.805282 2.524969 2.418944 2.243837 3.952369 3.545284 3.481279 4.215628 4.079494 4.351139 4.122281 5.593290 6.322932 5.495667 0.977737 1.557244 0.000000 2.634735 6.175377 6.631501 4.293481 4.994769 4.194543 3.520123 4.147916 5.036751 6.956812 6.984597 6.584713 6.696715 2.721269 3.080747 1.740130 3.983484 4.850596 3.388136 5.185512 5.757762 4.647170 0.000000 3.073491 7.066073 7.462262 4.751130 5.508422 4.953930 4.240102 4.730315 5.796796 7.854719 7.918437 7.353529 7.401809 3.225141 3.637372 2.280539 4.538001 5.372603 3.942653 6.070161 6.684460 5.522717 0.962546 0.000000 1.638905 6.312466 6.621204 3.585459 4.204750 3.962198 3.486042 3.588496 4.893384 7.011573 6.920008 6.536356 6.772180 3.154556 3.659502 2.243773 4.735075 5.605941 4.136342 4.631909 5.316343 4.184109 0.997070 1.564104 0.000000 5.446130 1.892727 3.402283 5.776264 6.102192 3.459123 3.202549 4.967083 3.483300 2.823793 3.011636 3.993929 4.189127 3.553491 2.980965 3.737890 2.701299 3.144126 2.918880 3.923461 3.638276 3.461871 4.497275 5.385333 4.744752 0.000000 5.610673 2.622118 4.060172 6.129335 6.578499 3.905171 3.406471 5.350907 3.993001 3.587822 3.917785 4.560554 4.574445 3.246619 2.493953 3.409187 1.722210 2.209848 2.072482 4.733999 4.553512 4.196959 4.190242 4.992990 4.637114 0.987184 0.000000 4.761741 2.170490 3.037603 4.844742 5.197625 2.507365 2.271130 4.015736 2.628768 2.956504 3.092024 3.440390 3.695650 2.890850 2.530869 3.115081 3.071818 3.721942 3.225844 3.313293 3.211883 2.692041 4.013354 4.915807 4.155949 0.963591 1.544395 0.000000 6.468659 3.021007 3.593460 6.222845 5.963421 4.460518 5.035776 5.543646 4.277748 2.787790 1.828122 4.289452 5.084498 6.362823 6.191326 6.507672 6.391119 6.730213 6.424883 2.759487 1.780819 3.156211 6.992390 7.950931 6.715826 3.717663 4.698598 3.699814 0.000000 6.499493 3.254542 4.297374 6.667250 6.443466 4.971251 5.420796 6.030759 4.905746 3.235032 2.358951 5.049566 5.774274 6.567243 6.320300 6.607851 6.170897 6.425996 6.117211 3.158415 2.252436 3.616387 6.911141 7.870961 6.673965 3.627199 4.554639 3.796206 0.989347 0.000000 7.131813 3.816801 4.146544 6.749379 6.375270 5.165276 5.829903 6.121797 4.934748 3.404941 2.434157 4.797511 5.640703 7.241063 7.107390 7.395683 7.347389 7.666209 7.381815 3.267372 2.331863 3.792946 7.859722 8.813226 7.521455 4.671039 5.651753 4.639596 0.962370 1.557283 0.000000 2.768770 5.432003 6.040468 4.304523 4.211100 4.224863 4.405417 4.175289 4.952273 5.911205 5.376182 6.279178 6.902033 5.153018 5.344720 4.618411 5.738100 6.369893 5.158803 2.621209 3.090560 2.965842 3.995065 4.805031 3.371651 4.295611 4.778688 3.923014 4.370155 4.138722 4.987300 0.000000 3.072725 4.849430 5.240676 3.881764 3.692924 3.565851 3.931122 3.629269 4.208110 5.213180 4.634516 5.459965 6.151983 4.981497 5.193749 4.617578 5.822690 6.477468 5.394119 1.626143 2.153818 2.078142 4.355903 5.220370 3.737014 3.999921 4.635325 3.525343 3.610243 3.561814 4.204505 0.998105 0.000000 3.323684 6.130169 6.750638 4.893805 4.651480 5.055125 5.315276 4.874367 5.751755 6.539371 5.904861 7.014397 7.695989 6.109138 6.306100 5.556747 6.596562 7.174534 5.981075 3.074980 3.479848 3.633211 4.817713 5.564908 4.141960 5.106175 5.628750 4.796910 4.652916 4.352145 5.128098 0.962746 1.562965 0.000000 4.596923 5.636487 6.931848 6.481219 6.986409 5.505532 4.889802 6.115210 6.103255 6.559660 6.585255 7.264221 7.377644 4.161882 3.810703 3.509787 2.723978 3.165151 1.745625 5.807757 5.981495 5.491959 2.777032 3.300938 3.355744 3.749830 3.242862 3.902217 6.608487 6.181508 7.520968 4.241486 4.771662 4.939656 0.000000 4.486995 5.118969 6.513559 6.326399 6.716296 5.251289 4.781821 5.927291 5.819008 6.004020 5.921821 6.926686 7.145850 4.399204 4.048346 3.813037 2.989322 3.381695 2.119203 5.156571 5.248669 4.959137 3.171297 3.864253 3.520723 3.285859 2.999905 3.503170 5.791742 5.301965 6.681230 3.569991 4.086126 4.227542 0.971154 0.000000 3.765392 5.738932 6.758813 5.664146 6.222991 4.952714 4.308561 5.365591 5.649208 6.627062 6.643976 6.967832 7.089975 3.542007 3.394809 2.756767 3.017080 3.677180 2.134319 5.450576 5.771664 5.063773 1.804798 2.366892 2.412608 3.864172 3.422847 3.771114 6.640606 6.329599 7.548589 3.913450 4.427031 4.678433 0.978070 1.540676 0.000000 4.793693 4.153270 5.653210 6.218489 6.352600 4.910018 4.795725 5.736646 5.332737 4.870155 4.529221 6.224066 6.657075 5.105787 4.783610 4.732165 3.999206 4.302148 3.479967 3.947540 3.776361 4.038452 4.419004 5.290222 4.413833 2.762320 3.082434 3.069784 4.038062 3.416734 4.860961 2.751515 3.018064 3.258662 2.951483 1.994786 3.280802 0.000000 3.972960 4.504781 5.692350 5.479382 5.553115 4.529045 4.506852 5.096350 5.076045 5.145250 4.713950 6.152355 6.663079 4.975270 4.839129 4.520054 4.517477 4.973561 3.946091 3.318056 3.338386 3.492313 4.062643 4.944059 3.852500 3.161067 3.566728 3.174869 3.989424 3.485336 4.767212 1.772156 2.141164 2.320909 3.189358 2.297888 3.250468 0.981409 0.000000 4.863443 3.252746 4.782486 5.918059 6.119352 4.245074 4.091605 5.311751 4.566147 4.033677 3.816916 5.367075 5.744311 4.431807 4.032491 4.214663 3.358359 3.718335 3.035853 3.696462 3.467561 3.598553 4.261379 5.173942 4.348804 1.781375 2.183841 2.157847 3.676109 3.210384 4.586166 3.108000 3.122356 3.782842 2.999294 2.177903 3.260162 0.981355 1.553678 0.000000 6.789419 4.151929 5.664379 7.587858 7.430541 6.045457 6.299128 7.031142 6.136574 4.404159 3.715433 6.452127 7.071895 7.120906 6.770316 6.992727 6.049452 6.144561 5.832813 4.251136 3.545072 4.722748 6.980089 7.902366 6.824240 3.976700 4.697493 4.400179 2.686178 1.698431 3.124489 4.185440 3.996923 4.263869 5.659530 4.712117 6.018877 2.757857 3.085114 2.942577 0.000000 6.041339 4.016034 5.590806 7.066535 6.999599 5.587509 5.727939 6.532047 5.794563 4.462295 3.883997 6.320352 6.885276 6.398776 6.050885 6.191447 5.279423 5.425365 4.970683 3.996836 3.454225 4.365905 6.078521 6.985574 5.962377 3.406205 4.034036 3.824192 3.026147 2.133797 3.663162 3.519202 3.475488 3.713824 4.691989 3.738416 5.055131 1.781915 2.188239 2.085099 0.981970 0.000000 0.978437 6.260568 6.503852 3.164058 3.300881 3.957235 3.976961 3.319419 4.886365 6.786487 6.416374 6.491867 6.999389 4.485478 4.952747 3.802768 5.892536 6.686463 5.290662 3.359315 4.145305 3.317487 2.958756 3.587358 2.057551 4.975859 5.249931 4.369301 5.706030 5.663789 6.354316 1.797038 2.192806 2.364229 4.332517 4.027099 3.642926 4.020990 3.133043 4.182398 5.885115 5.158029 0.000000 7.497394 4.007232 5.729950 8.252499 8.155904 6.471290 6.656113 7.626289 6.464033 4.265456 3.705039 6.597285 7.133538 7.371278 6.906993 7.313427 5.934556 5.890908 5.819379 4.967067 4.201865 5.325103 7.411111 8.326131 7.368813 3.988882 4.635769 4.582819 3.081927 2.155592 3.518396 4.993907 4.808797 5.150041 5.854819 4.950482 6.322267 3.144536 3.695184 3.188897 0.962375 1.537484 6.629094 0.000000 0.979900 6.535251 6.316814 1.809680 2.210323 3.398898 3.430218 2.212843 4.370938 6.988927 6.731710 6.071388 6.509294 4.006033 4.720171 3.454440 6.267651 7.163630 5.822705 3.653157 4.568126 3.323813 3.039662 3.504230 2.122450 5.425026 5.663621 4.624457 6.266651 6.446301 6.894943 3.135271 3.127667 3.731981 5.179937 5.051137 4.335392 5.190408 4.381638 5.109213 6.977147 6.303523 1.551024 7.679748 0.000000 H30O15 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 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.0053,.8802,-1.9132;-2.593,-.1843,1.7237;-2.4921,1.9096,2.0098;2.0942,3.328,-.9348;1.5784,3.6474,-1.6818;.2563,2.1498,.7465;.8485,1.5974,1.3047;1.4216,3.0187,-.2959;-.5091,2.4111,1.3109;-3.3457,.4283,1.6602;-3.5003,.4751,.697;-1.9583,2.7183,2.1884;-1.7156,2.6477,3.1166;2.009,.6623,2.2175;1.5096,-.0564,2.6189;2.5441,.223,1.52;.8561,-2.463,2.6811;.4348,-3.2624,3.0116;1.3339,-2.7428,1.8656;-.9376,1.5268,-1.6848;-1.8207,1.1488,-1.4951;-.5272,1.6815,-.8109;3.3863,-.5954,.236;4.3332,-.6434,.4023;3.2809,-.037,-.5833;-.9651,-1.0421,1.2807;-.353,-1.5388,1.8749;-.5128,-.2096,1.1049;-3.398,.4087,-1.127;-3.3208,-.5301,-1.4295;-4.1205,.7902,-1.6356;.6307,-.3409,-2.6454;.0044,.3709,-2.3336;.4581,-.4455,-3.5868;2.0585,-3.0335,.3044;1.2687,-2.9064,-.2462;2.5613,-2.2004,.206;-.4455,-2.3459,-1.0985;-.035,-1.6662,-1.6753;-.6483,-1.873,-.2629;-3.0745,-2.1416,-1.9061;-2.1333,-2.287,-1.6668;2.1943,.4563,-2.2594;-3.5692,-2.6653,-1.2679;2.707,1.7499,-1.5744; 0.2908333 0.2436056 0.2226930 -19.12738 -19.12658 -19.12595 -19.12513 -19.12447 -19.12411 -19.12297 -19.12222 -19.12106 -19.11692 -19.11550 -19.11483 -19.11364 -19.11360 -19.11294 -1.03144 -1.02589 -1.02459 -1.02093 -1.01933 -1.01451 -1.01289 -1.01193 -1.01116 -1.00357 -1.00108 -0.99694 -0.99298 -0.99137 -0.98863 -0.54118 -0.53966 -0.53916 -0.53745 -0.53583 -0.53280 -0.53187 -0.53153 -0.52969 -0.52923 -0.52811 -0.52618 -0.52298 -0.52137 -0.51888 -0.44016 -0.43911 -0.42907 -0.42805 -0.42112 -0.41502 -0.40435 -0.40309 -0.39994 -0.39793 -0.39208 -0.38614 -0.38088 -0.37609 -0.36757 -0.32890 -0.32862 -0.32788 -0.32647 -0.32526 -0.32394 -0.32254 -0.32132 -0.31985 -0.31921 -0.31819 -0.31697 -0.31639 -0.31477 -0.31443 -0.00398 0.02763 0.03281 0.03453 0.05930 0.05983 0.06825 0.07479 0.08096 0.08688 0.09926 0.10672 0.10865 0.11211 0.11706 0.11790 0.12213 0.13348 0.13588 0.14575 0.14748 0.15208 0.15392 0.15575 0.15841 0.16277 0.16536 0.17264 0.17534 0.17869 0.18255 0.18464 0.18973 0.19252 0.19701 0.20075 0.20930 0.21487 0.21658 0.21933 0.22663 0.22856 0.23151 0.23593 0.23953 0.24137 0.24742 0.25077 0.25488 0.26009 0.26284 0.26440 0.27116 0.27155 0.27677 0.27825 0.28289 0.28727 0.29059 0.29286 0.29619 0.29820 0.30040 0.30560 0.30828 0.31175 0.31558 0.31879 0.32362 0.32542 0.33761 0.34662 0.35854 0.37535 0.38148 0.38785 0.40383 0.42094 0.42628 0.43810 0.45529 0.45766 0.47293 0.47710 0.48798 0.49084 0.49899 0.50492 0.51177 0.51965 0.52622 0.53069 0.54448 0.55092 0.55467 0.56092 0.56330 0.57802 0.58116 0.58636 0.58877 0.59328 0.60028 0.60767 0.61506 0.63046 0.63270 0.63739 0.65107 0.66176 0.66661 0.67382 0.68132 0.68682 0.69237 0.70171 0.70737 0.72527 0.73131 0.75270 0.93606 0.95078 0.95579 0.95856 0.96479 0.97027 0.98703 0.99068 0.99499 0.99709 1.00803 1.01060 1.01536 1.01880 1.03575 1.03811 1.04638 1.04945 1.05933 1.06343 1.06927 1.08015 1.08453 1.08566 1.09013 1.09562 1.10143 1.10286 1.11022 1.11121 1.11425 1.12210 1.12673 1.13410 1.13878 1.14200 1.14856 1.15458 1.16351 1.17157 1.17583 1.18348 1.20218 1.20535 1.22701 1.24187 1.25127 1.25801 1.26726 1.27433 1.28072 1.28917 1.29738 1.30248 1.30812 1.31159 1.31646 1.33078 1.34237 1.34553 1.35245 1.36003 1.36367 1.37069 1.37683 1.38352 1.38921 1.39290 1.40128 1.41152 1.41886 1.43084 1.43846 1.45096 1.45547 1.46884 1.47235 1.47934 1.48550 1.48989 1.50245 1.51153 1.51249 1.52856 1.54004 1.55452 1.55832 1.56909 1.57171 1.58328 1.59728 1.60816 1.61788 1.62528 1.63549 1.63984 1.64628 1.65050 1.66080 1.67546 1.68139 1.68254 1.69180 1.70471 1.71506 1.72142 1.74094 1.74325 1.75991 1.76473 1.78778 1.79191 1.80253 1.80336 1.81193 1.83196 1.84742 1.85262 1.86089 1.90030 2.02180 2.03092 2.03750 2.04033 2.04265 2.04878 2.06177 2.09435 2.16788 2.24710 2.25391 2.26968 2.28652 2.30150 2.31650 2.32047 2.33214 2.34476 2.35907 2.36223 2.37277 2.39357 2.41490 2.43087 2.44255 2.46616 2.48745 2.51147 2.51436 2.55062 2.61416 2.62496 2.62781 2.63121 2.63480 2.64669 2.65243 2.67921 2.70421 2.71442 2.72334 2.72745 2.73548 2.74771 2.74943 2.76303 2.77473 2.78196 2.78808 2.80023 2.80448 2.82299 2.82542 2.84700 2.86363 2.87068 2.87841 2.89217 2.91552 2.93743 3.06453 3.07394 3.08028 3.08379 3.08680 3.09622 3.09863 3.10108 3.10439 3.10542 3.11229 3.12049 3.12383 3.12843 3.13120 3.13340 3.13789 3.14281 3.14977 3.15512 3.15901 3.16043 3.16936 3.17528 3.17674 3.19045 3.19279 3.19980 3.21706 3.23139 3.29472 3.29908 3.30296 3.30971 3.32115 3.32468 3.33201 3.33466 3.34586 3.34756 3.35936 3.36673 3.37223 3.38303 3.39515 3.66718 3.69439 3.69948 3.70617 3.70961 3.71938 3.72586 3.73544 3.73931 3.75534 3.77307 3.78036 3.78996 3.79636 3.82860 3.91402 3.92137 3.92885 3.93103 3.93567 3.94001 3.94544 3.94879 3.95549 3.96258 3.96429 3.98133 3.99263 3.99859 4.01775 5.01033 5.01740 5.02070 5.02748 5.02982 5.03386 5.03660 5.04647 5.05562 5.06776 5.07026 5.11844 5.13405 5.16632 5.20724 5.38399 5.39534 5.40940 5.41871 5.43150 5.43787 5.44499 5.45264 5.46081 5.46297 5.47975 5.50046 5.52109 5.54772 5.57138 5.66184 5.67580 5.68489 5.68597 5.68815 5.69322 5.69809 5.70078 5.71158 5.72738 5.75850 5.76289 5.78162 5.78755 5.80181 49.88153 49.88909 49.89803 49.90673 49.91486 49.91576 49.92795 49.93753 49.94297 49.94822 49.95944 49.96582 49.97471 49.98783 49.99330 1-A. -4.0054 -3.2852 -0.2703 5.1874 -111.6893 -123.2180 -96.9754 1.2725 8.7854 -11.2676 -1.0617 -12.5905 13.6522 1.2725 8.7854 -11.2676 -22.0138 -37.1183 -10.8433 -55.8800 -42.8019 -29.4215 -17.7702 4.9614 22.6971 20.8739 -2751.9281 -2560.6435 -1622.6792 -75.8905 391.4252 142.5696 -227.1920 -95.7209 -7.7593 -1069.6471 -1021.9023 -611.8285 -60.8153 -25.3711 -68.0867 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3061,.0323,3.6383;0,.6605,-2.989;-.187,2.7425,-2.5854;.0378,2.6456,2.6899;.9218,3.0227,2.5993;-.7615,1.7744,.185;-1.6544,1.415,.4123;-.2331,2.4195,1.7726;-.8673,2.4299,-.5403;.5198,1.3432,-3.4587;1.4308,1.1743,-3.1434;-.6034,3.4275,-2.0123;-1.4262,3.6638,-2.4579;-3.095,.5473,.8884;-3.2313,-.1095,.1791;-2.7668,.0089,1.6404;-3.0715,-1.5793,-.9771;-3.7224,-2.067,-1.4958;-2.6646,-2.2241,-.3488;2.0562,1.2868,.2295;2.3529,1.0595,-.6775;1.0936,1.4241,.1679;-2.0187,-1.1003,2.8531;-2.5333,-1.333,3.6357;-1.1765,-.6965,3.1873;-.6423,-.4228,-1.6398;-1.545,-.7964,-1.56;-.6165,.3043,-.9859;2.9494,.5692,-2.3014;2.9813,-.4176,-2.3;3.8342,.8661,-2.5472;2.0427,-.9709,1.7037;2.1487,-.1386,1.1747;2.9344,-1.2516,1.9442;-1.6838,-3.0485,.8678;-.7876,-2.9046,.5025;-1.761,-2.4118,1.6089;.8104,-2.38,-.352;1.2575,-1.936,.4013;.3156,-1.6623,-.8113;2.9077,-2.1668,-2.1723;2.1698,-2.3321,-1.5427;.9615,-.359,3.0233;2.6136,-2.5456,-3.01;.2296,.9682,3.3511; 0.000000 6.664018 0.000000 6.806001 2.129066 0.000000 2.792984 6.016014 5.280919 0.000000 3.225079 6.136738 5.309310 0.965339 0.000000 4.012466 3.448914 2.990297 2.769947 3.197026 0.000000 4.020244 3.856832 3.591804 3.092829 3.742303 0.988977 0.000000 3.077311 5.081544 4.370196 0.982797 1.543114 1.793334 2.208981 0.000000 4.958348 3.143171 2.177810 3.361503 3.661880 0.983257 1.598995 2.398301 0.000000 7.220122 0.978142 1.794608 6.303455 6.299345 3.886356 4.440306 5.393709 3.409126 0.000000 6.968545 1.528078 2.321260 6.175200 6.054342 4.030470 4.713749 5.337342 3.692473 0.978670 0.000000 6.654546 2.995709 0.985331 4.809694 4.874147 2.754172 3.321570 3.934336 1.797672 2.774524 3.239498 0.000000 7.304175 3.366929 1.549343 5.447866 5.612395 3.316031 3.653313 4.568240 2.347773 3.189668 3.850979 0.965007 0.000000 4.403917 4.962514 5.034119 4.178889 5.018976 2.728731 1.747879 3.532343 3.247770 5.709404 6.093610 4.787194 4.867763 0.000000 4.949713 4.590372 5.004402 4.958086 5.737381 3.106352 2.205768 4.233763 3.543276 5.423513 5.867121 4.921180 4.944694 0.976287 0.000000 3.665360 5.432512 5.655587 3.990002 4.858936 3.042537 2.173309 3.499767 3.771625 6.211545 6.470259 5.450640 5.652611 0.981404 1.537980 0.000000 5.941972 4.301083 5.439248 6.400385 7.065156 4.234875 3.592294 5.622100 4.596007 5.253286 5.705002 5.677220 5.691253 2.828941 1.876817 3.076757 0.000000 6.855252 4.850352 6.067801 7.339512 8.015272 5.133100 4.476832 6.556422 5.411758 5.786099 6.306917 6.339091 6.248279 3.593400 2.622604 3.880491 0.964659 0.000000 5.460103 4.732001 5.983960 6.344334 7.005904 4.460334 3.852615 5.654659 4.992629 5.704114 6.010962 6.241414 6.375661 3.065333 2.251918 2.992223 0.987963 1.568203 0.000000 4.031873 3.870273 3.882620 3.460323 3.149028 2.859923 3.717283 2.984184 3.232036 3.995779 3.432284 4.084357 4.999911 5.245559 5.469026 5.185124 5.996998 6.900510 5.911535 0.000000 4.885743 3.322420 3.594992 4.383504 4.079228 3.309793 4.168049 3.813229 3.502396 3.342993 2.635207 4.016118 4.922787 5.691628 5.769278 5.717427 6.039709 6.881480 6.005454 0.981026 0.000000 3.821045 3.427183 3.310428 2.994509 2.914906 1.887994 2.758872 2.307850 2.314818 3.672614 3.337872 3.412758 4.273224 4.339665 4.588864 4.367444 5.261221 6.176616 5.263138 0.974253 1.560002 0.000000 2.702544 6.427012 6.906468 4.276400 5.070522 4.118681 3.523817 4.091988 5.030205 7.228637 7.282304 6.795267 7.159204 2.780859 3.098851 1.805713 4.001068 4.769743 3.454339 5.402408 6.020065 4.823836 0.000000 3.150631 7.367406 7.798488 4.830630 5.655509 4.970210 4.326047 4.779450 5.862908 8.173933 8.243646 7.634537 7.957715 3.376187 3.732613 2.415822 4.650561 5.318312 4.084978 6.287203 6.942857 5.725545 0.965080 0.000000 1.712500 6.432189 6.791882 3.590501 4.310609 3.910464 3.519617 3.549721 4.874906 7.155898 7.097668 6.661176 7.137394 3.242312 3.690048 2.327979 4.659689 5.503767 4.129403 4.809620 5.520651 4.332121 0.991941 1.564318 0.000000 5.381905 1.845670 3.334791 5.350199 5.682334 2.858670 2.934796 4.459968 3.065567 2.788791 3.018216 3.868442 4.240779 3.653599 3.179562 3.931943 2.770900 3.494459 3.000153 3.701236 3.477773 3.113333 4.747654 5.677622 4.864343 0.000000 5.579843 2.559652 3.926761 5.693327 6.162013 3.204311 2.965105 4.813428 3.450781 3.527906 3.904687 4.351071 4.551227 3.194121 2.517882 3.519067 1.811938 2.521885 2.181458 4.528822 4.406453 3.857283 4.448842 5.315952 4.762612 0.980175 0.000000 4.723130 2.125905 2.947504 4.406993 4.755025 1.885019 2.065394 3.497250 2.186269 2.912894 3.098934 3.287533 3.756160 3.116921 2.892389 3.407204 3.094406 3.940809 3.315605 3.096079 3.079432 2.347323 4.321717 5.264414 4.327939 0.978248 1.550196 0.000000 6.523386 3.029832 3.826373 6.140167 5.843604 4.626568 5.410540 5.490880 4.596820 2.800195 1.838823 4.569002 5.361583 6.834471 6.694386 6.966158 6.528531 7.218864 6.567492 2.778151 1.798075 3.205038 7.351062 8.302248 6.982208 3.784464 4.755423 3.809999 0.000000 6.528542 3.244180 4.483990 6.553365 6.330947 4.998834 5.674861 5.913387 5.100630 3.240600 2.376876 5.264748 6.009037 6.929496 6.696044 6.982092 6.303646 6.950288 6.240671 3.187355 2.282361 3.611920 7.212508 8.153570 6.890269 3.683212 4.601949 3.897644 0.987375 0.000000 7.169552 3.865027 4.437660 6.708673 6.294404 5.423116 6.259732 6.133291 5.345772 3.470384 2.495356 5.151640 5.958751 7.740739 7.635864 7.864166 7.492328 8.173842 7.524412 3.323905 2.393162 3.897954 8.202844 9.143823 7.773928 4.745945 5.716151 4.749938 0.965133 1.560995 0.000000 2.786579 5.371716 6.095655 4.251075 4.243559 4.207958 4.585734 4.084003 5.006878 5.858637 5.335803 6.336886 7.129656 5.419042 5.557187 4.908776 5.806236 6.683934 5.286011 2.696356 3.144620 2.999219 4.222937 4.980376 3.555324 4.323062 4.853187 3.991394 4.385695 4.149245 4.965246 0.000000 3.081151 4.753045 5.281485 3.808348 3.678159 3.620515 4.178282 3.546033 4.316721 5.129952 4.570024 5.517933 6.358687 5.296076 5.471422 4.939723 5.827184 6.731985 5.462361 1.712762 2.215335 2.137441 4.594428 5.422553 3.926692 3.973880 4.642608 3.536968 3.636634 3.583915 4.207464 0.991847 0.000000 3.380322 6.050080 6.798059 4.912756 4.769708 5.090360 5.524041 4.851813 5.846304 6.461734 5.833529 7.075610 7.909134 6.380052 6.514365 5.846862 6.686771 7.537371 6.128003 3.186676 3.542978 3.701788 5.038105 5.723995 4.330557 5.130817 5.705392 4.859552 4.619584 4.325610 5.046471 0.965293 1.564753 0.000000 4.596336 5.609582 6.906599 6.221499 6.829883 4.957581 4.486812 5.729062 5.715100 6.546851 6.604815 7.169409 7.495461 3.862866 3.392202 3.334283 2.736446 3.272009 1.766880 5.761040 5.963133 5.311159 2.801647 3.365330 3.342071 3.777217 3.314451 3.977024 6.678198 6.222484 7.578597 4.347649 4.821751 5.071019 0.000000 4.433363 5.051827 6.464185 6.022558 6.515540 4.689860 4.406651 5.501526 5.436045 5.953445 5.903549 6.815644 7.232948 4.169970 3.726797 3.701440 3.026868 3.647986 2.170462 5.072405 5.193209 4.731688 3.208862 3.915897 3.497934 3.281754 3.044987 3.541400 5.821876 5.314430 6.699257 3.632195 4.089517 4.320222 0.978443 0.000000 3.790094 5.803555 6.829090 5.475578 6.141068 4.533336 4.010980 5.069779 5.372129 6.706869 6.755209 6.967785 7.318736 3.324918 3.083346 2.621537 3.016280 3.688524 2.164330 5.491179 5.848246 4.993959 1.826114 2.422408 2.403208 3.970119 3.563424 3.926843 6.809150 6.461041 7.702218 4.068595 4.543264 4.848228 0.980059 1.553859 0.000000 4.690004 4.105529 5.676580 5.925167 6.157343 4.474247 4.589325 5.351525 5.097618 4.857762 4.561845 6.203432 6.779760 5.035914 4.666191 4.740648 4.012690 4.685405 3.478533 3.916068 3.783597 3.849966 4.462606 5.308359 4.394260 2.756750 3.084663 3.105390 4.131980 3.515404 4.949701 2.780299 3.024174 3.325238 2.855888 1.886552 3.233951 0.000000 3.906103 4.451626 5.735439 5.264688 5.434465 4.229699 4.439417 4.803448 4.945934 5.118203 4.719017 6.168877 6.836265 5.034706 4.851288 4.638248 4.557134 5.330602 4.003520 3.324722 3.367015 3.372210 4.176540 5.019485 3.901685 3.172540 3.605404 3.233389 4.054996 3.545933 4.815061 1.801206 2.150126 2.379326 3.179057 2.265117 3.285711 0.982051 0.000000 4.761301 3.199608 4.775196 5.558187 5.826586 3.736776 3.853246 4.861959 4.268321 4.010372 3.837864 5.309661 5.840571 4.404900 3.996555 4.278422 3.392192 4.115558 3.067717 3.579094 3.402471 3.330189 4.380927 5.291490 4.375840 1.772103 2.184498 2.183248 3.759929 3.297166 4.667666 3.128251 3.102532 3.823553 2.956091 2.118087 3.275836 0.985378 1.559586 0.000000 6.735496 4.137030 5.818041 7.418671 7.324169 5.878165 6.349941 6.816271 6.167954 4.435814 3.779870 6.606769 7.270488 7.264048 6.888314 7.174309 6.125748 6.665271 5.863329 4.291967 3.598770 4.654279 7.117695 8.002008 6.896980 3.990918 4.698857 4.464686 2.739395 1.755373 3.193392 4.147454 3.986469 4.217073 5.576859 4.621020 6.012806 2.785185 3.065872 2.970847 0.000000 5.992148 3.969258 5.691508 6.872954 6.883860 5.332952 5.699706 6.272382 5.736280 4.460994 3.924684 6.409624 7.051163 6.474485 6.089038 6.323183 5.325243 5.898364 4.980802 4.031067 3.504942 4.265355 6.195485 7.066316 6.020483 3.400374 4.019728 3.876019 3.098508 2.212904 3.742676 3.522456 3.492236 3.729650 4.601533 3.640982 5.038842 1.807719 2.183597 2.102786 0.983955 0.000000 0.980242 6.173474 6.511193 3.161063 3.408477 3.946693 4.099695 3.272830 4.880724 6.716264 6.371818 6.491816 7.206046 4.672731 5.072651 3.993517 5.810106 6.728911 5.291285 3.422314 4.200508 3.368991 3.075679 3.679318 2.170697 4.931636 5.242123 4.359312 5.758954 5.693889 6.386214 1.812431 2.208021 2.419448 4.344735 3.986689 3.691369 3.937007 3.074014 4.101157 5.835226 5.118694 0.000000 7.494654 4.136451 5.999039 8.128512 8.082904 6.345224 6.753829 7.458560 6.555302 4.439334 3.905723 6.857283 7.428434 7.573106 7.090006 7.556542 6.114539 6.532020 5.919878 5.049001 4.301772 5.307404 7.610769 8.492727 7.496110 4.121241 4.738819 4.759442 3.212019 2.273217 3.652948 5.002435 4.849891 5.130440 5.810192 4.902527 6.363126 3.216174 3.721217 3.300868 0.965263 1.547778 6.626570 0.000000 0.981908 6.351743 6.209938 1.813235 2.294681 3.414197 3.519357 2.193614 4.299131 6.826252 6.607916 5.958868 6.614526 4.158750 4.816795 3.581266 6.010025 6.951493 5.679435 3.630735 4.554846 3.329704 3.095358 3.606982 2.185200 5.254012 5.511929 4.468364 6.285459 6.436388 6.913276 3.124345 3.105572 3.771352 5.095237 4.914039 4.292088 5.026040 4.265264 4.924637 6.892619 6.213301 1.550678 7.648139 0.000000 H30O15 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 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.6499,.3094,-2.497;-2.4708,.381,1.7671;-2.438,2.488,1.4638;1.5728,2.8286,-1.9546;.9057,3.0191,-2.6259;.253,1.9036,.2982;1.0289,1.7445,.8905;1.059,2.5765,-1.1556;-.3755,2.4987,.7648;-3.2759,.9056,1.5847;-3.5382,.5942,.6947;-1.8723,3.2893,1.3699;-1.7771,3.6379,2.2647;2.4208,1.2165,1.8064;2.0712,.5365,2.4135;2.9161,.6955,1.1382;1.3503,-1.0353,3.143;1.4233,-1.4339,4.0184;1.7222,-1.6865,2.4998;-1.2926,.8899,-1.8842;-2.1352,.5286,-1.535;-.7953,1.2034,-1.1072;3.6303,-.422,-.0871;4.592,-.4797,-.1449;3.3153,-.1589,-.9902;-.8291,-.4319,1.5418;-.16,-.6163,2.234;-.4706,.333,1.0484;-3.6666,-.2124,-.9528;-3.4976,-1.1827,-.8834;-4.4403,-.1145,-1.5213;.2957,-1.18,-2.5648;-.3385,-.435,-2.4017;.0076,-1.6038,-3.3828;2.2475,-2.5702,1.0628;1.4025,-2.6349,.5738;2.7524,-1.866,.6049;-.3139,-2.5067,-.1987;-.0741,-2.0903,-1.0552;-.5151,-1.7519,.4019;-3.023,-2.8662,-.736;-2.0612,-2.8289,-.5316;1.8539,-.2547,-2.5923;-3.4319,-3.2559,.0467;2.2936,1.2125,-2.3504; 0.3025487 0.2370598 0.2255625 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= 522 522 522 522 522 MxSgAt= 45 MxSgA2= 45. 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= 510 RedAO= T EigKep= 1.27D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 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= 523 523 523 523 523 MxSgAt= 45 MxSgA2= 45. 1 -1.57583006e+00 -1.29250393e+00 -1.06339824e-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 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 0.000042376 -0.000230533 0.002521181 -0.002019376 -0.003004498 0.001882738 0.000870421 -0.001262925 -0.001619046 -0.001612749 -0.000533082 0.002782841 0.003264034 0.001382356 0.000692401 0.001716439 -0.000594749 0.000812187 -0.001173821 -0.000117324 0.000470230 -0.000735267 -0.000372043 -0.003880173 0.000010405 -0.000416512 0.000404722 -0.000430450 0.001934037 -0.002489524 0.003101239 -0.000548014 0.001071230 0.001624865 0.002123480 0.000761748 -0.003341309 0.001352877 -0.000916074 -0.000335402 0.002541301 -0.000372212 -0.001124893 -0.002421204 -0.003333891 0.000592847 -0.001934383 0.001793288 -0.001315588 0.002787097 0.000502979 -0.001347561 -0.001883032 -0.002486281 0.000289075 -0.001069147 0.001522159 0.001282482 0.001547459 0.001080510 0.000583823 -0.000331109 -0.002461598 -0.003113497 0.001722802 0.000270269 -0.000126844 -0.000795354 -0.001777672 -0.001938712 -0.000728242 0.001985430 -0.000479175 -0.000170306 0.000470443 0.000984580 -0.000456213 -0.002707582 -0.000843377 -0.000147753 0.000176219 0.000488771 0.004039888 0.002849897 -0.001864904 0.001251849 0.000438233 0.000364598 -0.000622772 -0.000198326 0.002538790 0.001377984 -0.000976676 -0.001599551 -0.000927057 0.000922195 0.000364044 -0.000076586 0.000182476 0.002286625 -0.001186433 0.000999484 -0.001591068 -0.002118570 -0.000221792 0.004160010 0.000155145 -0.001639896 -0.000620923 0.002378402 0.002243971 -0.000606488 -0.002923737 -0.000022591 0.000840493 0.000456001 0.001474398 -0.001231468 0.000989333 -0.000882338 0.002654298 0.000150035 0.000196181 -0.002294350 -0.000694889 0.002457023 0.002103888 -0.001209428 -0.001859084 -0.000466618 -0.001562551 -0.003108367 0.000049286 0.002148400 -0.000011311 0.004160010 0.001655340 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1147.22795086592 -1147.22795274164 -0.000001875727 -1147.22795271195 0.000000029689 -1147.22795278115 -0.000000069196 -1147.22795278155 -0.000000000402 -1147.22795278169 -0.000000000135 -1147.22795278 6 1.143311876395e+03 -5.623377167651e+03 1.876746098609e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 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) PT52424.900S Thu Jul 18 22:30:21 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.789335 0.340123 0.433512 -0.683938 0.296602 -0.887715 0.404034 0.386541 0.470956 -0.716500 0.364510 -0.759049 0.314746 -0.724243 0.327207 0.417224 -0.781894 0.333955 0.417312 -0.822110 0.426895 0.401306 -0.805304 0.335130 0.452733 -0.775729 0.479362 0.345404 -0.772700 0.445098 0.338485 -0.801507 0.458063 0.333018 -0.758133 0.367459 0.397422 -0.817396 0.430536 0.386203 -0.739343 0.422136 0.387454 0.312695 0.408773 -0.00000 -19.12932 -19.12847 -19.12819 -19.12662 -19.12565 -19.12279 -19.12269 -19.12255 -19.12199 -19.11696 -19.11683 -19.11484 -19.11438 -19.11340 -19.11262 -1.03041 -1.02403 -1.02148 -1.02007 -1.01788 -1.01308 -1.01226 -1.00884 -1.00799 -1.00295 -0.99932 -0.99585 -0.99349 -0.99148 -0.98880 -0.54527 -0.54451 -0.54042 -0.53904 -0.53524 -0.53386 -0.53234 -0.53070 -0.52878 -0.52815 -0.52435 -0.52291 -0.52081 -0.51990 -0.51754 -0.44171 -0.43784 -0.42747 -0.42643 -0.41933 -0.41317 -0.40305 -0.40118 -0.39892 -0.39388 -0.39060 -0.38606 -0.37977 -0.37582 -0.36479 -0.33037 -0.32921 -0.32834 -0.32727 -0.32681 -0.32578 -0.32248 -0.32109 -0.32011 -0.31872 -0.31864 -0.31655 -0.31577 -0.31534 -0.31412 -0.00189 0.02732 0.03453 0.03489 0.05811 0.05951 0.06568 0.07815 0.08266 0.09030 0.09934 0.10731 0.10957 0.11207 0.11651 0.11770 0.12146 0.13404 0.13654 0.13983 0.14805 0.15127 0.15395 0.15492 0.16318 0.16531 0.17172 0.17440 0.17866 0.18014 0.18559 0.18681 0.19249 0.19496 0.19933 0.20208 0.20939 0.21383 0.21469 0.22325 0.22566 0.22932 0.23232 0.23552 0.24270 0.24610 0.24891 0.25349 0.25546 0.25813 0.26161 0.26486 0.26928 0.27253 0.27366 0.27587 0.27943 0.28257 0.28404 0.28843 0.28954 0.29091 0.29548 0.29911 0.30147 0.30472 0.30935 0.31760 0.32192 0.32667 0.32856 0.34460 0.35165 0.36523 0.38685 0.39234 0.40228 0.40923 0.42265 0.43563 0.44564 0.46192 0.46509 0.47033 0.48113 0.48794 0.49478 0.50256 0.51546 0.52046 0.53182 0.53847 0.55079 0.55233 0.55460 0.56272 0.56636 0.57372 0.57962 0.58235 0.58717 0.59224 0.59914 0.61043 0.62339 0.62408 0.63320 0.64373 0.65089 0.65353 0.65985 0.67338 0.67921 0.68677 0.69586 0.70195 0.71158 0.72015 0.73192 0.74006 0.93507 0.95070 0.95298 0.96460 0.97525 0.97655 0.98538 0.99355 0.99730 1.00103 1.01096 1.01192 1.02139 1.02225 1.03353 1.03982 1.04481 1.04807 1.05204 1.05431 1.06960 1.07301 1.07441 1.07827 1.08679 1.09050 1.09659 1.09981 1.10618 1.10640 1.11195 1.11403 1.11928 1.12861 1.13510 1.13792 1.14598 1.14830 1.15296 1.16027 1.16886 1.18027 1.18710 1.20013 1.21952 1.24936 1.25184 1.26091 1.26266 1.27701 1.28680 1.29419 1.29945 1.30307 1.31083 1.31686 1.32264 1.32773 1.33599 1.34528 1.35195 1.35835 1.36973 1.37739 1.37845 1.38294 1.38941 1.39737 1.41004 1.41743 1.42178 1.43158 1.43544 1.44662 1.45109 1.45992 1.46950 1.47726 1.48228 1.49545 1.49820 1.51053 1.52227 1.53795 1.54232 1.55459 1.56066 1.57349 1.58558 1.58787 1.60353 1.60736 1.61765 1.62724 1.63022 1.63482 1.64499 1.66170 1.66373 1.66878 1.67167 1.68301 1.69757 1.71473 1.71866 1.73645 1.74572 1.75414 1.75661 1.76539 1.77607 1.79292 1.79332 1.80359 1.81572 1.83484 1.83711 1.84717 1.86785 1.88869 2.02609 2.03417 2.03724 2.04045 2.05035 2.06329 2.06569 2.16087 2.19117 2.23765 2.24840 2.27480 2.28377 2.29187 2.30611 2.32584 2.33329 2.34217 2.34999 2.36740 2.36948 2.39319 2.40401 2.42968 2.44740 2.45786 2.47684 2.49789 2.51587 2.52929 2.55828 2.58117 2.58403 2.59060 2.60035 2.61176 2.62614 2.67388 2.69311 2.70440 2.71157 2.71795 2.72517 2.73631 2.74525 2.75134 2.76036 2.77246 2.78507 2.79574 2.80438 2.82498 2.83636 2.84720 2.85269 2.87215 2.88332 2.91263 2.92382 2.93032 3.06708 3.07664 3.08190 3.08511 3.08775 3.09342 3.09528 3.09616 3.09774 3.10819 3.11136 3.11407 3.11700 3.12638 3.12919 3.13466 3.14049 3.14231 3.14805 3.15206 3.15598 3.15893 3.16435 3.16841 3.17312 3.18419 3.18679 3.19773 3.21541 3.23764 3.29596 3.29973 3.30542 3.30781 3.31496 3.32315 3.32503 3.33199 3.34409 3.34932 3.35686 3.36508 3.37718 3.38224 3.39393 3.67947 3.69439 3.70194 3.70457 3.71802 3.72024 3.72544 3.73238 3.73948 3.74592 3.75647 3.76397 3.77837 3.81427 3.84732 3.90777 3.91516 3.92178 3.92757 3.93057 3.93546 3.94035 3.94304 3.95057 3.95707 3.96195 3.98008 3.98206 4.00064 4.02784 5.00674 5.01241 5.01707 5.02361 5.02929 5.03409 5.03775 5.04442 5.04783 5.05892 5.06544 5.10161 5.17010 5.19497 5.22961 5.36624 5.38845 5.39555 5.40758 5.41534 5.43516 5.44957 5.45235 5.46202 5.46411 5.48738 5.49018 5.51941 5.55194 5.56808 5.65602 5.66235 5.66752 5.67446 5.67967 5.68130 5.69338 5.70596 5.71580 5.73155 5.74900 5.76650 5.77753 5.78446 5.85994 49.87838 49.88715 49.90027 49.90400 49.91580 49.91779 49.92857 49.93181 49.93619 49.94095 49.95478 49.95825 49.96733 49.97621 49.99196 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.776252 0.350739 0.417377 -0.701793 0.303448 -0.903499 0.449166 0.396013 0.454169 -0.747835 0.382957 -0.748996 0.318757 -0.751120 0.374775 0.389073 -0.784169 0.369906 0.395983 -0.811844 0.440463 0.387341 -0.789767 0.340145 0.429085 -0.784135 0.433166 0.385176 -0.771718 0.428841 0.346188 -0.768458 0.424184 0.337373 -0.782750 0.393161 0.404873 -0.815601 0.423866 0.393541 -0.737098 0.407969 0.378694 0.317632 0.400976 -0.00000 -1.38760209e+00 -1.14164790e+00 5.39218810e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.5269 -2.9018 1.3706 4.7684 -104.5422 -122.5663 -88.6182 1.9067 13.1645 0.9991 0.7000 -17.3241 16.6241 1.9067 13.1645 0.9991 -12.4541 7.9133 43.3116 -44.9135 -56.2187 -24.9190 -23.6836 -24.9449 26.0631 11.0399 -2599.5835 -2415.9903 -1462.3161 53.7846 276.6620 71.7559 51.1111 184.2161 -16.9441 -1046.1435 -992.6200 -524.5154 -54.3824 -98.4912 -97.3565 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.2279528 6.208E-9 1.707E-5 16.8834233,-12.4726656,-4.4107578,4.0902718,3.2827086,0.5252869 C01 [X(H30O15)] 0.62167 -0.904931 -1.5212438 -0.000006480 0.000006105 -0.000023876 0.000030581 -0.000012102 0.000025209 -0.000001726 -0.000024324 0.000009251 0.000001099 0.000006855 -0.000033540 -0.000020926 -0.000002824 -0.000000935 -0.000030844 0.000029103 -0.000018798 0.000021973 -0.000003359 -0.000012129 0.000007926 0.000007930 0.000035048 0.000003573 -0.000019854 0.000005698 0.000014659 0.000025242 0.000000406 -0.000013649 -0.000013170 -0.000015983 -0.000008224 0.000002804 -0.000034488 0.000018818 -0.000004808 0.000004643 -0.000018321 0.000033410 0.000027931 0.000015764 -0.000023124 -0.000014848 -0.000004474 0.000007494 -0.000022422 0.000002590 -0.000066189 -0.000024584 0.000003338 0.000021888 0.000004518 -0.000003405 0.000019385 -0.000004558 -0.000014977 0.000005238 -0.000019664 0.000000078 0.000009898 0.000028857 0.000019963 -0.000009485 0.000004201 -0.000006208 -0.000005652 0.000007412 0.000002958 0.000006997 -0.000008616 -0.000000194 0.000002122 0.000000289 -0.000027660 0.000019665 -0.000011466 0.000018321 0.000001930 0.000019109 -0.000005606 -0.000008325 -0.000026612 0.000016229 -0.000024421 0.000008054 0.000002090 0.000019083 0.000005055 -0.000004472 -0.000005849 0.000012456 0.000016225 0.000008836 0.000009864 -0.000006146 -0.000018960 0.000021184 -0.000009761 0.000006956 -0.000005889 0.000001410 0.000020842 -0.000020488 -0.000018958 -0.000008549 0.000019990 0.000004171 0.000002667 0.000000560 0.000035464 0.000032548 -0.000015020 -0.000024587 -0.000012700 0.000001494 0.000014678 -0.000023177 0.000019158 -0.000005480 -0.000021606 -0.000002746 0.000004334 0.000003287 -0.000003033 -0.000026394 0.000021545 0.000018036 0.000011076 -0.000001361 0.000021701 -0.000008830 -0.000011988 0.000009568 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3061,.0323,3.6383;0,.6605,-2.989;-.187,2.7425,-2.5853;.0378,2.6456,2.6899;.9218,3.0227,2.5993;-.7615,1.7744,.185;-1.6544,1.415,.4123;-.2331,2.4195,1.7726;-.8673,2.4299,-.5403;.5198,1.3432,-3.4587;1.4308,1.1743,-3.1434;-.6034,3.4275,-2.0123;-1.4262,3.6638,-2.4579;-3.095,.5473,.8884;-3.2313,-.1095,.1791;-2.7668,.0089,1.6404;-3.0715,-1.5793,-.9771;-3.7224,-2.067,-1.4958;-2.6646,-2.2241,-.3488;2.0562,1.2868,.2295;2.353,1.0595,-.6775;1.0936,1.4241,.1679;-2.0187,-1.1003,2.8531;-2.5333,-1.333,3.6357;-1.1765,-.6965,3.1873;-.6423,-.4228,-1.6398;-1.545,-.7964,-1.56;-.6165,.3043,-.9859;2.9494,.5692,-2.3014;2.9813,-.4176,-2.3;3.8342,.8661,-2.5472;2.0427,-.9709,1.7037;2.1487,-.1386,1.1747;2.9344,-1.2516,1.9442;-1.6838,-3.0485,.8678;-.7876,-2.9046,.5025;-1.761,-2.4118,1.6089;.8104,-2.38,-.352;1.2575,-1.936,.4013;.3156,-1.6623,-.8113;2.9077,-2.1668,-2.1723;2.1698,-2.3321,-1.5427;.9615,-.359,3.0233;2.6136,-2.5456,-3.01;.2296,.9682,3.3511; Gaussian 16 GINC-HORCAJUELO LAMSABHI Optimization 15-agua/ CONF349 water EM64L-G16RevC.01 129 C1[X(H30O15)] 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 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3061,.0323,3.6383;0,.6605,-2.989;-.187,2.7425,-2.5854;.0378,2.6456,2.6899;.9218,3.0227,2.5993;-.7615,1.7744,.185;-1.6544,1.415,.4123;-.2331,2.4195,1.7726;-.8673,2.4299,-.5403;.5198,1.3432,-3.4587;1.4308,1.1743,-3.1434;-.6034,3.4275,-2.0123;-1.4262,3.6638,-2.4579;-3.095,.5473,.8884;-3.2313,-.1095,.1791;-2.7668,.0089,1.6404;-3.0715,-1.5793,-.9771;-3.7224,-2.067,-1.4958;-2.6646,-2.2241,-.3488;2.0562,1.2868,.2295;2.3529,1.0595,-.6775;1.0936,1.4241,.1679;-2.0187,-1.1003,2.8531;-2.5333,-1.333,3.6357;-1.1765,-.6965,3.1873;-.6423,-.4228,-1.6398;-1.545,-.7964,-1.56;-.6165,.3043,-.9859;2.9494,.5692,-2.3014;2.9813,-.4176,-2.3;3.8342,.8661,-2.5472;2.0427,-.9709,1.7037;2.1487,-.1386,1.1747;2.9344,-1.2516,1.9442;-1.6838,-3.0485,.8678;-.7876,-2.9046,.5025;-1.761,-2.4118,1.6089;.8104,-2.38,-.352;1.2575,-1.936,.4013;.3156,-1.6623,-.8113;2.9077,-2.1668,-2.1723;2.1698,-2.3321,-1.5427;.9615,-.359,3.0233;2.6136,-2.5456,-3.01;.2296,.9682,3.3511; Optimization 15-agua/ CONF349 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF349/opt-b3lyp.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 R50 1 1 1 2 2 3 3 4 4 4 6 6 6 6 7 9 10 11 12 14 14 16 17 17 17 19 20 20 20 21 23 23 23 26 26 26 29 29 30 32 32 32 32 35 35 38 38 38 41 41 25 43 45 10 26 10 12 5 8 45 7 8 9 22 14 12 11 29 13 15 16 23 18 19 27 35 21 22 33 29 24 25 37 27 28 40 30 31 41 33 34 39 43 36 37 39 40 42 42 44 1.7125 0.9802 0.9819 0.9781 1.8457 1.7946 0.9853 0.9653 0.9828 1.8132 0.989 1.7933 0.9833 1.888 1.7479 1.7977 0.9787 1.8388 0.965 0.9763 0.9814 1.8057 0.9647 0.988 1.8119 1.7669 0.981 0.9743 1.7128 1.7981 0.9651 0.9919 1.8261 0.9802 0.9782 1.7721 0.9874 0.9651 1.7554 0.9918 0.9653 1.8012 1.8124 0.9784 0.9801 0.9821 0.9854 1.8077 0.984 0.9653 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 25 25 43 10 5 5 8 7 7 7 8 8 9 2 2 3 3 3 9 7 7 15 18 18 19 21 21 22 16 16 16 24 24 25 2 2 2 27 27 28 11 11 11 21 21 30 33 33 33 34 34 39 19 19 36 39 39 40 30 30 42 1 1 1 2 4 4 4 6 6 6 6 6 6 10 10 10 12 12 12 14 14 14 17 17 17 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 38 38 38 41 41 41 43 45 45 26 8 45 45 8 9 22 9 22 22 3 11 11 9 13 13 15 16 16 19 27 27 22 33 33 24 25 37 25 37 37 27 28 40 28 40 40 21 30 31 30 31 31 34 39 43 39 43 43 36 37 37 40 42 42 42 44 44 104.1088 105.1391 104.4262 161.0077 104.7605 107.3827 99.0112 101.1424 108.3388 145.2621 116.4172 77.5975 102.8714 95.8124 102.6865 110.1465 98.7736 105.1919 112.8838 104.5465 101.859 103.5538 106.8534 127.8751 98.0209 105.8484 107.5218 101.8608 118.1483 109.1464 92.4087 106.1254 117.0331 113.7103 127.1412 92.4761 124.3464 104.6617 101.1358 101.1296 92.8602 110.8657 122.6331 106.3776 116.759 106.1558 106.1588 96.346 99.7149 115.2812 117.8948 116.569 100.5269 100.0092 105.0072 104.8775 98.6798 92.9426 104.2008 109.9175 105.1273 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 10 6 4 6 10 14 17 20 6 1 17 29 20 23 32 26 38 1 1 10 6 4 6 10 14 17 20 6 1 17 29 20 23 32 26 38 1 1 3 7 8 9 11 16 19 21 22 25 27 30 33 37 39 40 42 43 45 3 7 8 9 11 16 19 21 22 25 27 30 33 37 39 40 42 43 45 12 14 6 12 29 23 35 29 20 23 26 41 32 35 38 38 41 32 4 12 14 6 12 29 23 35 29 20 23 26 41 32 35 38 38 41 32 4 1 1 23 17 4 4 4 3 1 2 1 1 4 2 3 1 2 5 2 1 1 23 17 4 4 4 3 1 2 1 1 4 2 3 1 2 5 2 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 173.1145 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 173.2027 172.3339 181.09 173.383 180.6925 166.7929 182.9654 177.216 175.5468 165.8906 174.5225 175.2468 175.4753 174.4713 180.6784 174.1883 175.5384 175.5476 182.9594 186.21 182.3073 198.8149 168.3335 188.0298 184.087 181.029 184.0283 180.0433 175.422 177.7987 171.3621 185.27 179.9368 177.2853 174.212 186.8534 178.3726 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 25 25 43 43 43 43 43 45 45 45 25 25 25 45 45 45 26 26 10 10 10 5 5 5 45 45 45 7 7 8 8 22 22 8 8 9 9 22 22 7 7 8 8 9 9 2 2 11 11 2 2 2 3 3 3 7 7 7 15 15 15 18 18 18 19 19 19 18 18 27 27 22 22 22 33 33 33 21 21 21 22 22 22 16 16 24 24 25 25 2 2 27 27 28 28 11 11 21 21 31 31 33 33 34 34 43 43 39 39 40 40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 4 4 4 4 23 23 23 23 23 23 32 32 32 32 32 32 10 10 26 26 26 6 6 6 6 6 6 12 12 12 12 12 12 14 14 14 14 14 14 20 20 20 20 20 20 12 12 12 12 29 29 29 29 29 29 23 23 23 23 23 23 26 26 26 26 26 26 35 35 35 35 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 41 41 41 41 41 41 38 38 38 38 38 38 41 41 41 41 5 8 5 8 16 24 37 16 24 37 33 34 39 33 34 39 3 11 27 28 40 7 9 22 7 9 22 3 13 3 13 3 13 15 16 15 16 15 16 21 33 21 33 21 33 9 13 9 13 21 30 31 21 30 31 24 25 37 24 25 37 2 28 40 2 28 40 36 37 36 37 11 30 31 11 30 31 34 39 43 34 39 43 19 36 19 36 19 36 39 42 39 42 39 42 42 44 42 44 42 44 40 42 40 42 40 42 30 44 30 44 -158.9448 -50.7543 -50.8733 57.3172 -92.1278 139.0248 7.8313 16.721 -112.1264 116.6801 106.8802 -139.1661 6.1243 -1.2732 112.6805 -102.0291 -66.1559 46.0403 149.5228 39.0005 -66.281 179.6656 -62.9159 34.9628 70.0199 -172.5616 -74.6829 -105.0197 4.5258 133.68 -116.7745 56.2956 165.8411 -157.5567 -51.1249 77.3163 -176.2518 -74.1968 32.235 104.5977 -8.7294 -166.1062 80.5667 -51.7797 -165.1068 29.9904 -85.3553 -74.7845 169.8699 -65.081 42.3341 169.9424 32.6942 140.1093 -92.2824 144.9799 21.9508 -93.1891 -108.3065 128.6644 13.5244 46.5395 150.9625 -106.9814 163.3565 -92.2205 9.8356 119.0438 -134.7145 -14.7246 91.517 17.0516 -95.8394 146.6725 125.1554 12.2643 -105.2237 74.5964 -44.3448 -161.5877 -175.5309 65.5279 -51.715 -10.3356 92.2738 112.0126 -145.378 -121.5473 -18.9379 88.3646 -11.8665 -120.5048 139.2641 -13.0792 -113.3103 -68.2079 43.3232 29.6743 141.2054 154.534 -93.9349 -32.7701 61.9052 -143.3249 -48.6496 70.4116 165.0869 -63.7806 -178.1948 41.3494 -73.0648 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00043 0.00073 0.00079 0.00080 0.00092 0.00111 0.00126 0.00148 0.00162 0.00182 0.00197 0.00240 0.00243 0.00279 0.00288 0.00313 0.00323 0.00353 0.00361 0.00407 0.00449 0.00457 0.00486 0.00519 0.00547 0.00573 0.00581 0.00597 0.00627 0.00649 0.00665 0.00721 0.00753 0.00777 0.00785 0.00823 0.00873 0.00906 0.00924 0.00963 0.00993 0.01019 0.01036 0.01089 0.01094 0.01108 0.01121 0.01146 0.01205 0.01216 0.01243 0.01265 0.01295 0.01301 0.01315 0.01357 0.01376 0.01383 0.01446 0.01475 0.01509 0.01555 0.01621 0.01630 0.01653 0.01673 0.01743 0.01762 0.01775 0.01855 0.01911 0.01916 0.01929 0.01976 0.02075 0.02177 0.02252 0.02549 0.03352 0.03490 0.04145 0.04156 0.04276 0.04375 0.04545 0.04569 0.04932 0.05187 0.05255 0.05364 0.05576 0.05618 0.06396 0.06434 0.07144 0.07877 0.08293 0.13940 0.21396 0.34894 0.38266 0.39013 0.39846 0.41605 0.42669 0.43358 0.43495 0.43891 0.44071 0.44260 0.44576 0.44878 0.45048 0.45445 0.45649 0.45821 0.46224 0.46589 0.46953 0.47332 0.48182 0.48807 0.52564 0.52621 0.52626 0.52671 0.52714 0.52720 0.52913 Angle between quadratic step and forces= 71.64 degrees. 1 2 3 0.00154972 0.00000339 0.00000000 0.00000353 0.00000101 0.00000101 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 R50 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 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 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 3.23616 1.85239 1.85554 1.84842 3.48781 3.39132 1.86201 1.82423 1.85722 3.42652 1.86890 3.38891 1.85809 3.56779 3.30301 3.39711 1.84942 3.47487 1.82360 1.84492 1.85458 3.41230 1.82294 1.86698 3.42407 3.33892 1.85387 1.84107 3.23665 3.39787 1.82374 1.87450 3.45085 1.85226 1.84862 3.34879 1.86587 1.82384 3.31717 1.87432 1.82414 3.40379 3.42500 1.84899 1.85204 1.85581 1.86209 3.41609 1.85941 1.82408 1.81704 1.83502 1.82258 2.81011 1.82842 1.87418 1.72807 1.76527 1.89087 2.53530 2.03186 1.35433 1.79544 1.67224 1.79222 1.92242 1.72392 1.83595 1.97019 1.82468 1.77778 1.80735 1.86494 2.23184 1.71079 1.84740 1.87661 1.77781 2.06208 1.90496 1.61284 1.85224 2.04261 1.98462 2.21903 1.61401 2.17025 1.82669 1.76515 1.76504 1.62072 1.93497 2.14035 1.85664 2.03783 1.85277 1.85282 1.68156 1.74035 2.01204 2.05765 2.03451 1.75453 1.74549 1.83272 1.83046 1.72229 1.62215 1.81865 1.91842 1.83482 3.02142 3.02296 3.00779 3.16062 3.02610 3.15368 2.91109 3.19335 3.09300 3.06387 2.89534 3.04599 3.05863 3.06262 3.04510 3.15343 3.04016 3.06372 3.06388 3.19324 3.24998 3.18186 3.46997 2.93797 3.28174 3.21292 3.15955 3.21190 3.14235 3.06169 3.10317 2.99083 3.23357 3.14049 3.09421 3.04057 3.26121 3.11319 -2.77411 -0.88583 -0.88791 1.00037 -1.60793 2.42644 0.13668 0.29184 -1.95698 2.03645 1.86541 -2.42891 0.10689 -0.02222 1.96665 -1.78074 -1.15464 0.80356 2.60966 0.68069 -1.15682 3.13576 -1.09809 0.61022 1.22208 -3.01177 -1.30346 -1.83294 0.07899 2.33316 -2.03810 0.98254 2.89447 -2.74988 -0.89230 1.34942 -3.07617 -1.29498 0.56261 1.82557 -0.15236 -2.89910 1.40615 -0.90373 -2.88166 0.52343 -1.48973 -1.30524 2.96479 -1.13588 0.73887 2.96605 0.57062 2.44537 -1.61063 2.53038 0.38311 -1.62646 -1.89031 2.24562 0.23605 0.81227 2.63479 -1.86718 2.85111 -1.60955 0.17166 2.07771 -2.35121 -0.25699 1.59727 0.29761 -1.67271 2.55992 2.18437 0.21405 -1.83650 1.30195 -0.77396 -2.82024 -3.06359 1.14368 -0.90260 -0.18039 1.61048 1.95499 -2.53733 -2.12140 -0.33053 1.54225 -0.20711 -2.10321 2.43062 -0.22828 -1.97764 -1.19045 0.75613 0.51791 2.46450 2.69713 -1.63947 -0.57195 1.08045 -2.50149 -0.84910 1.22891 2.88131 -1.11318 -3.11009 0.72168 -1.27522 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00002 -0.00003 0.00001 -0.00002 0.00001 -0.00002 0.00001 -0.00000 0.00001 -0.00002 0.00001 -0.00002 0.00002 -0.00001 0.00000 -0.00002 -0.00002 0.00001 -0.00000 -0.00002 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00002 0.00001 -0.00002 -0.00001 0.00000 -0.00002 -0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00003 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00001 0.00000 0.00002 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00002 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 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 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00002 0.00001 0.00002 0.00000 -0.00000 -0.00001 -0.00002 -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 0.00001 -0.00000 0.00001 -0.00000 -0.00002 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00068 -0.00010 -0.00004 0.00005 -0.00141 -0.00086 0.00002 -0.00003 -0.00013 0.00015 -0.00011 0.00085 -0.00007 0.00037 0.00081 0.00032 -0.00007 0.00070 -0.00004 0.00011 -0.00007 0.00102 -0.00005 -0.00002 -0.00019 -0.00094 -0.00008 -0.00003 0.00035 0.00054 -0.00002 0.00003 -0.00063 -0.00008 -0.00009 0.00113 -0.00008 -0.00002 0.00058 -0.00008 -0.00002 0.00100 0.00074 -0.00014 0.00003 -0.00008 -0.00012 -0.00166 0.00007 -0.00003 -0.00045 0.00041 0.00011 0.00131 -0.00002 -0.00015 0.00035 0.00024 0.00010 -0.00159 0.00134 -0.00002 0.00084 -0.00070 -0.00006 0.00170 -0.00018 0.00006 -0.00025 -0.00065 -0.00006 -0.00017 0.00035 0.00440 0.00034 0.00014 -0.00058 0.00055 0.00018 -0.00023 -0.00039 -0.00006 -0.00007 0.00059 0.00217 0.00023 -0.00292 0.00007 0.00037 0.00025 -0.00064 -0.00058 0.00018 0.00169 -0.00042 -0.00002 -0.00014 -0.00123 -0.00105 -0.00139 0.00165 0.00122 0.00087 0.00087 0.00003 0.00010 0.00237 0.00132 -0.00187 0.00053 0.00006 0.00112 -0.00013 0.00006 -0.00020 -0.00074 0.00055 -0.00024 0.00027 -0.00020 0.00012 -0.00006 -0.00014 0.00052 0.00054 0.00005 0.00057 0.00048 0.00044 0.00013 -0.00021 -0.00014 -0.00004 0.00006 -0.00082 0.00028 0.00070 -0.00039 0.00108 0.00011 0.00014 -0.00025 0.00009 0.00060 -0.00049 -0.00022 0.00006 0.00073 0.00015 0.00094 0.00102 0.00065 0.00073 -0.00120 -0.00119 -0.00150 -0.00109 -0.00108 -0.00139 0.00014 0.00005 0.00180 -0.00012 -0.00021 0.00154 0.00416 0.00572 -0.00403 -0.00503 -0.00483 -0.00100 -0.00007 0.00067 -0.00095 -0.00003 0.00072 -0.00052 -0.00073 -0.00217 -0.00238 -0.00242 -0.00263 0.00105 0.00070 -0.00068 -0.00103 0.00101 0.00066 -0.00058 -0.00055 -0.00026 -0.00024 0.00095 0.00097 0.00071 0.00085 0.00064 0.00078 0.00006 0.00147 0.00118 -0.00081 0.00059 0.00030 0.00052 0.00049 0.00009 -0.00026 -0.00029 -0.00069 -0.00459 -0.00321 -0.00287 -0.00127 0.00010 0.00045 0.00475 0.00505 -0.00083 -0.00053 0.00070 0.00115 0.00025 0.00125 0.00170 0.00081 -0.00255 -0.00028 -0.00122 -0.00231 -0.00004 -0.00098 -0.00037 0.00089 -0.00050 0.00076 -0.00006 0.00120 0.00125 -0.00164 0.00136 -0.00153 0.00164 -0.00126 -0.00187 -0.00259 -0.00215 -0.00287 -0.00164 -0.00236 -0.00068 0.00117 0.00062 0.00247 -0.00228 -0.00043 0.00105 0.00115 0.00148 0.00158 -0.00068 -0.00010 -0.00004 0.00005 -0.00141 -0.00086 0.00002 -0.00003 -0.00013 0.00015 -0.00011 0.00085 -0.00006 0.00037 0.00081 0.00032 -0.00007 0.00070 -0.00004 0.00011 -0.00007 0.00102 -0.00005 -0.00002 -0.00019 -0.00094 -0.00008 -0.00003 0.00035 0.00054 -0.00002 0.00003 -0.00063 -0.00008 -0.00009 0.00113 -0.00008 -0.00002 0.00058 -0.00008 -0.00002 0.00100 0.00074 -0.00014 0.00003 -0.00008 -0.00012 -0.00166 0.00006 -0.00003 -0.00045 0.00041 0.00011 0.00131 -0.00002 -0.00015 0.00034 0.00024 0.00010 -0.00159 0.00134 -0.00002 0.00084 -0.00071 -0.00006 0.00170 -0.00018 0.00006 -0.00025 -0.00065 -0.00006 -0.00017 0.00034 0.00440 0.00034 0.00014 -0.00058 0.00055 0.00018 -0.00023 -0.00039 -0.00006 -0.00007 0.00059 0.00217 0.00023 -0.00292 0.00007 0.00037 0.00025 -0.00064 -0.00058 0.00018 0.00169 -0.00042 -0.00002 -0.00014 -0.00123 -0.00105 -0.00139 0.00165 0.00122 0.00087 0.00087 0.00003 0.00010 0.00237 0.00132 -0.00187 0.00053 0.00006 0.00111 -0.00013 0.00006 -0.00020 -0.00074 0.00055 -0.00023 0.00027 -0.00020 0.00012 -0.00006 -0.00014 0.00052 0.00054 0.00005 0.00057 0.00048 0.00044 0.00013 -0.00021 -0.00014 -0.00004 0.00006 -0.00082 0.00028 0.00069 -0.00038 0.00108 0.00011 0.00014 -0.00025 0.00009 0.00060 -0.00049 -0.00022 0.00007 0.00073 0.00015 0.00094 0.00102 0.00065 0.00073 -0.00120 -0.00119 -0.00150 -0.00109 -0.00108 -0.00139 0.00014 0.00005 0.00180 -0.00012 -0.00021 0.00154 0.00416 0.00572 -0.00403 -0.00503 -0.00483 -0.00100 -0.00007 0.00067 -0.00095 -0.00002 0.00072 -0.00052 -0.00072 -0.00217 -0.00238 -0.00242 -0.00263 0.00105 0.00070 -0.00068 -0.00103 0.00101 0.00066 -0.00057 -0.00055 -0.00026 -0.00024 0.00095 0.00097 0.00071 0.00085 0.00064 0.00078 0.00006 0.00147 0.00118 -0.00081 0.00059 0.00030 0.00052 0.00049 0.00009 -0.00027 -0.00029 -0.00069 -0.00459 -0.00322 -0.00287 -0.00127 0.00010 0.00045 0.00475 0.00505 -0.00083 -0.00053 0.00070 0.00115 0.00026 0.00125 0.00170 0.00081 -0.00255 -0.00028 -0.00122 -0.00231 -0.00004 -0.00098 -0.00037 0.00089 -0.00050 0.00076 -0.00006 0.00120 0.00125 -0.00164 0.00136 -0.00153 0.00164 -0.00126 -0.00187 -0.00259 -0.00215 -0.00287 -0.00164 -0.00236 -0.00068 0.00117 0.00061 0.00246 -0.00228 -0.00043 0.00105 0.00115 0.00148 0.00158 3.23547 1.85228 1.85550 1.84847 3.48640 3.39046 1.86203 1.82420 1.85709 3.42667 1.86879 3.38976 1.85802 3.56816 3.30382 3.39742 1.84935 3.47557 1.82356 1.84503 1.85452 3.41332 1.82289 1.86696 3.42387 3.33798 1.85379 1.84104 3.23700 3.39841 1.82372 1.87453 3.45023 1.85218 1.84853 3.34992 1.86579 1.82382 3.31775 1.87424 1.82412 3.40479 3.42574 1.84885 1.85208 1.85573 1.86198 3.41443 1.85947 1.82405 1.81659 1.83544 1.82269 2.81143 1.82840 1.87403 1.72842 1.76551 1.89096 2.53371 2.03320 1.35431 1.79629 1.67154 1.79216 1.92412 1.72374 1.83601 1.96995 1.82403 1.77772 1.80719 1.86529 2.23624 1.71113 1.84754 1.87603 1.77836 2.06226 1.90473 1.61244 1.85217 2.04254 1.98521 2.22120 1.61424 2.16733 1.82677 1.76552 1.76530 1.62007 1.93439 2.14053 1.85833 2.03741 1.85275 1.85268 1.68032 1.73930 2.01065 2.05930 2.03573 1.75540 1.74636 1.83275 1.83056 1.72466 1.62347 1.81677 1.91896 1.83488 3.02253 3.02283 3.00785 3.16041 3.02537 3.15423 2.91085 3.19362 3.09280 3.06399 2.89528 3.04586 3.05916 3.06316 3.04515 3.15400 3.04064 3.06416 3.06401 3.19303 3.24984 3.18182 3.47004 2.93716 3.28202 3.21362 3.15917 3.21298 3.14246 3.06183 3.10293 2.99093 3.23417 3.14000 3.09399 3.04064 3.26194 3.11334 -2.77317 -0.88481 -0.88726 1.00111 -1.60914 2.42525 0.13518 0.29074 -1.95806 2.03506 1.86555 -2.42886 0.10869 -0.02235 1.96643 -1.77921 -1.15048 0.80928 2.60563 0.67565 -1.16165 3.13476 -1.09816 0.61089 1.22113 -3.01179 -1.30275 -1.83346 0.07826 2.33099 -2.04048 0.98012 2.89184 -2.74883 -0.89160 1.34875 -3.07720 -1.29397 0.56327 1.82500 -0.15291 -2.89936 1.40592 -0.90278 -2.88069 0.52414 -1.48888 -1.30459 2.96557 -1.13581 0.74034 2.96724 0.56981 2.44596 -1.61033 2.53089 0.38361 -1.62637 -1.89057 2.24533 0.23535 0.80768 2.63158 -1.87005 2.84984 -1.60945 0.17211 2.08246 -2.34616 -0.25782 1.59674 0.29831 -1.67156 2.56017 2.18562 0.21575 -1.83569 1.29940 -0.77424 -2.82146 -3.06590 1.14364 -0.90358 -0.18076 1.61137 1.95449 -2.53657 -2.12146 -0.32933 1.54350 -0.20875 -2.10184 2.42909 -0.22664 -1.97889 -1.19232 0.75354 0.51577 2.46163 2.69549 -1.64183 -0.57263 1.08162 -2.50088 -0.84663 1.22664 2.88088 -1.11213 -3.10893 0.72316 -1.27364 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000032 0.000009 0.006630 0.001552 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -4.622600e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 525 A 510 A 510 780 525 75 75 1456.1256166803 45 45 45 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=141 Grimme-D3(BJ) -0.0491421177 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 6.664018 0.000000 6.806001 2.129066 0.000000 2.792984 6.016014 5.280919 0.000000 3.225079 6.136738 5.309310 0.965339 0.000000 4.012466 3.448914 2.990297 2.769947 3.197026 0.000000 4.020244 3.856832 3.591804 3.092829 3.742303 0.988977 0.000000 3.077311 5.081544 4.370196 0.982797 1.543114 1.793334 2.208981 0.000000 4.958348 3.143171 2.177810 3.361503 3.661880 0.983257 1.598995 2.398301 0.000000 7.220122 0.978142 1.794608 6.303455 6.299345 3.886356 4.440306 5.393709 3.409126 0.000000 6.968545 1.528078 2.321260 6.175200 6.054342 4.030470 4.713749 5.337342 3.692473 0.978670 0.000000 6.654546 2.995709 0.985331 4.809694 4.874147 2.754172 3.321570 3.934336 1.797672 2.774524 3.239498 0.000000 7.304175 3.366929 1.549343 5.447866 5.612395 3.316031 3.653313 4.568240 2.347773 3.189668 3.850979 0.965007 0.000000 4.403917 4.962514 5.034119 4.178889 5.018976 2.728731 1.747879 3.532343 3.247770 5.709404 6.093610 4.787194 4.867763 0.000000 4.949713 4.590372 5.004402 4.958086 5.737381 3.106352 2.205768 4.233763 3.543276 5.423513 5.867121 4.921180 4.944694 0.976287 0.000000 3.665360 5.432512 5.655587 3.990002 4.858936 3.042537 2.173309 3.499767 3.771625 6.211545 6.470259 5.450640 5.652611 0.981404 1.537980 0.000000 5.941972 4.301083 5.439248 6.400385 7.065156 4.234875 3.592294 5.622100 4.596007 5.253286 5.705002 5.677220 5.691253 2.828941 1.876817 3.076757 0.000000 6.855252 4.850352 6.067801 7.339512 8.015272 5.133100 4.476832 6.556422 5.411758 5.786099 6.306917 6.339091 6.248279 3.593400 2.622604 3.880491 0.964659 0.000000 5.460103 4.732001 5.983960 6.344334 7.005904 4.460334 3.852615 5.654659 4.992629 5.704114 6.010962 6.241414 6.375661 3.065333 2.251918 2.992223 0.987963 1.568203 0.000000 4.031873 3.870273 3.882620 3.460323 3.149028 2.859923 3.717283 2.984184 3.232036 3.995779 3.432284 4.084357 4.999911 5.245559 5.469026 5.185124 5.996998 6.900510 5.911535 0.000000 4.885743 3.322420 3.594992 4.383504 4.079228 3.309793 4.168049 3.813229 3.502396 3.342993 2.635207 4.016118 4.922787 5.691628 5.769278 5.717427 6.039709 6.881480 6.005454 0.981026 0.000000 3.821045 3.427183 3.310428 2.994509 2.914906 1.887994 2.758872 2.307850 2.314818 3.672614 3.337872 3.412758 4.273224 4.339665 4.588864 4.367444 5.261221 6.176616 5.263138 0.974253 1.560002 0.000000 2.702544 6.427012 6.906468 4.276400 5.070522 4.118681 3.523817 4.091988 5.030205 7.228637 7.282304 6.795267 7.159204 2.780859 3.098851 1.805713 4.001068 4.769743 3.454339 5.402408 6.020065 4.823836 0.000000 3.150631 7.367406 7.798488 4.830630 5.655509 4.970210 4.326047 4.779450 5.862908 8.173933 8.243646 7.634537 7.957715 3.376187 3.732613 2.415822 4.650561 5.318312 4.084978 6.287203 6.942857 5.725545 0.965080 0.000000 1.712500 6.432189 6.791882 3.590501 4.310609 3.910464 3.519617 3.549721 4.874906 7.155898 7.097668 6.661176 7.137394 3.242312 3.690048 2.327979 4.659689 5.503767 4.129403 4.809620 5.520651 4.332121 0.991941 1.564318 0.000000 5.381905 1.845670 3.334791 5.350199 5.682334 2.858670 2.934796 4.459968 3.065567 2.788791 3.018216 3.868442 4.240779 3.653599 3.179562 3.931943 2.770900 3.494459 3.000153 3.701236 3.477773 3.113333 4.747654 5.677622 4.864343 0.000000 5.579843 2.559652 3.926761 5.693327 6.162013 3.204311 2.965105 4.813428 3.450781 3.527906 3.904687 4.351071 4.551227 3.194121 2.517882 3.519067 1.811938 2.521885 2.181458 4.528822 4.406453 3.857283 4.448842 5.315952 4.762612 0.980175 0.000000 4.723130 2.125905 2.947504 4.406993 4.755025 1.885019 2.065394 3.497250 2.186269 2.912894 3.098934 3.287533 3.756160 3.116921 2.892389 3.407204 3.094406 3.940809 3.315605 3.096079 3.079432 2.347323 4.321717 5.264414 4.327939 0.978248 1.550196 0.000000 6.523386 3.029832 3.826373 6.140167 5.843604 4.626568 5.410540 5.490880 4.596820 2.800195 1.838823 4.569002 5.361583 6.834471 6.694386 6.966158 6.528531 7.218864 6.567492 2.778151 1.798075 3.205038 7.351062 8.302248 6.982208 3.784464 4.755423 3.809999 0.000000 6.528542 3.244180 4.483990 6.553365 6.330947 4.998834 5.674861 5.913387 5.100630 3.240600 2.376876 5.264748 6.009037 6.929496 6.696044 6.982092 6.303646 6.950288 6.240671 3.187355 2.282361 3.611920 7.212508 8.153570 6.890269 3.683212 4.601949 3.897644 0.987375 0.000000 7.169552 3.865027 4.437660 6.708673 6.294404 5.423116 6.259732 6.133291 5.345772 3.470384 2.495356 5.151640 5.958751 7.740739 7.635864 7.864166 7.492328 8.173842 7.524412 3.323905 2.393162 3.897954 8.202844 9.143823 7.773928 4.745945 5.716151 4.749938 0.965133 1.560995 0.000000 2.786579 5.371716 6.095655 4.251075 4.243559 4.207958 4.585734 4.084003 5.006878 5.858637 5.335803 6.336886 7.129656 5.419042 5.557187 4.908776 5.806236 6.683934 5.286011 2.696356 3.144620 2.999219 4.222937 4.980376 3.555324 4.323062 4.853187 3.991394 4.385695 4.149245 4.965246 0.000000 3.081151 4.753045 5.281485 3.808348 3.678159 3.620515 4.178282 3.546033 4.316721 5.129952 4.570024 5.517933 6.358687 5.296076 5.471422 4.939723 5.827184 6.731985 5.462361 1.712762 2.215335 2.137441 4.594428 5.422553 3.926692 3.973880 4.642608 3.536968 3.636634 3.583915 4.207464 0.991847 0.000000 3.380322 6.050080 6.798059 4.912756 4.769708 5.090360 5.524041 4.851813 5.846304 6.461734 5.833529 7.075610 7.909134 6.380052 6.514365 5.846862 6.686771 7.537371 6.128003 3.186676 3.542978 3.701788 5.038105 5.723995 4.330557 5.130817 5.705392 4.859552 4.619584 4.325610 5.046471 0.965293 1.564753 0.000000 4.596336 5.609582 6.906599 6.221499 6.829883 4.957581 4.486812 5.729062 5.715100 6.546851 6.604815 7.169409 7.495461 3.862866 3.392202 3.334283 2.736446 3.272009 1.766880 5.761040 5.963133 5.311159 2.801647 3.365330 3.342071 3.777217 3.314451 3.977024 6.678198 6.222484 7.578597 4.347649 4.821751 5.071019 0.000000 4.433363 5.051827 6.464185 6.022558 6.515540 4.689860 4.406651 5.501526 5.436045 5.953445 5.903549 6.815644 7.232948 4.169970 3.726797 3.701440 3.026868 3.647986 2.170462 5.072405 5.193209 4.731688 3.208862 3.915897 3.497934 3.281754 3.044987 3.541400 5.821876 5.314430 6.699257 3.632195 4.089517 4.320222 0.978443 0.000000 3.790094 5.803555 6.829090 5.475578 6.141068 4.533336 4.010980 5.069779 5.372129 6.706869 6.755209 6.967785 7.318736 3.324918 3.083346 2.621537 3.016280 3.688524 2.164330 5.491179 5.848246 4.993959 1.826114 2.422408 2.403208 3.970119 3.563424 3.926843 6.809150 6.461041 7.702218 4.068595 4.543264 4.848228 0.980059 1.553859 0.000000 4.690004 4.105529 5.676580 5.925167 6.157343 4.474247 4.589325 5.351525 5.097618 4.857762 4.561845 6.203432 6.779760 5.035914 4.666191 4.740648 4.012690 4.685405 3.478533 3.916068 3.783597 3.849966 4.462606 5.308359 4.394260 2.756750 3.084663 3.105390 4.131980 3.515404 4.949701 2.780299 3.024174 3.325238 2.855888 1.886552 3.233951 0.000000 3.906103 4.451626 5.735439 5.264688 5.434465 4.229699 4.439417 4.803448 4.945934 5.118203 4.719017 6.168877 6.836265 5.034706 4.851288 4.638248 4.557134 5.330602 4.003520 3.324722 3.367015 3.372210 4.176540 5.019485 3.901685 3.172540 3.605404 3.233389 4.054996 3.545933 4.815061 1.801206 2.150126 2.379326 3.179057 2.265117 3.285711 0.982051 0.000000 4.761301 3.199608 4.775196 5.558187 5.826586 3.736776 3.853246 4.861959 4.268321 4.010372 3.837864 5.309661 5.840571 4.404900 3.996555 4.278422 3.392192 4.115558 3.067717 3.579094 3.402471 3.330189 4.380927 5.291490 4.375840 1.772103 2.184498 2.183248 3.759929 3.297166 4.667666 3.128251 3.102532 3.823553 2.956091 2.118087 3.275836 0.985378 1.559586 0.000000 6.735496 4.137030 5.818041 7.418671 7.324169 5.878165 6.349941 6.816271 6.167954 4.435814 3.779870 6.606769 7.270488 7.264048 6.888314 7.174309 6.125748 6.665271 5.863329 4.291967 3.598770 4.654279 7.117695 8.002008 6.896980 3.990918 4.698857 4.464686 2.739395 1.755373 3.193392 4.147454 3.986469 4.217073 5.576859 4.621020 6.012806 2.785185 3.065872 2.970847 0.000000 5.992148 3.969258 5.691508 6.872954 6.883860 5.332952 5.699706 6.272382 5.736280 4.460994 3.924684 6.409624 7.051163 6.474485 6.089038 6.323183 5.325243 5.898364 4.980802 4.031067 3.504942 4.265355 6.195485 7.066316 6.020483 3.400374 4.019728 3.876019 3.098508 2.212904 3.742676 3.522456 3.492236 3.729650 4.601533 3.640982 5.038842 1.807719 2.183597 2.102786 0.983955 0.000000 0.980242 6.173474 6.511193 3.161063 3.408477 3.946693 4.099695 3.272830 4.880724 6.716264 6.371818 6.491816 7.206046 4.672731 5.072651 3.993517 5.810106 6.728911 5.291285 3.422314 4.200508 3.368991 3.075679 3.679318 2.170697 4.931636 5.242123 4.359312 5.758954 5.693889 6.386214 1.812431 2.208021 2.419448 4.344735 3.986689 3.691369 3.937007 3.074014 4.101157 5.835226 5.118694 0.000000 7.494654 4.136451 5.999039 8.128512 8.082904 6.345224 6.753829 7.458560 6.555302 4.439334 3.905723 6.857283 7.428434 7.573106 7.090006 7.556542 6.114539 6.532020 5.919878 5.049001 4.301772 5.307404 7.610769 8.492727 7.496110 4.121241 4.738819 4.759442 3.212019 2.273217 3.652948 5.002435 4.849891 5.130440 5.810192 4.902527 6.363126 3.216174 3.721217 3.300868 0.965263 1.547778 6.626570 0.000000 0.981908 6.351743 6.209938 1.813235 2.294681 3.414197 3.519357 2.193614 4.299131 6.826252 6.607916 5.958868 6.614526 4.158750 4.816795 3.581266 6.010025 6.951493 5.679435 3.630735 4.554846 3.329704 3.095358 3.606982 2.185200 5.254012 5.511929 4.468364 6.285459 6.436388 6.913276 3.124345 3.105572 3.771352 5.095237 4.914039 4.292088 5.026040 4.265264 4.924637 6.892619 6.213301 1.550678 7.648139 0.000000 H30O15 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 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.6499,.3094,-2.497;-2.4708,.381,1.7671;-2.438,2.488,1.4638;1.5728,2.8286,-1.9546;.9057,3.0191,-2.6259;.253,1.9036,.2982;1.0289,1.7445,.8905;1.059,2.5765,-1.1556;-.3755,2.4987,.7648;-3.2759,.9056,1.5847;-3.5382,.5942,.6947;-1.8723,3.2893,1.3699;-1.7771,3.6379,2.2647;2.4208,1.2165,1.8064;2.0712,.5365,2.4135;2.9161,.6955,1.1382;1.3503,-1.0353,3.143;1.4233,-1.4339,4.0184;1.7222,-1.6865,2.4998;-1.2926,.8899,-1.8842;-2.1352,.5286,-1.535;-.7953,1.2034,-1.1072;3.6303,-.422,-.0871;4.592,-.4797,-.1449;3.3153,-.1589,-.9902;-.8291,-.4319,1.5418;-.16,-.6163,2.234;-.4706,.333,1.0484;-3.6666,-.2124,-.9528;-3.4976,-1.1827,-.8834;-4.4403,-.1145,-1.5213;.2957,-1.18,-2.5648;-.3385,-.435,-2.4017;.0076,-1.6038,-3.3828;2.2475,-2.5702,1.0628;1.4025,-2.6349,.5738;2.7524,-1.866,.6049;-.3139,-2.5067,-.1987;-.0741,-2.0903,-1.0552;-.5151,-1.7519,.4019;-3.023,-2.8662,-.736;-2.0612,-2.8289,-.5316;1.8539,-.2547,-2.5923;-3.4319,-3.2559,.0467;2.2936,1.2125,-2.3504; 0.3025487 0.2370598 0.2255625 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= 510 RedAO= T EigKep= 1.27D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 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= 523 523 523 523 523 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22795278166 -1147.22795278 1 1.143311850851e+03 -5.623377132518e+03 1.876746089020e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 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= 45. Will process 46 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111 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. 13726 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 15099494400 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= 780000000 NMat= 135 IRICut= 337 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 138 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 135 vectors produced by pass 0 Test12= 3.26D-14 1.00D-09 XBig12= 6.56D+01 1.38D+00. AX will form 135 AO Fock derivatives at one time. 135 vectors produced by pass 1 Test12= 3.26D-14 1.00D-09 XBig12= 1.93D+00 1.32D-01. 135 vectors produced by pass 2 Test12= 3.26D-14 1.00D-09 XBig12= 1.92D-02 1.31D-02. 135 vectors produced by pass 3 Test12= 3.26D-14 1.00D-09 XBig12= 5.68D-05 5.82D-04. 135 vectors produced by pass 4 Test12= 3.26D-14 1.00D-09 XBig12= 8.79D-08 1.62D-05. 74 vectors produced by pass 5 Test12= 3.26D-14 1.00D-09 XBig12= 8.73D-11 6.20D-07. 5 vectors produced by pass 6 Test12= 3.26D-14 1.00D-09 XBig12= 6.89D-14 2.34D-08. 3 vectors produced by pass 7 Test12= 3.26D-14 1.00D-09 XBig12= 1.58D-15 3.31D-09. 3 vectors produced by pass 8 Test12= 3.26D-14 1.00D-09 XBig12= 1.15D-15 2.22D-09. 3 vectors produced by pass 9 Test12= 3.26D-14 1.00D-09 XBig12= 4.15D-15 4.72D-09. 3 vectors produced by pass 10 Test12= 3.26D-14 1.00D-09 XBig12= 1.32D-15 2.65D-09. 3 vectors produced by pass 11 Test12= 3.26D-14 1.00D-09 XBig12= 5.78D-15 5.61D-09. 3 vectors produced by pass 12 Test12= 3.26D-14 1.00D-09 XBig12= 4.31D-16 1.46D-09. 3 vectors produced by pass 13 Test12= 3.26D-14 1.00D-09 XBig12= 1.58D-15 3.71D-09. 1 vectors produced by pass 14 Test12= 3.26D-14 1.00D-09 XBig12= 2.64D-16 1.08D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 776 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 168.92 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 170.702 -0.535 168.338 0.202 0.274 167.716 157.879 -0.306 154.480 1.029 -0.112 157.070 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT18889.100S Thu Jul 18 22:50:51 2024 -19.12932 -19.12847 -19.12819 -19.12662 -19.12565 -19.12279 -19.12269 -19.12255 -19.12199 -19.11696 -19.11683 -19.11484 -19.11438 -19.11340 -19.11262 -1.03041 -1.02403 -1.02148 -1.02007 -1.01788 -1.01308 -1.01226 -1.00884 -1.00799 -1.00295 -0.99932 -0.99585 -0.99349 -0.99148 -0.98880 -0.54527 -0.54451 -0.54042 -0.53904 -0.53524 -0.53386 -0.53234 -0.53070 -0.52878 -0.52815 -0.52435 -0.52291 -0.52081 -0.51990 -0.51754 -0.44171 -0.43784 -0.42747 -0.42643 -0.41933 -0.41317 -0.40305 -0.40118 -0.39892 -0.39388 -0.39060 -0.38606 -0.37977 -0.37582 -0.36479 -0.33037 -0.32921 -0.32834 -0.32727 -0.32681 -0.32578 -0.32248 -0.32109 -0.32011 -0.31872 -0.31864 -0.31655 -0.31577 -0.31534 -0.31412 -0.00189 0.02732 0.03453 0.03489 0.05811 0.05951 0.06568 0.07816 0.08266 0.09030 0.09934 0.10731 0.10957 0.11207 0.11651 0.11770 0.12146 0.13404 0.13654 0.13983 0.14805 0.15127 0.15395 0.15492 0.16318 0.16531 0.17172 0.17440 0.17866 0.18014 0.18559 0.18681 0.19249 0.19496 0.19933 0.20208 0.20939 0.21383 0.21469 0.22325 0.22566 0.22932 0.23232 0.23552 0.24270 0.24610 0.24891 0.25349 0.25546 0.25813 0.26161 0.26486 0.26928 0.27253 0.27366 0.27587 0.27943 0.28257 0.28404 0.28843 0.28954 0.29091 0.29548 0.29911 0.30147 0.30472 0.30935 0.31760 0.32192 0.32667 0.32856 0.34460 0.35165 0.36523 0.38685 0.39234 0.40228 0.40923 0.42265 0.43563 0.44564 0.46192 0.46509 0.47033 0.48113 0.48794 0.49478 0.50256 0.51546 0.52046 0.53182 0.53847 0.55079 0.55233 0.55460 0.56272 0.56636 0.57372 0.57962 0.58235 0.58717 0.59224 0.59914 0.61043 0.62339 0.62408 0.63320 0.64373 0.65089 0.65353 0.65985 0.67338 0.67921 0.68677 0.69586 0.70195 0.71158 0.72015 0.73192 0.74006 0.93507 0.95070 0.95298 0.96460 0.97525 0.97655 0.98538 0.99355 0.99730 1.00103 1.01096 1.01192 1.02139 1.02225 1.03353 1.03982 1.04481 1.04807 1.05204 1.05431 1.06960 1.07301 1.07441 1.07827 1.08679 1.09050 1.09659 1.09981 1.10618 1.10640 1.11195 1.11403 1.11928 1.12861 1.13510 1.13792 1.14598 1.14830 1.15296 1.16027 1.16886 1.18027 1.18710 1.20013 1.21952 1.24936 1.25184 1.26091 1.26266 1.27701 1.28680 1.29419 1.29945 1.30307 1.31083 1.31686 1.32264 1.32773 1.33599 1.34528 1.35195 1.35835 1.36973 1.37739 1.37845 1.38294 1.38941 1.39737 1.41004 1.41743 1.42178 1.43158 1.43544 1.44662 1.45109 1.45992 1.46950 1.47726 1.48228 1.49546 1.49820 1.51053 1.52227 1.53795 1.54232 1.55459 1.56066 1.57349 1.58558 1.58787 1.60353 1.60736 1.61765 1.62724 1.63022 1.63482 1.64499 1.66170 1.66373 1.66878 1.67167 1.68301 1.69757 1.71473 1.71866 1.73645 1.74572 1.75414 1.75661 1.76539 1.77607 1.79292 1.79332 1.80359 1.81572 1.83484 1.83711 1.84717 1.86785 1.88869 2.02609 2.03417 2.03724 2.04045 2.05035 2.06329 2.06569 2.16087 2.19117 2.23765 2.24840 2.27480 2.28377 2.29187 2.30611 2.32584 2.33329 2.34217 2.34999 2.36740 2.36948 2.39319 2.40401 2.42968 2.44740 2.45786 2.47684 2.49789 2.51587 2.52929 2.55828 2.58117 2.58403 2.59060 2.60035 2.61176 2.62614 2.67388 2.69311 2.70440 2.71157 2.71795 2.72517 2.73631 2.74525 2.75134 2.76036 2.77246 2.78507 2.79574 2.80438 2.82498 2.83636 2.84720 2.85269 2.87215 2.88332 2.91263 2.92382 2.93032 3.06708 3.07664 3.08190 3.08511 3.08775 3.09342 3.09528 3.09616 3.09774 3.10820 3.11136 3.11407 3.11700 3.12638 3.12919 3.13466 3.14049 3.14231 3.14805 3.15206 3.15598 3.15893 3.16435 3.16841 3.17312 3.18419 3.18679 3.19773 3.21541 3.23764 3.29596 3.29973 3.30542 3.30781 3.31496 3.32315 3.32503 3.33199 3.34409 3.34932 3.35686 3.36508 3.37718 3.38224 3.39393 3.67947 3.69439 3.70194 3.70457 3.71802 3.72024 3.72544 3.73238 3.73948 3.74592 3.75647 3.76397 3.77837 3.81427 3.84732 3.90777 3.91516 3.92178 3.92757 3.93057 3.93546 3.94035 3.94304 3.95057 3.95707 3.96195 3.98008 3.98206 4.00064 4.02784 5.00674 5.01241 5.01707 5.02361 5.02929 5.03409 5.03775 5.04442 5.04783 5.05892 5.06545 5.10161 5.17010 5.19497 5.22961 5.36624 5.38845 5.39555 5.40758 5.41534 5.43516 5.44957 5.45235 5.46202 5.46411 5.48739 5.49018 5.51941 5.55194 5.56808 5.65602 5.66235 5.66752 5.67447 5.67967 5.68130 5.69338 5.70596 5.71580 5.73155 5.74900 5.76650 5.77753 5.78446 5.85994 49.87838 49.88715 49.90027 49.90400 49.91580 49.91779 49.92857 49.93181 49.93619 49.94095 49.95478 49.95825 49.96733 49.97621 49.99196 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.776252 0.350738 0.417377 -0.701793 0.303448 -0.903499 0.449166 0.396013 0.454169 -0.747834 0.382957 -0.748996 0.318757 -0.751121 0.374775 0.389073 -0.784169 0.369906 0.395983 -0.811844 0.440463 0.387341 -0.789767 0.340145 0.429085 -0.784135 0.433166 0.385176 -0.771718 0.428841 0.346188 -0.768458 0.424184 0.337373 -0.782749 0.393161 0.404873 -0.815601 0.423866 0.393541 -0.737098 0.407969 0.378694 0.317632 0.400975 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 4 6 10 12 14 17 20 23 26 29 32 35 38 41 O O O O O O O O O O O O O O O 0.003418 -0.002332 -0.000164 -0.014139 -0.012863 0.012728 -0.018280 0.015960 -0.020537 0.034207 0.003311 -0.006901 0.015285 0.001806 -0.011498 0.00000 -1.38760152e+00 -1.14164811e+00 5.39219193e-01 1.70702326e+02 -5.34960515e-01 1.68337886e+02 2.02101454e-01 2.74125708e-01 1.67715786e+02 -8.2360 -0.0009 -0.0004 0.0008 6.5837 13.3083 35.9353 42.8410 44.0285 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 35.8953 42.7518 44.0176 45.1557 46.0530 51.6391 55.9473 58.7639 60.4471 62.3640 68.0880 74.3591 80.5396 85.0515 89.4772 98.1678 121.4383 141.7377 151.8751 157.6107 171.8886 175.8860 180.2230 189.1711 194.6631 201.4520 204.4017 213.9178 216.7792 218.8275 226.8466 227.9653 230.9265 245.4728 248.1236 253.8491 258.3630 259.8374 261.7591 267.7346 271.0039 282.6640 284.3279 290.2580 300.8649 305.4298 413.3114 422.7403 427.7311 443.8663 447.0178 450.4521 464.0024 509.0272 520.2822 534.3138 546.0096 557.0379 560.2607 572.1885 590.2887 614.2312 636.7266 644.9312 646.9368 661.8045 672.3523 679.8711 687.5218 708.1793 714.0835 725.8957 746.7239 752.8041 759.4826 773.4655 783.3644 813.0745 845.2572 873.2410 884.5178 895.4966 904.7470 939.1726 1601.4445 1604.3264 1606.4009 1609.1947 1611.5251 1618.3001 1620.6630 1627.9145 1638.7762 1641.7530 1654.6998 1656.0202 1657.7086 1661.1249 1666.9074 3225.8417 3239.1974 3286.7737 3318.6930 3325.2603 3364.7607 3368.5486 3415.2686 3423.3443 3443.8902 3456.6256 3470.8381 3472.9116 3473.9145 3488.5344 3504.0774 3506.3037 3538.1566 3548.6639 3551.5699 3571.7105 3588.6351 3645.1814 3825.3166 3827.4377 3827.4723 3829.8265 3830.6250 3830.7757 3837.6590 5.6977 5.5347 6.0492 5.9229 5.3844 5.9158 6.5760 5.9694 6.5623 6.1456 6.2991 6.6371 6.4653 6.5962 6.2745 7.0406 4.9294 5.8858 5.0934 2.6279 3.9827 5.0789 4.5415 4.8672 3.9643 5.6180 6.3895 5.3605 5.4235 3.0898 3.3735 3.4370 5.7120 4.7211 3.6788 2.0094 2.4889 1.3333 1.5066 2.8949 4.2782 1.6398 2.7509 2.6504 1.4621 1.2306 1.0551 1.0593 1.0744 1.0669 1.0842 1.0632 1.0614 1.0370 1.0391 1.0453 1.0313 1.0348 1.0460 1.0480 1.0427 1.0409 1.0445 1.0494 1.0447 1.0488 1.0588 1.0589 1.0460 1.0539 1.0576 1.0595 1.0494 1.0346 1.0414 1.0470 1.0498 1.0390 1.0326 1.0358 1.0341 1.0364 1.0271 1.0264 1.0740 1.0707 1.0742 1.0722 1.0738 1.0725 1.0708 1.0698 1.0684 1.0689 1.0696 1.0732 1.0681 1.0678 1.0653 1.0671 1.0676 1.0623 1.0655 1.0655 1.0621 1.0664 1.0682 1.0714 1.0676 1.0637 1.0622 1.0635 1.0638 1.0587 1.0748 1.0589 1.0548 1.0818 1.0757 1.0694 1.0696 1.0686 1.0671 1.0668 1.0665 1.0672 1.0664 1.0669 1.0671 0.0043 0.0060 0.0069 0.0071 0.0067 0.0093 0.0121 0.0121 0.0141 0.0141 0.0172 0.0216 0.0247 0.0281 0.0296 0.0400 0.0428 0.0697 0.0692 0.0385 0.0693 0.0926 0.0869 0.1026 0.0885 0.1343 0.1573 0.1445 0.1502 0.0872 0.1023 0.1052 0.1795 0.1676 0.1334 0.0763 0.0979 0.0530 0.0608 0.1223 0.1851 0.0772 0.1310 0.1316 0.0780 0.0676 0.1062 0.1115 0.1158 0.1238 0.1276 0.1271 0.1346 0.1583 0.1657 0.1758 0.1811 0.1892 0.1935 0.2022 0.2141 0.2314 0.2495 0.2572 0.2576 0.2707 0.2820 0.2884 0.2913 0.3114 0.3177 0.3289 0.3448 0.3455 0.3539 0.3691 0.3796 0.4047 0.4347 0.4654 0.4767 0.4897 0.4954 0.5334 1.6228 1.6237 1.6333 1.6358 1.6431 1.6549 1.6571 1.6704 1.6906 1.6975 1.7254 1.7341 1.7293 1.7359 1.7439 6.5426 6.5999 6.7617 6.9138 6.9417 7.0850 7.1295 7.3411 7.3980 7.4605 7.4879 7.5393 7.5573 7.5643 7.5912 7.7752 7.6701 7.7801 8.0265 7.9946 8.0378 8.1156 8.3656 9.1997 9.2077 9.2051 9.2222 9.2195 9.2242 9.2595 1.1611 4.2865 8.0386 1.4003 6.1038 3.3618 0.2318 3.1828 2.9189 0.5795 1.2618 2.0703 1.3615 6.1325 2.3219 3.0735 5.5849 2.1774 24.5684 26.1758 53.5438 64.1204 22.4379 19.0005 9.4604 1.8740 42.9902 74.4564 104.0309 52.7875 8.3887 61.2771 48.5484 162.7045 25.4030 67.8583 112.6375 250.0343 27.1618 63.7776 111.7577 149.7042 77.7959 41.6807 282.4597 108.6571 85.1425 158.0299 125.2251 215.1617 35.6384 29.3614 138.6496 95.7631 98.6216 103.0010 27.5553 16.3060 76.3535 83.8441 40.1182 60.5853 99.7903 168.1100 37.9684 143.7816 43.2235 481.1736 107.5945 500.0972 696.0982 3.8601 393.2902 191.5632 503.4838 57.0071 669.9004 560.7964 134.4168 68.5237 132.8673 298.1072 57.6071 80.1486 158.4704 344.8173 152.0857 95.6501 14.4155 117.3424 116.9450 73.8772 86.2505 77.4779 129.6528 171.9934 47.8794 170.7942 100.5196 1558.1354 1057.1852 1577.2877 855.1815 856.4362 2572.3636 671.5977 1879.1560 1872.6626 306.6112 864.8999 1044.4846 286.7223 1002.9901 1434.6650 970.3277 775.7640 547.5461 83.1877 538.1321 986.6343 889.2054 576.3892 131.1831 119.6781 126.3180 129.0471 122.5691 124.3985 127.6627 0.02 -0.03 -0.03 -0.03 -0.11 0.01 0.01 -0.12 0.24 -0.02 -0.04 -0.08 -0.01 -0.06 -0.09 -0.06 0.02 -0.06 -0.03 0.01 -0.09 -0.03 0.00 -0.07 -0.05 -0.03 0.02 -0.05 -0.11 0.07 -0.04 -0.01 0.04 0.03 -0.13 0.34 0.16 -0.31 0.39 -0.01 0.08 -0.11 0.00 0.11 -0.06 -0.01 0.04 -0.08 -0.01 0.16 0.02 -0.02 0.19 0.03 -0.01 0.13 0.04 0.08 -0.06 -0.08 0.05 0.01 -0.09 0.06 -0.02 -0.08 0.01 -0.01 -0.02 0.01 -0.02 -0.00 0.02 -0.02 -0.02 -0.01 -0.01 -0.04 -0.01 0.05 -0.02 -0.04 -0.01 -0.06 0.01 0.13 -0.05 -0.01 0.13 -0.08 0.02 0.17 -0.05 0.07 -0.10 0.04 0.07 -0.10 0.00 0.08 -0.13 0.04 -0.02 0.06 0.09 -0.01 0.01 0.08 -0.02 0.03 0.04 -0.03 -0.06 0.04 0.01 -0.08 0.04 -0.02 -0.05 0.02 -0.04 0.12 -0.12 -0.05 0.06 -0.07 0.04 -0.06 -0.01 -0.10 0.09 -0.17 -0.00 -0.04 -0.03 0.09 0.12 -0.02 -0.04 -0.00 -0.00 -0.03 -0.00 0.04 0.07 0.10 0.03 0.12 0.17 0.01 -0.05 0.03 -0.06 -0.07 -0.00 -0.05 0.01 0.08 -0.01 -0.06 0.01 -0.04 -0.04 0.00 0.01 -0.02 0.03 -0.00 -0.02 -0.01 0.05 0.02 -0.05 0.06 -0.10 -0.03 -0.04 -0.10 -0.05 -0.05 -0.07 -0.01 -0.03 -0.06 -0.08 -0.08 -0.09 -0.09 -0.09 -0.04 -0.06 -0.08 0.09 -0.09 -0.07 0.09 -0.07 -0.06 0.07 -0.03 -0.07 -0.01 0.02 -0.01 -0.00 0.03 0.04 0.04 0.06 -0.01 -0.04 -0.01 -0.06 -0.03 -0.02 -0.08 -0.05 -0.00 -0.06 0.06 0.02 -0.01 0.00 0.02 0.11 0.07 -0.01 -0.02 0.17 -0.04 0.00 0.14 -0.06 -0.02 0.23 -0.03 -0.03 -0.01 -0.03 -0.09 -0.02 -0.03 -0.08 -0.02 -0.01 -0.07 -0.03 -0.03 -0.03 -0.00 -0.05 -0.03 -0.02 -0.01 -0.05 -0.12 0.01 0.37 -0.08 -0.01 0.19 0.11 0.08 -0.02 -0.01 0.22 0.53 0.06 0.10 -0.00 0.04 -0.17 0.01 0.00 -0.06 0.07 -0.08 -0.07 0.07 0.32 -0.08 0.08 0.47 0.15 -0.00 -0.07 0.07 -0.08 -0.08 0.05 -0.07 0.14 -0.02 -0.02 -0.09 0.04 -0.06 -0.04 -0.09 0.14 -0.06 -0.07 0.13 -0.12 -0.05 0.02 -0.09 -0.02 0.00 -0.08 0.05 -0.09 -0.07 0.07 -0.06 -0.05 0.03 -0.05 -0.04 0.06 -0.04 -0.10 0.07 -0.03 -0.03 0.03 -0.01 -0.10 0.10 -0.03 -0.06 0.06 0.01 -0.06 0.10 -0.06 0.03 -0.04 0.05 0.03 -0.01 0.06 0.03 -0.12 0.03 -0.00 0.03 -0.07 0.01 0.05 -0.07 -0.04 0.04 -0.07 -0.00 -0.03 0.10 0.03 -0.02 0.09 -0.03 -0.06 0.13 -0.12 0.10 -0.11 -0.11 0.11 -0.08 -0.14 0.12 -0.11 0.01 -0.01 0.03 0.03 0.01 -0.01 0.05 -0.03 0.06 0.09 0.06 -0.08 0.03 0.08 -0.09 0.06 0.05 -0.07 0.07 -0.02 0.05 0.08 0.00 0.00 -0.03 -0.07 -0.01 0.13 -0.03 0.07 0.14 -0.13 0.02 0.04 -0.00 0.03 0.10 -0.04 0.16 -0.03 -0.02 -0.01 -0.04 -0.02 -0.07 -0.06 -0.08 -0.07 -0.02 0.00 -0.05 -0.05 0.02 0.00 -0.02 -0.01 -0.05 -0.06 -0.00 -0.10 0.07 -0.05 0.26 0.02 0.00 0.26 -0.10 0.00 -0.22 -0.11 0.24 -0.31 -0.10 0.03 0.07 -0.08 0.01 0.05 -0.07 0.07 0.07 0.02 -0.08 -0.01 -0.06 -0.12 -0.02 0.03 -0.06 -0.02 0.04 -0.10 -0.03 0.02 -0.01 0.01 0.06 -0.06 -0.05 -0.02 0.09 0.08 -0.02 0.10 0.12 0.00 0.06 0.07 0.05 -0.05 -0.03 0.07 -0.05 -0.04 0.03 -0.05 -0.04 -0.01 0.17 0.18 -0.03 0.16 0.08 -0.03 0.25 0.22 0.08 -0.07 -0.01 0.06 -0.09 -0.02 0.11 -0.08 -0.02 0.04 -0.02 -0.05 0.03 -0.03 -0.04 0.01 0.02 -0.02 -0.01 -0.07 -0.03 0.03 -0.08 -0.03 0.02 -0.06 -0.03 -0.04 0.15 -0.13 -0.04 0.07 -0.10 0.06 -0.03 0.02 -0.07 0.03 -0.20 0.01 -0.01 -0.01 -0.02 0.05 -0.12 -0.05 -0.05 0.04 -0.09 -0.05 -0.09 0.19 0.06 0.23 0.28 0.35 0.22 -0.04 -0.07 0.05 -0.02 -0.03 0.03 0.07 0.00 0.14 -0.04 -0.05 0.02 -0.05 -0.06 -0.00 -0.01 -0.07 -0.02 -0.12 -0.04 -0.15 -0.20 0.08 -0.19 0.08 0.03 -0.09 0.12 0.03 -0.05 0.03 0.02 -0.11 0.13 0.08 0.01 0.24 0.11 0.02 0.08 0.07 -0.01 0.05 -0.02 0.02 0.03 0.00 -0.01 0.04 -0.03 0.03 -0.03 -0.02 -0.14 -0.03 -0.05 -0.13 -0.02 0.00 -0.14 -0.01 -0.03 0.12 0.02 -0.00 0.09 -0.03 -0.04 0.08 0.00 0.04 -0.04 -0.03 0.03 -0.07 0.00 0.08 -0.04 0.03 -0.05 0.12 0.03 -0.04 0.08 0.03 -0.09 0.13 -0.02 0.04 -0.02 -0.05 0.01 0.03 -0.05 0.02 -0.08 -0.10 -0.04 0.10 -0.06 -0.03 0.11 -0.08 -0.05 0.11 -0.08 0.02 -0.07 -0.09 0.01 0.00 -0.03 0.05 -0.05 -0.14 0.02 -0.10 0.00 0.05 -0.03 0.09 0.14 0.01 0.01 0.12 0.10 0.03 0.11 0.04 0.02 0.13 -0.02 0.06 0.13 -0.06 -0.04 0.05 -0.09 -0.03 -0.00 -0.12 -0.03 0.10 -0.06 -0.00 0.05 -0.05 0.01 0.11 0.09 -0.01 0.04 0.12 0.05 0.09 0.03 0.10 0.08 0.03 -0.03 -0.05 -0.15 -0.04 0.00 -0.10 -0.04 -0.11 -0.11 -0.05 0.04 -0.01 -0.09 0.07 0.00 -0.07 0.00 0.02 -0.06 -0.10 0.04 -0.02 -0.12 0.09 -0.04 -0.02 -0.00 -0.02 -0.17 -0.04 -0.02 -0.17 0.01 0.03 -0.05 -0.02 -0.04 0.05 -0.01 -0.02 0.05 -0.02 -0.05 0.03 -0.03 -0.01 -0.12 0.18 -0.00 -0.13 0.09 -0.00 -0.08 0.18 0.15 0.05 0.07 0.07 -0.01 0.05 0.21 0.02 0.07 -0.09 -0.08 0.06 -0.09 -0.07 0.06 -0.07 -0.13 0.03 -0.04 0.02 0.01 0.03 0.02 0.03 -0.06 0.02 0.00 0.05 -0.15 -0.18 0.04 -0.08 -0.10 0.09 0.14 0.02 0.04 -0.33 -0.27 0.09 0.14 0.02 -0.03 -0.07 -0.12 -0.10 0.17 0.05 0.05 0.19 0.05 0.09 -0.10 0.13 0.15 0.11 0.13 -0.10 -0.10 0.03 -0.09 -0.10 0.02 0.01 -0.11 0.08 -0.04 -0.03 0.01 -0.04 0.24 -0.02 -0.04 0.19 0.00 0.11 0.16 0.10 0.20 0.05 0.13 -0.10 -0.03 0.03 -0.09 -0.08 -0.02 -0.06 0.05 0.01 -0.10 -0.06 -0.05 0.02 -0.03 -0.05 -0.01 0.00 -0.06 0.01 -0.11 0.00 -0.00 -0.07 0.01 0.01 -0.09 -0.01 0.04 0.19 -0.06 0.04 0.22 -0.07 0.02 0.08 -0.08 -0.16 -0.06 0.02 -0.15 -0.07 0.01 -0.15 -0.06 0.02 -0.01 -0.00 0.08 0.02 0.00 0.05 0.00 -0.02 0.05 -0.01 -0.11 -0.02 -0.01 -0.11 -0.01 -0.05 -0.14 0.01 0.13 0.12 -0.07 0.13 0.09 -0.06 0.09 0.16 -0.05 0.10 -0.05 0.03 0.06 -0.05 0.02 0.02 -0.06 0.01 0.08 -0.00 -0.08 0.08 -0.04 -0.05 -0.02 -0.09 -0.08 0.06 -0.11 -0.15 -0.04 -0.08 -0.06 0.10 0.02 0.13 -0.13 -0.00 0.02 -0.04 -0.01 -0.04 -0.12 -0.05 0.02 -0.12 -0.19 -0.02 -0.08 -0.17 -0.01 -0.02 -0.14 -0.07 -0.11 -0.10 0.01 -0.03 -0.12 -0.00 -0.10 0.03 -0.00 -0.10 0.04 -0.01 -0.01 -0.03 -0.07 -0.02 0.02 -0.09 0.04 -0.06 -0.14 0.05 -0.05 -0.12 0.12 -0.06 -0.08 0.03 0.02 -0.06 0.17 0.10 -0.04 0.05 0.03 -0.05 -0.13 0.03 -0.07 -0.15 0.04 -0.09 -0.14 -0.01 -0.05 0.26 -0.09 0.02 0.26 -0.07 -0.02 0.22 -0.05 0.05 -0.11 -0.06 0.07 -0.08 -0.03 0.05 -0.12 -0.07 0.03 -0.13 0.08 -0.02 -0.07 0.10 0.01 -0.17 0.01 0.02 0.05 0.11 0.07 -0.01 0.07 -0.00 0.13 0.06 0.07 0.08 -0.00 -0.01 0.09 0.04 -0.03 0.14 -0.04 -0.01 0.07 0.03 0.02 0.06 0.09 0.04 0.03 -0.01 0.05 0.02 0.14 0.05 0.03 0.10 0.01 0.10 0.03 0.13 0.04 0.14 0.06 0.09 0.02 0.13 0.09 -0.00 0.05 0.05 -0.03 -0.02 0.11 -0.05 -0.01 0.06 -0.03 0.04 0.07 -0.01 0.03 0.09 -0.13 -0.01 0.10 -0.07 0.00 0.05 -0.08 0.01 0.09 -0.11 -0.03 0.05 -0.01 0.03 -0.01 -0.02 0.05 0.15 -0.08 -0.02 0.20 -0.08 -0.02 0.11 0.10 0.08 0.09 0.10 0.07 0.13 0.11 0.10 -0.02 0.13 0.02 -0.01 0.09 0.00 -0.06 0.15 -0.01 -0.09 -0.08 0.03 -0.07 -0.10 0.06 -0.06 -0.09 0.01 0.10 0.12 0.07 0.09 0.03 0.06 0.10 0.08 0.06 -0.01 -0.06 -0.07 -0.05 -0.05 -0.03 0.03 -0.07 -0.06 -0.10 -0.08 0.07 -0.15 -0.09 0.05 -0.09 -0.03 0.07 0.05 0.05 -0.08 0.00 0.01 -0.06 0.11 0.10 -0.12 -0.13 0.20 -0.06 -0.10 0.17 -0.10 -0.09 0.19 -0.04 -0.17 -0.03 -0.15 -0.13 -0.01 -0.13 -0.13 -0.04 -0.13 -0.19 -0.11 0.00 -0.17 -0.08 -0.07 0.08 0.01 0.03 -0.12 -0.11 0.04 0.10 0.00 0.03 -0.15 0.11 0.00 0.06 -0.04 -0.03 0.10 -0.04 -0.03 -0.00 0.18 0.09 0.01 0.29 0.11 0.04 -0.14 -0.05 0.05 -0.12 -0.05 -0.01 0.07 0.05 0.05 -0.13 -0.06 0.07 -0.01 0.04 0.01 0.04 0.04 0.12 -0.06 -0.09 0.15 -0.01 -0.12 0.03 -0.06 0.00 0.00 -0.01 0.04 -0.00 -0.10 0.01 -0.13 0.08 0.12 -0.18 0.11 0.13 -0.08 0.07 0.16 -0.03 0.01 -0.09 -0.04 0.04 -0.07 0.01 -0.03 -0.10 -0.08 -0.06 -0.07 -0.09 -0.04 -0.12 -0.13 0.00 -0.03 -0.01 -0.11 -0.11 -0.06 -0.05 -0.04 0.01 -0.11 -0.11 -0.01 0.06 0.02 0.04 0.07 0.04 -0.03 0.01 0.04 -0.07 -0.02 -0.09 -0.08 -0.04 -0.08 -0.05 -0.02 -0.10 0.02 0.03 0.23 0.07 -0.06 0.16 0.02 -0.00 0.17 0.14 -0.10 -0.05 0.10 -0.08 -0.06 0.11 -0.10 -0.05 0.07 0.08 0.07 0.08 0.01 0.00 -0.15 0.11 -0.04 0.10 0.10 0.10 -0.13 0.12 0.01 -0.13 -0.01 0.23 0.11 0.01 -0.11 0.07 0.05 -0.01 0.09 0.14 0.05 0.17 0.26 0.00 -0.05 0.04 -0.10 -0.04 0.03 -0.11 -0.02 0.12 -0.02 -0.04 0.03 -0.08 0.13 0.04 -0.11 0.08 0.03 -0.09 0.06 0.07 0.05 0.13 -0.05 0.09 -0.08 0.11 -0.04 -0.05 0.09 -0.04 -0.01 0.11 0.01 0.13 -0.02 -0.09 0.07 -0.02 -0.09 0.11 -0.04 -0.08 -0.09 0.01 -0.06 -0.09 0.02 -0.05 -0.09 0.03 -0.07 0.05 0.03 0.14 0.05 0.06 0.08 -0.02 0.02 0.15 0.10 -0.04 -0.08 0.13 -0.01 -0.09 0.07 -0.05 -0.11 -0.08 -0.02 -0.05 -0.07 -0.01 -0.05 -0.11 -0.03 -0.02 -0.10 -0.07 0.14 -0.11 -0.06 0.08 -0.00 -0.04 0.09 0.08 -0.10 -0.07 0.07 -0.10 -0.05 0.06 -0.06 -0.04 -0.03 -0.17 0.06 -0.06 -0.16 0.05 0.01 -0.16 0.05 -0.06 -0.01 -0.04 -0.07 -0.06 0.01 -0.14 0.01 0.23 -0.12 -0.02 -0.07 -0.08 0.02 0.15 0.02 0.01 -0.09 -0.05 -0.06 0.00 0.05 -0.14 -0.02 0.12 0.07 -0.16 0.12 0.09 -0.15 0.15 0.02 -0.16 0.08 -0.06 -0.09 0.13 0.05 -0.16 0.10 -0.05 -0.13 -0.08 -0.08 0.03 -0.08 -0.07 0.02 0.11 -0.18 -0.04 0.15 -0.18 -0.04 -0.06 -0.12 0.08 -0.09 -0.14 0.03 -0.03 -0.07 0.07 -0.13 -0.13 0.03 -0.14 -0.16 0.02 -0.05 -0.07 0.01 -0.10 0.10 -0.01 -0.08 0.08 0.02 -0.05 0.08 -0.02 0.03 0.12 -0.05 0.03 0.14 -0.04 0.04 0.10 -0.06 -0.04 0.07 0.04 -0.04 0.05 0.03 0.01 0.01 -0.02 -0.06 -0.01 -0.00 -0.03 -0.01 -0.02 -0.07 -0.03 0.01 -0.02 0.07 0.24 -0.05 0.06 0.15 0.02 -0.01 0.26 0.07 0.09 -0.03 0.05 0.07 0.01 0.03 0.11 -0.03 -0.02 -0.02 0.16 -0.03 0.02 0.17 -0.04 -0.03 0.16 0.01 0.00 -0.03 -0.01 -0.00 0.05 -0.02 0.04 0.04 -0.05 -0.03 -0.08 0.08 0.04 -0.14 -0.14 -0.02 0.16 -0.09 0.05 0.16 -0.03 -0.00 0.02 -0.06 0.07 -0.00 -0.11 -0.00 0.02 0.04 -0.01 0.02 0.05 -0.03 0.00 -0.00 0.08 0.03 0.03 -0.03 0.03 -0.10 0.01 0.13 -0.01 0.00 0.10 -0.01 -0.03 -0.05 -0.05 0.08 -0.09 0.09 -0.01 -0.03 0.04 -0.02 -0.06 0.13 -0.01 -0.00 -0.10 0.04 -0.12 -0.07 0.05 -0.11 -0.07 0.05 -0.11 0.15 0.13 -0.09 0.19 0.08 -0.04 0.18 0.10 -0.10 0.17 -0.01 0.01 0.16 -0.04 -0.10 0.05 -0.01 0.05 -0.13 0.03 -0.03 -0.11 0.02 -0.05 -0.11 0.01 -0.04 0.31 -0.02 0.07 0.21 -0.03 0.04 0.32 0.06 0.06 -0.11 -0.09 0.02 -0.02 0.00 -0.02 -0.11 -0.05 0.00 -0.03 0.06 -0.08 -0.03 0.09 -0.09 0.02 0.04 -0.07 -0.06 -0.03 0.03 -0.11 -0.04 0.01 -0.10 -0.02 0.01 -0.01 -0.13 -0.03 -0.02 -0.14 0.02 -0.12 -0.04 0.13 -0.06 -0.10 -0.04 -0.15 -0.02 0.11 -0.08 -0.01 0.07 -0.03 -0.02 -0.13 -0.07 -0.03 -0.03 0.04 0.07 0.01 0.04 0.11 0.02 0.11 0.19 0.06 0.10 0.12 0.06 0.05 0.13 0.03 0.08 0.12 0.10 -0.07 -0.04 -0.02 -0.15 -0.01 -0.01 -0.09 -0.02 -0.01 -0.22 0.05 -0.03 0.14 -0.06 -0.01 0.06 -0.06 -0.05 0.13 -0.06 -0.01 -0.14 0.01 -0.09 -0.16 0.03 -0.08 -0.07 0.02 -0.06 0.04 -0.21 0.25 -0.00 -0.10 0.25 0.03 -0.10 0.21 0.16 -0.05 -0.04 0.15 -0.04 -0.14 0.06 -0.03 -0.01 -0.01 0.10 -0.14 -0.07 0.04 -0.10 0.05 0.13 -0.04 -0.20 0.02 -0.01 -0.14 0.03 -0.02 -0.11 -0.00 -0.14 -0.01 -0.12 -0.05 -0.01 -0.15 0.08 -0.07 -0.04 -0.08 0.06 0.03 -0.00 0.07 0.03 -0.02 0.09 0.01 -0.01 0.06 -0.01 0.01 0.05 -0.10 -0.03 0.05 0.05 -0.07 0.01 0.08 -0.01 0.00 0.06 -0.01 -0.06 -0.02 0.04 0.00 0.02 -0.04 -0.08 -0.01 0.06 -0.08 0.02 0.10 -0.14 0.03 0.08 0.03 -0.07 -0.01 0.05 0.11 0.02 0.09 0.21 0.01 0.04 -0.09 -0.10 0.03 -0.04 -0.07 0.01 0.04 -0.03 0.02 -0.09 -0.12 -0.14 0.00 0.01 -0.08 -0.03 0.00 0.12 -0.13 -0.01 0.22 -0.19 0.01 -0.01 0.06 0.05 0.00 0.04 0.03 0.01 0.07 0.06 0.11 -0.04 -0.03 0.16 -0.03 -0.03 0.05 -0.05 -0.04 0.01 -0.16 -0.08 -0.01 -0.11 -0.06 0.04 -0.18 -0.09 -0.06 0.01 0.08 -0.06 0.01 0.05 -0.09 0.02 0.09 -0.04 0.13 0.19 0.02 0.09 0.11 -0.03 0.09 0.13 -0.04 -0.00 0.00 -0.02 -0.00 0.00 -0.05 -0.02 0.01 -0.01 -0.10 -0.18 -0.04 -0.12 -0.20 -0.03 -0.18 -0.14 -0.03 -0.09 -0.07 -0.07 0.02 -0.03 -0.02 -0.07 -0.02 0.00 0.25 0.04 0.00 0.19 0.01 -0.00 0.25 0.03 0.08 0.04 -0.02 0.07 0.13 0.02 -0.07 0.01 -0.00 0.08 -0.02 -0.04 -0.09 0.02 0.05 -0.05 -0.01 0.07 0.10 -0.02 0.01 -0.00 0.02 0.01 0.02 0.06 -0.03 0.06 0.09 -0.06 -0.07 0.06 -0.07 -0.08 -0.03 -0.09 -0.03 0.08 -0.05 -0.05 0.05 -0.03 0.11 -0.03 -0.03 0.13 -0.04 -0.03 -0.06 0.06 0.02 -0.06 0.03 0.04 -0.17 -0.21 -0.12 -0.09 -0.17 -0.04 -0.07 -0.20 -0.06 0.04 -0.11 0.27 0.11 -0.17 0.24 0.03 -0.04 0.19 0.04 -0.05 -0.01 0.03 -0.04 -0.03 0.04 -0.05 0.00 0.23 -0.00 -0.05 0.22 0.06 -0.11 0.13 -0.00 -0.02 0.11 -0.01 0.13 0.10 -0.00 0.14 0.08 -0.02 0.11 0.03 -0.00 -0.03 -0.03 -0.02 -0.04 0.01 0.05 0.00 -0.05 -0.04 -0.13 -0.02 -0.02 -0.10 -0.06 -0.01 -0.14 -0.03 0.21 0.04 -0.01 0.22 0.00 0.04 0.16 0.04 -0.08 0.08 -0.04 -0.08 0.06 -0.04 -0.03 0.06 -0.01 -0.08 -0.02 -0.02 -0.08 0.02 -0.01 -0.04 -0.01 0.03 -0.07 0.00 -0.00 -0.05 -0.01 0.05 0.00 -0.01 0.02 -0.20 0.01 0.07 -0.01 -0.01 -0.04 0.05 0.07 -0.14 0.02 -0.01 -0.14 0.02 0.01 -0.08 -0.02 -0.08 -0.05 0.08 0.09 -0.12 0.01 -0.03 -0.04 -0.14 0.06 -0.03 -0.08 0.04 -0.05 0.04 -0.04 -0.03 0.05 -0.04 -0.04 -0.09 0.02 -0.04 -0.05 0.00 -0.03 -0.05 0.04 -0.02 0.10 0.06 0.01 0.36 0.19 0.05 0.09 0.04 0.02 0.12 0.03 0.25 0.11 0.03 0.24 0.16 -0.02 0.25 -0.04 0.01 0.04 -0.03 0.04 0.05 -0.03 -0.01 0.03 -0.11 -0.16 0.09 -0.09 -0.12 0.08 -0.12 -0.16 0.09 0.04 0.02 0.00 -0.00 0.01 -0.01 0.12 0.07 -0.10 -0.04 0.08 -0.05 0.00 0.10 0.09 -0.12 0.20 -0.09 0.06 -0.04 0.05 0.08 -0.07 0.02 0.04 -0.03 0.04 0.04 -0.11 -0.09 0.01 -0.04 -0.07 0.01 -0.16 -0.05 -0.06 -0.01 0.00 -0.05 -0.06 -0.06 -0.02 0.02 -0.01 -0.04 0.04 0.04 0.04 0.01 -0.04 0.05 0.03 -0.06 -0.15 0.10 0.06 -0.12 0.09 0.03 0.04 0.06 -0.06 0.03 0.06 -0.06 0.05 0.07 0.03 0.01 0.07 0.06 0.05 0.07 -0.06 0.03 0.04 0.02 -0.16 0.06 0.02 -0.11 0.03 0.02 -0.10 0.08 0.06 -0.11 0.04 0.08 0.13 -0.03 0.16 0.10 -0.06 0.10 0.09 0.00 0.11 0.08 -0.03 0.08 0.19 0.05 0.10 0.12 -0.03 0.11 -0.08 0.04 -0.20 -0.06 0.02 -0.17 -0.08 0.05 -0.21 0.05 -0.01 -0.01 0.05 0.00 -0.04 0.04 -0.01 -0.00 -0.02 0.04 0.01 -0.01 0.04 -0.01 -0.03 0.03 -0.01 -0.05 -0.00 0.04 -0.10 -0.01 0.02 -0.10 0.04 0.12 0.01 -0.03 -0.13 -0.00 -0.05 -0.17 0.06 -0.04 -0.15 0.21 -0.09 0.12 0.21 -0.11 0.13 0.17 -0.07 0.10 -0.02 -0.08 -0.01 -0.02 -0.09 -0.00 0.00 -0.08 -0.01 -0.19 -0.10 -0.04 -0.19 -0.10 -0.03 0.05 0.03 -0.08 -0.19 -0.11 -0.04 0.04 0.03 -0.06 0.02 0.03 -0.02 0.11 -0.04 0.00 0.10 -0.05 -0.01 -0.07 -0.07 0.11 -0.07 -0.07 0.11 -0.03 -0.03 -0.00 0.01 -0.01 -0.03 -0.06 -0.09 0.11 -0.02 -0.00 -0.01 0.10 -0.05 0.03 0.08 -0.03 0.03 0.11 -0.06 -0.06 0.12 -0.01 -0.08 -0.07 0.05 -0.13 -0.07 0.09 -0.09 -0.06 0.01 -0.10 -0.13 0.01 -0.07 -0.45 -0.02 -0.05 0.00 -0.02 0.04 0.04 0.02 0.08 0.05 -0.00 0.06 0.04 -0.01 0.09 0.01 0.05 0.01 0.02 0.20 0.04 0.01 0.02 -0.00 0.02 0.10 0.05 0.07 0.05 0.00 0.03 0.08 0.02 0.02 0.01 -0.05 -0.09 -0.01 -0.08 0.06 0.11 -0.08 -0.01 0.05 -0.10 0.02 0.05 -0.02 -0.08 0.09 -0.10 0.23 -0.11 0.10 0.21 -0.08 0.14 0.19 -0.08 0.11 -0.06 0.07 0.07 -0.05 0.04 0.07 -0.02 0.09 0.06 -0.18 -0.08 -0.04 -0.20 -0.01 0.02 0.04 0.02 -0.06 -0.21 -0.03 -0.03 -0.01 0.01 0.03 -0.00 0.02 0.01 -0.01 0.03 -0.04 0.03 -0.01 -0.01 -0.05 -0.07 0.09 -0.07 -0.09 0.11 0.05 0.05 0.02 0.02 -0.01 0.05 -0.02 -0.06 0.12 0.02 0.03 0.02 -0.04 -0.00 0.02 -0.07 0.02 0.02 0.07 -0.05 -0.03 0.05 -0.00 -0.05 -0.15 -0.12 0.03 -0.13 -0.20 -0.03 -0.09 -0.03 0.01 0.09 0.06 -0.02 0.74 0.39 0.08 0.07 0.04 -0.00 -0.00 0.02 -0.01 0.00 0.01 0.00 -0.01 0.04 -0.02 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 0.02 0.09 -0.13 -0.07 0.12 -0.06 0.05 0.10 -0.10 -0.01 0.00 0.01 -0.01 0.00 0.01 0.01 -0.00 -0.02 0.01 -0.01 0.01 0.02 -0.01 0.01 0.02 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.02 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.04 -0.01 0.01 0.03 -0.03 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.03 -0.01 -0.03 0.00 0.05 0.04 -0.01 -0.10 0.18 -0.10 0.01 0.05 0.06 0.10 0.02 0.12 -0.08 0.00 0.11 -0.06 -0.01 -0.09 0.02 -0.00 -0.07 0.02 0.04 0.06 -0.09 0.04 -0.03 -0.00 0.16 -0.08 0.11 0.08 0.00 0.11 -0.04 0.11 0.03 -0.04 0.17 0.01 -0.05 -0.04 0.11 -0.10 -0.13 -0.01 0.03 0.06 0.10 -0.06 0.09 -0.12 0.50 0.43 -0.01 -0.03 0.04 -0.06 0.01 0.00 0.02 -0.01 0.01 -0.01 0.01 -0.04 0.03 0.09 -0.00 0.04 0.09 -0.02 0.02 0.10 -0.02 0.04 -0.07 -0.03 0.05 -0.12 -0.03 0.10 -0.02 -0.05 0.05 -0.05 -0.00 -0.13 -0.04 0.01 -0.11 -0.00 -0.02 -0.19 -0.05 -0.03 -0.03 -0.03 -0.01 -0.02 -0.13 -0.07 0.02 -0.05 -0.07 0.01 -0.06 -0.02 0.01 -0.01 -0.10 0.02 0.01 0.05 0.06 -0.02 0.05 0.05 -0.03 0.04 0.06 0.01 -0.05 0.00 0.01 -0.00 0.03 0.03 0.00 -0.08 -0.00 0.03 0.03 0.06 -0.01 -0.11 -0.08 -0.03 0.16 -0.00 -0.03 0.09 0.06 0.18 0.14 0.04 -0.06 -0.03 0.06 -0.07 -0.05 0.02 -0.00 -0.01 0.03 -0.02 -0.02 0.02 -0.03 -0.03 0.07 0.04 -0.01 -0.06 -0.06 0.23 -0.09 0.05 0.21 0.06 0.15 -0.00 0.07 0.30 -0.06 0.05 -0.03 -0.04 0.04 -0.00 -0.01 -0.02 -0.07 -0.06 0.02 -0.04 0.00 0.04 -0.09 -0.03 0.05 0.02 -0.05 -0.00 -0.04 -0.02 -0.02 -0.04 -0.06 -0.03 -0.03 -0.00 -0.17 -0.04 -0.05 -0.18 -0.09 -0.07 -0.20 -0.01 -0.05 -0.02 0.01 0.02 -0.01 -0.01 0.01 -0.01 0.01 0.02 -0.06 0.01 -0.22 -0.06 0.02 -0.18 0.08 -0.01 -0.40 0.08 0.07 0.05 0.03 0.04 0.02 0.21 0.11 -0.02 0.08 0.13 -0.02 0.08 0.06 -0.02 0.03 0.16 -0.05 0.05 0.01 -0.04 0.05 0.03 -0.03 0.02 -0.01 -0.04 -0.02 -0.10 0.00 -0.02 -0.04 -0.04 -0.10 -0.01 0.13 0.02 0.07 0.11 -0.05 -0.01 0.10 -0.06 -0.04 0.12 0.11 -0.03 -0.05 -0.04 -0.13 -0.06 0.05 -0.02 -0.06 0.06 -0.04 -0.08 0.01 -0.02 0.00 -0.01 -0.02 0.02 0.03 0.01 -0.06 -0.01 -0.04 -0.00 0.16 0.01 -0.14 0.17 -0.06 -0.13 -0.11 -0.06 0.04 -0.13 -0.18 0.08 0.00 -0.07 0.08 -0.06 -0.12 -0.01 -0.01 -0.02 0.04 -0.07 0.04 -0.14 0.38 0.28 -0.07 0.05 0.08 -0.12 -0.01 -0.04 -0.03 -0.00 -0.05 -0.01 -0.01 -0.04 -0.03 -0.13 -0.09 -0.05 -0.14 -0.20 -0.10 -0.16 -0.05 -0.04 -0.04 -0.01 0.07 -0.05 -0.03 0.07 -0.01 -0.04 0.05 0.06 -0.01 0.12 0.01 -0.03 0.09 -0.04 0.05 0.27 0.07 0.07 -0.00 0.02 0.03 -0.03 0.17 0.08 -0.04 0.14 0.13 0.01 0.14 0.05 0.03 0.09 0.15 -0.05 -0.04 0.06 0.01 -0.00 0.07 0.03 -0.02 0.04 0.04 -0.05 0.05 -0.01 -0.05 0.06 -0.01 -0.08 -0.00 0.08 -0.05 -0.01 -0.04 -0.01 -0.01 0.06 -0.11 -0.10 -0.04 -0.00 0.03 -0.03 -0.04 0.05 0.01 0.01 0.03 -0.02 0.04 0.16 -0.01 -0.02 -0.10 0.00 0.02 -0.03 -0.03 -0.02 -0.02 -0.06 0.02 -0.04 -0.02 -0.04 -0.01 0.00 -0.01 -0.00 -0.01 -0.04 0.05 0.02 -0.00 0.01 0.04 0.04 -0.03 0.01 0.03 -0.04 -0.01 0.04 -0.01 -0.01 -0.00 0.01 0.08 0.14 0.15 0.13 -0.00 -0.03 0.14 -0.10 -0.18 0.03 -0.08 -0.23 0.08 -0.10 -0.09 -0.01 0.06 0.11 -0.01 0.07 0.25 -0.06 -0.01 0.03 -0.01 0.02 0.05 -0.10 -0.04 0.05 -0.06 0.04 0.06 -0.07 0.19 -0.04 -0.01 0.12 -0.06 -0.02 0.36 0.05 -0.23 0.03 0.14 0.12 -0.06 0.08 0.11 0.16 0.16 0.06 0.04 -0.15 0.04 0.04 -0.08 0.04 0.05 -0.14 0.08 -0.08 0.08 -0.10 -0.01 0.09 -0.08 -0.02 0.08 -0.07 -0.02 0.10 -0.01 -0.01 0.10 -0.06 -0.17 -0.05 0.07 -0.00 0.19 0.04 -0.03 -0.07 -0.08 -0.04 0.01 0.09 0.03 -0.01 -0.05 -0.03 -0.02 -0.00 0.05 -0.04 -0.06 0.03 -0.01 -0.03 0.07 -0.07 0.04 0.11 -0.09 -0.01 0.08 -0.01 -0.03 0.12 -0.04 0.07 0.03 -0.00 -0.03 0.00 -0.01 -0.02 -0.07 0.01 0.03 -0.21 0.06 0.03 0.08 -0.11 -0.17 0.07 -0.08 -0.14 0.02 -0.14 -0.20 -0.04 0.02 0.05 0.23 0.20 0.10 -0.05 -0.02 0.10 0.09 0.09 -0.03 0.08 0.12 -0.04 0.09 0.04 -0.01 -0.07 0.22 0.02 -0.05 0.48 0.09 -0.08 0.17 0.00 -0.02 -0.01 -0.01 -0.08 -0.00 0.04 0.02 -0.01 0.01 -0.11 0.02 0.05 -0.08 0.03 0.05 -0.22 -0.02 0.20 0.06 -0.03 -0.01 0.07 -0.02 -0.05 0.10 -0.02 -0.03 -0.05 -0.12 -0.00 -0.06 -0.06 0.01 -0.05 -0.10 0.05 0.01 0.03 0.00 0.02 0.02 -0.00 -0.00 0.03 -0.01 0.01 -0.05 0.01 0.01 -0.01 0.00 -0.02 -0.02 0.07 0.04 -0.13 -0.02 -0.06 0.02 0.02 0.10 0.27 0.09 -0.00 -0.02 0.03 0.01 0.06 0.01 0.07 -0.18 -0.03 0.12 -0.13 -0.06 0.07 0.04 -0.05 0.05 -0.02 -0.03 0.02 -0.09 -0.03 0.08 0.03 -0.03 -0.01 -0.05 0.01 0.03 -0.05 0.00 -0.02 0.08 0.02 -0.03 0.07 0.02 0.05 -0.06 -0.04 0.03 -0.05 -0.04 0.03 -0.07 -0.06 -0.03 0.02 -0.03 0.11 0.09 -0.00 -0.02 0.01 -0.01 -0.17 -0.06 0.03 -0.13 -0.13 0.07 -0.14 -0.05 0.00 -0.04 0.06 0.01 -0.04 0.09 0.07 0.01 0.16 0.02 -0.02 -0.03 0.05 -0.01 -0.02 0.05 -0.01 -0.06 0.02 0.15 -0.07 -0.03 0.16 -0.08 -0.03 0.26 -0.06 -0.18 -0.13 -0.04 -0.12 -0.11 -0.05 -0.05 -0.23 -0.05 -0.08 -0.03 -0.01 -0.01 -0.04 -0.05 0.02 -0.07 0.00 -0.03 -0.05 -0.10 0.10 -0.07 -0.11 0.10 -0.03 -0.09 0.10 0.03 0.15 -0.01 0.02 0.02 0.07 0.16 0.22 -0.03 -0.09 0.18 -0.05 0.02 0.25 0.11 -0.16 0.08 -0.00 0.03 -0.05 0.11 0.06 -0.11 0.00 0.01 -0.18 0.05 0.07 0.04 0.06 0.01 0.27 -0.07 -0.09 0.16 0.02 -0.05 -0.02 0.07 -0.10 0.14 -0.03 0.10 0.04 0.02 0.11 0.03 0.02 0.05 -0.09 -0.04 0.08 -0.06 -0.05 0.02 0.04 0.09 -0.00 -0.02 0.02 0.03 0.10 0.06 -0.06 0.05 -0.00 0.06 0.18 0.04 -0.08 0.00 0.05 -0.02 -0.05 -0.09 -0.04 -0.02 -0.13 -0.08 -0.00 -0.06 0.13 0.04 -0.09 0.12 0.12 -0.21 0.01 0.06 -0.04 -0.09 -0.08 0.21 -0.04 -0.07 0.17 -0.10 -0.12 0.16 -0.02 0.03 -0.05 -0.03 0.03 -0.04 -0.09 0.03 0.06 0.06 0.02 0.09 0.01 0.01 0.01 0.13 -0.05 0.10 -0.08 -0.14 0.02 -0.05 -0.09 -0.05 -0.01 -0.18 0.05 0.08 -0.01 -0.16 0.08 0.09 -0.12 0.02 -0.09 -0.09 -0.02 -0.05 -0.00 0.00 -0.03 -0.13 -0.12 0.02 0.04 0.08 0.08 0.12 -0.21 0.06 0.05 0.03 0.02 0.00 0.07 0.07 -0.05 -0.07 -0.15 0.01 0.01 -0.00 -0.01 0.05 0.03 -0.05 -0.05 -0.05 -0.00 -0.01 0.04 -0.04 -0.04 -0.02 -0.05 -0.07 -0.06 -0.01 0.08 0.13 -0.00 0.03 0.17 0.00 -0.08 -0.13 0.01 -0.08 -0.13 0.01 0.07 0.03 -0.03 0.05 0.01 -0.06 0.05 0.03 -0.05 0.02 -0.11 0.02 0.35 -0.07 0.01 -0.03 -0.06 -0.07 -0.07 -0.09 0.03 -0.06 -0.08 0.07 -0.05 -0.04 -0.01 -0.02 0.02 0.02 -0.02 0.00 0.05 0.01 0.01 0.01 -0.02 0.10 -0.05 -0.08 0.07 -0.00 0.05 0.08 -0.04 0.07 0.13 -0.03 -0.06 0.11 -0.06 0.24 0.27 -0.24 -0.05 0.06 -0.01 -0.07 0.03 0.05 -0.05 0.10 -0.03 -0.14 0.04 -0.00 -0.14 0.07 -0.04 -0.09 0.01 0.01 0.30 -0.02 0.11 0.12 -0.04 0.05 0.08 -0.01 0.02 -0.15 -0.13 -0.03 -0.18 -0.16 0.01 0.01 0.04 0.01 -0.19 -0.06 -0.01 0.05 0.03 -0.00 -0.06 0.20 0.06 0.03 0.02 -0.08 -0.05 -0.03 0.01 0.10 -0.16 -0.11 0.18 0.06 -0.13 -0.13 -0.13 -0.02 -0.08 0.02 -0.05 0.00 -0.06 -0.15 -0.12 -0.08 -0.07 0.02 0.05 0.02 -0.06 0.09 0.03 -0.04 -0.03 0.00 0.13 -0.14 0.03 -0.01 0.13 0.10 -0.03 0.11 0.08 0.04 0.14 0.14 -0.03 -0.02 0.16 0.21 0.06 0.18 0.02 0.02 0.16 0.11 0.04 0.06 0.10 0.08 0.06 0.14 -0.00 0.06 0.06 -0.10 -0.09 0.04 -0.26 -0.24 -0.01 0.03 -0.03 0.00 0.02 -0.15 -0.10 0.04 -0.05 0.04 0.05 -0.09 -0.06 0.05 -0.00 -0.05 0.06 0.01 -0.00 0.02 -0.09 -0.03 -0.02 0.02 0.00 0.01 0.04 -0.10 -0.03 0.05 0.09 -0.06 -0.08 0.04 -0.01 -0.00 0.05 -0.03 -0.07 -0.09 0.07 0.02 -0.05 0.04 0.01 -0.03 0.10 0.01 0.06 -0.07 0.02 0.06 0.02 0.04 -0.01 0.15 0.02 0.08 -0.15 -0.01 -0.11 0.19 0.04 0.07 -0.07 -0.00 0.05 -0.01 -0.01 0.03 -0.06 0.02 -0.04 0.08 0.04 -0.03 -0.01 0.01 -0.04 0.10 0.01 -0.02 0.12 -0.01 -0.05 0.06 0.03 -0.07 0.05 0.04 0.06 0.03 0.03 0.01 0.06 0.04 0.04 -0.07 -0.02 -0.02 0.04 -0.06 0.08 0.08 -0.08 0.03 0.08 -0.11 0.04 0.06 -0.10 -0.12 -0.09 0.13 0.72 0.23 0.20 -0.02 -0.00 0.11 -0.04 0.01 -0.01 -0.03 -0.01 -0.02 -0.05 0.02 -0.01 -0.05 -0.01 0.03 -0.05 -0.07 0.09 0.01 -0.05 0.00 -0.07 0.00 0.01 -0.20 -0.01 0.12 0.02 -0.00 0.06 0.00 -0.03 -0.03 0.05 -0.02 -0.00 0.05 -0.08 -0.10 -0.01 -0.03 -0.02 0.00 -0.02 -0.02 -0.03 -0.04 -0.01 0.07 -0.01 -0.08 0.05 -0.02 -0.04 0.01 0.06 -0.06 -0.08 -0.04 -0.02 -0.04 -0.03 -0.01 -0.03 -0.04 -0.00 0.06 0.03 0.01 0.06 0.02 0.01 0.06 -0.06 -0.02 0.05 0.04 0.01 0.08 -0.08 0.01 0.08 0.04 -0.01 0.01 0.06 0.03 -0.06 -0.12 0.05 -0.00 0.03 0.00 -0.03 -0.06 0.00 0.05 -0.01 0.01 0.03 -0.07 0.02 0.03 0.01 0.02 0.04 -0.05 0.04 0.06 0.14 0.04 0.01 0.17 0.05 -0.08 -0.11 0.02 -0.24 0.04 -0.02 -0.02 -0.10 -0.02 0.01 -0.03 0.07 -0.06 -0.16 -0.00 0.05 0.11 0.02 -0.45 -0.08 -0.03 0.03 0.07 0.05 -0.03 -0.04 -0.01 -0.04 -0.03 0.01 -0.03 -0.01 -0.02 -0.05 -0.01 0.05 -0.04 0.07 0.15 0.02 0.01 0.04 -0.02 0.01 0.01 0.04 0.01 -0.04 -0.03 -0.01 -0.02 -0.00 0.04 -0.05 -0.00 0.05 -0.05 0.11 0.05 -0.21 -0.10 -0.08 0.09 -0.07 -0.05 0.05 -0.28 -0.29 0.26 0.10 0.01 -0.04 0.10 0.01 -0.04 0.08 0.04 -0.02 -0.05 0.05 -0.14 -0.01 0.10 -0.12 -0.01 0.01 -0.09 0.04 -0.06 0.01 0.06 0.02 -0.08 0.10 0.03 -0.02 0.13 0.07 0.12 0.06 0.03 0.00 -0.04 -0.07 0.02 -0.02 0.03 0.03 -0.03 -0.10 0.05 0.00 0.02 -0.01 0.00 -0.03 -0.02 -0.03 0.04 0.01 -0.06 -0.00 0.03 0.00 0.03 -0.00 -0.06 -0.01 0.05 0.04 0.13 0.05 -0.01 0.17 0.06 -0.02 -0.11 -0.00 -0.12 0.04 -0.05 -0.02 -0.06 0.04 0.02 -0.05 0.08 -0.03 -0.06 0.03 0.05 0.09 0.02 -0.38 -0.06 -0.01 0.00 0.04 0.05 -0.03 -0.01 -0.00 -0.03 -0.02 0.00 -0.04 0.01 -0.01 0.02 0.03 -0.05 0.02 0.06 -0.08 -0.02 0.01 -0.05 0.00 -0.05 -0.02 0.04 0.00 -0.04 -0.05 -0.04 -0.04 -0.01 0.02 -0.06 0.03 0.03 -0.01 0.12 -0.05 -0.26 0.08 0.09 -0.13 0.04 0.04 -0.07 0.29 0.34 -0.33 -0.02 -0.04 -0.05 -0.05 -0.03 0.02 -0.05 -0.03 -0.06 -0.10 -0.07 0.17 -0.08 -0.12 0.16 -0.06 -0.03 0.14 0.09 -0.00 0.02 0.07 -0.04 0.15 -0.08 -0.03 0.03 -0.01 -0.16 -0.11 0.01 -0.05 0.00 -0.02 0.04 -0.01 -0.03 0.04 0.03 -0.03 -0.08 0.04 0.02 -0.03 -0.03 0.07 0.15 -0.03 -0.07 0.02 0.01 -0.05 0.05 -0.02 -0.04 0.02 -0.06 -0.09 -0.01 0.03 0.01 0.11 0.05 -0.03 0.14 0.06 -0.00 -0.09 -0.01 -0.05 0.01 -0.04 0.07 0.02 -0.03 0.06 -0.07 -0.13 0.08 0.10 -0.08 0.08 -0.22 -0.20 0.36 -0.14 -0.20 0.09 -0.18 -0.27 0.01 0.01 0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.02 0.06 0.03 0.03 0.14 0.02 0.00 0.04 0.03 0.02 -0.04 -0.05 0.04 -0.11 -0.09 0.00 -0.01 -0.01 -0.03 -0.00 -0.04 0.02 0.01 -0.01 0.06 -0.06 -0.18 -0.00 -0.01 0.01 0.01 -0.00 0.01 -0.04 -0.04 0.04 -0.05 0.09 0.33 0.02 -0.02 0.23 0.01 -0.01 0.23 -0.18 0.04 -0.04 -0.07 0.03 -0.02 -0.08 0.06 -0.03 0.09 -0.01 0.02 0.11 0.06 0.00 -0.00 0.01 -0.01 0.13 -0.01 0.04 -0.05 0.03 -0.03 -0.05 0.00 -0.05 0.03 0.08 -0.02 -0.10 -0.03 -0.01 -0.03 -0.02 0.09 -0.15 -0.25 0.14 0.27 -0.11 -0.11 0.24 -0.11 -0.03 0.09 -0.12 0.15 0.27 -0.09 -0.16 0.00 0.06 0.01 -0.03 0.07 0.02 -0.17 0.04 0.07 -0.06 -0.17 0.13 -0.10 0.13 -0.05 -0.09 0.11 -0.06 0.02 0.15 0.03 -0.06 -0.06 -0.00 0.16 0.01 0.01 -0.03 -0.03 -0.03 0.00 -0.01 -0.00 -0.00 0.02 0.01 0.05 -0.06 -0.01 0.04 -0.03 0.00 0.03 -0.20 -0.07 0.02 -0.04 0.01 0.03 0.10 0.09 0.01 0.04 0.09 0.14 -0.00 0.02 -0.02 0.05 -0.01 0.02 0.07 0.01 0.04 0.01 -0.11 0.02 0.04 -0.02 -0.01 0.02 -0.01 0.18 0.19 -0.15 -0.01 0.01 0.02 0.02 -0.07 -0.01 -0.03 0.01 -0.00 -0.06 -0.12 -0.05 -0.04 -0.11 -0.03 0.00 -0.13 -0.03 0.09 -0.03 0.02 0.09 -0.06 0.00 -0.08 0.02 0.00 0.10 -0.09 0.00 -0.02 0.01 0.01 0.05 -0.01 -0.01 -0.07 -0.06 -0.03 0.01 0.06 -0.06 -0.03 0.01 0.06 -0.05 -0.27 0.00 0.01 0.07 -0.07 -0.04 0.04 -0.03 -0.01 -0.01 0.07 -0.03 0.04 -0.09 -0.06 -0.07 -0.05 -0.01 -0.03 -0.08 -0.00 0.07 -0.02 0.31 -0.21 0.06 0.06 -0.04 0.01 0.03 -0.04 -0.02 0.02 -0.04 -0.03 -0.04 0.01 -0.01 0.12 0.13 0.03 0.02 0.00 0.03 0.02 -0.13 -0.03 -0.03 -0.03 -0.04 -0.01 -0.06 -0.03 -0.02 0.02 0.02 -0.02 0.04 0.07 0.01 -0.01 -0.00 0.06 -0.14 -0.03 0.05 -0.09 -0.00 0.00 -0.10 -0.01 0.02 0.20 0.01 -0.09 0.20 0.04 -0.09 0.26 0.16 -0.09 0.08 0.01 -0.10 0.08 0.06 -0.16 0.04 0.06 0.02 -0.00 -0.01 0.00 0.02 0.02 0.01 0.01 0.00 -0.07 0.06 0.06 -0.07 0.09 0.07 -0.03 0.05 0.10 0.07 -0.14 0.04 0.06 -0.04 0.09 0.01 0.04 -0.01 0.10 -0.45 -0.10 0.09 -0.00 0.05 0.03 -0.02 0.02 0.04 0.06 0.02 -0.04 0.00 -0.11 -0.02 0.01 0.01 0.02 0.01 -0.02 -0.10 -0.02 -0.03 -0.10 0.06 -0.02 -0.05 -0.01 -0.02 -0.15 -0.01 -0.10 0.01 0.01 0.02 0.00 -0.03 0.04 -0.04 0.02 -0.04 0.61 -0.56 0.12 0.07 -0.08 0.04 0.05 -0.08 0.02 0.01 -0.07 -0.01 -0.01 0.03 -0.02 -0.02 0.05 -0.01 -0.03 0.01 -0.01 0.04 0.02 0.03 0.02 0.03 0.01 0.04 -0.01 0.04 -0.02 0.03 -0.01 -0.01 0.09 0.03 0.00 0.02 -0.02 0.03 0.12 0.05 0.06 0.12 0.02 0.03 0.08 -0.01 -0.02 -0.01 -0.01 0.03 -0.00 -0.03 -0.06 -0.04 0.04 -0.02 0.00 -0.00 0.00 0.02 0.03 0.02 0.11 -0.07 -0.01 -0.00 0.00 0.01 -0.05 -0.02 -0.02 0.00 -0.01 -0.02 -0.10 -0.05 -0.01 -0.09 -0.05 0.02 -0.09 -0.05 0.03 0.00 -0.00 0.04 -0.03 -0.04 0.03 -0.01 0.02 0.04 0.18 0.09 0.04 -0.01 0.01 0.00 0.03 -0.01 -0.00 0.01 -0.01 0.03 0.02 0.07 0.03 -0.01 -0.06 0.09 0.22 -0.06 -0.07 -0.03 0.09 0.00 0.00 0.00 -0.04 0.02 -0.10 0.00 0.01 0.14 -0.03 -0.04 -0.04 0.03 -0.03 -0.07 0.09 -0.03 0.01 -0.45 0.46 -0.13 -0.02 -0.01 -0.00 -0.04 -0.01 -0.01 -0.00 -0.01 0.01 -0.04 0.01 -0.02 0.01 0.05 -0.01 -0.03 0.01 -0.01 -0.00 -0.06 -0.02 -0.05 -0.00 -0.07 -0.06 -0.01 0.01 0.01 -0.01 0.02 0.00 -0.05 0.02 0.02 0.01 0.02 0.05 0.12 0.08 0.07 0.10 0.06 0.05 0.11 0.06 0.02 0.09 -0.01 -0.00 0.09 0.04 -0.18 0.06 0.26 -0.04 0.03 0.00 -0.04 0.04 0.05 0.07 0.21 -0.12 -0.00 0.01 -0.00 0.02 -0.06 -0.03 -0.02 0.02 -0.01 -0.03 -0.11 -0.06 -0.04 -0.11 -0.07 0.04 -0.10 -0.06 0.06 -0.04 0.03 0.06 -0.07 0.01 -0.01 0.04 0.03 0.08 -0.23 -0.06 0.01 0.04 -0.05 -0.00 -0.01 0.00 -0.02 0.02 0.02 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.13 0.02 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.02 -0.00 -0.02 0.02 -0.00 0.01 -0.02 0.00 -0.02 0.02 -0.03 -0.02 0.01 -0.00 0.00 -0.05 0.03 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 0.02 0.02 0.01 0.00 0.00 0.01 -0.04 0.00 0.02 -0.06 0.04 0.01 -0.04 -0.01 0.03 0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.00 0.00 0.00 0.02 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.01 0.00 0.01 0.05 0.02 0.07 0.05 -0.15 -0.11 0.09 0.20 0.03 -0.01 -0.02 0.01 -0.03 -0.02 0.03 -0.03 -0.02 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 -0.02 0.00 0.04 0.01 -0.00 0.04 -0.02 0.01 0.03 0.03 -0.09 -0.05 0.04 0.02 -0.09 0.00 -0.02 -0.01 0.03 0.82 0.40 -0.02 -0.01 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 -0.02 -0.01 0.01 -0.02 -0.04 -0.05 -0.01 0.05 0.82 0.15 0.01 0.00 -0.02 0.02 0.01 -0.03 -0.13 -0.03 -0.06 0.01 -0.00 -0.02 -0.02 0.00 -0.01 -0.03 0.03 -0.01 -0.02 0.01 -0.00 0.08 -0.08 0.02 0.01 -0.02 -0.01 -0.01 -0.01 -0.01 0.02 -0.04 0.01 -0.03 0.02 -0.01 0.03 0.07 0.01 -0.00 0.01 0.01 -0.06 0.06 0.04 -0.03 0.01 0.06 -0.02 0.01 0.03 -0.00 -0.02 0.06 -0.00 -0.04 0.06 0.00 0.00 0.07 0.05 -0.02 0.02 0.05 -0.01 0.02 0.04 -0.02 0.02 0.02 0.04 0.00 -0.03 0.03 0.03 0.16 0.07 -0.19 0.06 -0.04 -0.01 0.06 -0.04 -0.04 0.02 -0.11 0.04 0.01 0.01 -0.02 0.01 0.01 -0.02 0.01 0.03 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.00 0.02 0.01 0.00 -0.00 -0.01 0.02 -0.00 -0.01 0.02 0.05 -0.09 -0.03 0.02 -0.25 -0.09 -0.12 -0.03 -0.12 0.03 -0.02 0.07 -0.07 0.04 -0.02 -0.03 0.01 -0.01 0.04 0.06 -0.02 -0.01 -0.54 -0.14 -0.03 -0.03 0.07 -0.01 0.04 0.06 0.09 0.04 0.00 -0.05 -0.03 0.04 -0.07 0.04 -0.00 -0.08 0.06 -0.01 0.02 -0.02 -0.01 0.04 -0.03 -0.01 -0.04 0.03 0.01 -0.06 -0.02 -0.04 -0.04 0.08 -0.02 -0.10 0.01 -0.04 0.11 0.20 0.02 -0.03 -0.01 0.02 -0.10 0.06 0.02 -0.05 -0.00 0.08 -0.03 0.01 0.00 0.00 0.03 -0.11 -0.00 0.04 -0.15 -0.03 0.01 -0.11 0.19 -0.04 0.06 0.19 -0.02 0.07 0.13 0.00 0.08 0.01 0.03 0.02 -0.02 0.02 0.00 0.31 0.09 -0.37 0.04 -0.09 -0.00 0.02 -0.12 -0.07 0.05 -0.21 0.05 -0.03 -0.03 0.01 -0.02 -0.04 -0.00 -0.03 -0.04 -0.00 0.02 0.02 -0.04 0.04 0.01 -0.04 0.08 0.02 -0.02 -0.01 -0.02 0.00 -0.01 0.01 -0.01 0.01 0.00 0.03 0.02 -0.09 -0.02 0.07 -0.01 0.10 -0.01 0.02 -0.04 -0.10 0.14 0.12 -0.08 -0.00 0.07 -0.03 -0.03 0.02 0.01 0.18 0.05 -0.01 -0.01 -0.06 0.01 -0.01 -0.08 -0.06 -0.02 0.00 -0.01 -0.05 -0.02 -0.08 0.13 0.06 -0.06 0.07 0.08 -0.02 -0.05 0.02 -0.23 0.17 -0.04 0.04 -0.03 0.01 -0.03 -0.04 -0.04 0.05 -0.03 0.02 -0.12 0.03 -0.04 0.20 0.28 0.05 -0.03 0.01 0.04 0.16 -0.06 -0.07 0.13 -0.03 -0.12 0.10 -0.04 -0.04 -0.01 -0.01 0.07 -0.02 -0.12 0.07 0.02 -0.01 0.07 0.24 -0.08 0.02 0.25 0.00 0.04 0.14 -0.05 0.01 -0.06 -0.14 -0.03 0.02 -0.14 -0.03 -0.15 -0.22 0.09 -0.08 0.10 0.02 -0.03 0.15 0.07 -0.18 0.11 0.06 -0.00 0.01 -0.05 -0.01 0.02 -0.04 -0.02 0.04 -0.02 0.04 0.01 0.04 -0.01 0.06 0.05 0.08 -0.01 0.09 -0.06 0.06 -0.03 -0.06 0.05 0.00 -0.01 0.02 -0.03 -0.11 0.28 0.05 -0.02 0.02 -0.03 0.01 -0.00 0.02 -0.02 0.07 0.14 -0.03 -0.02 -0.04 0.01 0.01 -0.02 0.01 0.09 -0.00 0.04 -0.01 0.06 0.03 0.01 0.08 0.01 -0.00 -0.03 0.01 -0.01 0.03 -0.01 0.05 0.05 0.08 -0.01 0.04 -0.02 -0.02 -0.01 0.20 -0.22 0.04 -0.04 0.02 -0.02 -0.02 0.02 -0.01 -0.03 0.03 -0.02 -0.01 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.01 -0.05 -0.01 0.04 -0.11 0.03 -0.09 -0.11 -0.05 0.09 0.00 -0.01 -0.03 0.01 0.05 -0.02 -0.00 0.00 -0.02 0.02 -0.02 -0.03 0.01 -0.04 -0.02 0.02 0.00 0.02 0.07 -0.01 -0.12 0.02 -0.01 -0.00 -0.51 -0.09 0.66 0.01 -0.02 -0.00 0.01 -0.04 0.01 -0.00 -0.04 0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.01 0.02 -0.00 0.01 -0.00 -0.01 0.01 0.03 -0.01 -0.02 0.02 0.01 -0.02 -0.00 0.03 0.02 -0.01 0.01 -0.02 -0.21 -0.11 0.00 -0.00 -0.01 -0.10 0.07 -0.10 -0.01 -0.01 -0.01 0.01 -0.02 -0.12 0.07 -0.01 -0.07 0.00 -0.19 -0.06 0.02 0.02 0.18 0.03 0.06 0.19 0.13 0.03 -0.02 -0.03 0.01 0.12 -0.00 0.00 0.01 -0.04 0.00 0.02 0.00 -0.00 -0.05 0.41 -0.40 0.07 -0.04 -0.00 -0.08 -0.02 0.04 -0.03 -0.06 -0.05 -0.06 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.03 -0.01 -0.01 -0.03 -0.06 0.01 -0.03 -0.02 -0.01 0.02 -0.08 0.01 -0.07 0.14 0.03 0.12 0.24 0.06 -0.05 0.14 0.01 -0.04 0.01 -0.02 -0.06 0.03 0.02 0.01 0.07 -0.02 -0.00 0.03 -0.00 -0.00 -0.01 0.16 0.02 -0.22 -0.01 0.00 0.02 -0.03 -0.00 -0.02 0.27 0.22 -0.19 0.02 0.03 -0.03 0.03 0.06 -0.04 0.05 0.03 -0.00 0.00 0.01 0.01 -0.03 -0.02 -0.01 0.01 0.03 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.13 0.09 0.02 -0.02 0.09 0.03 -0.05 0.08 -0.05 0.10 -0.04 0.10 0.01 -0.02 -0.04 0.01 -0.01 -0.07 -0.02 0.00 -0.05 -0.02 0.61 0.12 0.08 0.01 0.13 0.07 0.04 0.15 -0.01 0.02 -0.04 0.03 -0.00 0.09 0.00 -0.01 0.00 -0.05 0.00 0.01 -0.00 0.01 -0.02 0.19 -0.21 0.04 -0.08 0.06 -0.02 -0.04 0.04 -0.01 -0.09 0.07 -0.03 0.00 -0.01 0.00 -0.04 -0.05 -0.01 -0.01 -0.00 -0.01 0.05 -0.07 -0.09 0.06 -0.06 -0.06 0.03 0.01 -0.11 0.00 0.01 -0.13 0.01 0.15 -0.12 -0.02 0.04 -0.12 -0.02 -0.01 0.01 -0.04 -0.03 0.02 0.02 -0.01 0.03 -0.04 -0.01 0.04 -0.01 -0.01 0.01 0.16 -0.01 -0.23 -0.07 0.08 -0.00 -0.04 0.10 0.04 -0.31 -0.09 0.17 -0.02 -0.02 0.02 -0.02 -0.03 0.02 -0.01 -0.05 -0.01 -0.01 -0.03 0.01 -0.01 0.03 0.04 -0.02 -0.06 0.04 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.12 -0.05 0.01 0.00 0.09 0.04 0.04 -0.04 -0.05 0.06 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.00 0.02 -0.02 -0.01 0.01 -0.01 0.17 0.05 0.01 0.00 -0.03 0.00 0.00 -0.02 -0.04 -0.02 -0.00 0.01 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.05 0.05 -0.01 0.00 0.02 0.02 -0.01 0.03 0.03 -0.06 -0.01 -0.01 -0.00 -0.00 -0.00 0.03 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.02 -0.01 0.00 -0.01 -0.03 -0.05 0.02 0.32 0.10 0.04 0.03 -0.06 0.00 -0.03 -0.00 0.00 -0.04 -0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.08 -0.08 0.06 -0.02 -0.02 -0.01 0.51 0.51 -0.46 0.00 -0.00 0.01 0.00 0.04 -0.01 0.05 -0.04 0.00 0.01 0.05 -0.01 -0.08 -0.05 -0.08 0.02 0.10 -0.06 -0.00 -0.00 -0.01 -0.01 0.01 0.03 0.04 0.00 0.16 -0.04 0.04 -0.00 0.07 0.01 -0.02 -0.03 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.02 0.00 -0.00 0.01 0.00 -0.06 -0.01 -0.00 -0.01 -0.02 -0.01 0.01 -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 0.01 -0.06 0.07 -0.01 0.01 0.02 0.03 -0.01 0.06 0.06 -0.13 -0.06 -0.02 -0.01 -0.00 -0.00 0.08 -0.02 -0.02 0.00 0.04 -0.04 0.00 0.00 0.01 -0.00 0.01 0.01 0.01 -0.01 0.01 0.00 -0.09 -0.01 0.08 0.87 0.25 0.01 -0.03 0.00 0.01 0.01 0.00 -0.00 0.02 0.01 0.02 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.00 -0.02 -0.01 0.02 0.03 0.03 -0.02 0.01 0.00 -0.00 -0.15 -0.16 0.14 -0.01 0.02 -0.01 0.01 0.07 -0.06 0.10 -0.07 -0.02 -0.01 -0.02 0.01 0.01 0.01 0.03 -0.01 -0.04 0.03 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.05 0.01 -0.00 0.00 -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 0.06 0.13 -0.01 0.00 -0.11 0.00 -0.00 -0.00 -0.06 0.01 0.06 -0.01 -0.00 -0.00 -0.01 -0.02 0.00 0.06 0.00 0.04 0.01 0.01 0.01 -0.00 0.01 0.01 0.10 -0.11 0.01 0.01 0.00 0.00 -0.10 -0.07 0.04 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.01 0.01 -0.01 0.02 -0.00 0.00 -0.00 0.06 -0.06 0.07 0.04 0.03 -0.05 0.00 -0.00 -0.00 0.00 0.01 0.04 0.03 0.01 -0.01 -0.00 0.00 -0.01 0.03 0.03 -0.03 -0.04 -0.00 -0.04 0.01 -0.03 -0.01 -0.31 -0.09 -0.12 0.03 0.37 0.03 -0.01 -0.00 -0.00 -0.01 0.00 -0.02 0.04 0.03 -0.04 -0.00 0.00 -0.00 -0.02 -0.02 0.03 -0.03 0.01 -0.03 -0.00 -0.01 0.03 0.11 0.02 0.08 -0.02 -0.03 0.05 -0.02 0.01 0.00 0.06 0.26 -0.42 -0.00 -0.00 0.02 0.53 -0.16 0.20 0.00 0.00 -0.01 0.00 0.00 0.00 -0.02 -0.07 -0.12 -0.00 0.02 0.53 0.01 -0.00 -0.02 -0.19 0.03 0.19 0.00 0.00 0.00 -0.05 0.04 0.08 0.20 -0.02 0.10 -0.10 -0.04 -0.07 -0.00 -0.00 -0.03 -0.00 0.19 -0.09 -0.04 -0.02 0.00 0.45 0.37 -0.20 0.00 -0.00 -0.01 0.03 -0.01 0.00 -0.02 0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.02 0.04 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 -0.03 0.03 0.03 0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 0.02 0.02 -0.01 -0.01 0.01 -0.00 0.00 0.03 0.01 0.09 -0.03 -0.10 0.04 -0.01 0.01 -0.00 -0.05 -0.02 -0.07 0.08 -0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.03 0.03 0.03 -0.01 -0.02 0.03 -0.02 0.00 -0.01 0.02 0.04 -0.15 -0.00 0.00 0.03 0.15 -0.03 0.07 0.00 0.01 -0.05 0.00 0.00 0.01 -0.01 0.03 0.12 0.01 -0.01 -0.13 0.03 -0.00 -0.03 -0.45 0.03 0.44 -0.03 -0.00 -0.01 -0.08 -0.05 0.04 0.48 -0.03 0.25 -0.02 0.04 -0.04 0.00 0.00 0.00 0.07 -0.10 0.02 0.01 0.00 0.00 -0.13 -0.07 0.05 0.01 0.00 -0.00 0.05 -0.03 -0.01 0.02 0.04 -0.02 -0.00 -0.01 0.00 0.00 0.06 0.03 0.00 -0.04 0.04 -0.01 -0.01 0.00 0.02 0.01 0.10 0.05 0.09 -0.08 0.00 -0.01 0.00 -0.00 0.02 -0.04 -0.03 0.03 0.02 0.00 0.00 0.00 0.07 0.06 -0.05 -0.10 0.01 -0.05 -0.01 -0.00 -0.01 -0.04 -0.02 -0.10 -0.01 0.11 0.02 0.01 0.00 0.00 0.01 -0.00 0.02 -0.03 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.02 -0.02 0.01 0.01 0.02 0.00 0.00 -0.01 -0.05 -0.02 -0.04 0.03 0.01 -0.02 0.02 -0.00 0.01 -0.02 -0.06 0.21 0.02 -0.02 -0.00 -0.22 0.05 -0.09 -0.03 0.01 -0.12 -0.00 0.00 0.00 -0.04 -0.03 0.07 0.02 -0.01 0.16 0.00 0.01 0.00 0.04 -0.04 -0.04 0.01 -0.01 -0.00 0.02 -0.03 -0.02 -0.03 0.01 -0.01 0.03 -0.00 0.01 0.00 -0.00 -0.01 0.08 0.01 -0.04 -0.01 -0.01 -0.00 0.15 0.09 -0.06 -0.00 0.00 0.00 -0.01 -0.06 -0.07 0.05 0.07 -0.01 0.00 -0.01 -0.00 -0.08 0.17 0.08 0.05 -0.11 0.13 -0.01 -0.00 -0.02 -0.02 -0.06 -0.08 -0.20 0.23 0.01 -0.00 -0.01 0.01 -0.00 0.06 -0.09 -0.09 -0.02 0.03 -0.01 -0.00 0.01 0.07 -0.02 -0.07 -0.06 0.02 0.00 -0.00 -0.01 0.01 -0.06 -0.02 -0.03 0.03 0.09 -0.02 0.03 -0.04 0.00 0.27 0.09 0.42 -0.42 0.40 -0.07 -0.00 0.00 -0.01 -0.02 0.08 0.01 0.01 0.03 0.05 0.00 0.01 0.00 0.02 -0.11 -0.05 -0.00 0.08 -0.09 0.00 0.00 0.00 0.00 0.02 0.00 0.07 -0.07 -0.12 0.01 0.01 0.01 -0.10 -0.04 0.02 -0.00 -0.00 -0.00 -0.02 0.06 0.19 -0.02 0.02 0.21 -0.01 -0.00 0.01 0.15 0.01 -0.14 0.02 0.00 0.01 0.01 0.02 0.02 -0.16 0.02 -0.08 -0.03 -0.04 -0.00 -0.00 0.00 -0.01 0.20 -0.09 -0.04 -0.01 -0.01 0.00 0.19 0.15 -0.08 -0.00 0.00 0.00 -0.00 -0.05 -0.06 0.01 0.06 -0.04 0.00 -0.01 -0.00 -0.06 0.11 0.06 0.01 -0.08 0.08 0.00 0.01 -0.00 0.06 -0.04 0.09 0.11 -0.07 -0.04 -0.00 -0.00 -0.00 0.00 0.00 0.05 0.03 -0.02 -0.02 -0.01 0.00 -0.01 0.04 0.01 -0.06 -0.05 0.01 -0.02 -0.01 -0.03 0.00 -0.27 -0.10 -0.29 0.02 0.46 0.05 -0.01 0.02 0.00 -0.08 -0.02 -0.15 0.12 -0.16 0.05 -0.00 0.00 -0.00 0.01 0.01 -0.02 -0.01 0.03 0.04 0.00 -0.01 -0.02 -0.06 0.00 -0.03 0.04 -0.01 -0.00 0.04 0.00 0.02 -0.02 -0.00 0.29 -0.03 0.03 0.03 -0.25 0.05 -0.11 0.04 0.00 0.05 0.00 0.00 -0.00 -0.02 -0.03 0.01 0.02 -0.01 -0.06 -0.00 -0.00 -0.00 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -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 -0.06 -0.04 0.02 0.00 0.01 0.01 0.00 -0.18 -0.20 0.07 0.21 -0.09 0.02 -0.03 -0.02 -0.25 0.44 0.22 0.11 -0.33 0.35 0.00 -0.00 0.01 -0.02 0.05 0.01 0.05 -0.07 0.01 -0.01 -0.02 -0.00 0.00 0.07 0.05 0.01 -0.03 -0.01 -0.01 0.01 0.00 0.12 -0.05 -0.13 -0.06 0.01 -0.04 -0.00 0.02 -0.00 0.14 0.05 0.12 -0.00 -0.22 -0.04 -0.01 0.01 -0.00 -0.09 -0.04 -0.12 0.13 -0.12 0.02 -0.00 0.01 -0.01 -0.05 0.16 0.05 -0.02 0.11 0.12 0.00 -0.01 0.01 0.01 0.02 0.02 -0.09 -0.02 -0.01 -0.01 0.00 -0.00 0.01 -0.06 -0.11 -0.03 0.04 0.03 0.08 -0.02 0.03 0.04 0.02 0.00 -0.03 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.02 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.01 0.00 0.01 0.02 0.03 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 -0.02 -0.01 0.01 0.00 0.01 0.01 0.00 0.01 0.01 -0.13 -0.01 -0.07 -0.00 -0.00 -0.00 -0.01 0.03 0.01 0.03 -0.01 0.03 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.03 0.04 -0.00 -0.00 0.01 -0.04 0.02 -0.19 0.64 0.53 0.05 -0.21 -0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.01 0.00 -0.03 -0.01 0.01 0.00 -0.01 0.05 0.02 0.07 -0.11 0.04 0.01 0.01 0.00 0.00 -0.05 -0.18 0.13 -0.20 0.08 -0.11 0.00 0.01 -0.01 0.04 -0.02 -0.01 0.02 0.03 -0.02 -0.00 -0.00 -0.00 -0.01 -0.01 0.04 0.03 -0.10 0.13 -0.04 0.01 -0.02 -0.11 -0.04 0.06 0.00 -0.00 -0.00 -0.15 -0.03 0.49 0.08 -0.06 0.05 -0.00 -0.00 0.00 0.04 0.01 -0.04 0.01 -0.00 0.01 0.01 -0.09 -0.02 -0.04 -0.01 -0.02 0.07 0.05 0.03 0.00 -0.00 -0.01 0.41 -0.11 -0.10 -0.01 0.00 -0.00 0.06 0.01 -0.01 0.00 0.00 -0.01 -0.05 0.19 0.16 -0.06 -0.20 0.10 -0.02 -0.01 0.00 0.12 -0.01 -0.01 0.08 0.08 -0.03 0.00 -0.01 0.01 -0.02 0.08 0.05 0.02 0.08 -0.04 0.00 0.01 -0.00 0.00 -0.02 -0.03 -0.02 0.02 0.01 0.00 -0.00 -0.01 0.21 0.14 -0.17 -0.30 0.09 -0.08 -0.02 0.02 -0.00 0.16 0.06 0.11 0.04 -0.23 -0.12 -0.00 0.00 -0.00 -0.05 -0.03 -0.02 0.04 -0.04 0.01 -0.00 -0.00 0.00 -0.04 -0.00 0.07 -0.01 -0.04 -0.07 0.00 0.00 0.00 0.03 -0.01 0.00 -0.04 0.01 -0.03 -0.01 -0.00 -0.00 0.01 -0.06 -0.06 -0.02 0.03 0.01 0.03 -0.02 0.01 0.04 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.08 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.06 0.01 -0.06 0.01 0.00 0.00 -0.07 -0.15 0.07 -0.06 0.06 -0.02 -0.01 -0.05 0.04 0.00 -0.00 -0.00 0.07 -0.03 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.01 0.37 -0.33 -0.14 0.15 0.41 -0.19 -0.01 0.01 0.02 0.06 -0.17 -0.07 -0.24 0.03 -0.14 -0.00 -0.01 0.00 0.01 0.03 0.07 0.01 0.12 -0.06 -0.01 -0.01 0.00 -0.00 0.03 0.06 0.03 -0.06 -0.02 0.01 -0.01 -0.00 0.04 0.31 0.05 -0.16 -0.05 -0.18 -0.00 0.01 -0.00 0.06 0.02 0.05 -0.00 -0.10 -0.02 0.00 -0.01 -0.00 0.02 0.01 0.00 0.01 0.03 -0.02 0.00 -0.00 0.00 0.11 -0.10 -0.16 0.04 0.01 0.06 -0.00 0.01 -0.00 -0.04 0.11 0.04 0.08 -0.07 0.12 -0.01 -0.00 -0.00 -0.00 0.03 -0.01 0.02 -0.02 -0.01 0.02 -0.01 0.01 -0.03 -0.02 0.06 0.00 0.00 -0.01 0.07 0.02 -0.20 -0.07 0.05 -0.00 -0.01 -0.01 0.00 0.07 -0.01 -0.07 0.00 0.00 0.01 0.04 -0.05 -0.06 -0.07 0.19 0.02 -0.02 -0.13 0.14 0.00 -0.00 0.00 -0.18 0.04 0.05 0.00 0.00 -0.00 0.03 -0.00 -0.00 0.01 0.01 -0.00 -0.12 0.15 0.09 -0.04 -0.17 0.10 0.00 -0.01 -0.01 -0.00 0.08 0.03 0.04 -0.04 0.05 -0.02 -0.02 -0.00 0.11 0.11 0.44 0.24 0.40 -0.34 0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.00 0.01 -0.00 -0.00 -0.01 0.02 0.07 0.13 -0.01 -0.03 -0.14 -0.20 0.01 -0.00 -0.02 0.02 0.00 -0.01 -0.08 -0.02 0.10 0.00 -0.00 -0.00 -0.01 -0.02 0.02 0.02 0.03 -0.02 -0.00 -0.00 0.00 -0.00 0.07 -0.01 0.03 0.00 0.04 0.00 0.00 -0.01 -0.03 0.09 0.03 -0.03 -0.07 0.07 0.00 0.00 0.00 0.00 -0.03 0.00 0.06 -0.08 -0.02 -0.01 0.00 -0.01 -0.10 -0.05 0.08 0.00 0.01 -0.00 0.19 0.35 0.14 -0.24 0.17 0.01 0.01 0.00 -0.00 -0.02 -0.03 0.02 0.00 0.00 -0.00 -0.03 0.02 0.04 0.03 0.12 0.05 -0.14 -0.17 0.04 -0.01 -0.01 -0.01 0.20 -0.23 0.01 0.01 -0.01 0.00 0.02 0.05 -0.02 0.00 -0.00 -0.00 0.01 0.04 0.04 -0.06 -0.04 -0.01 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.03 -0.05 -0.12 -0.06 -0.12 0.09 -0.01 0.01 -0.01 -0.01 -0.10 0.05 0.05 0.00 -0.03 -0.01 0.01 -0.01 -0.05 -0.10 0.01 0.21 -0.15 -0.09 -0.01 0.01 0.00 0.07 0.03 0.01 0.04 -0.06 -0.08 -0.00 -0.00 0.00 0.07 0.07 -0.05 0.02 0.03 -0.02 -0.01 -0.01 0.00 0.03 0.31 -0.11 0.23 -0.07 0.17 0.00 -0.00 0.00 -0.11 0.11 0.02 -0.15 -0.09 0.06 0.00 0.00 0.00 0.02 -0.11 -0.07 0.14 -0.18 -0.02 0.03 -0.01 0.01 -0.21 -0.08 0.06 -0.00 -0.01 0.00 0.17 0.30 0.10 -0.20 0.14 0.00 -0.01 -0.01 0.00 0.00 0.03 0.00 0.00 0.00 -0.00 0.00 0.10 0.02 -0.01 -0.04 -0.01 -0.11 -0.11 -0.01 -0.01 -0.00 -0.00 0.14 -0.21 0.02 0.01 -0.01 0.01 0.01 0.04 -0.02 -0.00 -0.01 0.00 0.01 -0.11 -0.11 0.05 0.12 -0.06 -0.00 0.01 0.01 -0.03 -0.05 -0.02 0.05 0.06 -0.01 -0.01 -0.01 -0.01 0.01 0.14 0.19 0.14 0.12 -0.15 0.01 -0.01 0.01 0.01 0.08 -0.05 -0.06 -0.03 0.03 -0.01 -0.00 0.00 -0.10 -0.23 0.03 0.23 -0.07 0.06 -0.01 0.01 -0.01 0.09 0.03 0.01 0.00 -0.10 -0.04 0.01 -0.00 -0.00 -0.06 -0.09 0.14 -0.07 0.03 0.01 0.01 0.01 -0.00 -0.08 -0.21 0.18 -0.20 0.03 -0.20 -0.00 0.01 0.00 0.13 -0.11 -0.02 -0.01 0.09 -0.11 -0.01 -0.00 0.00 -0.00 -0.03 -0.01 -0.15 0.20 -0.00 -0.01 -0.02 -0.01 0.23 0.08 -0.03 -0.01 -0.01 0.01 -0.05 -0.06 0.01 0.06 -0.04 -0.00 -0.01 -0.01 -0.00 -0.01 0.07 0.02 -0.00 -0.00 -0.00 -0.00 0.06 0.02 -0.01 -0.13 -0.04 0.02 0.07 -0.08 -0.00 0.00 0.00 -0.01 0.03 -0.01 -0.00 0.00 0.00 -0.02 -0.00 0.01 0.00 -0.00 0.01 0.03 -0.02 0.00 -0.08 0.01 -0.07 -0.00 0.01 0.00 0.04 -0.07 -0.04 -0.04 0.04 -0.05 -0.00 -0.00 -0.01 0.02 0.08 0.12 0.06 0.12 -0.10 -0.01 0.02 -0.02 -0.01 -0.15 0.18 0.14 -0.13 -0.11 0.01 -0.00 0.00 -0.02 -0.07 0.01 0.01 0.05 0.09 0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.01 0.02 0.02 0.02 -0.01 -0.01 -0.03 -0.08 0.12 -0.10 0.00 0.03 -0.01 -0.02 0.00 0.05 0.44 -0.17 0.34 -0.10 0.26 -0.00 -0.01 0.01 -0.04 -0.10 -0.05 -0.08 0.05 -0.09 0.00 0.00 0.00 0.01 -0.04 -0.04 -0.23 0.28 0.05 0.03 -0.01 0.01 0.33 0.12 0.00 -0.01 -0.01 0.00 0.13 0.13 -0.14 -0.14 0.10 0.00 -0.01 -0.00 -0.00 -0.02 0.05 0.02 0.01 0.01 0.00 -0.06 -0.14 0.05 0.01 -0.14 -0.03 -0.05 -0.11 0.09 0.00 -0.00 -0.00 -0.12 -0.07 0.06 0.00 -0.01 0.00 0.03 0.02 -0.01 0.00 0.01 -0.01 0.09 0.14 0.20 -0.09 -0.14 0.04 0.00 -0.02 -0.01 0.00 0.12 0.05 -0.00 -0.09 0.06 0.02 0.01 0.01 -0.07 -0.03 -0.24 -0.23 0.02 0.16 0.01 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.04 -0.01 -0.01 -0.00 0.01 0.09 0.25 -0.02 -0.08 -0.16 -0.29 0.00 -0.00 0.01 -0.02 -0.01 -0.03 0.03 0.05 -0.02 0.01 -0.02 -0.01 0.04 -0.01 0.04 -0.04 0.02 -0.01 -0.00 0.00 -0.00 0.01 -0.09 -0.00 -0.08 0.07 0.01 0.00 0.01 -0.01 -0.00 0.16 0.06 0.01 -0.11 0.14 0.00 -0.00 0.00 -0.00 0.01 0.03 -0.22 0.28 0.05 -0.03 0.00 -0.01 0.34 0.13 -0.08 0.00 0.00 -0.00 -0.01 -0.07 -0.13 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.04 0.00 -0.04 0.01 0.01 -0.00 -0.12 -0.15 0.12 -0.03 0.06 -0.00 -0.06 -0.06 -0.00 0.01 0.00 0.00 -0.17 0.02 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 -0.02 -0.00 -0.01 0.51 -0.03 0.26 -0.03 0.09 -0.08 -0.03 -0.00 -0.00 0.07 -0.02 -0.02 0.26 0.15 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.11 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.04 -0.02 -0.01 0.02 0.00 0.01 0.01 0.17 -0.09 -0.17 -0.06 -0.01 -0.05 0.00 -0.01 0.00 -0.03 -0.02 -0.06 -0.01 0.07 0.03 -0.00 0.01 0.00 -0.03 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.19 0.21 0.30 0.02 -0.13 -0.18 0.00 -0.00 -0.00 0.07 -0.12 -0.04 -0.18 0.08 -0.17 0.01 0.01 0.01 0.02 -0.13 -0.03 0.04 -0.04 -0.03 -0.02 0.00 -0.01 -0.06 -0.03 0.04 0.00 0.00 0.00 -0.01 0.00 0.04 -0.03 0.02 -0.04 -0.00 0.00 -0.00 0.04 0.01 -0.04 0.02 -0.00 0.00 -0.13 0.11 0.21 -0.03 0.00 -0.02 -0.14 0.00 -0.21 0.00 -0.00 0.00 0.03 -0.02 -0.00 0.01 0.00 0.01 -0.07 0.01 0.01 -0.00 0.00 -0.01 0.28 0.13 0.29 -0.27 -0.14 -0.10 0.01 -0.01 -0.02 -0.01 0.13 0.05 -0.16 -0.17 0.05 -0.02 0.01 -0.01 0.05 -0.00 0.13 0.25 -0.28 -0.06 0.01 0.00 0.00 0.01 -0.02 -0.07 -0.05 -0.09 -0.00 -0.00 -0.01 -0.01 -0.06 0.03 0.06 -0.02 0.06 0.08 0.00 0.01 -0.01 0.02 0.01 0.07 -0.02 -0.07 0.00 0.01 0.00 0.01 0.01 -0.01 0.08 -0.08 0.08 -0.01 -0.00 0.00 -0.00 0.11 -0.14 -0.18 -0.08 0.19 0.20 -0.01 0.00 0.01 0.01 -0.11 -0.04 0.18 0.08 -0.03 -0.00 -0.01 -0.01 -0.02 0.16 0.04 0.03 -0.02 -0.13 0.02 0.00 0.01 -0.05 -0.03 0.07 0.01 -0.00 -0.01 0.03 0.04 -0.02 -0.09 0.06 0.03 0.00 -0.02 -0.01 -0.04 0.03 0.05 -0.01 0.01 -0.01 0.07 -0.26 -0.17 0.03 0.35 0.12 0.09 -0.13 0.30 0.01 0.00 -0.00 -0.05 -0.07 0.04 -0.01 -0.00 -0.01 0.08 0.00 -0.02 -0.01 0.01 -0.00 0.05 0.04 0.08 0.13 -0.02 0.12 0.00 0.00 -0.00 0.01 0.02 0.00 -0.10 -0.06 -0.00 0.01 -0.01 0.00 -0.12 0.17 -0.14 -0.12 0.04 0.07 -0.00 0.00 -0.01 -0.00 0.03 0.04 0.02 -0.07 -0.04 -0.00 -0.01 0.00 -0.02 -0.01 0.02 -0.04 0.06 0.09 0.00 -0.00 0.01 0.01 -0.00 -0.02 0.03 -0.01 -0.03 -0.00 0.02 -0.00 -0.16 -0.11 0.01 0.08 -0.12 0.04 -0.00 -0.00 -0.00 0.05 0.01 -0.09 0.01 0.08 0.14 -0.01 -0.00 0.02 0.10 -0.33 -0.11 0.17 0.23 -0.22 -0.01 -0.01 -0.00 -0.02 0.20 0.05 -0.01 0.02 -0.01 0.04 -0.02 0.01 0.01 -0.03 0.19 -0.00 -0.00 -0.00 -0.04 -0.05 0.04 0.12 -0.08 -0.05 -0.00 -0.01 -0.01 -0.02 0.03 0.03 -0.01 0.00 -0.01 0.03 -0.10 -0.09 0.02 0.18 0.06 0.05 -0.05 0.13 -0.02 -0.02 0.02 0.36 0.43 -0.25 -0.00 0.01 -0.01 -0.05 -0.08 0.03 -0.01 0.00 -0.00 0.26 0.03 0.19 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.02 0.05 0.01 0.01 -0.04 0.03 0.00 -0.00 0.00 0.07 -0.15 0.02 -0.08 0.19 -0.02 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.10 -0.02 0.00 0.02 -0.01 -0.13 -0.24 0.05 0.29 -0.08 0.06 -0.01 -0.01 0.00 -0.08 -0.01 0.10 -0.01 0.02 0.02 -0.00 -0.01 0.00 0.05 0.05 -0.07 0.03 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.05 0.02 -0.09 0.10 0.05 0.01 -0.00 -0.01 -0.06 0.15 0.05 -0.07 -0.10 0.10 0.01 0.00 -0.00 0.01 -0.05 0.01 -0.06 0.09 -0.04 -0.03 0.04 -0.01 0.10 0.01 0.13 0.00 0.01 0.00 0.04 0.08 0.01 0.02 -0.02 0.04 0.00 0.02 0.01 0.04 -0.07 -0.05 -0.01 0.00 -0.00 0.01 -0.03 -0.02 -0.03 -0.36 -0.12 0.10 0.14 -0.05 -0.00 0.00 -0.00 -0.03 -0.12 0.04 -0.00 -0.01 0.00 0.04 0.02 -0.01 -0.02 -0.00 -0.01 0.30 0.04 0.22 0.05 -0.01 0.05 0.00 -0.00 -0.01 -0.00 0.06 0.02 -0.08 -0.08 0.02 0.02 -0.02 0.01 -0.06 0.15 0.00 -0.17 0.39 -0.04 -0.00 -0.02 -0.01 -0.00 0.01 -0.01 0.01 0.26 0.07 0.00 -0.00 -0.00 -0.09 -0.13 0.05 0.10 0.03 0.12 0.00 -0.00 0.00 0.04 0.00 -0.06 0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.05 -0.02 -0.06 0.07 -0.11 0.03 0.00 -0.00 -0.00 0.04 0.00 -0.07 -0.03 0.11 0.13 -0.00 -0.00 0.01 -0.02 -0.03 -0.01 0.01 0.02 -0.02 -0.00 0.00 0.00 0.00 0.01 -0.01 0.09 -0.16 0.25 0.02 -0.02 0.00 -0.13 0.01 -0.33 -0.00 -0.00 -0.00 0.07 0.07 -0.07 -0.14 0.10 -0.06 0.00 0.00 0.01 0.02 -0.04 -0.03 0.00 0.02 0.00 -0.00 -0.09 -0.02 -0.02 -0.13 -0.05 -0.05 -0.12 0.11 -0.01 -0.02 0.01 0.17 0.25 -0.13 0.01 -0.00 -0.00 -0.03 -0.04 0.02 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.15 0.02 0.09 -0.00 -0.01 0.00 -0.03 0.06 0.03 0.10 0.01 0.05 -0.01 0.01 -0.01 0.13 -0.22 0.08 0.13 -0.16 -0.02 -0.01 -0.01 -0.00 -0.01 -0.03 0.03 0.05 0.24 0.05 -0.01 -0.00 0.01 0.04 0.05 -0.02 -0.03 -0.04 -0.06 0.00 0.01 -0.01 -0.10 0.00 0.22 -0.03 -0.08 0.01 0.00 0.00 -0.00 0.04 0.03 0.02 -0.09 -0.00 0.03 -0.01 0.01 0.01 0.04 0.03 -0.09 0.20 -0.25 -0.16 -0.00 -0.01 0.01 -0.01 -0.15 -0.07 0.19 0.09 -0.06 0.00 -0.01 -0.01 -0.04 0.30 0.13 -0.01 -0.04 0.25 0.00 0.04 0.02 0.02 0.05 -0.26 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.03 0.02 -0.01 0.00 0.00 0.01 0.00 -0.03 -0.00 -0.01 0.02 0.00 0.04 -0.11 -0.08 -0.00 -0.03 -0.01 0.02 -0.06 0.15 -0.00 -0.00 0.00 0.03 0.07 -0.03 -0.00 0.00 -0.00 0.02 -0.02 0.00 -0.01 0.00 -0.01 -0.05 0.02 -0.01 0.21 -0.01 0.16 0.00 0.01 -0.00 0.07 -0.10 -0.06 -0.20 -0.03 -0.08 -0.02 0.01 -0.01 0.07 -0.11 0.07 0.20 -0.31 -0.01 -0.00 -0.02 -0.01 0.01 0.07 0.03 0.01 0.15 0.03 0.01 -0.01 0.00 -0.01 0.12 0.05 -0.05 0.00 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.02 0.04 0.02 0.01 -0.00 -0.00 0.03 0.01 0.07 -0.11 0.06 0.01 0.02 -0.03 -0.01 -0.08 0.12 0.14 -0.24 0.37 0.31 0.00 0.01 0.00 0.02 -0.05 -0.02 -0.20 0.03 -0.10 0.00 0.01 0.01 0.04 -0.32 -0.13 -0.02 -0.00 0.14 -0.01 0.01 -0.00 0.03 0.04 -0.18 0.00 0.01 0.00 0.05 0.03 -0.10 -0.08 0.06 -0.09 0.00 0.01 0.00 0.02 -0.01 -0.02 0.01 -0.01 0.00 -0.06 0.13 0.13 -0.01 -0.09 -0.03 -0.13 -0.06 -0.12 -0.01 -0.02 0.02 0.25 0.42 -0.21 0.01 0.00 0.00 -0.10 -0.06 0.04 0.01 0.00 0.00 -0.13 -0.02 -0.10 -0.16 -0.01 -0.11 0.00 0.00 -0.00 0.00 -0.05 -0.02 -0.03 0.01 -0.03 0.02 -0.01 0.01 -0.20 0.38 -0.11 -0.09 0.08 0.03 0.01 -0.00 0.00 0.00 -0.01 -0.04 -0.03 0.00 0.02 0.00 -0.01 0.01 -0.02 0.23 0.09 -0.03 -0.10 -0.15 0.00 -0.02 0.01 -0.01 -0.03 -0.09 0.03 0.08 -0.01 -0.00 0.01 -0.00 -0.15 -0.13 0.08 0.06 -0.03 -0.00 0.01 -0.01 -0.01 -0.09 0.15 0.14 -0.04 0.06 0.06 -0.01 0.00 -0.00 0.18 -0.11 -0.00 -0.00 0.06 -0.08 -0.00 -0.00 0.00 -0.01 0.03 0.02 0.07 -0.08 -0.04 -0.01 -0.01 -0.01 -0.11 -0.03 -0.04 0.00 -0.00 -0.01 -0.09 -0.11 0.05 0.13 -0.09 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.06 -0.03 -0.01 0.14 0.04 -0.01 -0.06 0.09 -0.00 0.00 -0.00 0.02 0.03 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.01 0.08 0.02 0.06 0.12 -0.00 0.09 0.00 -0.00 -0.00 -0.04 0.09 0.04 0.01 -0.05 0.05 -0.01 -0.01 -0.01 -0.21 0.46 -0.01 0.17 -0.30 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.03 0.15 0.03 -0.00 0.01 -0.01 -0.04 -0.09 0.00 0.12 -0.04 -0.00 -0.00 -0.01 0.01 0.11 -0.01 -0.23 0.03 0.07 -0.02 0.02 -0.01 -0.01 -0.07 -0.13 0.21 -0.12 0.12 -0.03 -0.01 0.02 0.01 0.11 -0.13 -0.17 0.14 -0.18 -0.13 -0.00 0.01 -0.01 0.05 0.18 0.09 -0.01 -0.12 0.15 -0.01 0.01 0.01 0.01 -0.09 -0.05 -0.01 -0.02 0.20 0.00 -0.05 -0.01 0.02 0.01 -0.06 -0.00 -0.00 0.01 0.07 0.13 0.03 0.09 -0.07 0.05 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.02 0.01 0.01 0.06 -0.06 -0.11 0.01 -0.11 -0.03 0.18 0.19 0.03 -0.01 0.00 -0.00 0.03 -0.11 0.02 -0.01 -0.01 -0.00 0.05 0.01 -0.01 -0.01 -0.00 -0.00 0.10 0.02 0.08 0.16 0.01 0.11 0.00 -0.01 -0.02 -0.07 0.02 0.00 0.11 0.00 0.04 -0.01 0.00 -0.01 -0.01 0.06 0.04 0.10 -0.13 -0.02 -0.00 0.00 -0.01 0.00 0.01 0.07 0.04 -0.06 -0.04 0.01 -0.01 -0.01 -0.24 0.22 0.28 0.03 0.03 0.07 0.00 0.00 -0.00 0.01 0.01 0.04 0.00 -0.06 -0.02 -0.00 -0.01 0.01 -0.02 -0.03 0.05 0.02 0.08 -0.05 0.00 -0.01 -0.01 -0.18 0.30 0.27 0.00 -0.01 -0.01 -0.01 -0.02 -0.03 0.24 0.14 0.12 0.11 -0.12 0.15 -0.00 -0.01 -0.00 -0.04 0.28 0.15 0.02 0.02 -0.27 -0.04 0.00 -0.02 -0.03 -0.01 0.03 0.01 -0.00 -0.03 -0.08 -0.09 0.10 0.07 -0.04 0.00 -0.00 -0.02 -0.00 0.01 0.02 -0.01 0.01 -0.02 -0.01 -0.04 0.14 0.10 -0.02 0.38 0.11 -0.11 -0.04 -0.13 0.00 0.01 -0.01 -0.05 -0.12 0.06 0.00 0.01 0.00 -0.03 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.11 -0.00 -0.08 0.00 -0.00 -0.01 -0.02 -0.02 -0.01 0.02 0.01 -0.00 0.00 0.00 0.00 0.03 -0.10 -0.04 -0.08 0.08 0.02 0.00 -0.01 0.01 -0.00 0.02 -0.13 -0.06 0.13 0.07 0.01 -0.00 -0.01 -0.12 0.11 0.14 0.02 0.02 0.03 0.00 0.01 -0.00 -0.02 0.01 0.07 -0.00 -0.04 -0.01 0.00 -0.00 -0.02 0.03 0.01 0.02 -0.08 -0.02 0.02 0.01 -0.01 -0.01 -0.11 0.18 0.17 -0.04 0.06 0.05 -0.00 -0.01 -0.01 0.13 0.06 0.06 0.04 -0.05 0.06 0.00 -0.01 -0.00 -0.02 0.15 0.09 -0.06 -0.03 0.64 -0.03 0.01 -0.01 0.08 0.01 0.09 -0.00 -0.00 0.01 -0.14 -0.18 0.09 0.08 -0.05 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 0.00 0.01 -0.00 -0.02 0.02 0.04 -0.00 -0.08 -0.03 -0.14 -0.20 0.07 0.01 0.01 -0.01 -0.09 -0.06 0.05 0.00 0.01 -0.00 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.07 -0.02 -0.06 0.05 0.03 0.01 -0.01 0.01 0.01 0.10 -0.13 -0.06 0.09 0.14 -0.06 0.00 -0.00 0.00 -0.05 0.11 -0.01 0.01 -0.03 0.00 0.00 -0.01 -0.01 0.01 0.02 0.03 0.01 0.02 -0.00 -0.01 0.03 0.01 0.21 -0.31 -0.29 0.14 -0.15 -0.16 0.01 0.00 -0.00 -0.03 0.00 0.08 0.01 -0.05 -0.02 -0.00 -0.00 0.00 -0.01 -0.01 0.02 0.01 0.04 -0.02 -0.00 -0.02 -0.01 -0.02 0.08 0.01 -0.12 0.24 0.26 0.00 -0.01 -0.01 0.04 0.10 0.05 0.04 -0.08 0.09 0.00 -0.02 -0.01 -0.06 0.43 0.20 0.01 0.00 -0.13 -0.01 0.00 -0.00 -0.02 0.02 -0.15 0.00 0.00 -0.02 0.22 0.28 -0.19 -0.07 0.04 0.00 -0.00 0.00 -0.01 -0.01 0.05 0.02 -0.01 -0.01 0.01 0.01 0.09 0.02 0.01 0.01 0.01 0.18 0.38 -0.25 -0.01 -0.01 0.01 0.05 0.12 -0.06 0.00 -0.02 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.02 0.01 0.03 0.24 0.02 0.16 -0.01 0.00 0.01 0.06 -0.05 -0.02 0.10 0.09 -0.02 -0.00 -0.00 -0.00 -0.06 0.13 0.00 0.04 -0.07 -0.00 -0.01 0.00 -0.00 -0.00 0.06 -0.01 -0.01 -0.08 -0.02 -0.01 -0.01 0.01 0.22 -0.12 -0.23 -0.14 0.05 -0.00 0.00 -0.00 0.00 -0.03 -0.01 0.03 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 0.04 -0.06 0.02 0.01 -0.00 -0.01 -0.00 0.02 -0.04 -0.04 -0.07 0.11 0.11 0.01 -0.00 -0.00 -0.16 0.08 -0.01 -0.02 -0.06 0.06 0.00 -0.00 -0.00 -0.02 0.12 0.05 -0.01 -0.02 0.24 0.02 0.00 0.01 0.01 -0.05 0.34 0.00 0.00 -0.00 0.03 0.03 -0.04 -0.09 0.06 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.03 -0.01 0.03 0.04 -0.02 0.00 -0.00 0.00 -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 0.01 0.01 -0.01 0.01 0.00 0.00 0.01 0.03 0.00 0.00 -0.10 -0.03 -0.02 0.00 0.01 -0.00 0.10 -0.21 0.00 -0.03 0.04 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 0.12 -0.14 -0.15 -0.05 0.05 0.04 -0.00 0.00 -0.00 -0.03 0.00 0.04 -0.01 0.01 0.01 -0.02 -0.00 -0.00 -0.09 -0.08 0.06 0.05 0.03 -0.04 -0.01 0.01 -0.00 0.10 -0.06 -0.18 0.10 -0.03 0.06 -0.03 0.00 -0.01 0.80 0.08 0.26 -0.05 -0.03 0.02 0.00 0.00 0.01 0.01 -0.15 0.01 0.02 -0.03 0.03 -0.13 0.03 -0.05 -0.04 -0.02 0.04 0.00 0.00 -0.00 0.11 0.19 -0.02 0.48 -0.34 0.08 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.11 0.16 -0.03 -0.02 0.00 -0.00 0.01 -0.11 0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.02 -0.07 -0.01 -0.04 0.00 0.00 0.00 0.01 0.01 0.01 -0.09 -0.04 -0.01 -0.00 0.01 -0.00 0.04 -0.10 -0.01 0.02 -0.08 0.02 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.02 0.00 -0.01 0.00 0.02 0.03 0.05 -0.01 0.25 -0.39 -0.41 -0.00 0.00 -0.00 -0.02 0.00 0.05 -0.00 -0.02 -0.01 -0.00 0.01 -0.00 -0.05 -0.04 0.03 -0.00 -0.02 0.02 0.00 0.00 0.00 0.03 -0.04 -0.04 0.03 -0.04 -0.03 -0.00 0.01 0.01 0.08 -0.21 -0.07 -0.03 0.13 -0.16 0.00 0.00 -0.00 0.00 -0.02 -0.00 0.01 -0.02 0.06 -0.00 0.01 0.00 -0.02 -0.01 0.04 -0.00 -0.00 -0.00 -0.12 -0.16 0.09 0.02 -0.01 -0.03 -0.00 0.00 -0.01 -0.00 0.03 0.00 0.02 -0.01 0.00 -0.11 0.22 0.22 0.01 -0.05 -0.02 -0.29 -0.13 -0.24 0.01 0.01 -0.00 -0.02 -0.03 0.02 0.01 0.01 0.01 -0.07 0.01 0.01 -0.02 -0.01 -0.03 0.02 0.07 0.08 0.55 -0.03 0.41 0.00 -0.00 -0.01 -0.02 0.04 0.02 -0.05 -0.05 0.01 0.01 -0.00 0.01 0.02 -0.06 -0.03 -0.09 0.13 0.01 -0.01 0.00 -0.01 -0.01 0.05 0.10 0.06 0.04 -0.03 0.00 0.00 0.00 -0.06 0.08 0.08 0.09 -0.10 -0.10 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.03 0.04 -0.03 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.04 -0.05 -0.05 -0.00 0.00 0.00 0.03 -0.08 -0.03 0.02 0.06 -0.05 -0.00 0.00 0.00 0.01 -0.07 -0.03 -0.02 0.03 -0.12 0.00 0.00 0.00 0.02 -0.03 0.21 -0.00 -0.02 0.03 0.10 0.13 -0.07 0.04 -0.03 0.01 -0.01 -0.02 0.01 0.06 -0.05 -0.06 0.00 -0.02 0.00 -0.01 0.15 0.06 -0.06 0.56 0.16 0.04 0.18 -0.21 -0.01 -0.00 0.00 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.01 0.02 0.05 0.01 0.03 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.04 -0.05 0.04 0.02 0.00 -0.01 -0.01 0.00 -0.03 0.08 0.06 0.32 0.07 -0.00 -0.01 0.00 0.07 -0.00 -0.06 -0.07 0.04 0.01 0.00 -0.00 -0.00 -0.03 -0.00 0.03 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.05 0.00 -0.01 -0.00 -0.00 0.00 0.02 0.01 -0.03 0.01 0.00 0.02 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.05 0.11 -0.33 -0.01 0.01 -0.00 0.07 0.09 -0.46 0.00 0.00 -0.00 -0.03 -0.03 0.06 -0.03 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.02 -0.01 0.01 0.00 0.01 0.01 0.00 -0.00 -0.05 -0.10 0.05 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 -0.13 -0.07 -0.01 0.01 -0.00 -0.00 -0.09 0.20 -0.04 -0.00 -0.01 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 -0.02 0.01 0.02 -0.00 0.02 0.03 0.02 -0.01 -0.03 -0.53 -0.05 0.65 0.04 0.06 -0.04 0.01 0.00 -0.01 -0.17 -0.18 0.15 0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.02 0.02 0.01 -0.04 -0.07 0.01 0.00 -0.00 -0.10 0.06 -0.00 -0.17 -0.05 0.00 0.02 0.00 -0.01 0.02 -0.13 0.01 0.02 -0.02 -0.02 -0.07 0.14 0.01 -0.03 -0.02 0.03 0.00 0.00 0.00 0.03 0.05 -0.00 0.09 -0.06 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.05 -0.05 0.05 -0.01 0.01 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 0.01 -0.03 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.03 0.03 0.04 -0.01 -0.02 -0.01 -0.01 -0.05 -0.03 -0.01 0.67 0.30 0.08 0.00 0.00 -0.00 0.02 -0.04 -0.01 -0.02 0.02 0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.05 -0.02 -0.00 -0.00 -0.01 -0.11 0.11 0.13 -0.00 0.01 0.02 0.00 -0.00 -0.00 -0.08 -0.01 0.09 0.00 0.03 -0.00 0.00 0.00 -0.00 -0.11 -0.11 0.09 0.02 -0.01 -0.00 -0.02 -0.01 -0.00 0.11 -0.09 -0.21 -0.05 0.16 0.23 -0.01 0.01 0.00 0.01 -0.03 -0.01 0.29 0.03 0.07 0.00 0.01 0.00 0.04 -0.27 -0.11 0.02 -0.02 0.01 -0.01 0.03 0.00 -0.03 0.00 -0.06 0.00 0.00 0.00 -0.18 -0.26 0.12 -0.32 0.21 -0.03 0.00 -0.00 0.00 -0.03 -0.02 0.03 -0.02 -0.01 0.01 0.32 0.44 -0.32 0.01 0.04 0.02 0.18 0.19 0.01 0.02 0.00 -0.00 -0.02 0.02 0.01 0.01 -0.01 0.00 0.04 0.01 -0.01 -0.02 -0.01 0.00 0.17 -0.02 0.09 -0.03 0.04 -0.04 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.08 0.03 0.01 0.00 0.01 -0.00 0.04 -0.10 -0.02 -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.08 -0.02 -0.01 -0.00 0.01 0.02 0.10 0.00 0.12 -0.21 -0.24 -0.00 0.00 0.00 0.04 0.00 -0.05 -0.01 -0.00 0.01 0.00 0.01 -0.00 -0.12 -0.12 0.10 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.02 -0.01 0.01 0.01 0.00 0.01 0.00 -0.04 -0.05 -0.03 0.04 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.02 -0.02 0.02 0.01 -0.01 0.00 -0.03 0.00 -0.07 0.00 -0.01 -0.01 -0.02 -0.03 0.01 -0.04 0.03 -0.00 -0.00 0.00 -0.01 -0.01 0.03 0.01 -0.00 0.00 -0.00 -0.08 -0.16 0.06 0.01 -0.09 -0.02 0.03 0.05 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.04 -0.02 -0.05 -0.09 -0.00 -0.07 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.01 -0.01 0.01 0.02 -0.01 0.13 -0.26 -0.00 -0.04 0.03 0.02 0.00 -0.02 -0.00 -0.00 -0.02 -0.02 0.03 0.51 0.14 0.00 0.01 -0.00 -0.01 -0.05 -0.00 0.03 0.00 0.01 -0.01 0.01 0.00 0.11 0.02 -0.13 -0.02 -0.03 0.01 0.01 0.01 -0.01 -0.35 -0.36 0.29 0.05 -0.00 -0.02 0.00 -0.00 0.00 -0.01 0.04 0.02 -0.01 0.01 0.01 0.01 0.00 -0.00 -0.17 0.06 -0.02 -0.01 -0.06 0.07 -0.00 -0.00 0.00 -0.01 0.06 0.01 -0.02 0.03 -0.16 0.03 -0.03 0.00 -0.00 -0.07 0.32 -0.01 -0.02 -0.01 -0.05 -0.07 0.04 -0.08 0.05 -0.01 -0.00 0.00 -0.01 -0.03 0.04 0.03 -0.01 0.00 0.00 0.05 0.03 -0.07 0.02 -0.08 -0.02 0.07 0.06 0.03 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 0.00 0.03 -0.03 -0.01 -0.10 0.02 -0.09 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.11 0.05 0.01 -0.01 -0.02 0.00 -0.10 0.22 0.02 0.05 -0.04 -0.02 0.00 -0.02 -0.00 -0.00 -0.03 -0.02 0.03 0.54 0.15 -0.00 0.00 0.00 -0.02 0.03 0.03 0.06 -0.08 -0.08 0.00 -0.00 -0.00 -0.09 -0.01 0.10 0.01 0.03 -0.01 -0.01 -0.01 0.01 0.31 0.32 -0.27 -0.03 0.01 0.01 -0.00 -0.00 0.00 0.04 0.00 -0.07 0.01 0.03 0.07 -0.01 -0.00 0.00 0.16 -0.07 0.01 0.06 0.07 -0.06 0.00 0.00 -0.00 0.01 -0.07 -0.02 -0.07 0.09 -0.12 -0.02 0.02 -0.00 0.11 -0.03 0.35 -0.00 -0.00 -0.00 0.16 0.21 -0.11 0.28 -0.19 0.03 0.00 0.00 -0.00 -0.05 -0.00 0.05 0.01 -0.00 -0.01 0.28 0.50 -0.25 0.02 -0.09 -0.02 -0.20 -0.36 0.19 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.02 -0.00 -0.03 -0.01 0.01 -0.01 -0.01 0.00 0.14 -0.02 0.08 -0.02 0.02 -0.03 -0.00 -0.00 0.00 0.02 0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.03 -0.02 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.13 0.03 -0.01 -0.02 0.00 0.11 0.07 -0.09 -0.21 0.17 0.12 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.04 0.03 0.01 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 -0.03 0.03 0.01 0.03 -0.02 0.03 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.04 0.00 -0.00 0.00 0.01 -0.02 0.11 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.03 0.01 -0.00 0.00 0.00 0.02 0.03 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 0.04 -0.02 -0.01 -0.23 -0.09 -0.04 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 0.00 -0.00 -0.00 -0.02 -0.00 -0.02 0.01 0.00 0.11 -0.17 -0.16 0.04 -0.04 -0.04 0.00 -0.00 -0.00 -0.04 -0.01 0.04 0.00 0.03 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.13 0.21 0.22 0.01 -0.03 -0.06 -0.02 0.00 -0.00 -0.05 0.00 -0.01 0.76 0.03 0.23 -0.00 0.01 0.00 0.04 -0.30 -0.14 0.00 -0.00 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 0.01 -0.01 -0.02 0.00 0.00 -0.00 -0.02 -0.01 0.02 0.00 0.01 0.02 0.12 -0.14 -0.17 -0.03 0.00 -0.02 -0.16 -0.00 -0.19 -0.00 -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 0.06 -0.10 -0.08 -0.04 -0.13 0.06 -0.02 0.05 -0.02 0.20 -0.40 -0.21 0.11 -0.38 0.48 -0.00 -0.00 0.01 -0.04 -0.04 -0.14 0.10 0.05 -0.08 0.01 0.00 -0.02 0.01 -0.05 0.19 -0.23 -0.00 0.07 0.01 0.00 0.00 -0.04 -0.03 0.03 -0.05 -0.00 -0.04 0.00 0.00 0.00 -0.05 -0.01 -0.04 -0.00 -0.05 -0.01 0.01 -0.00 0.00 -0.04 -0.02 -0.07 -0.05 0.04 -0.00 -0.00 0.01 -0.01 -0.02 -0.07 0.04 0.08 -0.03 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.03 0.03 0.02 -0.02 0.00 -0.01 -0.05 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.05 -0.01 -0.00 0.00 0.03 0.01 -0.03 -0.01 -0.02 -0.04 -0.22 0.28 0.33 0.05 -0.01 0.03 0.30 0.00 0.36 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.03 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.02 -0.01 0.02 -0.01 0.03 -0.01 0.12 -0.24 -0.12 0.07 -0.23 0.29 0.01 0.00 -0.03 0.09 0.08 0.28 -0.21 -0.10 0.16 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.03 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.13 0.03 0.10 0.00 0.13 0.02 -0.01 0.00 -0.01 0.11 0.06 0.17 0.12 -0.11 0.01 -0.00 0.01 -0.00 -0.01 -0.03 0.02 0.03 -0.02 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.02 0.07 0.02 -0.03 -0.01 0.06 -0.01 0.03 0.04 0.01 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 0.01 0.07 -0.08 -0.10 0.01 0.00 0.01 -0.09 -0.00 -0.11 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.03 0.06 0.04 0.00 0.06 -0.03 -0.01 0.02 -0.01 0.07 -0.14 -0.07 0.04 -0.14 0.17 -0.00 0.00 0.01 -0.03 -0.02 -0.08 0.07 0.02 -0.05 -0.04 -0.01 0.05 -0.03 0.14 -0.53 0.67 0.01 -0.21 0.00 0.00 0.00 -0.02 -0.02 0.01 -0.02 0.00 -0.02 0.00 0.00 0.00 -0.05 -0.01 -0.03 -0.00 -0.05 -0.01 -0.01 0.00 -0.00 0.04 0.02 0.08 0.06 -0.05 0.00 0.00 0.00 0.00 0.02 0.02 -0.03 -0.03 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.01 0.01 -0.03 0.06 -0.08 -0.04 -0.02 0.00 -0.01 0.11 0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.05 0.01 -0.00 -0.00 -0.09 -0.02 0.08 0.00 0.01 0.03 0.15 -0.20 -0.23 -0.12 0.03 -0.07 -0.21 -0.00 -0.25 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.03 -0.01 -0.00 0.00 0.00 0.02 -0.03 -0.02 -0.02 -0.03 0.01 0.00 -0.00 0.00 -0.02 0.04 0.02 -0.01 0.04 -0.05 -0.00 0.00 -0.01 0.03 0.04 0.13 -0.08 -0.06 0.07 0.00 0.00 -0.01 0.00 -0.02 0.06 -0.08 -0.00 0.02 -0.00 -0.00 -0.00 0.02 0.02 -0.01 0.03 -0.00 0.02 -0.02 -0.02 -0.01 0.25 0.05 0.18 0.01 0.25 0.02 -0.03 0.01 -0.03 0.25 0.14 0.43 0.30 -0.27 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.03 -0.02 -0.01 -0.03 0.04 -0.01 0.00 -0.02 -0.04 -0.08 0.20 0.02 -0.03 -0.00 0.16 -0.02 0.08 0.04 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.03 0.00 -0.01 -0.03 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.01 0.00 -0.01 -0.02 -0.00 -0.02 -0.00 0.00 0.00 0.02 -0.03 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.01 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 -0.02 -0.03 -0.00 0.03 -0.01 -0.01 -0.00 0.01 -0.01 0.02 -0.08 0.11 0.00 -0.03 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.02 -0.03 -0.02 0.39 0.08 0.28 0.02 0.38 0.03 0.03 -0.01 0.02 -0.22 -0.12 -0.37 -0.26 0.23 -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 0.02 0.05 0.03 0.00 0.04 -0.05 -0.02 0.01 -0.03 -0.07 -0.14 0.35 -0.02 0.04 0.00 0.29 -0.03 0.13 -0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.02 0.04 -0.04 0.13 0.76 0.00 0.00 -0.00 -0.02 -0.01 0.02 0.00 0.00 0.01 0.03 -0.04 -0.04 -0.03 0.01 -0.02 -0.03 0.01 -0.06 0.00 -0.00 -0.01 -0.04 -0.01 0.01 0.03 0.02 -0.06 -0.37 -0.46 0.21 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.00 0.02 -0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.04 0.04 0.00 -0.00 -0.25 -0.07 0.23 0.00 0.00 0.01 0.05 -0.08 -0.07 -0.36 0.07 -0.21 -0.08 0.00 -0.11 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.01 0.01 -0.02 0.02 0.01 -0.00 -0.04 0.14 0.11 0.43 -0.35 -0.11 0.26 -0.00 -0.00 0.00 -0.00 0.01 -0.06 0.07 -0.00 -0.02 -0.01 -0.00 -0.00 0.05 0.07 -0.03 0.07 -0.00 0.05 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.10 -0.06 -0.19 -0.13 0.11 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 0.01 -0.02 0.01 -0.01 0.02 0.05 0.11 -0.25 -0.05 0.07 0.01 -0.20 0.02 -0.09 -0.08 -0.03 -0.01 0.00 -0.00 0.00 0.00 0.02 0.04 0.00 -0.00 -0.02 0.02 0.00 -0.00 -0.12 -0.03 0.11 0.00 -0.00 -0.00 -0.02 0.01 0.02 -0.17 0.03 -0.10 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.02 0.04 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.03 0.04 0.10 -0.08 -0.03 0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.01 0.02 0.03 0.02 -0.38 -0.07 -0.28 -0.02 -0.37 -0.03 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 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.03 0.02 0.00 0.01 -0.02 -0.02 0.02 -0.04 -0.10 -0.25 0.49 -0.02 0.03 0.00 0.41 -0.04 0.19 -0.03 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.02 0.04 0.01 -0.00 -0.01 -0.05 -0.00 0.00 0.32 0.09 -0.30 -0.00 0.01 0.02 0.11 -0.12 -0.17 0.48 -0.08 0.29 -0.14 -0.01 -0.15 0.00 -0.00 -0.00 -0.03 0.03 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.04 -0.06 -0.04 -0.03 -0.07 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.03 0.10 0.09 0.32 -0.27 -0.09 0.21 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.09 0.13 -0.06 0.13 -0.00 0.10 0.01 0.01 0.00 -0.07 -0.01 -0.05 -0.01 -0.08 -0.00 0.01 -0.00 0.01 -0.05 -0.03 -0.09 -0.06 0.06 -0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.02 0.02 -0.00 0.02 -0.00 -0.00 0.00 -0.00 0.03 0.02 0.01 0.02 -0.03 -0.00 0.00 -0.00 -0.01 -0.02 0.04 0.06 -0.09 -0.01 0.03 -0.00 0.02 0.09 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 -0.02 -0.00 0.01 -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 -0.01 -0.00 -0.04 0.07 0.06 0.02 0.09 -0.05 0.00 -0.00 0.00 -0.02 0.04 0.02 -0.01 0.04 -0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 0.05 0.02 -0.02 -0.00 -0.00 -0.00 0.02 0.02 -0.01 0.03 -0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.02 0.03 -0.05 -0.22 -0.48 0.43 0.52 -0.07 0.45 0.00 -0.00 -0.00 -0.03 0.05 0.01 0.01 0.03 -0.04 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.02 -0.01 -0.01 0.00 -0.00 0.02 0.01 0.00 -0.04 0.01 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.09 -0.01 0.08 -0.00 -0.00 -0.01 -0.04 0.04 0.06 -0.13 0.03 -0.07 0.05 0.00 0.05 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 0.04 0.00 0.20 -0.34 -0.26 -0.10 -0.41 0.24 0.00 -0.00 0.00 -0.03 0.04 0.02 -0.00 0.06 -0.06 -0.00 0.00 0.00 -0.01 -0.02 -0.05 0.04 0.02 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.03 0.04 -0.02 0.05 -0.00 0.03 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.05 -0.03 -0.05 -0.03 0.04 -0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.02 0.03 0.00 0.03 -0.00 -0.00 0.00 -0.01 0.04 0.02 0.01 0.03 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.01 0.28 -0.38 -0.06 -0.00 0.00 -0.00 0.44 0.17 0.04 0.01 -0.00 0.00 0.06 0.30 0.58 0.01 -0.01 -0.03 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.02 0.01 0.03 -0.01 -0.00 -0.01 0.02 0.00 0.02 0.03 -0.04 -0.04 -0.51 0.42 0.01 -0.00 -0.00 0.00 0.02 0.02 -0.01 -0.00 0.01 -0.00 0.03 -0.05 -0.04 -0.01 -0.06 0.04 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.03 -0.02 -0.07 0.06 0.02 -0.05 -0.00 -0.00 0.00 -0.00 0.01 -0.03 0.04 -0.00 -0.01 -0.01 -0.01 -0.01 0.07 0.12 -0.05 0.15 -0.00 0.11 -0.00 -0.01 -0.00 0.05 0.01 0.02 -0.00 0.06 0.02 -0.00 -0.00 -0.00 0.02 0.01 0.02 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.08 0.10 0.01 -0.01 0.00 -0.00 -0.12 -0.05 -0.01 -0.04 0.01 -0.00 0.02 0.09 0.16 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.04 -0.00 0.04 0.00 0.00 0.00 0.02 -0.03 -0.03 -0.05 0.02 -0.03 -0.03 -0.00 -0.04 0.01 -0.01 -0.01 -0.14 0.12 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.04 -0.00 -0.19 0.31 0.24 0.10 0.38 -0.22 -0.00 0.00 -0.00 0.02 -0.03 -0.02 -0.00 -0.05 0.06 0.00 -0.00 -0.00 0.01 0.01 0.03 -0.03 -0.01 0.02 0.01 0.00 -0.01 0.01 -0.03 0.13 -0.17 0.01 0.06 0.01 0.00 0.00 -0.07 -0.09 0.05 -0.10 -0.00 -0.08 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.05 -0.03 -0.06 -0.04 0.04 -0.01 0.00 -0.00 0.00 0.02 0.04 -0.04 -0.04 -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 0.27 -0.37 -0.05 -0.00 -0.00 -0.00 0.43 0.16 0.04 -0.00 0.00 -0.00 -0.03 -0.08 -0.13 -0.01 0.01 0.02 0.01 -0.00 -0.00 -0.04 -0.01 0.04 -0.00 -0.00 -0.00 -0.04 -0.03 0.04 -0.06 0.01 -0.04 0.03 0.01 0.02 -0.01 0.01 0.01 0.11 -0.10 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.07 0.11 0.07 0.04 0.13 -0.07 -0.00 0.00 -0.00 0.04 -0.06 -0.03 0.01 -0.05 0.07 -0.00 -0.00 0.01 -0.04 -0.03 -0.12 0.11 0.05 -0.08 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.04 0.00 0.02 -0.05 -0.03 -0.01 0.32 0.44 -0.20 0.49 -0.00 0.36 -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 0.04 0.02 -0.01 -0.00 0.00 -0.00 0.01 0.02 0.04 -0.04 -0.05 0.00 -0.05 -0.00 -0.02 0.01 -0.04 0.21 0.10 0.04 0.15 -0.18 0.00 -0.00 0.00 0.00 0.00 -0.01 0.03 -0.04 -0.00 -0.01 0.00 -0.00 0.05 0.02 0.00 0.00 -0.00 -0.00 0.01 0.02 0.02 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.02 0.01 -0.02 0.02 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.02 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.01 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.01 0.02 0.01 -0.00 0.01 -0.02 0.00 0.00 -0.00 0.01 0.01 0.04 -0.03 -0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.02 0.01 0.01 -0.13 -0.16 0.09 -0.19 -0.03 -0.17 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 0.00 0.09 0.05 -0.03 -0.01 0.00 -0.00 0.00 0.01 0.02 -0.02 -0.03 0.01 -0.02 -0.00 -0.06 0.01 -0.10 0.58 0.26 0.14 0.42 -0.49 0.00 -0.00 0.00 0.01 0.01 -0.03 -0.02 0.03 0.00 -0.02 0.00 -0.01 -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 0.00 0.00 -0.00 0.00 -0.08 0.01 -0.06 0.02 0.01 -0.03 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.05 0.05 0.07 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 0.02 -0.00 -0.00 0.00 0.04 0.02 -0.02 -0.02 -0.01 -0.02 -0.02 0.02 -0.05 -0.06 0.01 -0.01 0.29 -0.23 0.81 0.00 0.00 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 -0.01 0.02 0.00 0.22 -0.26 -0.06 0.01 0.02 0.02 0.00 0.00 -0.00 0.01 0.00 0.00 -0.04 -0.06 0.04 0.00 0.00 -0.00 -0.01 -0.01 0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.11 0.09 0.02 0.00 0.00 -0.00 0.04 -0.12 -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 0.01 -0.00 0.01 0.01 0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.02 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.11 -0.05 0.05 0.03 0.02 0.05 -0.01 0.01 -0.02 -0.03 0.00 -0.00 0.12 -0.09 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 0.01 -0.06 0.00 -0.01 0.00 -0.00 0.04 -0.04 -0.01 -0.58 0.68 0.15 -0.01 -0.04 -0.05 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.02 0.02 -0.00 -0.00 0.01 0.03 0.05 -0.11 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 0.00 0.01 -0.03 -0.03 -0.00 -0.00 -0.00 0.00 0.02 -0.05 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.02 -0.03 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.04 0.00 -0.04 0.74 -0.14 0.56 -0.09 -0.04 0.15 -0.13 0.11 0.08 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.03 -0.06 0.06 0.07 -0.07 -0.09 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.03 -0.03 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.03 0.02 0.04 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.04 -0.03 0.10 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.03 0.08 -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 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.03 0.03 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.01 0.03 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.03 -0.04 0.02 -0.02 -0.03 0.02 -0.04 -0.04 -0.00 0.02 -0.08 -0.36 0.62 0.60 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.03 0.01 -0.00 0.01 -0.10 0.03 -0.11 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.01 0.08 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.13 0.01 0.07 -0.08 -0.11 0.07 -0.00 0.01 0.00 -0.01 -0.02 0.05 0.03 -0.13 -0.11 0.00 0.00 0.00 -0.05 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.03 0.05 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 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 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 0.05 -0.09 -0.09 -0.01 -0.00 0.00 0.11 0.05 -0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.02 0.02 0.01 -0.05 0.00 -0.15 0.85 -0.07 0.06 -0.02 0.04 0.00 -0.00 -0.00 -0.06 0.07 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.01 0.01 0.01 -0.01 -0.00 0.01 0.00 -0.02 -0.03 0.08 0.05 -0.16 -0.13 0.02 0.00 0.01 -0.36 -0.01 -0.07 -0.01 -0.01 -0.00 0.03 0.02 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.09 0.05 -0.03 0.25 0.35 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.02 -0.00 0.02 0.04 0.02 -0.07 0.10 -0.10 -0.08 0.00 -0.00 -0.00 0.03 0.03 0.09 -0.02 -0.02 0.00 -0.01 -0.02 -0.03 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.06 0.10 0.09 -0.00 -0.00 0.00 0.04 0.02 -0.02 -0.01 -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 0.07 -0.02 0.08 0.03 0.06 -0.04 0.00 -0.02 0.00 -0.05 0.29 -0.02 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 0.00 0.00 -0.05 -0.01 -0.03 -0.01 -0.02 0.01 0.01 -0.04 -0.02 0.05 0.06 -0.16 -0.15 0.52 0.44 -0.02 0.00 -0.00 0.30 0.01 0.06 0.01 0.01 0.00 -0.02 -0.01 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.09 0.05 -0.02 0.44 0.61 -0.06 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.02 0.01 0.10 -0.02 0.08 0.04 0.02 -0.06 0.22 -0.22 -0.17 0.00 -0.00 -0.00 0.03 0.03 0.09 -0.03 -0.04 0.01 -0.02 -0.04 -0.06 0.00 0.00 0.00 -0.01 -0.02 0.02 0.02 -0.02 -0.03 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.06 -0.06 0.00 0.00 -0.00 -0.06 -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 0.01 0.01 0.00 0.00 -0.06 0.02 -0.07 -0.03 -0.08 0.05 -0.00 0.01 -0.00 0.04 -0.23 0.02 -0.02 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.00 0.02 0.00 0.01 -0.00 -0.00 0.02 0.01 -0.02 -0.03 0.09 0.08 -0.28 -0.23 0.01 -0.00 0.00 -0.13 -0.00 -0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.02 -0.00 0.01 -0.02 -0.00 -0.06 0.03 -0.02 0.17 0.24 -0.02 0.02 0.01 -0.03 -0.04 0.02 -0.06 0.03 -0.02 -0.00 -0.14 0.03 -0.11 -0.35 -0.18 0.57 -0.25 0.25 0.20 0.00 -0.00 -0.00 0.02 0.02 0.06 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 0.02 -0.02 -0.06 0.06 0.08 -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 -0.02 -0.01 -0.04 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.02 0.06 0.00 0.00 -0.00 -0.02 0.01 -0.02 -0.03 -0.06 0.04 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 0.01 0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 0.01 0.02 -0.05 0.01 -0.03 -0.02 -0.01 -0.00 -0.00 0.09 0.00 0.02 -0.02 -0.02 -0.00 -0.01 -0.00 0.01 -0.14 0.39 0.06 -0.01 -0.00 -0.00 0.02 -0.01 0.01 -0.05 -0.07 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.03 -0.00 0.02 0.01 0.01 -0.02 0.08 -0.08 -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 -0.01 -0.02 0.02 0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.05 -0.05 -0.01 -0.00 0.00 0.09 0.04 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.01 0.00 0.00 -0.09 0.03 -0.10 -0.04 -0.08 0.06 0.00 -0.01 0.00 -0.04 0.21 -0.02 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.02 -0.03 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.11 0.01 0.06 0.00 0.00 -0.00 -0.01 0.01 0.04 0.09 0.16 -0.32 0.08 -0.33 -0.26 -0.04 -0.00 -0.01 0.71 0.03 0.13 0.08 0.06 0.01 -0.04 -0.02 0.04 0.01 -0.03 -0.00 0.02 -0.03 -0.00 0.02 -0.01 0.01 -0.16 -0.22 0.02 0.01 0.00 -0.01 -0.02 0.01 -0.03 -0.03 0.03 0.02 0.03 0.00 0.03 -0.13 -0.07 0.22 0.45 -0.44 -0.34 0.00 0.00 0.00 -0.02 -0.02 -0.07 0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 0.04 -0.04 -0.06 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.04 0.02 -0.02 -0.03 -0.02 -0.05 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.03 -0.03 0.09 0.00 0.01 -0.01 0.02 -0.00 0.02 -0.05 -0.11 0.07 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 -0.02 -0.00 -0.01 -0.03 -0.04 0.02 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.02 0.08 0.07 0.00 0.00 0.00 -0.06 -0.00 -0.01 -0.08 -0.07 -0.01 0.00 0.00 -0.00 -0.16 0.46 0.07 0.02 0.01 0.00 0.02 -0.01 0.01 0.01 0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.06 0.03 -0.10 -0.03 0.03 0.02 -0.00 0.00 -0.00 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 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.03 -0.04 -0.05 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.02 0.06 -0.01 -0.00 -0.00 0.06 -0.02 0.07 0.02 0.05 -0.04 0.00 -0.00 0.00 -0.02 0.08 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.03 0.04 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.27 0.03 0.15 -0.05 -0.05 0.03 0.01 0.02 -0.04 -0.19 -0.30 0.65 -0.00 0.00 -0.02 -0.02 -0.00 -0.01 0.38 0.02 0.07 -0.29 -0.22 -0.04 -0.03 -0.01 0.03 -0.03 0.11 0.02 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.02 -0.01 0.00 -0.01 0.13 -0.03 0.10 0.13 0.06 -0.21 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 0.02 -0.03 -0.03 0.03 0.03 -0.06 -0.41 0.39 0.54 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.06 0.06 -0.00 -0.00 -0.00 0.03 0.01 -0.01 0.01 0.01 0.02 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.01 -0.04 0.02 0.05 -0.03 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.09 -0.02 -0.04 0.21 0.28 -0.18 -0.00 -0.00 0.01 0.02 0.03 -0.07 0.01 -0.03 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.09 -0.08 -0.01 0.00 -0.00 0.00 -0.09 0.27 0.04 -0.01 0.02 0.00 -0.02 0.01 -0.00 0.02 0.03 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.12 -0.06 0.20 0.05 -0.05 -0.04 0.01 0.00 0.01 -0.06 -0.06 -0.18 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.07 0.07 0.10 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.04 -0.02 0.02 0.70 0.30 -0.27 -0.08 -0.05 -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.04 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.02 -0.04 0.03 -0.00 0.01 -0.00 0.02 -0.12 0.01 0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.08 0.10 0.03 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.05 0.07 -0.04 0.00 0.00 -0.01 -0.03 -0.05 0.11 -0.01 0.03 0.02 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.12 -0.33 -0.05 0.02 -0.02 -0.00 0.04 -0.02 0.01 0.06 0.09 -0.01 -0.01 -0.01 0.02 0.01 -0.01 0.03 0.01 -0.01 -0.01 -0.03 0.00 -0.02 0.22 0.11 -0.36 -0.15 0.15 0.11 -0.00 0.00 0.00 -0.03 -0.03 -0.09 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 0.02 0.16 -0.15 -0.21 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.02 -0.02 -0.01 0.01 0.40 0.17 -0.16 -0.02 -0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.03 -0.03 0.08 -0.00 -0.01 0.00 0.01 -0.01 0.02 0.05 0.11 -0.07 -0.00 0.01 -0.00 0.02 -0.09 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.03 -0.00 -0.02 -0.10 -0.14 0.09 -0.00 -0.00 0.01 0.05 0.09 -0.19 0.01 -0.05 -0.04 0.00 0.00 0.00 -0.08 -0.00 -0.02 -0.12 -0.10 -0.02 0.01 0.00 -0.00 -0.17 0.48 0.08 -0.01 -0.01 -0.00 0.32 -0.21 0.09 0.05 0.08 -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 -0.04 -0.02 0.06 0.04 -0.05 -0.03 -0.02 0.01 -0.00 -0.01 0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.05 0.08 -0.08 -0.06 0.05 0.08 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.03 0.05 0.05 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.02 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.04 -0.04 -0.00 -0.03 0.53 -0.17 0.58 0.07 0.18 -0.13 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.09 0.01 0.05 -0.05 -0.07 0.04 -0.00 0.01 0.01 0.02 0.03 -0.06 0.04 -0.14 -0.11 -0.00 0.00 -0.00 0.00 0.00 0.00 0.14 0.11 0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.04 -0.05 -0.01 -0.08 0.05 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.01 0.06 0.03 -0.10 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.06 0.06 0.08 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.04 -0.04 -0.00 -0.00 0.00 0.06 0.03 -0.02 0.01 0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.02 -0.08 0.01 -0.00 0.01 -0.09 0.03 -0.10 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.08 0.10 0.02 0.01 0.01 0.02 -0.01 0.00 -0.01 0.16 0.02 0.09 -0.08 -0.10 0.06 0.01 0.00 -0.02 -0.07 -0.11 0.24 -0.02 0.07 0.05 -0.00 0.00 -0.00 0.01 0.00 0.00 0.67 0.50 0.09 -0.00 -0.00 0.00 -0.10 0.22 0.04 -0.01 -0.01 -0.00 0.06 -0.04 0.02 0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 0.01 -0.04 0.01 0.00 -0.02 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.02 -0.01 0.03 0.22 -0.21 -0.29 0.00 -0.01 -0.01 0.00 0.00 -0.02 -0.06 0.10 0.10 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.02 0.00 -0.01 0.04 -0.03 0.09 -0.00 -0.00 -0.00 0.06 -0.02 0.07 0.01 0.03 -0.02 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.03 0.01 0.00 0.00 0.01 -0.01 -0.03 0.03 -0.21 -0.03 -0.11 0.42 0.56 -0.35 0.00 0.01 -0.01 -0.05 -0.07 0.16 0.01 -0.04 -0.04 -0.01 -0.00 -0.00 0.10 0.01 0.02 0.15 0.11 0.02 -0.01 -0.00 0.01 -0.03 0.08 0.01 0.00 -0.00 -0.00 -0.34 0.21 -0.11 -0.10 -0.15 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.02 0.02 0.01 -0.03 -0.00 0.01 0.00 0.01 -0.03 -0.04 0.25 0.23 0.73 0.01 0.01 -0.00 0.01 0.01 0.02 -0.00 -0.00 0.00 0.02 0.04 -0.04 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.16 0.07 -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 -0.01 0.01 -0.02 0.17 -0.05 0.19 -0.05 -0.10 0.06 -0.00 0.01 -0.00 0.02 -0.11 0.01 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.01 0.01 0.02 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.02 0.01 -0.04 -0.03 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 0.01 0.00 -0.00 0.00 0.00 0.36 -0.24 0.09 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.06 0.00 -0.04 -0.05 -0.03 0.09 0.07 -0.07 -0.05 -0.03 0.01 -0.03 0.12 0.14 0.40 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.04 -0.08 0.08 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.02 0.00 0.00 0.01 0.05 0.02 -0.01 -0.12 -0.08 -0.18 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.03 0.04 -0.26 0.07 -0.27 0.21 0.46 -0.30 -0.00 0.00 -0.00 0.01 -0.05 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.02 0.02 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.07 -0.01 -0.04 -0.02 -0.03 0.02 0.00 0.00 -0.00 -0.01 -0.01 0.03 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 -0.01 -0.01 0.02 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.03 -0.05 0.05 0.04 -0.03 -0.05 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.03 -0.04 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.01 -0.03 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.02 -0.01 0.04 -0.00 -0.01 0.01 -0.03 0.01 -0.04 0.04 0.09 -0.06 -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 -0.02 -0.00 -0.00 -0.00 -0.01 -0.06 -0.02 -0.02 0.74 0.07 0.42 0.16 0.23 -0.16 -0.00 -0.01 0.01 0.06 0.10 -0.22 -0.03 0.09 0.08 0.01 -0.00 0.00 -0.19 -0.01 -0.03 -0.05 -0.04 -0.01 0.02 0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.53 -0.34 0.13 0.03 0.04 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.04 0.00 0.02 0.03 0.02 -0.06 -0.05 0.05 0.04 -0.04 0.02 -0.02 0.06 0.08 0.23 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.07 0.03 -0.03 0.11 0.08 0.17 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.03 -0.02 -0.05 0.03 -0.07 -0.22 -0.49 0.33 -0.00 0.00 -0.00 0.01 -0.04 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.07 0.01 0.04 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.03 0.12 0.10 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 0.01 0.00 0.00 -0.00 -0.00 0.04 -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.01 0.04 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.04 0.04 0.36 0.65 -0.62 0.04 -0.07 -0.06 -0.00 0.00 0.00 -0.00 0.02 -0.02 0.03 -0.06 -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.11 0.03 -0.12 0.02 0.03 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.00 0.02 0.01 0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -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 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.02 0.00 0.00 0.01 -0.08 0.02 -0.05 -0.06 -0.03 0.10 0.07 -0.07 -0.04 0.00 -0.00 -0.00 0.01 0.00 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.02 -0.04 0.09 0.04 -0.06 0.48 0.31 0.73 -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 -0.02 0.10 0.22 -0.15 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.03 -0.04 -0.01 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -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 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 0.01 -0.05 0.67 -0.20 0.71 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.06 -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 0.01 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 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -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 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.24 -0.04 0.17 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.04 -0.07 -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 0.03 0.02 -0.05 -0.07 0.01 -0.04 0.00 0.00 0.00 -0.42 -0.38 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.02 -0.00 0.02 -0.01 -0.03 -0.05 -0.04 0.03 -0.01 0.28 0.45 0.84 -0.00 -0.00 -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 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.01 -0.00 -0.04 -0.03 0.07 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.05 0.01 -0.03 -0.01 -0.07 -0.01 0.76 -0.12 0.56 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.00 0.01 -0.00 -0.00 0.00 0.13 0.12 -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 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.06 0.00 -0.00 0.99 -0.06 -0.04 -0.01 -0.01 0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.04 0.05 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.03 -0.06 0.11 0.38 0.91 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.00 -0.00 -0.00 -0.00 0.02 -0.06 0.07 -0.39 0.91 -0.03 0.06 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 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 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 270.15847 5965.12536 7613.01980 8001.06995 0.99998 8.0E-4 0.00699 -8.3E-4 0.99999 0.00367 -0.00699 -0.00367 0.99997 asymmetric 1 0.01452 0.01138 0.01083 0.30255 0.23706 0.22556 975500.8 51.65 61.51 63.33 64.97 66.26 74.30 80.50 84.55 86.97 89.73 97.96 106.99 115.88 122.37 128.74 141.24 174.72 203.93 218.51 226.77 247.31 253.06 259.30 272.17 280.08 289.84 294.09 307.78 311.90 314.84 326.38 327.99 332.25 353.18 356.99 365.23 371.73 373.85 376.61 385.21 389.91 406.69 409.08 417.62 432.88 439.45 594.66 608.23 615.41 638.62 643.16 648.10 667.60 732.38 748.57 768.76 785.59 801.45 806.09 823.25 849.29 883.74 916.11 927.91 930.80 952.19 967.37 978.18 989.19 1018.91 1027.41 1044.40 1074.37 1083.12 1092.73 1112.84 1127.09 1169.83 1216.14 1256.40 1272.62 1288.42 1301.73 1351.26 2304.12 2308.27 2311.25 2315.27 2318.63 2328.37 2331.77 2342.21 2357.83 2362.12 2380.74 2382.64 2385.07 2389.99 2398.31 4641.27 4660.48 4728.93 4774.86 4784.31 4841.14 4846.59 4913.81 4925.43 4954.99 4973.31 4993.76 4996.75 4998.19 5019.22 5041.59 5044.79 5090.62 5105.74 5109.92 5138.89 5163.25 5244.60 5503.78 5506.83 5506.88 5510.27 5511.41 5511.63 5521.54 0.371549 0.408851 0.409795 0.303431 -1146.856404 -1146.819102 -1146.818157 -1146.924522 256.558 127.961 223.863 0.000 0.000 0.000 0.889 2.981 42.680 0.889 2.981 34.251 254.781 122.000 146.931 1 0.594 1.982 5.474 2 0.595 1.980 5.127 3 0.595 1.980 5.070 4 0.595 1.979 5.019 5 0.595 1.979 4.980 6 0.596 1.977 4.754 7 0.596 1.975 4.595 8 0.596 1.974 4.498 9 0.597 1.973 4.443 10 0.597 1.972 4.381 11 0.598 1.969 4.208 12 0.599 1.966 4.035 13 0.600 1.962 3.878 14 0.601 1.960 3.771 15 0.602 1.957 3.671 16 0.604 1.950 3.490 17 0.609 1.931 3.077 18 0.615 1.912 2.780 19 0.619 1.901 2.649 20 0.621 1.894 2.578 21 0.626 1.877 2.415 22 0.628 1.872 2.372 23 0.629 1.867 2.326 24 0.633 1.855 2.236 25 0.635 1.847 2.183 26 0.638 1.838 2.120 27 0.640 1.834 2.093 28 0.644 1.820 2.010 29 0.646 1.815 1.986 30 0.647 1.812 1.969 31 0.651 1.800 1.904 32 0.651 1.798 1.895 33 0.653 1.794 1.872 34 0.660 1.770 1.763 35 0.662 1.766 1.744 36 0.665 1.756 1.704 37 0.667 1.749 1.673 38 0.668 1.746 1.663 39 0.669 1.743 1.650 40 0.673 1.732 1.611 41 0.675 1.727 1.590 42 0.682 1.706 1.517 43 0.683 1.703 1.507 44 0.686 1.692 1.472 45 0.693 1.672 1.412 46 0.696 1.663 1.387 47 0.777 1.441 0.915 48 0.785 1.421 0.883 49 0.789 1.410 0.866 50 0.803 1.374 0.815 51 0.806 1.367 0.805 52 0.809 1.360 0.794 53 0.822 1.330 0.755 54 0.864 1.230 0.636 55 0.875 1.205 0.609 56 0.889 1.174 0.578 57 0.901 1.148 0.553 58 0.913 1.124 0.530 59 0.916 1.117 0.523 60 0.928 1.091 0.500 61 0.948 1.052 0.467 62 0.974 1.002 0.426 0.214747e+32 31.331928 72.144430 0.180318e+17 16.256038 37.430911 0.100000e+01 0.000000 0.000000 0.174535e+09 8.241882 18.977634 0.682351e+07 6.834008 15.735885 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.5269 -2.9018 1.3706 4.7684 -104.5422 -122.5663 -88.6182 1.9067 13.1645 0.9991 0.7000 -17.3241 16.6240 1.9067 13.1645 0.9991 -12.4540 7.9133 43.3116 -44.9135 -56.2187 -24.9190 -23.6835 -24.9449 26.0631 11.0399 -2599.5840 -2415.9906 -1462.3166 53.7846 276.6620 71.7559 51.1110 184.2161 -16.9442 -1046.1436 -992.6201 -524.5155 -54.3824 -98.4911 -97.3564 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.2279528 2.335E-9 1.707E-5 0.3715486 0.4088512 -1146.8191016 -1146.8181574 -1146.9245218 16.8834137,-12.4726594,-4.4107544,4.0902753,3.282708,0.5252842 C01 [X(H30O15)] 0.6216695 -0.9049314 -1.5212436 -1.2029961 -0.0160378 -0.0356427 -0.0078109 -1.1815391 -0.0784292 -0.0436121 -0.0712957 -0.9353623 0.4871408 0.1957211 -0.1922761 0.1506332 0.5599057 -0.1551874 -0.1470525 -0.1510904 0.5932445 0.5339287 -0.2388435 -0.1980678 -0.2225361 0.7879284 0.2125633 -0.1728604 0.2017416 0.4885805 -0.7425586 0.0446731 -0.1872647 0.0606836 -1.1236169 -0.0231284 -0.2167555 -0.0321726 -1.0092241 0.324251 -0.0417404 0.0235363 -0.0401191 0.4201667 0.0109583 0.0789485 0.0347805 0.3469015 -1.2160441 -0.1831683 0.0982127 -0.2052684 -1.2037006 -0.0364181 0.1163751 -0.0524939 -1.3627566 0.8704459 0.3233925 -0.2142006 0.3668962 0.5904303 -0.0671482 -0.228292 -0.0762317 0.4493343 0.4488879 0.0495807 0.2548812 0.0337426 0.468403 0.1885805 0.2155646 0.189057 0.8684796 0.3221659 0.032862 -0.074929 0.0169467 0.6350837 -0.3083978 -0.062531 -0.2877475 0.8189015 -1.1286844 0.0486113 0.1168898 0.0375355 -1.0479105 -0.0791774 0.0920701 -0.0821102 -0.9721034 0.8014983 -0.1382127 0.1588193 -0.0842281 0.3933061 -0.0110165 0.1290881 -0.0223832 0.4386008 -0.8180672 0.0904591 0.2083823 0.1074056 -1.1198746 0.0741318 0.2106059 0.0566541 -0.9582863 0.3460935 0.0212335 -0.0410704 -0.0070211 0.415836 -0.0409908 -0.0845884 -0.0073532 0.3244392 -1.1265584 -0.1197658 0.0008391 -0.1237443 -0.9364673 0.0756026 0.0086992 0.0522635 -1.1121335 0.4111369 0.0341717 0.0140591 0.0117253 0.5700584 0.1949319 0.0071032 0.2456921 0.5950332 0.4856628 -0.116229 0.1485548 -0.101394 0.4922739 -0.2165957 0.1598125 -0.2630201 0.7342527 -1.0822171 0.0533642 -0.041085 0.0946139 -0.9123792 0.0872103 -0.0590187 0.0510078 -1.0919833 0.3880498 -0.0255712 -0.0267154 -0.0742653 0.3031122 -0.0384852 -0.0124612 0.0155527 0.4027271 0.6091863 -0.2336127 0.2508402 -0.220871 0.4874858 -0.2411467 0.2485304 -0.2541181 0.751192 -0.9890555 0.0881618 0.1666331 0.0586872 -1.1153844 0.1128506 0.1832782 0.1092229 -1.0622244 0.4637004 -0.060262 -0.2761073 -0.0499265 0.4481866 0.1391593 -0.2244938 0.1256923 0.8251953 0.7873992 -0.0644849 -0.0264648 -0.078351 0.4259056 0.0016883 -0.0661322 0.0094213 0.3410639 -1.1537339 -0.0605185 -0.1187297 -0.0654471 -1.1009397 -0.0446556 -0.1644057 -0.0695939 -0.8869632 0.3870036 -0.0180704 -0.032825 -0.0126239 0.4111718 -0.0175068 0.0257427 0.008453 0.2763726 1.0344499 0.3155254 0.1801777 0.3117131 0.5641908 0.086 0.152261 0.0755348 0.3439938 -1.0686549 -0.0981175 -0.0465042 -0.0704149 -1.2563404 0.1364466 -0.0472118 0.1356146 -1.0384102 0.7969882 0.2381009 -0.0827231 0.2521726 0.5177317 -0.0809933 -0.0278481 -0.0476297 0.3819563 0.3584429 0.0185389 0.0466613 -0.0102807 0.7265669 0.2471471 0.0065664 0.2283015 0.5768061 -0.8417181 0.0289205 -0.0236791 -0.0003155 -1.1547044 0.0015028 -0.0518498 -0.010729 -1.0666244 0.3236278 0.0999552 0.0178083 0.0682811 1.1084286 -0.0355894 0.0180488 -0.0371896 0.4122342 0.2977477 0.0039695 0.0306714 0.0649519 0.3741466 -0.0186374 0.0281859 0.0003884 0.4120127 -0.7664812 0.0262047 0.0133476 0.0695147 -1.166569 0.0178449 -0.0048239 0.0028016 -1.2215498 0.3260127 -0.0623885 0.0315293 -0.0361349 0.9376952 -0.369491 0.0177392 -0.3646562 0.6756715 0.2912836 0.0071038 -0.0096985 -0.0444213 0.3918111 0.0050354 0.0226799 0.0111013 0.4015194 -1.069334 0.1386166 0.0365047 0.1349262 -0.9782208 0.0416688 0.0361054 0.0617488 -1.18425 0.7679352 0.0769234 -0.2045674 0.0421373 0.4121195 -0.0701428 -0.2294864 -0.0848303 0.4986123 0.3716092 -0.1032282 -0.0905539 -0.0726093 0.6114611 0.2351698 -0.0545035 0.2532317 0.7111978 -1.3730207 -0.0120397 0.0751634 0.0040662 -0.9269962 0.0919204 0.0724237 0.0835987 -1.2598089 0.5404228 0.1645676 0.2192826 0.1320624 0.4648342 0.1715568 0.21116 0.2097216 0.7370451 0.62364 -0.2699417 0.1568777 -0.2466183 0.651518 -0.2279189 0.1706669 -0.2612563 0.5504027 -0.882244 0.0743157 0.2448291 0.0592874 -1.1016295 0.0955086 0.2310194 0.0706793 -0.9206702 0.7078916 -0.0241917 -0.3338463 -0.0202498 0.3860853 -0.0352346 -0.3754427 -0.04871 0.7141154 0.6242508 -0.1436414 -0.2293384 -0.1846692 0.4587371 0.1838348 -0.2056115 0.1470872 0.6163832 0.3453341 -0.0707364 -0.0620215 -0.0531489 0.3881706 -0.0455405 -0.0104886 -0.0177608 0.3551192 0.3851807 -0.0741711 0.0538097 -0.0455128 0.9235216 -0.1694812 0.0467945 -0.136976 0.4409622 168.9391105|0.3469205|168.570439|-1.3249281|-0.9458634|169.246449 -0.000006459 0.000006146 -0.000023958 0.000030609 -0.000012076 0.000025178 -0.000001764 -0.000024252 0.000009282 0.000001108 0.000006863 -0.000033561 -0.000020941 -0.000002827 -0.000000936 -0.000030814 0.000029097 -0.000018780 0.000021946 -0.000003373 -0.000012116 0.000007933 0.000007940 0.000035065 0.000003573 -0.000019826 0.000005678 0.000014685 0.000025206 0.000000442 -0.000013698 -0.000013165 -0.000016008 -0.000008266 0.000002759 -0.000034542 0.000018887 -0.000004823 0.000004668 -0.000018320 0.000033417 0.000027925 0.000015763 -0.000023125 -0.000014852 -0.000004471 0.000007490 -0.000022414 0.000002567 -0.000066190 -0.000024590 0.000003342 0.000021892 0.000004525 -0.000003399 0.000019370 -0.000004555 -0.000014959 0.000005270 -0.000019648 0.000000089 0.000009887 0.000028826 0.000019931 -0.000009484 0.000004201 -0.000006226 -0.000005651 0.000007418 0.000002958 0.000006998 -0.000008616 -0.000000179 0.000002130 0.000000303 -0.000027702 0.000019685 -0.000011402 0.000018369 0.000001958 0.000019100 -0.000005608 -0.000008381 -0.000026664 0.000016259 -0.000024466 0.000008058 0.000002094 0.000019149 0.000005049 -0.000004499 -0.000005865 0.000012465 0.000016297 0.000008892 0.000009819 -0.000006146 -0.000019059 0.000021250 -0.000009817 0.000006978 -0.000005909 0.000001482 0.000020947 -0.000020463 -0.000019051 -0.000008578 0.000020038 0.000004188 0.000002581 0.000000481 0.000035481 0.000032553 -0.000015018 -0.000024588 -0.000012708 0.000001493 0.000014676 -0.000023175 0.000019144 -0.000005450 -0.000021607 -0.000002740 0.000004308 0.000003285 -0.000003010 -0.000026438 0.000021577 0.000018093 0.000011068 -0.000001369 0.000021677 -0.000008817 -0.000012069 0.000009605 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3061,.0323,3.6383;0,.6605,-2.989;-.187,2.7425,-2.5853;.0378,2.6456,2.6899;.9218,3.0227,2.5993;-.7615,1.7744,.185;-1.6544,1.415,.4123;-.2331,2.4195,1.7726;-.8673,2.4299,-.5403;.5198,1.3432,-3.4587;1.4308,1.1743,-3.1434;-.6034,3.4275,-2.0123;-1.4262,3.6638,-2.4579;-3.095,.5473,.8884;-3.2313,-.1095,.1791;-2.7668,.0089,1.6404;-3.0715,-1.5793,-.9771;-3.7224,-2.067,-1.4958;-2.6646,-2.2241,-.3488;2.0562,1.2868,.2295;2.353,1.0595,-.6775;1.0936,1.4241,.1679;-2.0187,-1.1003,2.8531;-2.5333,-1.333,3.6357;-1.1765,-.6965,3.1873;-.6423,-.4228,-1.6398;-1.545,-.7964,-1.56;-.6165,.3043,-.9859;2.9494,.5692,-2.3014;2.9813,-.4176,-2.3;3.8342,.8661,-2.5472;2.0427,-.9709,1.7037;2.1487,-.1386,1.1747;2.9344,-1.2516,1.9442;-1.6838,-3.0485,.8678;-.7876,-2.9046,.5025;-1.761,-2.4118,1.6089;.8104,-2.38,-.352;1.2575,-1.936,.4013;.3156,-1.6623,-.8113;2.9077,-2.1668,-2.1723;2.1698,-2.3321,-1.5427;.9615,-.359,3.0233;2.6136,-2.5456,-3.01;.2296,.9682,3.3511; Gaussian 16 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(H30O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj 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 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3061,.0323,3.6383;0,.6605,-2.989;-.187,2.7425,-2.5854;.0378,2.6456,2.6899;.9218,3.0227,2.5993;-.7615,1.7744,.185;-1.6544,1.415,.4123;-.2331,2.4195,1.7726;-.8673,2.4299,-.5403;.5198,1.3432,-3.4587;1.4308,1.1743,-3.1434;-.6034,3.4275,-2.0123;-1.4262,3.6638,-2.4579;-3.095,.5473,.8884;-3.2313,-.1095,.1791;-2.7668,.0089,1.6404;-3.0715,-1.5793,-.9771;-3.7224,-2.067,-1.4958;-2.6646,-2.2241,-.3488;2.0562,1.2868,.2295;2.3529,1.0595,-.6775;1.0936,1.4241,.1679;-2.0187,-1.1003,2.8531;-2.5333,-1.333,3.6357;-1.1765,-.6965,3.1873;-.6423,-.4228,-1.6398;-1.545,-.7964,-1.56;-.6165,.3043,-.9859;2.9494,.5692,-2.3014;2.9813,-.4176,-2.3;3.8342,.8661,-2.5472;2.0427,-.9709,1.7037;2.1487,-.1386,1.1747;2.9344,-1.2516,1.9442;-1.6838,-3.0485,.8678;-.7876,-2.9046,.5025;-1.761,-2.4118,1.6089;.8104,-2.38,-.352;1.2575,-1.936,.4013;.3156,-1.6623,-.8113;2.9077,-2.1668,-2.1723;2.1698,-2.3321,-1.5427;.9615,-.359,3.0233;2.6136,-2.5456,-3.01;.2296,.9682,3.3511; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF349/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 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=41/1,2,3 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 15-agua/ CONF349 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 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 525 A 510 A 510 780 525 75 75 1456.1256166804 45 45 45 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=141 Grimme-D3(BJ) -0.0491421177 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 6.664018 0.000000 6.806001 2.129066 0.000000 2.792984 6.016014 5.280919 0.000000 3.225079 6.136738 5.309310 0.965339 0.000000 4.012466 3.448914 2.990297 2.769947 3.197026 0.000000 4.020244 3.856832 3.591804 3.092829 3.742303 0.988977 0.000000 3.077311 5.081544 4.370196 0.982797 1.543114 1.793334 2.208981 0.000000 4.958348 3.143171 2.177810 3.361503 3.661880 0.983257 1.598995 2.398301 0.000000 7.220122 0.978142 1.794608 6.303455 6.299345 3.886356 4.440306 5.393709 3.409126 0.000000 6.968545 1.528078 2.321260 6.175200 6.054342 4.030470 4.713749 5.337342 3.692473 0.978670 0.000000 6.654546 2.995709 0.985331 4.809694 4.874147 2.754172 3.321570 3.934336 1.797672 2.774524 3.239498 0.000000 7.304175 3.366929 1.549343 5.447866 5.612395 3.316031 3.653313 4.568240 2.347773 3.189668 3.850979 0.965007 0.000000 4.403917 4.962514 5.034119 4.178889 5.018976 2.728731 1.747879 3.532343 3.247770 5.709404 6.093610 4.787194 4.867763 0.000000 4.949713 4.590372 5.004402 4.958086 5.737381 3.106352 2.205768 4.233763 3.543276 5.423513 5.867121 4.921180 4.944694 0.976287 0.000000 3.665360 5.432512 5.655587 3.990002 4.858936 3.042537 2.173309 3.499767 3.771625 6.211545 6.470259 5.450640 5.652611 0.981404 1.537980 0.000000 5.941972 4.301083 5.439248 6.400385 7.065156 4.234875 3.592294 5.622100 4.596007 5.253286 5.705002 5.677220 5.691253 2.828941 1.876817 3.076757 0.000000 6.855252 4.850352 6.067801 7.339512 8.015272 5.133100 4.476832 6.556422 5.411758 5.786099 6.306917 6.339091 6.248279 3.593400 2.622604 3.880491 0.964659 0.000000 5.460103 4.732001 5.983960 6.344334 7.005904 4.460334 3.852615 5.654659 4.992629 5.704114 6.010962 6.241414 6.375661 3.065333 2.251918 2.992223 0.987963 1.568203 0.000000 4.031873 3.870273 3.882620 3.460323 3.149028 2.859923 3.717283 2.984184 3.232036 3.995779 3.432284 4.084357 4.999911 5.245559 5.469026 5.185124 5.996998 6.900510 5.911535 0.000000 4.885743 3.322420 3.594992 4.383504 4.079228 3.309793 4.168049 3.813229 3.502396 3.342993 2.635207 4.016118 4.922787 5.691628 5.769278 5.717427 6.039709 6.881480 6.005454 0.981026 0.000000 3.821045 3.427183 3.310428 2.994509 2.914906 1.887994 2.758872 2.307850 2.314818 3.672614 3.337872 3.412758 4.273224 4.339665 4.588864 4.367444 5.261221 6.176616 5.263138 0.974253 1.560002 0.000000 2.702544 6.427012 6.906468 4.276400 5.070522 4.118681 3.523817 4.091988 5.030205 7.228637 7.282304 6.795267 7.159204 2.780859 3.098851 1.805713 4.001068 4.769743 3.454339 5.402408 6.020065 4.823836 0.000000 3.150631 7.367406 7.798488 4.830630 5.655509 4.970210 4.326047 4.779450 5.862908 8.173933 8.243646 7.634537 7.957715 3.376187 3.732613 2.415822 4.650561 5.318312 4.084978 6.287203 6.942857 5.725545 0.965080 0.000000 1.712500 6.432189 6.791882 3.590501 4.310609 3.910464 3.519617 3.549721 4.874906 7.155898 7.097668 6.661176 7.137394 3.242312 3.690048 2.327979 4.659689 5.503767 4.129403 4.809620 5.520651 4.332121 0.991941 1.564318 0.000000 5.381905 1.845670 3.334791 5.350199 5.682334 2.858670 2.934796 4.459968 3.065567 2.788791 3.018216 3.868442 4.240779 3.653599 3.179562 3.931943 2.770900 3.494459 3.000153 3.701236 3.477773 3.113333 4.747654 5.677622 4.864343 0.000000 5.579843 2.559652 3.926761 5.693327 6.162013 3.204311 2.965105 4.813428 3.450781 3.527906 3.904687 4.351071 4.551227 3.194121 2.517882 3.519067 1.811938 2.521885 2.181458 4.528822 4.406453 3.857283 4.448842 5.315952 4.762612 0.980175 0.000000 4.723130 2.125905 2.947504 4.406993 4.755025 1.885019 2.065394 3.497250 2.186269 2.912894 3.098934 3.287533 3.756160 3.116921 2.892389 3.407204 3.094406 3.940809 3.315605 3.096079 3.079432 2.347323 4.321717 5.264414 4.327939 0.978248 1.550196 0.000000 6.523386 3.029832 3.826373 6.140167 5.843604 4.626568 5.410540 5.490880 4.596820 2.800195 1.838823 4.569002 5.361583 6.834471 6.694386 6.966158 6.528531 7.218864 6.567492 2.778151 1.798075 3.205038 7.351062 8.302248 6.982208 3.784464 4.755423 3.809999 0.000000 6.528542 3.244180 4.483990 6.553365 6.330947 4.998834 5.674861 5.913387 5.100630 3.240600 2.376876 5.264748 6.009037 6.929496 6.696044 6.982092 6.303646 6.950288 6.240671 3.187355 2.282361 3.611920 7.212508 8.153570 6.890269 3.683212 4.601949 3.897644 0.987375 0.000000 7.169552 3.865027 4.437660 6.708673 6.294404 5.423116 6.259732 6.133291 5.345772 3.470384 2.495356 5.151640 5.958751 7.740739 7.635864 7.864166 7.492328 8.173842 7.524412 3.323905 2.393162 3.897954 8.202844 9.143823 7.773928 4.745945 5.716151 4.749938 0.965133 1.560995 0.000000 2.786579 5.371716 6.095655 4.251075 4.243559 4.207958 4.585734 4.084003 5.006878 5.858637 5.335803 6.336886 7.129656 5.419042 5.557187 4.908776 5.806236 6.683934 5.286011 2.696356 3.144620 2.999219 4.222937 4.980376 3.555324 4.323062 4.853187 3.991394 4.385695 4.149245 4.965246 0.000000 3.081151 4.753045 5.281485 3.808348 3.678159 3.620515 4.178282 3.546033 4.316721 5.129952 4.570024 5.517933 6.358687 5.296076 5.471422 4.939723 5.827184 6.731985 5.462361 1.712762 2.215335 2.137441 4.594428 5.422553 3.926692 3.973880 4.642608 3.536968 3.636634 3.583915 4.207464 0.991847 0.000000 3.380322 6.050080 6.798059 4.912756 4.769708 5.090360 5.524041 4.851813 5.846304 6.461734 5.833529 7.075610 7.909134 6.380052 6.514365 5.846862 6.686771 7.537371 6.128003 3.186676 3.542978 3.701788 5.038105 5.723995 4.330557 5.130817 5.705392 4.859552 4.619584 4.325610 5.046471 0.965293 1.564753 0.000000 4.596336 5.609582 6.906599 6.221499 6.829883 4.957581 4.486812 5.729062 5.715100 6.546851 6.604815 7.169409 7.495461 3.862866 3.392202 3.334283 2.736446 3.272009 1.766880 5.761040 5.963133 5.311159 2.801647 3.365330 3.342071 3.777217 3.314451 3.977024 6.678198 6.222484 7.578597 4.347649 4.821751 5.071019 0.000000 4.433363 5.051827 6.464185 6.022558 6.515540 4.689860 4.406651 5.501526 5.436045 5.953445 5.903549 6.815644 7.232948 4.169970 3.726797 3.701440 3.026868 3.647986 2.170462 5.072405 5.193209 4.731688 3.208862 3.915897 3.497934 3.281754 3.044987 3.541400 5.821876 5.314430 6.699257 3.632195 4.089517 4.320222 0.978443 0.000000 3.790094 5.803555 6.829090 5.475578 6.141068 4.533336 4.010980 5.069779 5.372129 6.706869 6.755209 6.967785 7.318736 3.324918 3.083346 2.621537 3.016280 3.688524 2.164330 5.491179 5.848246 4.993959 1.826114 2.422408 2.403208 3.970119 3.563424 3.926843 6.809150 6.461041 7.702218 4.068595 4.543264 4.848228 0.980059 1.553859 0.000000 4.690004 4.105529 5.676580 5.925167 6.157343 4.474247 4.589325 5.351525 5.097618 4.857762 4.561845 6.203432 6.779760 5.035914 4.666191 4.740648 4.012690 4.685405 3.478533 3.916068 3.783597 3.849966 4.462606 5.308359 4.394260 2.756750 3.084663 3.105390 4.131980 3.515404 4.949701 2.780299 3.024174 3.325238 2.855888 1.886552 3.233951 0.000000 3.906103 4.451626 5.735439 5.264688 5.434465 4.229699 4.439417 4.803448 4.945934 5.118203 4.719017 6.168877 6.836265 5.034706 4.851288 4.638248 4.557134 5.330602 4.003520 3.324722 3.367015 3.372210 4.176540 5.019485 3.901685 3.172540 3.605404 3.233389 4.054996 3.545933 4.815061 1.801206 2.150126 2.379326 3.179057 2.265117 3.285711 0.982051 0.000000 4.761301 3.199608 4.775196 5.558187 5.826586 3.736776 3.853246 4.861959 4.268321 4.010372 3.837864 5.309661 5.840571 4.404900 3.996555 4.278422 3.392192 4.115558 3.067717 3.579094 3.402471 3.330189 4.380927 5.291490 4.375840 1.772103 2.184498 2.183248 3.759929 3.297166 4.667666 3.128251 3.102532 3.823553 2.956091 2.118087 3.275836 0.985378 1.559586 0.000000 6.735496 4.137030 5.818041 7.418671 7.324169 5.878165 6.349941 6.816271 6.167954 4.435814 3.779870 6.606769 7.270488 7.264048 6.888314 7.174309 6.125748 6.665271 5.863329 4.291967 3.598770 4.654279 7.117695 8.002008 6.896980 3.990918 4.698857 4.464686 2.739395 1.755373 3.193392 4.147454 3.986469 4.217073 5.576859 4.621020 6.012806 2.785185 3.065872 2.970847 0.000000 5.992148 3.969258 5.691508 6.872954 6.883860 5.332952 5.699706 6.272382 5.736280 4.460994 3.924684 6.409624 7.051163 6.474485 6.089038 6.323183 5.325243 5.898364 4.980802 4.031067 3.504942 4.265355 6.195485 7.066316 6.020483 3.400374 4.019728 3.876019 3.098508 2.212904 3.742676 3.522456 3.492236 3.729650 4.601533 3.640982 5.038842 1.807719 2.183597 2.102786 0.983955 0.000000 0.980242 6.173474 6.511193 3.161063 3.408477 3.946693 4.099695 3.272830 4.880724 6.716264 6.371818 6.491816 7.206046 4.672731 5.072651 3.993517 5.810106 6.728911 5.291285 3.422314 4.200508 3.368991 3.075679 3.679318 2.170697 4.931636 5.242123 4.359312 5.758954 5.693889 6.386214 1.812431 2.208021 2.419448 4.344735 3.986689 3.691369 3.937007 3.074014 4.101157 5.835226 5.118694 0.000000 7.494654 4.136451 5.999039 8.128512 8.082904 6.345224 6.753829 7.458560 6.555302 4.439334 3.905723 6.857283 7.428434 7.573106 7.090006 7.556542 6.114539 6.532020 5.919878 5.049001 4.301772 5.307404 7.610769 8.492727 7.496110 4.121241 4.738819 4.759442 3.212019 2.273217 3.652948 5.002435 4.849891 5.130440 5.810192 4.902527 6.363126 3.216174 3.721217 3.300868 0.965263 1.547778 6.626570 0.000000 0.981908 6.351743 6.209938 1.813235 2.294681 3.414197 3.519357 2.193614 4.299131 6.826252 6.607916 5.958868 6.614526 4.158750 4.816795 3.581266 6.010025 6.951493 5.679435 3.630735 4.554846 3.329704 3.095358 3.606982 2.185200 5.254012 5.511929 4.468364 6.285459 6.436388 6.913276 3.124345 3.105572 3.771352 5.095237 4.914039 4.292088 5.026040 4.265264 4.924637 6.892619 6.213301 1.550678 7.648139 0.000000 H30O15 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 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.6499,.3094,-2.497;-2.4708,.381,1.7671;-2.438,2.488,1.4638;1.5728,2.8286,-1.9546;.9057,3.0191,-2.6259;.253,1.9036,.2982;1.0289,1.7445,.8905;1.059,2.5765,-1.1556;-.3755,2.4987,.7648;-3.2759,.9056,1.5847;-3.5382,.5942,.6947;-1.8723,3.2893,1.3699;-1.7771,3.6379,2.2647;2.4208,1.2165,1.8064;2.0712,.5365,2.4135;2.9161,.6955,1.1382;1.3503,-1.0353,3.143;1.4233,-1.4339,4.0184;1.7222,-1.6865,2.4998;-1.2926,.8899,-1.8842;-2.1352,.5286,-1.535;-.7953,1.2034,-1.1072;3.6303,-.422,-.0871;4.592,-.4797,-.1449;3.3153,-.1589,-.9902;-.8291,-.4319,1.5418;-.16,-.6163,2.234;-.4706,.333,1.0484;-3.6666,-.2124,-.9528;-3.4976,-1.1827,-.8834;-4.4403,-.1145,-1.5213;.2957,-1.18,-2.5648;-.3385,-.435,-2.4017;.0076,-1.6038,-3.3828;2.2475,-2.5702,1.0628;1.4025,-2.6349,.5738;2.7524,-1.866,.6049;-.3139,-2.5067,-.1987;-.0741,-2.0903,-1.0552;-.5151,-1.7519,.4019;-3.023,-2.8662,-.736;-2.0612,-2.8289,-.5316;1.8539,-.2547,-2.5923;-3.4319,-3.2559,.0467;2.2936,1.2125,-2.3504; 0.3025487 0.2370598 0.2255625 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= 510 RedAO= T EigKep= 1.27D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 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= 523 523 523 523 523 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22795278173 -1147.22795278 1 1.143311888330e+03 -5.623377143919e+03 1.876746062942e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 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. PT236.700S Thu Jul 18 22:51:08 2024 -19.12932 -19.12847 -19.12819 -19.12662 -19.12564 -19.12279 -19.12269 -19.12255 -19.12199 -19.11696 -19.11683 -19.11484 -19.11438 -19.11340 -19.11262 -1.03041 -1.02403 -1.02148 -1.02007 -1.01788 -1.01308 -1.01226 -1.00884 -1.00800 -1.00295 -0.99932 -0.99585 -0.99349 -0.99148 -0.98880 -0.54527 -0.54451 -0.54042 -0.53904 -0.53524 -0.53386 -0.53234 -0.53070 -0.52878 -0.52815 -0.52435 -0.52291 -0.52081 -0.51990 -0.51754 -0.44171 -0.43784 -0.42747 -0.42643 -0.41933 -0.41317 -0.40305 -0.40118 -0.39892 -0.39388 -0.39060 -0.38606 -0.37977 -0.37582 -0.36479 -0.33037 -0.32921 -0.32834 -0.32727 -0.32681 -0.32578 -0.32248 -0.32109 -0.32011 -0.31872 -0.31864 -0.31655 -0.31577 -0.31534 -0.31412 -0.00189 0.02732 0.03453 0.03489 0.05811 0.05951 0.06568 0.07815 0.08266 0.09030 0.09934 0.10731 0.10957 0.11207 0.11651 0.11770 0.12146 0.13404 0.13654 0.13983 0.14805 0.15127 0.15395 0.15492 0.16318 0.16531 0.17172 0.17440 0.17866 0.18014 0.18559 0.18681 0.19249 0.19496 0.19933 0.20208 0.20939 0.21383 0.21469 0.22325 0.22566 0.22932 0.23232 0.23552 0.24270 0.24610 0.24891 0.25349 0.25546 0.25813 0.26161 0.26486 0.26928 0.27253 0.27366 0.27587 0.27943 0.28257 0.28404 0.28843 0.28954 0.29091 0.29548 0.29911 0.30147 0.30472 0.30935 0.31760 0.32192 0.32667 0.32856 0.34460 0.35165 0.36523 0.38685 0.39234 0.40228 0.40923 0.42265 0.43563 0.44564 0.46192 0.46509 0.47033 0.48113 0.48794 0.49478 0.50256 0.51546 0.52046 0.53182 0.53847 0.55079 0.55233 0.55460 0.56272 0.56636 0.57372 0.57962 0.58235 0.58717 0.59224 0.59914 0.61043 0.62339 0.62408 0.63320 0.64373 0.65089 0.65353 0.65985 0.67338 0.67921 0.68677 0.69586 0.70195 0.71158 0.72015 0.73192 0.74006 0.93507 0.95070 0.95298 0.96460 0.97525 0.97655 0.98538 0.99355 0.99730 1.00103 1.01096 1.01192 1.02139 1.02225 1.03353 1.03982 1.04481 1.04807 1.05204 1.05431 1.06960 1.07301 1.07441 1.07827 1.08679 1.09050 1.09659 1.09981 1.10618 1.10640 1.11195 1.11403 1.11928 1.12861 1.13510 1.13792 1.14598 1.14830 1.15296 1.16027 1.16886 1.18027 1.18710 1.20013 1.21952 1.24936 1.25184 1.26091 1.26266 1.27701 1.28680 1.29419 1.29945 1.30307 1.31083 1.31686 1.32264 1.32773 1.33599 1.34528 1.35195 1.35835 1.36973 1.37739 1.37845 1.38294 1.38941 1.39737 1.41004 1.41743 1.42178 1.43158 1.43544 1.44662 1.45109 1.45992 1.46950 1.47726 1.48228 1.49545 1.49820 1.51053 1.52227 1.53795 1.54232 1.55459 1.56066 1.57349 1.58558 1.58787 1.60353 1.60736 1.61765 1.62724 1.63022 1.63482 1.64499 1.66170 1.66373 1.66878 1.67167 1.68301 1.69757 1.71473 1.71866 1.73645 1.74572 1.75414 1.75661 1.76539 1.77607 1.79292 1.79332 1.80359 1.81572 1.83484 1.83711 1.84717 1.86785 1.88869 2.02609 2.03417 2.03724 2.04045 2.05035 2.06329 2.06569 2.16087 2.19117 2.23765 2.24840 2.27480 2.28377 2.29187 2.30611 2.32584 2.33329 2.34217 2.34999 2.36740 2.36948 2.39319 2.40401 2.42968 2.44740 2.45786 2.47684 2.49789 2.51587 2.52929 2.55828 2.58117 2.58403 2.59060 2.60035 2.61176 2.62614 2.67388 2.69311 2.70440 2.71157 2.71795 2.72517 2.73631 2.74525 2.75134 2.76036 2.77246 2.78507 2.79574 2.80438 2.82498 2.83636 2.84720 2.85269 2.87215 2.88332 2.91263 2.92382 2.93032 3.06708 3.07664 3.08190 3.08511 3.08775 3.09342 3.09528 3.09616 3.09774 3.10819 3.11136 3.11407 3.11700 3.12638 3.12919 3.13466 3.14049 3.14231 3.14805 3.15206 3.15598 3.15893 3.16435 3.16841 3.17312 3.18419 3.18679 3.19773 3.21541 3.23764 3.29596 3.29973 3.30542 3.30781 3.31496 3.32315 3.32503 3.33199 3.34409 3.34932 3.35686 3.36508 3.37718 3.38224 3.39393 3.67947 3.69439 3.70194 3.70457 3.71802 3.72024 3.72544 3.73238 3.73948 3.74592 3.75647 3.76397 3.77837 3.81427 3.84732 3.90777 3.91516 3.92178 3.92757 3.93057 3.93546 3.94035 3.94304 3.95057 3.95707 3.96195 3.98008 3.98206 4.00064 4.02784 5.00674 5.01241 5.01707 5.02361 5.02929 5.03409 5.03775 5.04442 5.04783 5.05892 5.06544 5.10161 5.17010 5.19497 5.22961 5.36624 5.38845 5.39555 5.40758 5.41534 5.43516 5.44957 5.45235 5.46202 5.46411 5.48738 5.49018 5.51941 5.55194 5.56808 5.65602 5.66235 5.66752 5.67446 5.67967 5.68130 5.69338 5.70596 5.71580 5.73155 5.74900 5.76650 5.77753 5.78446 5.85994 49.87838 49.88715 49.90027 49.90400 49.91580 49.91779 49.92857 49.93181 49.93619 49.94095 49.95478 49.95825 49.96733 49.97621 49.99196 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.776252 0.350739 0.417377 -0.701793 0.303448 -0.903499 0.449166 0.396013 0.454169 -0.747835 0.382957 -0.748997 0.318757 -0.751120 0.374775 0.389073 -0.784169 0.369906 0.395983 -0.811844 0.440463 0.387341 -0.789767 0.340145 0.429085 -0.784136 0.433166 0.385176 -0.771718 0.428841 0.346188 -0.768459 0.424184 0.337374 -0.782750 0.393161 0.404873 -0.815601 0.423866 0.393541 -0.737098 0.407969 0.378694 0.317631 0.400976 -0.00000 -3.5269 -2.9018 1.3706 4.7684 -104.5422 -122.5663 -88.6182 1.9067 13.1645 0.9991 0.7000 -17.3241 16.6241 1.9067 13.1645 0.9991 -12.4541 7.9133 43.3116 -44.9136 -56.2187 -24.9190 -23.6836 -24.9449 26.0631 11.0399 -2599.5832 -2415.9902 -1462.3159 53.7845 276.6620 71.7558 51.1112 184.2160 -16.9441 -1046.1434 -992.6199 -524.5153 -54.3824 -98.4912 -97.3565 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HORCAJUELO LAMSABHI 18-Jul-2024 0 Wavefunction 15-agua/ CONF349water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2279528 RMSD=3.443e-09 Dipole=0.6216706,-0.9049308,-1.521244 Quadrupole=16.883427,-12.4726677,-4.4107594,4.0902695,3.2827096,0.5252885 PG=C01 [X(H30O15)] 0 0.306099881 0.0323281619 3.6382501267 0 0.0000460616 0.6604883246 -2.9890330689 0 -0.1870202773 2.7425464908 -2.5853499742 0 0.0378241107 2.6456405872 2.689890291 0 0.9218282937 3.0227495488 2.5993117075 0 -0.7614889808 1.7744259811 0.184957376 0 -1.6543726918 1.4150218061 0.4122511784 0 -0.2331256471 2.4195019954 1.7726461327 0 -0.8672841023 2.4299009213 -0.5402703237 0 0.5198289123 1.3431530923 -3.4586663582 0 1.4308334394 1.1743233707 -3.1434485474 0 -0.6034452904 3.4274512691 -2.0123115836 0 -1.4261593878 3.6638197974 -2.4578570661 0 -3.095007941 0.5472953824 0.8883849029 0 -3.2313405005 -0.1095122759 0.1790511688 0 -2.7668480824 0.008871989 1.6404250785 0 -3.0715429014 -1.579304059 -0.9770719086 0 -3.7224222457 -2.0670233901 -1.495774248 0 -2.6645896065 -2.2240618941 -0.3487826741 0 2.056199873 1.2867742594 0.2295088928 0 2.3529502895 1.0594880695 -0.6775149818 0 1.0936449802 1.4241282287 0.167939978 0 -2.0186801343 -1.1002556414 2.8531417746 0 -2.5333193319 -1.3330165512 3.635668752 0 -1.1765340093 -0.6964529308 3.1873271161 0 -0.6423100475 -0.4228218404 -1.6398426601 0 -1.5449847481 -0.7963736445 -1.5599593099 0 -0.6164689945 0.3042786099 -0.9859111149 0 2.9494005745 0.5692171737 -2.3013856657 0 2.9812520542 -0.4176425912 -2.300011143 0 3.8342233226 0.8661220657 -2.5471850598 0 2.0427415451 -0.9708892908 1.703655961 0 2.1486563894 -0.1385983386 1.1746632281 0 2.9344382378 -1.2516297401 1.9441824068 0 -1.6837846093 -3.0485027751 0.8678454659 0 -0.7875943652 -2.9045993893 0.5024887012 0 -1.7609740161 -2.4118052601 1.6089085088 0 0.8104434903 -2.3800371986 -0.3520210923 0 1.2574822699 -1.9360087528 0.4012518011 0 0.3155781926 -1.6622821555 -0.8112663604 0 2.9076754966 -2.1668170218 -2.1722986926 0 2.1697977696 -2.3320507919 -1.5426941492 0 0.9614923374 -0.3590231956 3.023287535 0 2.6136101726 -2.5456099936 -3.0100180143 0 0.2296118739 0.9681893887 3.3510976509 Gaussian 16 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(H30O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3061,.0323,3.6383;0,.6605,-2.989;-.187,2.7425,-2.5854;.0378,2.6456,2.6899;.9218,3.0227,2.5993;-.7615,1.7744,.185;-1.6544,1.415,.4123;-.2331,2.4195,1.7726;-.8673,2.4299,-.5403;.5198,1.3432,-3.4587;1.4308,1.1743,-3.1434;-.6034,3.4275,-2.0123;-1.4262,3.6638,-2.4579;-3.095,.5473,.8884;-3.2313,-.1095,.1791;-2.7668,.0089,1.6404;-3.0715,-1.5793,-.9771;-3.7224,-2.067,-1.4958;-2.6646,-2.2241,-.3488;2.0562,1.2868,.2295;2.3529,1.0595,-.6775;1.0936,1.4241,.1679;-2.0187,-1.1003,2.8531;-2.5333,-1.333,3.6357;-1.1765,-.6965,3.1873;-.6423,-.4228,-1.6398;-1.545,-.7964,-1.56;-.6165,.3043,-.9859;2.9494,.5692,-2.3014;2.9813,-.4176,-2.3;3.8342,.8661,-2.5472;2.0427,-.9709,1.7037;2.1487,-.1386,1.1747;2.9344,-1.2516,1.9442;-1.6838,-3.0485,.8678;-.7876,-2.9046,.5025;-1.761,-2.4118,1.6089;.8104,-2.38,-.352;1.2575,-1.936,.4013;.3156,-1.6623,-.8113;2.9077,-2.1668,-2.1723;2.1698,-2.3321,-1.5427;.9615,-.359,3.0233;2.6136,-2.5456,-3.01;.2296,.9682,3.3511; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF349/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,163=2,172=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=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 15-agua/ CONF349 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 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 525 A 510 A 510 780 525 75 75 1456.1256166804 45 45 45 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=141 Grimme-D3(BJ) -0.0491421177 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 6.664018 0.000000 6.806001 2.129066 0.000000 2.792984 6.016014 5.280919 0.000000 3.225079 6.136738 5.309310 0.965339 0.000000 4.012466 3.448914 2.990297 2.769947 3.197026 0.000000 4.020244 3.856832 3.591804 3.092829 3.742303 0.988977 0.000000 3.077311 5.081544 4.370196 0.982797 1.543114 1.793334 2.208981 0.000000 4.958348 3.143171 2.177810 3.361503 3.661880 0.983257 1.598995 2.398301 0.000000 7.220122 0.978142 1.794608 6.303455 6.299345 3.886356 4.440306 5.393709 3.409126 0.000000 6.968545 1.528078 2.321260 6.175200 6.054342 4.030470 4.713749 5.337342 3.692473 0.978670 0.000000 6.654546 2.995709 0.985331 4.809694 4.874147 2.754172 3.321570 3.934336 1.797672 2.774524 3.239498 0.000000 7.304175 3.366929 1.549343 5.447866 5.612395 3.316031 3.653313 4.568240 2.347773 3.189668 3.850979 0.965007 0.000000 4.403917 4.962514 5.034119 4.178889 5.018976 2.728731 1.747879 3.532343 3.247770 5.709404 6.093610 4.787194 4.867763 0.000000 4.949713 4.590372 5.004402 4.958086 5.737381 3.106352 2.205768 4.233763 3.543276 5.423513 5.867121 4.921180 4.944694 0.976287 0.000000 3.665360 5.432512 5.655587 3.990002 4.858936 3.042537 2.173309 3.499767 3.771625 6.211545 6.470259 5.450640 5.652611 0.981404 1.537980 0.000000 5.941972 4.301083 5.439248 6.400385 7.065156 4.234875 3.592294 5.622100 4.596007 5.253286 5.705002 5.677220 5.691253 2.828941 1.876817 3.076757 0.000000 6.855252 4.850352 6.067801 7.339512 8.015272 5.133100 4.476832 6.556422 5.411758 5.786099 6.306917 6.339091 6.248279 3.593400 2.622604 3.880491 0.964659 0.000000 5.460103 4.732001 5.983960 6.344334 7.005904 4.460334 3.852615 5.654659 4.992629 5.704114 6.010962 6.241414 6.375661 3.065333 2.251918 2.992223 0.987963 1.568203 0.000000 4.031873 3.870273 3.882620 3.460323 3.149028 2.859923 3.717283 2.984184 3.232036 3.995779 3.432284 4.084357 4.999911 5.245559 5.469026 5.185124 5.996998 6.900510 5.911535 0.000000 4.885743 3.322420 3.594992 4.383504 4.079228 3.309793 4.168049 3.813229 3.502396 3.342993 2.635207 4.016118 4.922787 5.691628 5.769278 5.717427 6.039709 6.881480 6.005454 0.981026 0.000000 3.821045 3.427183 3.310428 2.994509 2.914906 1.887994 2.758872 2.307850 2.314818 3.672614 3.337872 3.412758 4.273224 4.339665 4.588864 4.367444 5.261221 6.176616 5.263138 0.974253 1.560002 0.000000 2.702544 6.427012 6.906468 4.276400 5.070522 4.118681 3.523817 4.091988 5.030205 7.228637 7.282304 6.795267 7.159204 2.780859 3.098851 1.805713 4.001068 4.769743 3.454339 5.402408 6.020065 4.823836 0.000000 3.150631 7.367406 7.798488 4.830630 5.655509 4.970210 4.326047 4.779450 5.862908 8.173933 8.243646 7.634537 7.957715 3.376187 3.732613 2.415822 4.650561 5.318312 4.084978 6.287203 6.942857 5.725545 0.965080 0.000000 1.712500 6.432189 6.791882 3.590501 4.310609 3.910464 3.519617 3.549721 4.874906 7.155898 7.097668 6.661176 7.137394 3.242312 3.690048 2.327979 4.659689 5.503767 4.129403 4.809620 5.520651 4.332121 0.991941 1.564318 0.000000 5.381905 1.845670 3.334791 5.350199 5.682334 2.858670 2.934796 4.459968 3.065567 2.788791 3.018216 3.868442 4.240779 3.653599 3.179562 3.931943 2.770900 3.494459 3.000153 3.701236 3.477773 3.113333 4.747654 5.677622 4.864343 0.000000 5.579843 2.559652 3.926761 5.693327 6.162013 3.204311 2.965105 4.813428 3.450781 3.527906 3.904687 4.351071 4.551227 3.194121 2.517882 3.519067 1.811938 2.521885 2.181458 4.528822 4.406453 3.857283 4.448842 5.315952 4.762612 0.980175 0.000000 4.723130 2.125905 2.947504 4.406993 4.755025 1.885019 2.065394 3.497250 2.186269 2.912894 3.098934 3.287533 3.756160 3.116921 2.892389 3.407204 3.094406 3.940809 3.315605 3.096079 3.079432 2.347323 4.321717 5.264414 4.327939 0.978248 1.550196 0.000000 6.523386 3.029832 3.826373 6.140167 5.843604 4.626568 5.410540 5.490880 4.596820 2.800195 1.838823 4.569002 5.361583 6.834471 6.694386 6.966158 6.528531 7.218864 6.567492 2.778151 1.798075 3.205038 7.351062 8.302248 6.982208 3.784464 4.755423 3.809999 0.000000 6.528542 3.244180 4.483990 6.553365 6.330947 4.998834 5.674861 5.913387 5.100630 3.240600 2.376876 5.264748 6.009037 6.929496 6.696044 6.982092 6.303646 6.950288 6.240671 3.187355 2.282361 3.611920 7.212508 8.153570 6.890269 3.683212 4.601949 3.897644 0.987375 0.000000 7.169552 3.865027 4.437660 6.708673 6.294404 5.423116 6.259732 6.133291 5.345772 3.470384 2.495356 5.151640 5.958751 7.740739 7.635864 7.864166 7.492328 8.173842 7.524412 3.323905 2.393162 3.897954 8.202844 9.143823 7.773928 4.745945 5.716151 4.749938 0.965133 1.560995 0.000000 2.786579 5.371716 6.095655 4.251075 4.243559 4.207958 4.585734 4.084003 5.006878 5.858637 5.335803 6.336886 7.129656 5.419042 5.557187 4.908776 5.806236 6.683934 5.286011 2.696356 3.144620 2.999219 4.222937 4.980376 3.555324 4.323062 4.853187 3.991394 4.385695 4.149245 4.965246 0.000000 3.081151 4.753045 5.281485 3.808348 3.678159 3.620515 4.178282 3.546033 4.316721 5.129952 4.570024 5.517933 6.358687 5.296076 5.471422 4.939723 5.827184 6.731985 5.462361 1.712762 2.215335 2.137441 4.594428 5.422553 3.926692 3.973880 4.642608 3.536968 3.636634 3.583915 4.207464 0.991847 0.000000 3.380322 6.050080 6.798059 4.912756 4.769708 5.090360 5.524041 4.851813 5.846304 6.461734 5.833529 7.075610 7.909134 6.380052 6.514365 5.846862 6.686771 7.537371 6.128003 3.186676 3.542978 3.701788 5.038105 5.723995 4.330557 5.130817 5.705392 4.859552 4.619584 4.325610 5.046471 0.965293 1.564753 0.000000 4.596336 5.609582 6.906599 6.221499 6.829883 4.957581 4.486812 5.729062 5.715100 6.546851 6.604815 7.169409 7.495461 3.862866 3.392202 3.334283 2.736446 3.272009 1.766880 5.761040 5.963133 5.311159 2.801647 3.365330 3.342071 3.777217 3.314451 3.977024 6.678198 6.222484 7.578597 4.347649 4.821751 5.071019 0.000000 4.433363 5.051827 6.464185 6.022558 6.515540 4.689860 4.406651 5.501526 5.436045 5.953445 5.903549 6.815644 7.232948 4.169970 3.726797 3.701440 3.026868 3.647986 2.170462 5.072405 5.193209 4.731688 3.208862 3.915897 3.497934 3.281754 3.044987 3.541400 5.821876 5.314430 6.699257 3.632195 4.089517 4.320222 0.978443 0.000000 3.790094 5.803555 6.829090 5.475578 6.141068 4.533336 4.010980 5.069779 5.372129 6.706869 6.755209 6.967785 7.318736 3.324918 3.083346 2.621537 3.016280 3.688524 2.164330 5.491179 5.848246 4.993959 1.826114 2.422408 2.403208 3.970119 3.563424 3.926843 6.809150 6.461041 7.702218 4.068595 4.543264 4.848228 0.980059 1.553859 0.000000 4.690004 4.105529 5.676580 5.925167 6.157343 4.474247 4.589325 5.351525 5.097618 4.857762 4.561845 6.203432 6.779760 5.035914 4.666191 4.740648 4.012690 4.685405 3.478533 3.916068 3.783597 3.849966 4.462606 5.308359 4.394260 2.756750 3.084663 3.105390 4.131980 3.515404 4.949701 2.780299 3.024174 3.325238 2.855888 1.886552 3.233951 0.000000 3.906103 4.451626 5.735439 5.264688 5.434465 4.229699 4.439417 4.803448 4.945934 5.118203 4.719017 6.168877 6.836265 5.034706 4.851288 4.638248 4.557134 5.330602 4.003520 3.324722 3.367015 3.372210 4.176540 5.019485 3.901685 3.172540 3.605404 3.233389 4.054996 3.545933 4.815061 1.801206 2.150126 2.379326 3.179057 2.265117 3.285711 0.982051 0.000000 4.761301 3.199608 4.775196 5.558187 5.826586 3.736776 3.853246 4.861959 4.268321 4.010372 3.837864 5.309661 5.840571 4.404900 3.996555 4.278422 3.392192 4.115558 3.067717 3.579094 3.402471 3.330189 4.380927 5.291490 4.375840 1.772103 2.184498 2.183248 3.759929 3.297166 4.667666 3.128251 3.102532 3.823553 2.956091 2.118087 3.275836 0.985378 1.559586 0.000000 6.735496 4.137030 5.818041 7.418671 7.324169 5.878165 6.349941 6.816271 6.167954 4.435814 3.779870 6.606769 7.270488 7.264048 6.888314 7.174309 6.125748 6.665271 5.863329 4.291967 3.598770 4.654279 7.117695 8.002008 6.896980 3.990918 4.698857 4.464686 2.739395 1.755373 3.193392 4.147454 3.986469 4.217073 5.576859 4.621020 6.012806 2.785185 3.065872 2.970847 0.000000 5.992148 3.969258 5.691508 6.872954 6.883860 5.332952 5.699706 6.272382 5.736280 4.460994 3.924684 6.409624 7.051163 6.474485 6.089038 6.323183 5.325243 5.898364 4.980802 4.031067 3.504942 4.265355 6.195485 7.066316 6.020483 3.400374 4.019728 3.876019 3.098508 2.212904 3.742676 3.522456 3.492236 3.729650 4.601533 3.640982 5.038842 1.807719 2.183597 2.102786 0.983955 0.000000 0.980242 6.173474 6.511193 3.161063 3.408477 3.946693 4.099695 3.272830 4.880724 6.716264 6.371818 6.491816 7.206046 4.672731 5.072651 3.993517 5.810106 6.728911 5.291285 3.422314 4.200508 3.368991 3.075679 3.679318 2.170697 4.931636 5.242123 4.359312 5.758954 5.693889 6.386214 1.812431 2.208021 2.419448 4.344735 3.986689 3.691369 3.937007 3.074014 4.101157 5.835226 5.118694 0.000000 7.494654 4.136451 5.999039 8.128512 8.082904 6.345224 6.753829 7.458560 6.555302 4.439334 3.905723 6.857283 7.428434 7.573106 7.090006 7.556542 6.114539 6.532020 5.919878 5.049001 4.301772 5.307404 7.610769 8.492727 7.496110 4.121241 4.738819 4.759442 3.212019 2.273217 3.652948 5.002435 4.849891 5.130440 5.810192 4.902527 6.363126 3.216174 3.721217 3.300868 0.965263 1.547778 6.626570 0.000000 0.981908 6.351743 6.209938 1.813235 2.294681 3.414197 3.519357 2.193614 4.299131 6.826252 6.607916 5.958868 6.614526 4.158750 4.816795 3.581266 6.010025 6.951493 5.679435 3.630735 4.554846 3.329704 3.095358 3.606982 2.185200 5.254012 5.511929 4.468364 6.285459 6.436388 6.913276 3.124345 3.105572 3.771352 5.095237 4.914039 4.292088 5.026040 4.265264 4.924637 6.892619 6.213301 1.550678 7.648139 0.000000 H30O15 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 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.6499,.3094,-2.497;-2.4708,.381,1.7671;-2.438,2.488,1.4638;1.5728,2.8286,-1.9546;.9057,3.0191,-2.6259;.253,1.9036,.2982;1.0289,1.7445,.8905;1.059,2.5765,-1.1556;-.3755,2.4987,.7648;-3.2759,.9056,1.5847;-3.5382,.5942,.6947;-1.8723,3.2893,1.3699;-1.7771,3.6379,2.2647;2.4208,1.2165,1.8064;2.0712,.5365,2.4135;2.9161,.6955,1.1382;1.3503,-1.0353,3.143;1.4233,-1.4339,4.0184;1.7222,-1.6865,2.4998;-1.2926,.8899,-1.8842;-2.1352,.5286,-1.535;-.7953,1.2034,-1.1072;3.6303,-.422,-.0871;4.592,-.4797,-.1449;3.3153,-.1589,-.9902;-.8291,-.4319,1.5418;-.16,-.6163,2.234;-.4706,.333,1.0484;-3.6666,-.2124,-.9528;-3.4976,-1.1827,-.8834;-4.4403,-.1145,-1.5213;.2957,-1.18,-2.5648;-.3385,-.435,-2.4017;.0076,-1.6038,-3.3828;2.2475,-2.5702,1.0628;1.4025,-2.6349,.5738;2.7524,-1.866,.6049;-.3139,-2.5067,-.1987;-.0741,-2.0903,-1.0552;-.5151,-1.7519,.4019;-3.023,-2.8662,-.736;-2.0612,-2.8289,-.5316;1.8539,-.2547,-2.5923;-3.4319,-3.2559,.0467;2.2936,1.2125,-2.3504; 0.3025487 0.2370598 0.2255625 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= 510 RedAO= T EigKep= 1.27D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 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= 523 523 523 523 523 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22795278173 -1147.22795278 1 1.143311888330e+03 -5.623377143919e+03 1.876746062942e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 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. PT16248.400S Thu Jul 18 23:09:39 2024 -19.12932 -19.12847 -19.12819 -19.12662 -19.12564 -19.12279 -19.12269 -19.12255 -19.12199 -19.11696 -19.11683 -19.11484 -19.11438 -19.11340 -19.11262 -1.03041 -1.02403 -1.02148 -1.02007 -1.01788 -1.01308 -1.01226 -1.00884 -1.00800 -1.00295 -0.99932 -0.99585 -0.99349 -0.99148 -0.98880 -0.54527 -0.54451 -0.54042 -0.53904 -0.53524 -0.53386 -0.53234 -0.53070 -0.52878 -0.52815 -0.52435 -0.52291 -0.52081 -0.51990 -0.51754 -0.44171 -0.43784 -0.42747 -0.42643 -0.41933 -0.41317 -0.40305 -0.40118 -0.39892 -0.39388 -0.39060 -0.38606 -0.37977 -0.37582 -0.36479 -0.33037 -0.32921 -0.32834 -0.32727 -0.32681 -0.32578 -0.32248 -0.32109 -0.32011 -0.31872 -0.31864 -0.31655 -0.31577 -0.31534 -0.31412 -0.00189 0.02732 0.03453 0.03489 0.05811 0.05951 0.06568 0.07815 0.08266 0.09030 0.09934 0.10731 0.10957 0.11207 0.11651 0.11770 0.12146 0.13404 0.13654 0.13983 0.14805 0.15127 0.15395 0.15492 0.16318 0.16531 0.17172 0.17440 0.17866 0.18014 0.18559 0.18681 0.19249 0.19496 0.19933 0.20208 0.20939 0.21383 0.21469 0.22325 0.22566 0.22932 0.23232 0.23552 0.24270 0.24610 0.24891 0.25349 0.25546 0.25813 0.26161 0.26486 0.26928 0.27253 0.27366 0.27587 0.27943 0.28257 0.28404 0.28843 0.28954 0.29091 0.29548 0.29911 0.30147 0.30472 0.30935 0.31760 0.32192 0.32667 0.32856 0.34460 0.35165 0.36523 0.38685 0.39234 0.40228 0.40923 0.42265 0.43563 0.44564 0.46192 0.46509 0.47033 0.48113 0.48794 0.49478 0.50256 0.51546 0.52046 0.53182 0.53847 0.55079 0.55233 0.55460 0.56272 0.56636 0.57372 0.57962 0.58235 0.58717 0.59224 0.59914 0.61043 0.62339 0.62408 0.63320 0.64373 0.65089 0.65353 0.65985 0.67338 0.67921 0.68677 0.69586 0.70195 0.71158 0.72015 0.73192 0.74006 0.93507 0.95070 0.95298 0.96460 0.97525 0.97655 0.98538 0.99355 0.99730 1.00103 1.01096 1.01192 1.02139 1.02225 1.03353 1.03982 1.04481 1.04807 1.05204 1.05431 1.06960 1.07301 1.07441 1.07827 1.08679 1.09050 1.09659 1.09981 1.10618 1.10640 1.11195 1.11403 1.11928 1.12861 1.13510 1.13792 1.14598 1.14830 1.15296 1.16027 1.16886 1.18027 1.18710 1.20013 1.21952 1.24936 1.25184 1.26091 1.26266 1.27701 1.28680 1.29419 1.29945 1.30307 1.31083 1.31686 1.32264 1.32773 1.33599 1.34528 1.35195 1.35835 1.36973 1.37739 1.37845 1.38294 1.38941 1.39737 1.41004 1.41743 1.42178 1.43158 1.43544 1.44662 1.45109 1.45992 1.46950 1.47726 1.48228 1.49545 1.49820 1.51053 1.52227 1.53795 1.54232 1.55459 1.56066 1.57349 1.58558 1.58787 1.60353 1.60736 1.61765 1.62724 1.63022 1.63482 1.64499 1.66170 1.66373 1.66878 1.67167 1.68301 1.69757 1.71473 1.71866 1.73645 1.74572 1.75414 1.75661 1.76539 1.77607 1.79292 1.79332 1.80359 1.81572 1.83484 1.83711 1.84717 1.86785 1.88869 2.02609 2.03417 2.03724 2.04045 2.05035 2.06329 2.06569 2.16087 2.19117 2.23765 2.24840 2.27480 2.28377 2.29187 2.30611 2.32584 2.33329 2.34217 2.34999 2.36740 2.36948 2.39319 2.40401 2.42968 2.44740 2.45786 2.47684 2.49789 2.51587 2.52929 2.55828 2.58117 2.58403 2.59060 2.60035 2.61176 2.62614 2.67388 2.69311 2.70440 2.71157 2.71795 2.72517 2.73631 2.74525 2.75134 2.76036 2.77246 2.78507 2.79574 2.80438 2.82498 2.83636 2.84720 2.85269 2.87215 2.88332 2.91263 2.92382 2.93032 3.06708 3.07664 3.08190 3.08511 3.08775 3.09342 3.09528 3.09616 3.09774 3.10819 3.11136 3.11407 3.11700 3.12638 3.12919 3.13466 3.14049 3.14231 3.14805 3.15206 3.15598 3.15893 3.16435 3.16841 3.17312 3.18419 3.18679 3.19773 3.21541 3.23764 3.29596 3.29973 3.30542 3.30781 3.31496 3.32315 3.32503 3.33199 3.34409 3.34932 3.35686 3.36508 3.37718 3.38224 3.39393 3.67947 3.69439 3.70194 3.70457 3.71802 3.72024 3.72544 3.73238 3.73948 3.74592 3.75647 3.76397 3.77837 3.81427 3.84732 3.90777 3.91516 3.92178 3.92757 3.93057 3.93546 3.94035 3.94304 3.95057 3.95707 3.96195 3.98008 3.98206 4.00064 4.02784 5.00674 5.01241 5.01707 5.02361 5.02929 5.03409 5.03775 5.04442 5.04783 5.05892 5.06544 5.10161 5.17010 5.19497 5.22961 5.36624 5.38845 5.39555 5.40758 5.41534 5.43516 5.44957 5.45235 5.46202 5.46411 5.48738 5.49018 5.51941 5.55194 5.56808 5.65602 5.66235 5.66752 5.67446 5.67967 5.68130 5.69338 5.70596 5.71580 5.73155 5.74900 5.76650 5.77753 5.78446 5.85994 49.87838 49.88715 49.90027 49.90400 49.91580 49.91779 49.92857 49.93181 49.93619 49.94095 49.95478 49.95825 49.96733 49.97621 49.99196 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.776252 0.350739 0.417377 -0.701793 0.303448 -0.903499 0.449166 0.396013 0.454169 -0.747835 0.382957 -0.748997 0.318757 -0.751120 0.374775 0.389073 -0.784169 0.369906 0.395983 -0.811844 0.440463 0.387341 -0.789767 0.340145 0.429085 -0.784136 0.433166 0.385176 -0.771718 0.428841 0.346188 -0.768459 0.424184 0.337374 -0.782750 0.393161 0.404873 -0.815601 0.423866 0.393541 -0.737098 0.407969 0.378694 0.317631 0.400976 -0.00000 -3.5269 -2.9018 1.3706 4.7684 -104.5422 -122.5663 -88.6182 1.9067 13.1645 0.9991 0.7000 -17.3241 16.6241 1.9067 13.1645 0.9991 -12.4541 7.9133 43.3116 -44.9136 -56.2187 -24.9190 -23.6836 -24.9449 26.0631 11.0399 -2599.5832 -2415.9902 -1462.3159 53.7845 276.6620 71.7558 51.1112 184.2160 -16.9441 -1046.1434 -992.6199 -524.5153 -54.3824 -98.4912 -97.3565 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HORCAJUELO LAMSABHI 18-Jul-2024 0 Wavefunction 15-agua/ CONF349 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2279528 RMSD=3.443e-09 Dipole=0.6216706,-0.9049308,-1.521244 Quadrupole=16.883427,-12.4726677,-4.4107594,4.0902695,3.2827096,0.5252885 PG=C01 [X(H30O15)] 0 0.306099881 0.0323281619 3.6382501267 0 0.0000460616 0.6604883246 -2.9890330689 0 -0.1870202773 2.7425464908 -2.5853499742 0 0.0378241107 2.6456405872 2.689890291 0 0.9218282937 3.0227495488 2.5993117075 0 -0.7614889808 1.7744259811 0.184957376 0 -1.6543726918 1.4150218061 0.4122511784 0 -0.2331256471 2.4195019954 1.7726461327 0 -0.8672841023 2.4299009213 -0.5402703237 0 0.5198289123 1.3431530923 -3.4586663582 0 1.4308334394 1.1743233707 -3.1434485474 0 -0.6034452904 3.4274512691 -2.0123115836 0 -1.4261593878 3.6638197974 -2.4578570661 0 -3.095007941 0.5472953824 0.8883849029 0 -3.2313405005 -0.1095122759 0.1790511688 0 -2.7668480824 0.008871989 1.6404250785 0 -3.0715429014 -1.579304059 -0.9770719086 0 -3.7224222457 -2.0670233901 -1.495774248 0 -2.6645896065 -2.2240618941 -0.3487826741 0 2.056199873 1.2867742594 0.2295088928 0 2.3529502895 1.0594880695 -0.6775149818 0 1.0936449802 1.4241282287 0.167939978 0 -2.0186801343 -1.1002556414 2.8531417746 0 -2.5333193319 -1.3330165512 3.635668752 0 -1.1765340093 -0.6964529308 3.1873271161 0 -0.6423100475 -0.4228218404 -1.6398426601 0 -1.5449847481 -0.7963736445 -1.5599593099 0 -0.6164689945 0.3042786099 -0.9859111149 0 2.9494005745 0.5692171737 -2.3013856657 0 2.9812520542 -0.4176425912 -2.300011143 0 3.8342233226 0.8661220657 -2.5471850598 0 2.0427415451 -0.9708892908 1.703655961 0 2.1486563894 -0.1385983386 1.1746632281 0 2.9344382378 -1.2516297401 1.9441824068 0 -1.6837846093 -3.0485027751 0.8678454659 0 -0.7875943652 -2.9045993893 0.5024887012 0 -1.7609740161 -2.4118052601 1.6089085088 0 0.8104434903 -2.3800371986 -0.3520210923 0 1.2574822699 -1.9360087528 0.4012518011 0 0.3155781926 -1.6622821555 -0.8112663604 0 2.9076754966 -2.1668170218 -2.1722986926 0 2.1697977696 -2.3320507919 -1.5426941492 0 0.9614923374 -0.3590231956 3.023287535 0 2.6136101726 -2.5456099936 -3.0100180143 0 0.2296118739 0.9681893887 3.3510976509 Gaussian 16 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(H30O15)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj 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 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3061,.0323,3.6383;0,.6605,-2.989;-.187,2.7425,-2.5854;.0378,2.6456,2.6899;.9218,3.0227,2.5993;-.7615,1.7744,.185;-1.6544,1.415,.4123;-.2331,2.4195,1.7726;-.8673,2.4299,-.5403;.5198,1.3432,-3.4587;1.4308,1.1743,-3.1434;-.6034,3.4275,-2.0123;-1.4262,3.6638,-2.4579;-3.095,.5473,.8884;-3.2313,-.1095,.1791;-2.7668,.0089,1.6404;-3.0715,-1.5793,-.9771;-3.7224,-2.067,-1.4958;-2.6646,-2.2241,-.3488;2.0562,1.2868,.2295;2.3529,1.0595,-.6775;1.0936,1.4241,.1679;-2.0187,-1.1003,2.8531;-2.5333,-1.333,3.6357;-1.1765,-.6965,3.1873;-.6423,-.4228,-1.6398;-1.545,-.7964,-1.56;-.6165,.3043,-.9859;2.9494,.5692,-2.3014;2.9813,-.4176,-2.3;3.8342,.8661,-2.5472;2.0427,-.9709,1.7037;2.1487,-.1386,1.1747;2.9344,-1.2516,1.9442;-1.6838,-3.0485,.8678;-.7876,-2.9046,.5025;-1.761,-2.4118,1.6089;.8104,-2.38,-.352;1.2575,-1.936,.4013;.3156,-1.6623,-.8113;2.9077,-2.1668,-2.1723;2.1698,-2.3321,-1.5427;.9615,-.359,3.0233;2.6136,-2.5456,-3.01;.2296,.9682,3.3511; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF349/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=W 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=41/1,2,3 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 15-agua/ CONF349 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 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 945 A 855 A 855 1200 945 75 75 1456.1256166804 45 45 45 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=141 Grimme-D3(BJ) -0.0491421177 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 6.664018 0.000000 6.806001 2.129066 0.000000 2.792984 6.016014 5.280919 0.000000 3.225079 6.136738 5.309310 0.965339 0.000000 4.012466 3.448914 2.990297 2.769947 3.197026 0.000000 4.020244 3.856832 3.591804 3.092829 3.742303 0.988977 0.000000 3.077311 5.081544 4.370196 0.982797 1.543114 1.793334 2.208981 0.000000 4.958348 3.143171 2.177810 3.361503 3.661880 0.983257 1.598995 2.398301 0.000000 7.220122 0.978142 1.794608 6.303455 6.299345 3.886356 4.440306 5.393709 3.409126 0.000000 6.968545 1.528078 2.321260 6.175200 6.054342 4.030470 4.713749 5.337342 3.692473 0.978670 0.000000 6.654546 2.995709 0.985331 4.809694 4.874147 2.754172 3.321570 3.934336 1.797672 2.774524 3.239498 0.000000 7.304175 3.366929 1.549343 5.447866 5.612395 3.316031 3.653313 4.568240 2.347773 3.189668 3.850979 0.965007 0.000000 4.403917 4.962514 5.034119 4.178889 5.018976 2.728731 1.747879 3.532343 3.247770 5.709404 6.093610 4.787194 4.867763 0.000000 4.949713 4.590372 5.004402 4.958086 5.737381 3.106352 2.205768 4.233763 3.543276 5.423513 5.867121 4.921180 4.944694 0.976287 0.000000 3.665360 5.432512 5.655587 3.990002 4.858936 3.042537 2.173309 3.499767 3.771625 6.211545 6.470259 5.450640 5.652611 0.981404 1.537980 0.000000 5.941972 4.301083 5.439248 6.400385 7.065156 4.234875 3.592294 5.622100 4.596007 5.253286 5.705002 5.677220 5.691253 2.828941 1.876817 3.076757 0.000000 6.855252 4.850352 6.067801 7.339512 8.015272 5.133100 4.476832 6.556422 5.411758 5.786099 6.306917 6.339091 6.248279 3.593400 2.622604 3.880491 0.964659 0.000000 5.460103 4.732001 5.983960 6.344334 7.005904 4.460334 3.852615 5.654659 4.992629 5.704114 6.010962 6.241414 6.375661 3.065333 2.251918 2.992223 0.987963 1.568203 0.000000 4.031873 3.870273 3.882620 3.460323 3.149028 2.859923 3.717283 2.984184 3.232036 3.995779 3.432284 4.084357 4.999911 5.245559 5.469026 5.185124 5.996998 6.900510 5.911535 0.000000 4.885743 3.322420 3.594992 4.383504 4.079228 3.309793 4.168049 3.813229 3.502396 3.342993 2.635207 4.016118 4.922787 5.691628 5.769278 5.717427 6.039709 6.881480 6.005454 0.981026 0.000000 3.821045 3.427183 3.310428 2.994509 2.914906 1.887994 2.758872 2.307850 2.314818 3.672614 3.337872 3.412758 4.273224 4.339665 4.588864 4.367444 5.261221 6.176616 5.263138 0.974253 1.560002 0.000000 2.702544 6.427012 6.906468 4.276400 5.070522 4.118681 3.523817 4.091988 5.030205 7.228637 7.282304 6.795267 7.159204 2.780859 3.098851 1.805713 4.001068 4.769743 3.454339 5.402408 6.020065 4.823836 0.000000 3.150631 7.367406 7.798488 4.830630 5.655509 4.970210 4.326047 4.779450 5.862908 8.173933 8.243646 7.634537 7.957715 3.376187 3.732613 2.415822 4.650561 5.318312 4.084978 6.287203 6.942857 5.725545 0.965080 0.000000 1.712500 6.432189 6.791882 3.590501 4.310609 3.910464 3.519617 3.549721 4.874906 7.155898 7.097668 6.661176 7.137394 3.242312 3.690048 2.327979 4.659689 5.503767 4.129403 4.809620 5.520651 4.332121 0.991941 1.564318 0.000000 5.381905 1.845670 3.334791 5.350199 5.682334 2.858670 2.934796 4.459968 3.065567 2.788791 3.018216 3.868442 4.240779 3.653599 3.179562 3.931943 2.770900 3.494459 3.000153 3.701236 3.477773 3.113333 4.747654 5.677622 4.864343 0.000000 5.579843 2.559652 3.926761 5.693327 6.162013 3.204311 2.965105 4.813428 3.450781 3.527906 3.904687 4.351071 4.551227 3.194121 2.517882 3.519067 1.811938 2.521885 2.181458 4.528822 4.406453 3.857283 4.448842 5.315952 4.762612 0.980175 0.000000 4.723130 2.125905 2.947504 4.406993 4.755025 1.885019 2.065394 3.497250 2.186269 2.912894 3.098934 3.287533 3.756160 3.116921 2.892389 3.407204 3.094406 3.940809 3.315605 3.096079 3.079432 2.347323 4.321717 5.264414 4.327939 0.978248 1.550196 0.000000 6.523386 3.029832 3.826373 6.140167 5.843604 4.626568 5.410540 5.490880 4.596820 2.800195 1.838823 4.569002 5.361583 6.834471 6.694386 6.966158 6.528531 7.218864 6.567492 2.778151 1.798075 3.205038 7.351062 8.302248 6.982208 3.784464 4.755423 3.809999 0.000000 6.528542 3.244180 4.483990 6.553365 6.330947 4.998834 5.674861 5.913387 5.100630 3.240600 2.376876 5.264748 6.009037 6.929496 6.696044 6.982092 6.303646 6.950288 6.240671 3.187355 2.282361 3.611920 7.212508 8.153570 6.890269 3.683212 4.601949 3.897644 0.987375 0.000000 7.169552 3.865027 4.437660 6.708673 6.294404 5.423116 6.259732 6.133291 5.345772 3.470384 2.495356 5.151640 5.958751 7.740739 7.635864 7.864166 7.492328 8.173842 7.524412 3.323905 2.393162 3.897954 8.202844 9.143823 7.773928 4.745945 5.716151 4.749938 0.965133 1.560995 0.000000 2.786579 5.371716 6.095655 4.251075 4.243559 4.207958 4.585734 4.084003 5.006878 5.858637 5.335803 6.336886 7.129656 5.419042 5.557187 4.908776 5.806236 6.683934 5.286011 2.696356 3.144620 2.999219 4.222937 4.980376 3.555324 4.323062 4.853187 3.991394 4.385695 4.149245 4.965246 0.000000 3.081151 4.753045 5.281485 3.808348 3.678159 3.620515 4.178282 3.546033 4.316721 5.129952 4.570024 5.517933 6.358687 5.296076 5.471422 4.939723 5.827184 6.731985 5.462361 1.712762 2.215335 2.137441 4.594428 5.422553 3.926692 3.973880 4.642608 3.536968 3.636634 3.583915 4.207464 0.991847 0.000000 3.380322 6.050080 6.798059 4.912756 4.769708 5.090360 5.524041 4.851813 5.846304 6.461734 5.833529 7.075610 7.909134 6.380052 6.514365 5.846862 6.686771 7.537371 6.128003 3.186676 3.542978 3.701788 5.038105 5.723995 4.330557 5.130817 5.705392 4.859552 4.619584 4.325610 5.046471 0.965293 1.564753 0.000000 4.596336 5.609582 6.906599 6.221499 6.829883 4.957581 4.486812 5.729062 5.715100 6.546851 6.604815 7.169409 7.495461 3.862866 3.392202 3.334283 2.736446 3.272009 1.766880 5.761040 5.963133 5.311159 2.801647 3.365330 3.342071 3.777217 3.314451 3.977024 6.678198 6.222484 7.578597 4.347649 4.821751 5.071019 0.000000 4.433363 5.051827 6.464185 6.022558 6.515540 4.689860 4.406651 5.501526 5.436045 5.953445 5.903549 6.815644 7.232948 4.169970 3.726797 3.701440 3.026868 3.647986 2.170462 5.072405 5.193209 4.731688 3.208862 3.915897 3.497934 3.281754 3.044987 3.541400 5.821876 5.314430 6.699257 3.632195 4.089517 4.320222 0.978443 0.000000 3.790094 5.803555 6.829090 5.475578 6.141068 4.533336 4.010980 5.069779 5.372129 6.706869 6.755209 6.967785 7.318736 3.324918 3.083346 2.621537 3.016280 3.688524 2.164330 5.491179 5.848246 4.993959 1.826114 2.422408 2.403208 3.970119 3.563424 3.926843 6.809150 6.461041 7.702218 4.068595 4.543264 4.848228 0.980059 1.553859 0.000000 4.690004 4.105529 5.676580 5.925167 6.157343 4.474247 4.589325 5.351525 5.097618 4.857762 4.561845 6.203432 6.779760 5.035914 4.666191 4.740648 4.012690 4.685405 3.478533 3.916068 3.783597 3.849966 4.462606 5.308359 4.394260 2.756750 3.084663 3.105390 4.131980 3.515404 4.949701 2.780299 3.024174 3.325238 2.855888 1.886552 3.233951 0.000000 3.906103 4.451626 5.735439 5.264688 5.434465 4.229699 4.439417 4.803448 4.945934 5.118203 4.719017 6.168877 6.836265 5.034706 4.851288 4.638248 4.557134 5.330602 4.003520 3.324722 3.367015 3.372210 4.176540 5.019485 3.901685 3.172540 3.605404 3.233389 4.054996 3.545933 4.815061 1.801206 2.150126 2.379326 3.179057 2.265117 3.285711 0.982051 0.000000 4.761301 3.199608 4.775196 5.558187 5.826586 3.736776 3.853246 4.861959 4.268321 4.010372 3.837864 5.309661 5.840571 4.404900 3.996555 4.278422 3.392192 4.115558 3.067717 3.579094 3.402471 3.330189 4.380927 5.291490 4.375840 1.772103 2.184498 2.183248 3.759929 3.297166 4.667666 3.128251 3.102532 3.823553 2.956091 2.118087 3.275836 0.985378 1.559586 0.000000 6.735496 4.137030 5.818041 7.418671 7.324169 5.878165 6.349941 6.816271 6.167954 4.435814 3.779870 6.606769 7.270488 7.264048 6.888314 7.174309 6.125748 6.665271 5.863329 4.291967 3.598770 4.654279 7.117695 8.002008 6.896980 3.990918 4.698857 4.464686 2.739395 1.755373 3.193392 4.147454 3.986469 4.217073 5.576859 4.621020 6.012806 2.785185 3.065872 2.970847 0.000000 5.992148 3.969258 5.691508 6.872954 6.883860 5.332952 5.699706 6.272382 5.736280 4.460994 3.924684 6.409624 7.051163 6.474485 6.089038 6.323183 5.325243 5.898364 4.980802 4.031067 3.504942 4.265355 6.195485 7.066316 6.020483 3.400374 4.019728 3.876019 3.098508 2.212904 3.742676 3.522456 3.492236 3.729650 4.601533 3.640982 5.038842 1.807719 2.183597 2.102786 0.983955 0.000000 0.980242 6.173474 6.511193 3.161063 3.408477 3.946693 4.099695 3.272830 4.880724 6.716264 6.371818 6.491816 7.206046 4.672731 5.072651 3.993517 5.810106 6.728911 5.291285 3.422314 4.200508 3.368991 3.075679 3.679318 2.170697 4.931636 5.242123 4.359312 5.758954 5.693889 6.386214 1.812431 2.208021 2.419448 4.344735 3.986689 3.691369 3.937007 3.074014 4.101157 5.835226 5.118694 0.000000 7.494654 4.136451 5.999039 8.128512 8.082904 6.345224 6.753829 7.458560 6.555302 4.439334 3.905723 6.857283 7.428434 7.573106 7.090006 7.556542 6.114539 6.532020 5.919878 5.049001 4.301772 5.307404 7.610769 8.492727 7.496110 4.121241 4.738819 4.759442 3.212019 2.273217 3.652948 5.002435 4.849891 5.130440 5.810192 4.902527 6.363126 3.216174 3.721217 3.300868 0.965263 1.547778 6.626570 0.000000 0.981908 6.351743 6.209938 1.813235 2.294681 3.414197 3.519357 2.193614 4.299131 6.826252 6.607916 5.958868 6.614526 4.158750 4.816795 3.581266 6.010025 6.951493 5.679435 3.630735 4.554846 3.329704 3.095358 3.606982 2.185200 5.254012 5.511929 4.468364 6.285459 6.436388 6.913276 3.124345 3.105572 3.771352 5.095237 4.914039 4.292088 5.026040 4.265264 4.924637 6.892619 6.213301 1.550678 7.648139 0.000000 H30O15 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 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.6499,.3094,-2.497;-2.4708,.381,1.7671;-2.438,2.488,1.4638;1.5728,2.8286,-1.9546;.9057,3.0191,-2.6259;.253,1.9036,.2982;1.0289,1.7445,.8905;1.059,2.5765,-1.1556;-.3755,2.4987,.7648;-3.2759,.9056,1.5847;-3.5382,.5942,.6947;-1.8723,3.2893,1.3699;-1.7771,3.6379,2.2647;2.4208,1.2165,1.8064;2.0712,.5365,2.4135;2.9161,.6955,1.1382;1.3503,-1.0353,3.143;1.4233,-1.4339,4.0184;1.7222,-1.6865,2.4998;-1.2926,.8899,-1.8842;-2.1352,.5286,-1.535;-.7953,1.2034,-1.1072;3.6303,-.422,-.0871;4.592,-.4797,-.1449;3.3153,-.1589,-.9902;-.8291,-.4319,1.5418;-.16,-.6163,2.234;-.4706,.333,1.0484;-3.6666,-.2124,-.9528;-3.4976,-1.1827,-.8834;-4.4403,-.1145,-1.5213;.2957,-1.18,-2.5648;-.3385,-.435,-2.4017;.0076,-1.6038,-3.3828;2.2475,-2.5702,1.0628;1.4025,-2.6349,.5738;2.7524,-1.866,.6049;-.3139,-2.5067,-.1987;-.0741,-2.0903,-1.0552;-.5151,-1.7519,.4019;-3.023,-2.8662,-.736;-2.0612,-2.8289,-.5316;1.8539,-.2547,-2.5923;-3.4319,-3.2559,.0467;2.2936,1.2125,-2.3504; 0.3025487 0.2370598 0.2255625 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= 855 RedAO= T EigKep= 6.89D-05 NBF= 855 NBsUse= 855 1.00D-06 EigRej= -1.00D+00 NBFU= 855 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= 931 925 931 931 931 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.23961139710 -1147.26818480234 -0.028573405236 -1147.26830055803 -0.000115755686 -1147.26832209126 -0.000021533237 -1147.26833333983 -0.000011248566 -1147.26833341946 -0.000000079634 -1147.26833345586 -0.000000036393 -1147.26833345612 -0.000000000259 -1147.26833345628 -0.000000000168 -1147.26833346 9 1.143207036715e+03 -5.623764025542e+03 1.877197415505e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15097683824 LenY= 15096789854 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. PT4287.200S Thu Jul 18 23:14:14 2024 -19.12903 -19.12813 -19.12779 -19.12633 -19.12540 -19.12257 -19.12256 -19.12220 -19.12165 -19.11680 -19.11657 -19.11482 -19.11426 -19.11343 -19.11248 -1.02942 -1.02310 -1.02053 -1.01905 -1.01696 -1.01205 -1.01124 -1.00781 -1.00695 -1.00188 -0.99829 -0.99485 -0.99239 -0.99044 -0.98772 -0.54416 -0.54340 -0.53932 -0.53800 -0.53425 -0.53279 -0.53123 -0.52958 -0.52763 -0.52702 -0.52331 -0.52190 -0.51972 -0.51886 -0.51654 -0.44174 -0.43784 -0.42753 -0.42643 -0.41937 -0.41321 -0.40326 -0.40133 -0.39912 -0.39399 -0.39071 -0.38614 -0.37986 -0.37597 -0.36499 -0.33059 -0.32945 -0.32854 -0.32744 -0.32702 -0.32592 -0.32258 -0.32121 -0.32033 -0.31893 -0.31874 -0.31678 -0.31591 -0.31551 -0.31432 -0.00262 0.02591 0.03328 0.03363 0.05631 0.05807 0.06395 0.07685 0.08146 0.08881 0.09788 0.10597 0.10843 0.11120 0.11543 0.11660 0.11983 0.13255 0.13509 0.13819 0.14664 0.14990 0.15245 0.15288 0.16076 0.16355 0.16963 0.17210 0.17569 0.17857 0.18328 0.18451 0.19001 0.19214 0.19576 0.19877 0.20596 0.20930 0.21010 0.21898 0.22093 0.22581 0.22823 0.23118 0.23926 0.24324 0.24427 0.24832 0.25152 0.25350 0.25715 0.25958 0.26427 0.26795 0.27021 0.27178 0.27503 0.27714 0.28042 0.28276 0.28627 0.28762 0.29160 0.29460 0.29814 0.29927 0.30500 0.30925 0.31327 0.31814 0.32117 0.33205 0.33717 0.34792 0.37470 0.37641 0.38535 0.39067 0.39828 0.41968 0.42792 0.42937 0.43661 0.45732 0.46203 0.46552 0.46903 0.48065 0.49138 0.49627 0.50004 0.50903 0.51201 0.51329 0.51926 0.52274 0.52701 0.53278 0.53997 0.54528 0.54690 0.55324 0.55844 0.56066 0.56448 0.57257 0.57394 0.57981 0.58312 0.59591 0.60093 0.60150 0.60750 0.61781 0.62338 0.63030 0.63861 0.64280 0.64545 0.64806 0.65794 0.66182 0.66923 0.67122 0.67667 0.68517 0.68866 0.69195 0.70144 0.70356 0.71604 0.72191 0.72628 0.73146 0.73547 0.74408 0.75607 0.76286 0.77294 0.77561 0.78908 0.79111 0.79381 0.80134 0.80409 0.81797 0.81879 0.82905 0.83220 0.83944 0.84299 0.84510 0.85082 0.85810 0.86581 0.86703 0.87526 0.87872 0.88113 0.88480 0.88924 0.89442 0.89732 0.90169 0.90855 0.91355 0.91608 0.92419 0.92526 0.93283 0.93740 0.94104 0.94593 0.94961 0.95485 0.95582 0.96158 0.97124 0.97377 0.97570 0.98000 0.99074 0.99629 0.99926 1.00704 1.01441 1.01619 1.01958 1.02595 1.02939 1.03604 1.04032 1.04327 1.04675 1.04946 1.05501 1.05592 1.06498 1.07298 1.07573 1.07853 1.08168 1.08459 1.08817 1.09242 1.09937 1.10207 1.10511 1.11027 1.11540 1.12100 1.12755 1.13172 1.13329 1.14649 1.14947 1.15187 1.15594 1.16026 1.16451 1.16737 1.17383 1.18033 1.18260 1.18620 1.19321 1.20314 1.20637 1.21604 1.22184 1.23059 1.23324 1.24381 1.24972 1.25245 1.26557 1.26813 1.27299 1.28515 1.29168 1.29782 1.30176 1.30851 1.31545 1.32552 1.33115 1.33585 1.34688 1.35496 1.35621 1.36107 1.36745 1.37923 1.37980 1.38839 1.39327 1.40129 1.40643 1.41352 1.41748 1.42784 1.43206 1.43822 1.44258 1.44828 1.45283 1.46772 1.47431 1.48978 1.49402 1.50882 1.51598 1.53198 1.53483 1.54428 1.55207 1.55482 1.56304 1.56543 1.57053 1.57763 1.57964 1.58955 1.59413 1.59894 1.60740 1.61275 1.62569 1.63328 1.63969 1.64373 1.65214 1.67425 1.67821 1.67947 1.71296 1.71733 1.73931 1.75141 1.75475 1.76238 1.78870 1.80336 1.81416 1.82046 1.83681 1.85778 1.86789 1.88237 1.89870 1.91801 1.93284 1.95217 1.97125 1.98143 2.01570 2.04120 2.06153 2.06631 2.08799 2.10036 2.10324 2.11849 2.13191 2.14983 2.16639 2.19381 2.21065 2.21295 2.23505 2.23558 2.23924 2.24733 2.27419 2.27791 2.29132 2.30021 2.31989 2.33606 2.34640 2.35552 2.35732 2.37374 2.39157 2.44782 2.71257 2.71950 2.72676 2.72871 2.74419 2.75457 2.76082 2.76285 2.77604 2.77998 2.79482 2.80853 2.81475 2.81887 2.82941 2.84922 2.86590 2.87361 2.88784 2.89772 2.90868 2.93595 2.94123 2.97673 2.97785 2.99761 3.02418 3.06500 3.08092 3.10359 3.11154 3.12478 3.15455 3.16029 3.16293 3.17241 3.17713 3.18023 3.19136 3.20216 3.21368 3.22468 3.22823 3.23097 3.24251 3.25318 3.26699 3.28017 3.28394 3.29119 3.30649 3.31231 3.31912 3.32197 3.33500 3.34141 3.34765 3.35342 3.36281 3.36694 3.36878 3.37859 3.39584 3.40840 3.41221 3.41466 3.42014 3.42710 3.43637 3.43953 3.44144 3.45276 3.45393 3.46198 3.46923 3.47341 3.48185 3.48487 3.49178 3.49304 3.49443 3.50739 3.51228 3.52386 3.53089 3.53886 3.54139 3.54469 3.55828 3.56090 3.56979 3.57551 3.59494 3.60539 3.60905 3.61939 3.61985 3.63118 3.63379 3.64068 3.65404 3.67163 3.70916 3.74996 3.80836 3.81315 3.82064 3.83299 3.83419 3.83925 3.85234 3.86443 3.93187 3.95392 3.96748 3.97515 3.98641 3.99840 4.00710 4.02168 4.02673 4.03491 4.04291 4.04662 4.05494 4.07318 4.09649 4.11065 4.12803 4.13019 4.14063 4.14422 4.15757 4.16364 4.17729 4.17933 4.18643 4.19848 4.20382 4.21037 4.22426 4.23378 4.23873 4.24816 4.25689 4.26133 4.27036 4.27793 4.30557 4.31072 4.32999 4.33890 4.34332 4.35683 4.36394 4.37384 4.38090 4.38441 4.39576 4.41409 4.42892 4.43787 4.45744 4.47820 4.52194 4.63794 4.64277 4.64480 4.65235 4.65412 4.65700 4.66494 4.72413 4.73341 4.75418 4.76947 4.78433 4.79935 4.80404 4.83314 4.85237 4.85340 4.86688 4.87902 4.88115 4.88429 4.88816 4.90126 4.90838 4.92166 4.93661 4.95135 4.96038 4.98655 5.02678 5.02871 5.03321 5.04563 5.04739 5.05395 5.05644 5.06186 5.06556 5.07305 5.09910 5.12635 5.13548 5.16285 5.16339 5.16898 5.17080 5.17891 5.20237 5.21251 5.21762 5.22513 5.22662 5.23936 5.25245 5.26773 5.27277 5.28307 5.28609 5.29112 5.29177 5.29593 5.30510 5.30793 5.31434 5.31978 5.32749 5.32988 5.33727 5.34241 5.34725 5.35675 5.36436 5.36960 5.37170 5.37354 5.39276 5.39552 5.39871 5.40318 5.40861 5.41554 5.41773 5.42086 5.42519 5.43316 5.44062 5.44861 5.45103 5.46007 5.46303 5.46854 5.47460 5.47777 5.48723 5.49049 5.49981 5.51202 5.51810 5.54011 5.55440 5.55788 5.56472 5.57473 5.57918 5.58001 5.58320 5.58620 5.58927 5.59480 5.59614 5.59978 5.60408 5.60825 5.61018 5.61390 5.62143 5.62764 5.64821 5.65503 5.65999 5.66525 5.67566 5.68076 5.69951 5.70562 5.71613 5.72410 5.73190 5.73940 5.75185 5.75521 5.76173 5.77844 5.78898 5.79891 5.82922 5.83655 5.84698 5.85796 5.87735 5.90288 5.90917 5.92087 5.94496 5.95904 5.96922 5.97532 6.00829 6.03553 6.06463 6.93415 6.94327 6.95006 6.95864 6.96325 6.97054 6.97694 6.98285 6.99311 6.99832 7.00427 7.01252 7.01590 7.01700 7.02663 7.03144 7.04117 7.05252 7.05588 7.06360 7.07542 7.09060 7.09564 7.09992 7.10790 7.12734 7.14812 7.15675 7.16422 7.19284 14.36317 14.36975 14.37618 14.37817 14.38020 14.38426 14.38664 14.38802 14.39070 14.39244 14.39608 14.39943 14.40119 14.40363 14.40653 14.40877 14.41222 14.41390 14.41582 14.41891 14.42215 14.42791 14.42959 14.43602 14.44227 14.44736 14.45228 14.45385 14.45507 14.46416 14.46810 14.47045 14.47592 14.47904 14.48457 14.49128 14.49574 14.50192 14.50385 14.50941 14.51614 14.52003 14.53626 14.57066 14.59149 14.66930 14.66980 14.67290 14.67441 14.67604 14.68035 14.68582 14.68988 14.69742 14.70937 14.71234 14.72093 14.73679 14.80707 14.81468 15.05047 15.05713 15.05934 15.06288 15.06574 15.07050 15.07495 15.07549 15.07834 15.07891 15.08039 15.08733 15.08942 15.09616 15.10332 50.01229 50.01627 50.02491 50.02991 50.03516 50.04013 50.04703 50.06141 50.06516 50.07130 50.07986 50.08763 50.11425 50.12416 50.16986 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.886359 0.400186 0.482021 -0.759535 0.283792 -1.010946 0.519863 0.477528 0.475479 -0.836187 0.404202 -0.789763 0.292115 -0.833137 0.372681 0.444473 -0.754658 0.328725 0.438420 -0.922668 0.474238 0.454645 -0.814390 0.304329 0.508338 -0.881735 0.429313 0.487779 -0.759228 0.478621 0.305106 -0.826741 0.524163 0.297796 -0.865007 0.421820 0.448697 -0.962768 0.464609 0.509161 -0.801525 0.493146 0.432937 0.297855 0.452609 -0.00000 -3.3848 -2.8061 1.2738 4.5775 -102.8823 -120.5364 -87.7310 1.9418 12.8805 0.9891 0.8343 -16.8198 15.9856 1.9418 12.8805 0.9891 -11.9657 7.9043 42.5440 -43.0721 -54.2110 -25.7938 -22.8230 -24.6050 25.1263 10.0633 -2574.3820 -2384.1546 -1453.2010 53.0632 267.8290 70.4363 49.6177 179.3445 -16.2349 -1030.6297 -978.4750 -520.2805 -53.3641 -93.9487 -93.9115 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HORCAJUELO LAMSABHI 18-Jul-2024 0 Single Point 15-agua/ CONF349 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2683335 RMSD=3.425e-09 Dipole=0.6109773,-0.8750457,-1.4506306 Quadrupole=16.4503519,-12.131472,-4.3188799,3.943382,3.0472643,0.5307957 PG=C01 [X(H30O15)] 0 0.306099881 0.0323281619 3.6382501267 0 0.0000460616 0.6604883246 -2.9890330689 0 -0.1870202773 2.7425464908 -2.5853499742 0 0.0378241107 2.6456405872 2.689890291 0 0.9218282937 3.0227495488 2.5993117075 0 -0.7614889808 1.7744259811 0.184957376 0 -1.6543726918 1.4150218061 0.4122511784 0 -0.2331256471 2.4195019954 1.7726461327 0 -0.8672841023 2.4299009213 -0.5402703237 0 0.5198289123 1.3431530923 -3.4586663582 0 1.4308334394 1.1743233707 -3.1434485474 0 -0.6034452904 3.4274512691 -2.0123115836 0 -1.4261593878 3.6638197974 -2.4578570661 0 -3.095007941 0.5472953824 0.8883849029 0 -3.2313405005 -0.1095122759 0.1790511688 0 -2.7668480824 0.008871989 1.6404250785 0 -3.0715429014 -1.579304059 -0.9770719086 0 -3.7224222457 -2.0670233901 -1.495774248 0 -2.6645896065 -2.2240618941 -0.3487826741 0 2.056199873 1.2867742594 0.2295088928 0 2.3529502895 1.0594880695 -0.6775149818 0 1.0936449802 1.4241282287 0.167939978 0 -2.0186801343 -1.1002556414 2.8531417746 0 -2.5333193319 -1.3330165512 3.635668752 0 -1.1765340093 -0.6964529308 3.1873271161 0 -0.6423100475 -0.4228218404 -1.6398426601 0 -1.5449847481 -0.7963736445 -1.5599593099 0 -0.6164689945 0.3042786099 -0.9859111149 0 2.9494005745 0.5692171737 -2.3013856657 0 2.9812520542 -0.4176425912 -2.300011143 0 3.8342233226 0.8661220657 -2.5471850598 0 2.0427415451 -0.9708892908 1.703655961 0 2.1486563894 -0.1385983386 1.1746632281 0 2.9344382378 -1.2516297401 1.9441824068 0 -1.6837846093 -3.0485027751 0.8678454659 0 -0.7875943652 -2.9045993893 0.5024887012 0 -1.7609740161 -2.4118052601 1.6089085088 0 0.8104434903 -2.3800371986 -0.3520210923 0 1.2574822699 -1.9360087528 0.4012518011 0 0.3155781926 -1.6622821555 -0.8112663604 0 2.9076754966 -2.1668170218 -2.1722986926 0 2.1697977696 -2.3320507919 -1.5426941492 0 0.9614923374 -0.3590231956 3.023287535 0 2.6136101726 -2.5456099936 -3.0100180143 0 0.2296118739 0.9681893887 3.3510976509