Gaussian 16 GINC-CABRERA LAMSABHI Optimization 15-agua/ CONF777 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:-.5737,-.5251,1.2811;-.539,3.4778,-.27;2.6714,1.6421,1.7332;3.6272,.1514,-1.1398;4.3464,.3966,-1.7297;1.7648,2.0972,-1.085;1.8605,2.2945,-.1271;2.9679,.8871,-1.1914;.9727,1.5248,-1.1471;-1.3509,3.4588,.2481;-1.1078,2.9391,1.0438;2.1584,2.4678,1.6194;1.2698,2.2684,1.9674;-2.2984,-3.3582,-1.3562;-1.4959,-2.9308,-1.7226;-1.9965,-4.2214,-1.0584;-2.7963,-1.9236,.9455;-3.4264,-1.2309,.6541;-2.6216,-2.4513,.1371;-2.7365,1.7052,-1.2299;-2.3082,2.4056,-.6763;-3.0401,2.1494,-2.0281;-4.522,.0376,.0372;-3.9153,.6649,-.4065;-4.9572,-.4238,-.6859;2.4141,-2.3472,-1.0141;2.855,-1.4897,-1.1724;1.5751,-2.2979,-1.5123;-.3514,.3242,-1.2521;-.3997,.025,-.3093;-1.2076,.7763,-1.4013;1.723,-1.9149,1.5247;1.769,-2.7383,2.0207;1.9678,-2.1441,.5897;-.4783,1.903,2.3253;-.5639,.9658,2.0217;-.8208,1.9326,3.2239;-.0523,-2.0993,-2.2889;-.2013,-1.1655,-1.9922;-.0006,-2.0612,-3.2496;3.6841,.1303,1.698;3.8437,.156,.7379;-1.3883,-1.0908,1.2081;3.0289,-.5837,1.7915;.1997,-1.1135,1.4314; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6372118/Gau-118491.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6372118/" chk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF777/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/ CONF777 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 R51 R52 1 1 1 1 2 3 3 4 4 4 4 6 6 6 7 9 10 10 11 12 13 14 14 14 15 17 17 17 18 20 20 20 20 23 23 26 26 26 28 29 29 29 32 32 32 32 35 35 38 38 41 41 30 36 43 45 10 12 41 5 8 27 42 7 8 9 12 29 11 21 35 13 35 15 16 19 38 18 19 43 23 21 22 24 31 24 25 27 28 34 38 30 31 39 33 34 44 45 36 37 39 40 42 44 1.6918 1.6648 0.9944 0.9834 0.9633 0.9787 1.82 0.9619 0.9892 1.814 1.8902 0.9827 1.7097 0.9792 1.7801 1.7904 0.9809 1.6971 1.7641 0.975 1.8214 0.9803 0.9617 1.7768 1.7595 0.9807 0.981 1.6568 1.7861 0.9902 0.9627 1.7747 1.7972 0.979 0.9619 0.977 0.9771 1.6771 1.8141 0.9903 0.9797 1.6701 0.9624 0.9933 1.8838 1.7237 0.9888 0.9621 0.9911 0.9629 0.9736 0.9736 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 30 30 30 36 36 43 5 5 5 8 8 27 7 7 8 2 2 11 3 3 7 15 15 16 18 18 19 21 21 21 22 22 24 18 18 24 27 27 28 9 9 9 30 30 31 33 33 33 34 34 44 11 11 11 13 13 36 15 15 15 28 28 39 3 3 42 4 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 10 10 10 12 12 12 14 14 14 17 17 17 20 20 20 20 20 20 23 23 23 26 26 26 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 42 36 43 45 43 45 45 8 27 42 27 42 42 8 9 9 11 21 21 7 13 13 16 19 19 19 43 43 22 24 31 24 31 31 24 25 25 28 34 34 30 31 39 31 39 39 34 44 45 44 45 45 13 36 37 36 37 37 28 39 40 39 40 40 42 44 44 41 97.2626 101.5437 104.917 123.1574 117.5975 108.3669 106.0664 122.5404 121.5289 112.8413 97.2544 93.9438 97.7161 104.95 98.7159 103.7595 101.2282 104.6435 96.8728 105.2864 100.2404 104.4796 103.9139 104.7723 104.4466 103.7714 104.4554 105.8817 116.263 92.9204 116.4691 115.3218 107.8407 103.3833 101.334 104.3062 105.1077 99.7159 104.6563 100.5361 110.2308 123.8938 103.9823 99.022 115.0056 106.0226 119.8931 117.9021 97.2088 105.9128 106.9619 94.6988 107.6221 122.2321 102.2915 121.2652 106.5668 123.1293 103.0378 112.5769 96.3054 112.5355 105.6281 95.0669 103.4614 102.9641 163.9024 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 12 6 4 6 10 12 14 17 14 10 20 4 26 1 20 26 1 29 1 32 1 12 6 4 6 10 12 14 17 14 10 20 4 26 1 20 26 1 29 1 32 1 3 7 8 9 11 13 15 18 19 21 24 27 28 30 31 34 36 39 43 44 45 3 7 8 9 11 13 15 18 19 21 24 27 28 30 31 34 36 39 43 44 45 41 12 6 29 35 35 38 23 17 20 23 26 38 29 29 32 35 38 17 41 32 41 12 6 29 35 35 38 23 17 20 23 26 38 29 29 32 35 38 17 41 32 1 1 1 2 4 2 1 2 3 1 1 1 1 2 2 2 3 4 20 2 3 1 1 1 2 4 2 1 2 3 1 1 1 1 2 2 2 3 4 20 2 3 -1 -1 -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 -2 -2 181.0446 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 178.1044 173.8239 185.8791 171.4301 171.3963 176.3688 178.4116 179.0497 173.3708 177.1089 172.5007 173.8558 181.2635 171.2497 174.6057 174.0728 175.8729 173.7004 173.3404 170.9386 172.0403 172.9937 176.1161 182.3739 180.3418 175.5319 180.262 177.0205 178.2976 186.2027 182.9263 187.5569 179.2422 183.3443 167.904 183.5527 172.2348 171.2577 178.7554 192.1085 186.4087 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 30 30 36 36 45 45 36 36 36 43 43 43 45 45 45 30 30 30 36 36 36 43 43 43 30 30 30 43 43 43 45 45 45 5 5 27 27 42 42 5 5 8 8 42 42 8 8 9 9 7 7 7 8 8 8 2 2 2 11 11 11 2 2 2 21 21 21 3 3 3 7 7 7 7 7 13 13 5 8 27 15 15 16 16 16 16 16 19 19 19 19 19 43 43 21 21 22 22 31 31 21 21 21 22 22 22 24 24 24 27 27 27 28 28 28 27 27 27 34 34 34 9 9 9 30 30 30 31 31 31 33 33 34 34 45 45 3 44 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 4 4 4 14 14 14 14 14 14 14 14 14 14 17 17 17 17 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 26 26 26 26 26 26 26 26 26 26 26 26 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 41 41 17 17 17 17 17 17 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 32 32 32 35 35 35 35 35 35 35 35 35 6 6 6 6 6 6 26 26 26 26 26 26 12 12 12 12 29 29 29 29 29 29 20 20 20 20 20 20 35 35 35 35 35 35 35 35 35 35 35 35 41 41 41 41 42 42 42 17 17 17 17 38 38 38 38 38 38 23 23 23 23 23 23 23 23 23 23 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 41 41 41 41 41 41 42 42 18 19 18 19 18 19 9 31 39 9 31 39 9 31 39 33 34 44 33 34 44 33 34 44 11 13 37 11 13 37 11 13 37 7 9 7 9 7 9 28 34 28 34 28 34 3 13 3 13 30 31 39 30 31 39 22 24 31 22 24 31 13 36 37 13 36 37 11 36 37 11 36 37 42 44 42 44 41 41 41 18 43 18 43 28 39 40 28 39 40 24 25 24 25 18 25 18 25 18 25 9 30 39 9 30 39 9 30 39 33 44 45 33 44 45 15 39 40 15 39 40 15 28 40 15 28 40 15 28 40 3 42 3 42 3 42 4 4 -60.9143 47.371 42.956 151.2412 -170.4126 -62.1274 46.8908 -67.497 174.4718 172.7706 58.3828 -59.6485 -74.6993 170.9129 52.8817 -143.223 -23.7606 77.4957 114.2063 -126.3313 -25.0751 -35.8807 83.5817 -175.1621 28.1898 -68.7263 162.4302 -79.0099 -175.926 55.2305 137.2505 40.3343 -88.5091 -118.111 135.9232 102.785 -3.1808 7.2817 -98.6841 -100.2689 153.3264 31.258 -75.1467 129.2759 22.8711 -14.7214 -121.2372 85.171 -21.3448 -17.1617 92.6123 -124.4869 82.1408 -168.0853 -25.1845 -75.3 149.2555 40.5006 178.2382 42.7938 -65.9612 20.5238 -83.0227 152.3355 124.4486 20.9021 -103.7397 -142.4307 -34.0193 85.3705 -43.9549 64.4564 -176.1537 19.8901 -84.1151 121.4336 17.4285 168.4591 54.5432 -59.0986 93.1633 -15.0356 -157.4145 94.3865 -36.5408 -142.1829 104.6053 72.4186 -33.2235 -146.4353 -78.6616 28.8236 29.7333 137.2185 -87.2163 168.0718 145.5668 40.855 14.8343 -89.8775 -30.3316 72.6925 177.1128 77.5271 -179.4488 -75.0286 -147.532 -44.5079 59.9123 -145.5278 -21.7188 86.9774 106.6501 -129.5409 -20.8447 -149.4963 -40.8813 68.5641 -46.3697 62.2454 171.6907 165.0293 40.4786 -74.6109 58.2852 -66.2654 178.645 -50.78 -175.3306 69.5798 -138.3571 125.5241 110.1225 14.0038 2.5784 -93.5404 -62.5359 42.5476 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1447.6046862014 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= 7.98D-05 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Berny optimization. local minimum Step number 29 out of a maximum of 270 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00043 0.00107 0.00240 0.00262 0.00288 0.00309 0.00364 0.00378 0.00396 0.00421 0.00470 0.00488 0.00528 0.00605 0.00652 0.00706 0.00795 0.00866 0.00962 0.01014 0.01147 0.01385 0.01514 0.01685 0.01784 0.01922 0.02390 0.02512 0.02741 0.02827 0.03053 0.03102 0.03224 0.03307 0.03436 0.03569 0.03602 0.03623 0.03690 0.03907 0.04063 0.04100 0.04181 0.04218 0.04294 0.04409 0.04475 0.04516 0.04683 0.04747 0.04833 0.04919 0.05017 0.05078 0.05116 0.05192 0.05265 0.05346 0.05372 0.05437 0.05662 0.05737 0.05791 0.05840 0.05894 0.05941 0.06039 0.06245 0.06299 0.06347 0.06360 0.06420 0.06509 0.06555 0.06577 0.06684 0.06745 0.06817 0.06872 0.06948 0.07106 0.07270 0.07345 0.07355 0.07573 0.07697 0.07766 0.07825 0.08043 0.08348 0.08508 0.08879 0.09230 0.09375 0.09745 0.09838 0.10534 0.11023 0.11781 0.36413 0.38502 0.39416 0.42339 0.44031 0.44407 0.44978 0.46365 0.46762 0.47846 0.48145 0.48446 0.48897 0.49485 0.49842 0.50073 0.50297 0.50380 0.50726 0.50912 0.51481 0.52867 0.54815 0.54881 0.54886 0.54951 0.55040 0.55076 0.55234 0.59544 -2.41471275e-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 R51 R52 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 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 3.30239 3.25332 1.86688 1.85596 1.83112 1.85528 3.43835 1.82361 1.86502 3.45375 3.51333 1.85936 3.36715 1.85828 3.41190 3.38144 1.85552 3.31768 3.39491 1.84775 3.46386 1.85825 1.82381 3.41776 3.36502 1.85488 1.85464 3.28902 3.40785 1.86708 1.82368 3.38519 3.42969 1.85483 1.82371 1.85067 1.85070 3.26789 3.45679 1.86647 1.85166 3.23501 1.82367 1.87256 3.50796 3.34872 1.86491 1.82294 1.87190 1.82443 1.84813 1.84782 1.61945 1.73872 1.84242 2.14856 2.12556 1.88087 1.85709 2.13121 2.16068 1.98830 1.73226 1.55427 1.67040 1.83473 1.67380 1.81216 1.79189 1.77827 1.68570 1.84483 1.71204 1.83596 1.86119 1.91508 1.84230 1.74270 1.81299 1.85799 2.06432 1.60177 2.07027 2.10291 1.72277 1.93250 1.94563 1.83411 1.83617 1.77074 1.86092 1.77543 1.85334 2.16025 1.83090 1.77749 2.01915 1.85584 2.11922 2.10970 1.66404 1.84860 1.79944 1.53339 1.96614 2.14589 1.78308 2.13472 1.86210 2.08614 1.80643 2.00042 1.66394 1.99098 1.84996 1.68553 1.86538 1.80887 2.91764 3.18286 3.10554 2.95348 3.18509 3.03596 2.96481 3.05960 3.07973 3.10817 2.94862 3.07697 3.05475 3.02343 3.17762 2.96783 3.00488 3.01593 3.05641 2.98269 3.01649 3.00544 2.97682 3.06194 3.05705 3.15203 3.15894 3.05971 3.19099 3.22086 3.17069 3.23175 3.15034 3.24879 3.13011 3.15412 3.00446 3.22404 3.00127 2.97657 3.12978 3.32953 3.26263 -1.01404 0.86834 0.66249 2.54487 -2.91571 -1.03333 0.84183 -1.09513 3.08581 3.01140 1.07443 -1.02781 -1.32856 3.01766 0.91542 -2.50420 -0.38552 1.32845 2.05249 -2.11201 -0.39804 -0.67279 1.44590 -3.12332 0.27546 -1.29738 2.71639 -1.49530 -3.06814 0.94563 2.15834 0.58550 -1.68392 -2.05006 2.39410 1.77292 -0.06610 0.20150 -1.63753 -1.76369 2.60278 0.54729 -1.36943 2.26664 0.34992 -0.34127 -2.20343 1.34828 -0.51388 -0.19734 1.71803 -2.16137 1.49740 -2.87041 -0.46663 -1.41980 2.37678 0.68615 3.01416 0.52756 -1.16307 0.48754 -1.28727 2.71623 2.32496 0.55015 -1.72954 -2.41147 -0.45529 1.64738 -0.71544 1.24075 -2.93977 0.34402 -1.49797 2.07261 0.23062 2.81832 0.77702 -1.21425 1.44764 -0.37572 -2.86396 1.59588 -0.68226 -2.48119 1.80807 1.34300 -0.45593 -2.44986 -1.15129 0.89936 0.71897 2.76963 -1.64302 2.53962 2.33115 0.23061 0.03291 -2.06763 -0.45134 1.36713 -2.97471 1.44154 -3.02318 -1.08184 -2.51593 -0.69746 1.24388 -2.51498 -0.34409 1.46473 1.87059 -2.24170 -0.43288 -2.59168 -0.71628 1.19830 -0.74967 1.12573 3.04030 2.85155 0.75022 -1.27786 0.92924 -1.17209 3.08302 -1.02926 -3.13060 1.12451 -2.39987 2.16427 1.94354 0.22449 0.08238 -1.63667 -0.92700 0.97874 0.00000 0.00002 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00002 0.00001 0.00003 -0.00000 0.00002 0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00000 0.00002 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00002 -0.00002 0.00000 -0.00000 -0.00002 0.00001 -0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00002 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 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 -0.00001 0.00001 0.00000 0.00002 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00014 0.00035 0.00000 0.00002 0.00002 0.00003 -0.00004 0.00001 -0.00000 0.00002 0.00030 -0.00001 0.00032 0.00001 0.00035 0.00024 -0.00001 0.00038 0.00024 0.00003 -0.00004 0.00003 0.00002 0.00010 0.00005 0.00004 0.00002 0.00016 -0.00003 -0.00001 0.00002 0.00006 0.00017 0.00002 0.00002 0.00001 0.00002 0.00014 0.00003 0.00003 0.00000 0.00039 0.00003 0.00006 -0.00036 0.00005 -0.00001 0.00001 0.00000 0.00002 -0.00001 0.00007 -0.00046 -0.00005 0.00002 0.00021 0.00004 0.00003 0.00008 0.00014 -0.00008 -0.00003 -0.00012 -0.00007 0.00004 -0.00005 -0.00008 0.00005 0.00024 -0.00001 -0.00013 -0.00002 -0.00005 0.00001 -0.00005 -0.00027 -0.00003 -0.00020 0.00033 -0.00003 0.00044 -0.00004 0.00031 -0.00048 -0.00033 0.00019 0.00001 0.00004 -0.00001 0.00011 0.00005 0.00058 -0.00019 -0.00016 0.00003 0.00017 -0.00022 -0.00017 0.00014 -0.00000 -0.00030 0.00024 0.00005 -0.00036 0.00028 0.00029 -0.00000 -0.00028 -0.00000 0.00012 0.00015 -0.00003 0.00004 -0.00020 -0.00003 0.00020 0.00016 -0.00016 0.00040 0.00006 -0.00022 -0.00010 -0.00024 0.00018 0.00017 -0.00002 0.00035 -0.00036 -0.00014 -0.00003 -0.00030 -0.00032 0.00018 0.00009 0.00047 0.00002 -0.00009 -0.00021 -0.00021 0.00005 0.00002 0.00012 0.00000 0.00014 0.00029 0.00015 -0.00007 0.00001 0.00006 0.00006 -0.00013 0.00041 0.00003 -0.00057 -0.00021 -0.00049 0.00011 0.00001 0.00002 0.00020 0.00015 0.00046 0.00042 -0.00016 -0.00021 0.00049 0.00045 0.00013 0.00005 0.00014 0.00027 0.00019 0.00028 0.00028 0.00019 0.00029 0.00043 0.00035 0.00008 0.00100 0.00092 0.00065 0.00033 0.00025 -0.00001 -0.00051 -0.00017 0.00019 -0.00017 0.00017 0.00053 -0.00074 -0.00041 -0.00005 0.00056 0.00061 0.00027 0.00032 0.00041 0.00047 -0.00040 -0.00042 0.00002 -0.00000 -0.00021 -0.00024 -0.00011 -0.00005 -0.00018 -0.00012 0.00031 0.00047 -0.00029 0.00035 0.00051 -0.00025 0.00079 -0.00025 0.00020 0.00069 -0.00035 0.00011 -0.00008 0.00002 -0.00053 0.00018 0.00027 -0.00027 0.00008 0.00031 0.00011 -0.00003 0.00020 0.00001 -0.00040 -0.00033 -0.00049 -0.00043 -0.00200 -0.00197 -0.00191 -0.00073 -0.00056 -0.00093 -0.00076 0.00101 0.00083 0.00078 0.00065 0.00047 0.00042 -0.00037 -0.00017 -0.00002 0.00018 0.00031 0.00012 -0.00054 -0.00073 0.00016 -0.00003 -0.00023 0.00035 0.00041 -0.00036 0.00022 0.00028 -0.00066 -0.00008 -0.00002 -0.00010 -0.00004 0.00005 -0.00021 -0.00016 -0.00006 -0.00051 -0.00034 -0.00042 -0.00043 -0.00027 -0.00034 0.00023 0.00008 0.00031 -0.00058 -0.00073 -0.00050 -0.00067 -0.00083 -0.00060 -0.00055 -0.00068 -0.00010 -0.00023 -0.00025 -0.00039 0.00191 0.00211 0.00004 0.00023 -0.00000 -0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00004 0.00008 -0.00000 -0.00012 -0.00003 0.00011 0.00031 -0.00001 0.00015 0.00012 -0.00001 0.00012 -0.00003 -0.00000 0.00001 0.00021 -0.00001 -0.00001 0.00007 0.00009 -0.00001 0.00000 0.00006 0.00002 -0.00003 -0.00002 0.00000 -0.00001 -0.00006 0.00016 -0.00002 0.00001 0.00014 -0.00000 0.00001 0.00016 0.00017 -0.00002 -0.00000 -0.00002 -0.00000 -0.00001 -0.00002 0.00019 0.00002 0.00001 0.00004 -0.00019 0.00002 0.00001 0.00018 -0.00001 -0.00009 -0.00005 -0.00010 0.00002 -0.00005 0.00010 0.00003 -0.00004 0.00008 -0.00020 -0.00000 0.00021 -0.00002 -0.00005 -0.00018 0.00002 -0.00003 0.00009 -0.00002 0.00009 -0.00012 0.00002 -0.00025 0.00023 -0.00007 -0.00022 0.00010 0.00001 0.00010 -0.00001 0.00022 0.00005 -0.00007 -0.00005 0.00005 -0.00014 0.00000 0.00002 -0.00007 0.00008 0.00002 -0.00001 -0.00009 -0.00000 0.00016 -0.00002 -0.00009 -0.00000 0.00010 0.00010 -0.00006 -0.00007 -0.00007 0.00002 -0.00003 -0.00001 0.00003 0.00009 0.00001 0.00005 -0.00001 0.00005 0.00006 0.00004 -0.00001 -0.00009 0.00005 0.00003 -0.00025 0.00012 -0.00005 -0.00007 0.00001 -0.00001 0.00002 -0.00003 0.00006 0.00002 -0.00002 0.00016 0.00009 -0.00001 0.00023 0.00001 0.00004 0.00007 0.00018 0.00005 -0.00025 -0.00021 -0.00003 0.00011 0.00003 -0.00007 0.00020 -0.00021 -0.00019 -0.00008 0.00006 0.00020 -0.00018 -0.00015 0.00008 0.00011 -0.00020 -0.00016 -0.00007 -0.00016 -0.00002 0.00002 -0.00008 0.00007 0.00006 -0.00003 0.00011 -0.00001 -0.00007 -0.00000 -0.00014 -0.00020 -0.00013 -0.00004 -0.00010 -0.00003 0.00012 0.00024 0.00030 0.00001 0.00012 0.00019 0.00019 0.00030 0.00037 0.00002 0.00006 -0.00015 -0.00011 -0.00002 0.00002 -0.00000 -0.00006 0.00009 0.00003 0.00001 -0.00005 0.00006 0.00007 0.00019 0.00019 -0.00004 -0.00001 -0.00019 -0.00003 0.00001 -0.00018 0.00029 0.00029 0.00002 0.00024 0.00023 -0.00003 -0.00022 -0.00017 -0.00033 -0.00023 -0.00018 -0.00034 0.00010 0.00008 -0.00000 -0.00004 -0.00005 -0.00013 -0.00008 -0.00012 0.00010 0.00007 -0.00011 -0.00007 0.00003 0.00016 0.00014 0.00003 0.00000 0.00013 0.00012 0.00008 -0.00010 -0.00011 -0.00015 0.00042 0.00040 0.00050 0.00049 -0.00029 -0.00013 -0.00040 -0.00024 -0.00032 -0.00016 -0.00003 0.00019 0.00013 -0.00017 0.00005 -0.00001 -0.00011 0.00011 0.00005 0.00004 0.00004 0.00003 -0.00001 -0.00000 -0.00001 -0.00001 0.00009 0.00007 0.00010 0.00020 0.00018 0.00020 0.00012 0.00023 -0.00005 -0.00013 -0.00002 0.00006 -0.00002 0.00009 -0.00007 -0.00004 -0.00012 -0.00009 -0.00016 -0.00013 0.00008 0.00007 -0.00011 0.00058 -0.00000 0.00000 0.00001 0.00003 -0.00003 0.00001 -0.00000 -0.00002 0.00038 -0.00002 0.00020 -0.00002 0.00045 0.00056 -0.00002 0.00053 0.00035 0.00002 0.00008 -0.00000 0.00001 0.00012 0.00027 0.00003 0.00001 0.00023 0.00006 -0.00002 0.00002 0.00011 0.00020 -0.00001 0.00001 0.00001 0.00001 0.00008 0.00019 0.00001 0.00001 0.00053 0.00003 0.00007 -0.00019 0.00023 -0.00003 0.00001 -0.00002 0.00002 -0.00002 0.00005 -0.00027 -0.00003 0.00003 0.00026 -0.00015 0.00005 0.00009 0.00032 -0.00009 -0.00012 -0.00016 -0.00017 0.00006 -0.00010 0.00003 0.00009 0.00019 0.00007 -0.00033 -0.00002 0.00017 -0.00001 -0.00009 -0.00046 -0.00002 -0.00023 0.00042 -0.00005 0.00053 -0.00016 0.00033 -0.00073 -0.00010 0.00012 -0.00020 0.00014 0.00001 0.00020 0.00004 0.00080 -0.00015 -0.00023 -0.00002 0.00022 -0.00036 -0.00017 0.00015 -0.00008 -0.00023 0.00026 0.00004 -0.00045 0.00028 0.00045 -0.00002 -0.00036 -0.00001 0.00022 0.00024 -0.00008 -0.00003 -0.00027 -0.00001 0.00017 0.00015 -0.00013 0.00049 0.00007 -0.00017 -0.00010 -0.00018 0.00024 0.00020 -0.00003 0.00026 -0.00031 -0.00011 -0.00028 -0.00018 -0.00037 0.00010 0.00009 0.00045 0.00005 -0.00012 -0.00016 -0.00020 0.00003 0.00017 0.00022 -0.00000 0.00037 0.00030 0.00019 0.00000 0.00020 0.00011 -0.00019 -0.00034 0.00038 0.00014 -0.00054 -0.00028 -0.00028 -0.00010 -0.00018 -0.00006 0.00026 0.00034 0.00029 0.00027 -0.00009 -0.00010 0.00030 0.00028 0.00007 -0.00011 0.00013 0.00029 0.00011 0.00035 0.00034 0.00016 0.00040 0.00042 0.00028 0.00008 0.00086 0.00072 0.00053 0.00029 0.00015 -0.00004 -0.00039 0.00006 0.00049 -0.00016 0.00029 0.00072 -0.00056 -0.00011 0.00032 0.00058 0.00067 0.00012 0.00021 0.00039 0.00048 -0.00040 -0.00048 0.00011 0.00003 -0.00021 -0.00029 -0.00005 0.00001 0.00001 0.00007 0.00027 0.00046 -0.00048 0.00032 0.00051 -0.00043 0.00108 0.00004 0.00023 0.00093 -0.00012 0.00008 -0.00030 -0.00015 -0.00086 -0.00005 0.00009 -0.00061 0.00017 0.00038 0.00011 -0.00006 0.00015 -0.00012 -0.00048 -0.00045 -0.00039 -0.00036 -0.00211 -0.00204 -0.00188 -0.00057 -0.00042 -0.00091 -0.00076 0.00115 0.00096 0.00085 0.00056 0.00036 0.00026 0.00005 0.00023 0.00048 0.00067 0.00002 -0.00001 -0.00094 -0.00097 -0.00017 -0.00019 -0.00026 0.00054 0.00054 -0.00053 0.00027 0.00027 -0.00077 0.00003 0.00003 -0.00006 -0.00000 0.00008 -0.00022 -0.00016 -0.00008 -0.00051 -0.00025 -0.00034 -0.00034 -0.00007 -0.00016 0.00043 0.00020 0.00054 -0.00063 -0.00086 -0.00052 -0.00062 -0.00085 -0.00051 -0.00062 -0.00072 -0.00022 -0.00032 -0.00041 -0.00051 0.00200 0.00217 3.30228 3.25389 1.86688 1.85596 1.83113 1.85531 3.43831 1.82362 1.86502 3.45372 3.51371 1.85934 3.36735 1.85826 3.41235 3.38200 1.85550 3.31821 3.39526 1.84777 3.46393 1.85825 1.82383 3.41787 3.36528 1.85490 1.85466 3.28925 3.40792 1.86705 1.82370 3.38530 3.42989 1.85482 1.82372 1.85069 1.85071 3.26796 3.45698 1.86648 1.85167 3.23554 1.82370 1.87263 3.50777 3.34895 1.86488 1.82295 1.87188 1.82444 1.84812 1.84787 1.61918 1.73869 1.84245 2.14882 2.12542 1.88092 1.85717 2.13153 2.16060 1.98818 1.73209 1.55411 1.67046 1.83464 1.67383 1.81225 1.79208 1.77834 1.68538 1.84481 1.71220 1.83594 1.86110 1.91463 1.84229 1.74247 1.81341 1.85794 2.06485 1.60161 2.07060 2.10218 1.72267 1.93262 1.94543 1.83425 1.83618 1.77094 1.86096 1.77622 1.85319 2.16003 1.83087 1.77771 2.01879 1.85568 2.11937 2.10963 1.66381 1.84885 1.79949 1.53295 1.96642 2.14634 1.78305 2.13436 1.86209 2.08636 1.80667 2.00033 1.66391 1.99071 1.84995 1.68570 1.86553 1.80874 2.91813 3.18293 3.10537 2.95337 3.18491 3.03621 2.96502 3.05958 3.08000 3.10786 2.94851 3.07669 3.05456 3.02306 3.17773 2.96793 3.00533 3.01598 3.05629 2.98253 3.01630 3.00547 2.97699 3.06216 3.05705 3.15240 3.15924 3.05990 3.19099 3.22106 3.17081 3.23155 3.15000 3.24917 3.13025 3.15358 3.00419 3.22375 3.00117 2.97639 3.12971 3.32978 3.26297 -1.01375 0.86861 0.66241 2.54477 -2.91541 -1.03305 0.84190 -1.09525 3.08593 3.01169 1.07455 -1.02746 -1.32822 3.01783 0.91582 -2.50379 -0.38524 1.32853 2.05335 -2.11129 -0.39752 -0.67250 1.44605 -3.12337 0.27507 -1.29731 2.71689 -1.49546 -3.06785 0.94635 2.15778 0.58539 -1.68359 -2.04948 2.39477 1.77304 -0.06589 0.20189 -1.63704 -1.76409 2.60230 0.54740 -1.36940 2.26644 0.34964 -0.34132 -2.20341 1.34829 -0.51381 -0.19707 1.71849 -2.16185 1.49772 -2.86990 -0.46706 -1.41872 2.37682 0.68638 3.01509 0.52744 -1.16300 0.48724 -1.28742 2.71537 2.32491 0.55024 -1.73015 -2.41130 -0.45490 1.64749 -0.71550 1.24090 -2.93990 0.34354 -1.49842 2.07222 0.23026 2.81621 0.77498 -1.21613 1.44706 -0.37614 -2.86486 1.59512 -0.68111 -2.48023 1.80892 1.34355 -0.45557 -2.44960 -1.15124 0.89959 0.71946 2.77029 -1.64301 2.53960 2.33021 0.22964 0.03275 -2.06783 -0.45159 1.36767 -2.97417 1.44101 -3.02291 -1.08157 -2.51670 -0.69743 1.24392 -2.51504 -0.34409 1.46482 1.87037 -2.24186 -0.43295 -2.59219 -0.71652 1.19796 -0.75001 1.12566 3.04014 2.85198 0.75042 -1.27732 0.92861 -1.17295 3.08250 -1.02988 -3.13144 1.12400 -2.40049 2.16355 1.94332 0.22416 0.08196 -1.63719 -0.92500 0.98092 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000006 0.001342 0.000373 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.173351e-07 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 R51 R52 1 1 1 1 2 3 3 4 4 4 4 6 6 6 7 9 10 10 11 12 13 14 14 14 15 17 17 17 18 20 20 20 20 23 23 26 26 26 28 29 29 29 32 32 32 32 35 35 38 38 41 41 30 36 43 45 10 12 41 5 8 27 42 7 8 9 12 29 11 21 35 13 35 15 16 19 38 18 19 43 23 21 22 24 31 24 25 27 28 34 38 30 31 39 33 34 44 45 36 37 39 40 42 44 1.7475 1.7216 0.9879 0.9821 0.969 0.9818 1.8195 0.965 0.9869 1.8276 1.8592 0.9839 1.7818 0.9834 1.8055 1.7894 0.9819 1.7556 1.7965 0.9778 1.833 0.9833 0.9651 1.8086 1.7807 0.9816 0.9814 1.7405 1.8034 0.988 0.9651 1.7914 1.8149 0.9815 0.9651 0.9793 0.9793 1.7293 1.8293 0.9877 0.9799 1.7119 0.965 0.9909 1.8563 1.7721 0.9869 0.9647 0.9906 0.9654 0.978 0.9778 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 30 30 30 36 36 43 5 5 5 8 8 27 7 7 8 2 2 11 3 3 7 15 15 16 18 18 19 21 21 21 22 22 24 18 18 24 27 27 28 9 9 9 30 30 31 33 33 33 34 34 44 11 11 11 13 13 36 15 15 15 28 28 39 3 3 42 4 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 10 10 10 12 12 12 14 14 14 17 17 17 20 20 20 20 20 20 23 23 23 26 26 26 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 42 36 43 45 43 45 45 8 27 42 27 42 42 8 9 9 11 21 21 7 13 13 16 19 19 19 43 43 22 24 31 24 31 31 24 25 25 28 34 34 30 31 39 31 39 39 34 44 45 44 45 45 13 36 37 36 37 37 28 39 40 39 40 40 42 44 44 41 92.7874 99.6212 105.5628 123.1037 121.7858 107.766 106.4032 122.1094 123.798 113.9213 99.251 89.0533 95.7071 105.1225 95.9018 103.829 102.6677 101.8873 96.5838 105.7012 98.0924 105.1925 106.6385 109.7262 105.5563 99.8492 103.8767 106.4548 118.2766 91.7748 118.6178 120.4878 98.7074 110.724 111.4764 105.0867 105.2049 101.4557 106.6227 101.7244 106.1886 123.7733 104.9026 101.8426 115.6886 106.3319 121.4224 120.8769 95.3422 105.9169 103.1006 87.857 112.6514 122.9505 102.1628 122.3105 106.6902 119.5273 103.5007 114.6154 95.3366 114.0747 105.9947 96.5738 106.8785 103.6405 167.1685 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 A100 A101 A102 A103 A104 A105 A106 A107 A108 12 6 4 6 10 12 14 17 14 10 20 4 26 1 20 26 1 29 1 32 1 12 6 4 6 10 12 14 17 14 10 20 4 26 1 20 26 1 29 1 32 3 7 8 9 11 13 15 18 19 21 24 27 28 30 31 34 36 39 43 44 45 3 7 8 9 11 13 15 18 19 21 24 27 28 30 31 34 36 39 43 44 41 12 6 29 35 35 38 23 17 20 23 26 38 29 29 32 35 38 17 41 32 41 12 6 29 35 35 38 23 17 20 23 26 38 29 29 32 35 38 17 41 1 1 1 2 4 2 1 2 3 1 1 1 1 2 2 2 3 4 20 2 3 1 1 1 2 4 2 1 2 3 1 1 1 1 2 2 2 3 4 20 2 -1 -1 -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 -2 182.3645 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 177.9344 169.2218 182.4924 173.9479 169.8714 175.3024 176.4558 178.085 168.9433 176.2976 175.0241 173.2297 182.0644 170.0443 172.1671 172.8002 175.1195 170.8954 172.8323 172.1992 170.5592 175.4363 175.1561 180.5979 180.9939 175.3087 182.8302 184.5418 181.6673 185.1655 180.5011 186.1418 179.3423 180.7178 172.1432 184.7239 171.9601 170.5449 179.323 190.7678 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 30 30 36 36 45 45 36 36 36 43 43 43 45 45 45 30 30 30 36 36 36 43 43 43 30 30 30 43 43 43 45 45 45 5 5 27 27 42 42 5 5 8 8 42 42 8 8 9 9 7 7 7 8 8 8 2 2 2 11 11 11 2 2 2 21 21 21 3 3 3 7 7 7 7 7 13 13 5 8 27 15 15 16 16 16 16 16 19 19 19 19 19 43 43 21 21 22 22 31 31 21 21 21 22 22 22 24 24 24 27 27 27 28 28 28 27 27 27 34 34 34 9 9 9 30 30 30 31 31 31 33 33 34 34 45 45 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 4 4 4 14 14 14 14 14 14 14 14 14 14 17 17 17 17 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 26 26 26 26 26 26 26 26 26 26 26 26 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 41 17 17 17 17 17 17 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 32 32 32 35 35 35 35 35 35 35 35 35 6 6 6 6 6 6 26 26 26 26 26 26 12 12 12 12 29 29 29 29 29 29 20 20 20 20 20 20 35 35 35 35 35 35 35 35 35 35 35 35 41 41 41 41 42 42 42 17 17 17 17 38 38 38 38 38 38 23 23 23 23 23 23 23 23 23 23 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 41 41 41 41 41 41 42 18 19 18 19 18 19 9 31 39 9 31 39 9 31 39 33 34 44 33 34 44 33 34 44 11 13 37 11 13 37 11 13 37 7 9 7 9 7 9 28 34 28 34 28 34 3 13 3 13 30 31 39 30 31 39 22 24 31 22 24 31 13 36 37 13 36 37 11 36 37 11 36 37 42 44 42 44 41 41 41 18 43 18 43 28 39 40 28 39 40 24 25 24 25 18 25 18 25 18 25 9 30 39 9 30 39 9 30 39 33 44 45 33 44 45 15 39 40 15 39 40 15 28 40 15 28 40 15 28 40 3 42 3 42 3 42 4 -58.1 49.7522 37.9581 145.8102 -167.0579 -59.2057 48.2334 -62.7465 176.8037 172.5404 61.5605 -58.8894 -76.1207 172.8995 52.4496 -143.4803 -22.0887 76.1144 117.599 -121.0094 -22.8063 -38.5479 82.8437 -178.9532 15.7828 -74.3342 155.6379 -85.6745 -175.7914 54.1806 123.6637 33.5467 -96.4812 -117.46 137.1717 101.5811 -3.7872 11.545 -93.8233 -101.0517 149.1283 31.3572 -78.4628 129.8691 20.0491 -19.5532 -126.2471 77.2505 -29.4434 -11.3068 98.4356 -123.8376 85.795 -164.4626 -26.7358 -81.3487 136.1797 39.3134 172.6987 30.2271 -66.6392 27.9339 -73.7552 155.6285 133.2102 31.5211 -99.0952 -138.1669 -26.086 94.3878 -40.9914 71.0896 -168.4367 19.7106 -85.8276 118.7519 13.2137 161.4776 44.5199 -69.5712 82.9435 -21.5269 -164.0926 91.437 -39.0906 -142.1616 103.5948 76.9479 -26.123 -140.3667 -65.9643 51.5294 41.1942 158.6879 -94.1382 145.5094 133.5653 13.2129 1.8859 -118.4666 -25.8596 78.331 -170.4385 82.5942 -173.2152 -61.9847 -144.152 -39.9614 71.2691 -144.0977 -19.7147 83.923 107.1771 -128.4398 -24.8021 -148.4921 -41.0395 68.6574 -42.953 64.4996 174.1965 163.3818 42.9842 -73.216 53.2417 -67.1559 176.6438 -58.9725 -179.37 64.4297 -137.5023 124.0033 111.3565 12.8621 4.7198 -93.7746 -53.113 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0483123188 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:-.5737,-.5251,1.2811;-.539,3.4778,-.27;2.6714,1.6421,1.7332;3.6272,.1514,-1.1398;4.3464,.3966,-1.7297;1.7648,2.0972,-1.085;1.8605,2.2945,-.1271;2.9679,.8871,-1.1914;.9727,1.5248,-1.1471;-1.3509,3.4588,.2481;-1.1078,2.9391,1.0438;2.1584,2.4678,1.6194;1.2698,2.2684,1.9675;-2.2984,-3.3582,-1.3562;-1.4959,-2.9308,-1.7226;-1.9965,-4.2214,-1.0584;-2.7963,-1.9236,.9455;-3.4264,-1.2309,.6541;-2.6216,-2.4513,.1371;-2.7365,1.7052,-1.2299;-2.3082,2.4056,-.6763;-3.0401,2.1494,-2.0281;-4.522,.0376,.0372;-3.9153,.6649,-.4065;-4.9572,-.4238,-.6859;2.4141,-2.3471,-1.0141;2.855,-1.4898,-1.1724;1.5751,-2.2979,-1.5123;-.3514,.3242,-1.2521;-.3998,.025,-.3093;-1.2076,.7763,-1.4013;1.723,-1.9149,1.5247;1.769,-2.7383,2.0207;1.9678,-2.144,.5897;-.4783,1.903,2.3253;-.5639,.9658,2.0217;-.8208,1.9326,3.2239;-.0523,-2.0994,-2.2889;-.2013,-1.1655,-1.9922;-.0006,-2.0612,-3.2496;3.6841,.1303,1.698;3.8437,.156,.7379;-1.3883,-1.0908,1.208;3.0289,-.5837,1.7915;.1997,-1.1135,1.4314; 0.000000 4.293018 0.000000 3.928326 4.205861 0.000000 4.895518 5.401808 3.374910 0.000000 5.841304 5.957495 4.043266 0.961854 0.000000 4.235934 2.806808 2.995179 2.694010 3.157841 0.000000 3.982220 2.679227 2.131602 2.956366 3.514265 0.982717 0.000000 4.544261 4.456421 3.034943 0.989230 1.558972 1.709716 2.083275 0.000000 3.534062 2.620928 3.345965 2.988739 3.604641 0.979230 1.555998 2.095096 0.000000 4.188346 0.963284 4.656685 6.135732 6.763698 3.652255 3.436466 5.228598 3.329647 0.000000 3.513118 1.529598 4.054625 5.912711 6.626038 3.673226 3.255326 5.081181 3.336043 0.980946 0.000000 4.066482 3.444696 0.978721 3.890561 4.504786 2.757886 1.780127 3.324791 3.154171 3.895861 3.349887 0.000000 3.416554 3.120972 1.552968 4.437851 5.161171 3.097071 2.176377 3.843157 3.215881 3.352769 2.637407 0.975009 0.000000 4.237566 7.141881 7.697217 6.890392 7.641403 6.807691 7.124643 6.766416 5.881129 7.067047 6.843501 7.915838 7.445643 0.000000 3.957306 6.640481 7.086637 6.007136 6.723329 6.026538 6.412077 5.897810 5.126141 6.688176 6.500702 7.325843 6.949605 0.980307 0.000000 4.600083 7.875505 7.997729 7.124212 7.874535 7.353408 7.628951 7.124616 6.468595 7.817230 7.515423 8.317452 7.870330 0.961725 1.535375 0.000000 2.647351 5.978928 6.574992 7.065087 7.972248 6.410381 6.374019 6.759602 5.520484 5.616535 5.148422 6.654912 5.928744 2.757502 3.134357 3.152008 0.000000 3.004863 5.600224 6.826548 7.408235 8.291321 6.406935 6.402299 6.984170 5.494561 5.144472 4.787110 6.767747 6.001986 3.136700 3.502140 3.730960 0.980685 0.000000 3.035277 6.297358 6.878895 6.888537 7.755458 6.436020 6.533076 6.644712 5.511562 6.046142 5.671824 7.017349 6.384992 1.776788 2.226131 2.225601 0.981042 1.550558 0.000000 3.994606 2.982021 6.166782 6.551295 7.220047 4.520670 4.763996 5.762935 3.714544 2.679454 3.056903 5.714904 5.156580 5.083877 4.824351 5.975055 4.231295 3.556102 4.376995 0.000000 3.927932 2.108257 5.584355 6.365992 7.030585 4.105093 4.206181 5.514438 3.429613 1.697110 2.164292 5.022423 4.450850 5.803765 5.498343 6.645298 4.648663 4.030402 4.934459 0.990185 0.000000 4.918026 3.333346 6.857560 7.016712 7.597434 4.896872 5.258393 6.195970 4.155611 3.122388 3.714038 6.358487 5.878253 5.597765 5.318479 6.528095 5.048864 4.332417 5.101912 0.962653 1.558480 0.000000 4.177711 5.271937 7.562819 8.234581 9.049774 6.710081 6.771753 7.637423 5.814332 4.669563 4.592222 7.282686 6.499776 4.291551 4.589749 5.071243 2.765774 1.786098 3.133083 2.752141 3.319209 3.304721 0.000000 3.928173 4.396599 6.994138 7.595487 8.371256 5.897075 6.007767 6.931416 5.018057 3.848410 3.893202 6.651673 5.923824 4.438691 4.529373 5.289892 3.127385 2.226672 3.417607 1.774742 2.384403 2.366301 0.979003 0.000000 4.805748 5.908987 8.265391 8.615684 9.397835 7.190313 7.360900 8.048753 6.258938 5.380767 5.396209 8.019277 7.284518 4.016126 4.397818 4.829728 3.095278 2.188761 3.200538 3.124126 3.875931 3.478248 0.961895 1.532672 0.000000 4.185031 6.573019 4.850537 2.780303 3.431274 4.492041 4.757952 3.286085 4.133621 7.033996 6.677031 5.494014 5.612666 4.831902 4.016288 4.792537 5.582755 6.175723 5.166624 6.557173 6.708404 7.141087 7.409563 7.035843 7.625190 0.000000 4.325033 6.083608 4.276027 1.814019 2.468378 3.749939 4.049969 2.379581 3.553980 6.647959 6.342691 4.892986 5.147324 5.484784 4.616227 5.568863 6.050654 6.546629 5.712455 6.440165 6.486792 6.980517 7.629942 7.146068 7.899619 0.977028 0.000000 3.945002 6.274641 5.220974 3.216962 3.871330 4.419823 4.805222 3.490980 3.886976 6.693238 6.415379 5.732316 5.749138 4.019049 3.142542 4.081951 5.028865 5.553909 4.511757 5.890142 6.156400 6.429907 6.710416 6.336031 6.845883 0.977055 1.551396 0.000000 2.681040 3.308358 4.448171 3.983920 4.722474 2.765791 3.168624 3.367239 1.790434 3.616029 3.561073 4.374906 4.095582 4.166763 3.482269 4.838009 3.982422 3.937970 3.845397 2.756189 2.914305 3.341080 4.374790 3.678725 4.700452 3.852315 3.684751 3.264030 0.000000 1.691836 3.455793 4.027255 4.113668 4.967990 3.095276 3.208163 3.586427 2.198827 3.606390 3.289969 4.028809 3.606051 4.018382 3.454839 4.598162 3.333925 3.415541 3.356781 3.021708 3.073089 3.799812 4.136813 3.574642 4.595005 3.747214 3.692263 3.277647 0.990325 0.000000 3.048050 3.004142 5.061726 4.882043 5.576587 3.268005 3.652605 4.182270 2.319177 3.152258 3.265863 4.828620 4.439813 4.276240 3.732172 5.071196 3.914172 3.629927 3.844913 1.797151 2.095601 2.374096 3.687846 2.886831 4.001487 4.798173 4.657469 4.148018 0.979693 1.552221 0.000000 2.695438 6.117039 3.687176 3.872348 4.776558 4.786282 4.523931 4.096051 4.419545 6.320945 5.639627 4.405298 4.230976 5.153087 4.683768 5.082028 4.556203 5.266993 4.592167 6.370165 6.305610 7.199103 6.710018 6.494205 7.192714 2.666382 2.955697 3.064584 4.126342 3.410657 4.938788 0.000000 3.306593 7.015260 4.481593 4.668192 5.525863 5.746908 5.472670 4.989789 5.370556 7.160971 6.439169 5.236028 5.031762 5.322842 4.970855 5.085332 4.760457 5.579612 4.786225 7.114110 7.096260 7.963047 7.156620 7.055841 7.610898 3.127155 3.596389 3.565672 4.958460 4.215283 5.737830 0.962386 0.000000 3.091608 6.215157 4.017163 3.318735 4.182318 4.564389 4.497325 3.655161 4.179333 6.520883 5.958485 4.729249 4.674921 4.843705 4.238243 4.769440 4.782401 5.471258 4.621840 6.344888 6.370700 7.096849 6.868926 6.594952 7.248615 1.677064 2.078503 2.143915 3.855240 3.334414 4.751358 0.993259 1.562190 0.000000 2.644794 3.036307 3.215522 5.650744 6.479941 4.086518 3.411371 5.027503 3.782401 2.737989 1.764100 2.787452 1.821386 6.674331 6.386438 7.159801 4.681836 4.615768 5.323667 4.216375 3.551132 5.057262 5.006649 4.561608 5.877272 6.130341 5.903846 6.049039 3.912404 3.236374 3.960891 4.479147 5.165708 5.037272 0.000000 1.664775 3.400364 3.317823 5.312673 6.205462 4.044096 3.501481 4.775371 3.565880 3.159090 2.268462 3.135119 2.249881 5.754712 5.483849 6.200595 3.806666 3.858750 4.411647 3.979929 3.520614 4.892222 4.524014 4.149543 5.344544 5.390774 5.284045 5.264646 3.342937 2.519107 3.488169 3.711517 4.377552 4.258105 0.988795 0.000000 3.142561 3.830625 3.808186 6.480722 7.320964 5.027806 4.306854 5.911176 4.742237 3.386009 2.418261 3.425895 2.462089 7.152169 6.969665 7.588967 4.895299 4.837426 5.655924 4.853583 4.200825 5.705751 5.238778 4.935807 6.160303 6.836745 6.674658 6.787388 4.779336 4.037265 4.783147 4.915427 5.474676 5.597698 0.962061 1.563893 0.000000 3.936334 5.951244 6.131401 4.463762 5.088294 4.728842 5.257190 4.386944 3.935530 6.246225 6.132394 6.404740 6.240289 2.738523 1.759487 3.130005 4.245120 4.560596 3.551077 4.774996 5.289969 5.200599 5.473112 5.109515 5.425392 2.787432 3.173445 1.814081 2.652854 2.924426 3.223629 4.210527 4.722103 3.516960 6.122959 5.313975 6.872945 0.000000 3.356078 4.963930 5.478485 4.137452 4.815640 3.915842 4.438634 3.859887 3.054531 5.265436 5.185238 5.640299 5.443770 3.100031 2.205624 3.665105 3.992291 4.172273 3.470548 3.905028 4.350114 4.364458 4.922825 4.433825 4.987510 3.032048 3.180927 2.160560 1.670150 2.070961 2.265501 4.078297 4.739133 3.511218 5.304082 4.559150 6.098317 0.991068 0.000000 4.818196 6.312535 6.758829 4.744211 5.219833 5.009367 5.673226 4.662689 4.269247 6.672859 6.682912 6.991405 6.897554 3.247629 2.307326 3.667611 5.043132 5.259614 4.300147 5.074412 5.647901 5.334695 5.970815 5.553351 5.815616 3.303040 3.577122 2.357303 3.130913 3.627213 3.595034 5.077923 5.600565 4.315266 6.857261 6.104659 7.650388 0.962866 1.556750 0.000000 4.328087 5.737088 1.820047 2.838487 3.501193 3.911227 3.367585 3.071508 4.170280 6.207493 5.592887 2.792524 3.236262 7.568957 6.921228 7.668444 6.839629 7.314504 6.990204 7.230324 6.835398 7.948358 8.373046 7.903572 8.981307 3.886630 3.398669 4.544241 5.002626 4.551773 5.826835 2.838820 3.464128 3.057235 4.567520 4.341536 5.086402 5.901485 5.513026 6.546628 0.000000 4.502486 5.590972 2.138576 1.890177 2.529700 3.378329 3.042170 2.241332 3.697238 6.175168 5.688329 2.993639 3.549556 7.379775 6.640310 7.516439 6.961136 7.401672 6.997066 7.040713 6.701274 7.681905 8.395868 7.859475 8.934241 3.373250 2.708338 4.028842 4.646216 4.372749 5.520573 3.066766 3.785045 2.971735 4.924642 4.661693 5.576247 5.424670 5.055905 5.966120 0.973618 0.000000 0.994421 4.876205 4.921924 5.675428 6.612716 5.036146 4.878194 5.352143 4.238174 4.649853 4.042921 5.040999 4.350368 3.541931 3.462093 3.912526 1.656831 2.116698 2.125801 3.946961 4.076923 4.868255 3.530513 3.474926 4.095083 4.579753 4.881676 4.199850 3.021540 2.127093 3.213586 3.234048 3.652842 3.571371 3.322460 2.360350 3.677819 3.876887 3.414074 4.768399 5.240251 5.398987 0.000000 3.638994 5.785766 2.255078 3.080711 3.885218 4.130234 3.651010 3.326267 4.160361 6.156776 5.484625 3.177891 3.355554 6.781312 6.191205 6.827121 6.036841 6.586552 6.176765 6.899777 6.596204 7.674067 7.776846 7.389970 8.363087 3.370265 3.104099 3.995852 4.638284 4.066850 5.476382 1.883793 2.506379 2.237147 4.332319 3.919454 4.817030 5.332922 5.008859 6.064052 0.973567 1.523503 4.484256 0.000000 0.983362 4.951818 3.713986 4.467548 5.428374 4.369239 4.098956 4.306308 3.769212 4.970957 4.275901 4.086277 3.587403 4.364705 4.015677 4.547756 3.141416 3.710345 3.380052 4.863021 4.807918 5.754253 5.056067 4.845026 5.617241 3.522174 3.737880 3.458306 3.093890 2.164679 3.684583 1.723690 2.334493 2.212799 3.218376 2.292433 3.678752 3.856939 3.447421 4.780169 3.709330 3.920617 1.603787 2.900752 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:-.4825,.0004,1.4179;.0065,3.2867,-1.3007;3.1075,1.5161,.9215;3.4103,-.9064,-1.4087;4.0746,-.9917,-2.0991;1.92,1.2999,-1.8197;2.1742,1.745,-.9812;2.881,-.1021,-1.636;1.043,.9034,-1.6394;-.7206,3.5811,-.7416;-.4627,3.2786,.1552;2.7277,2.3573,.596;1.8729,2.4486,1.0561;-2.9895,-3.0775,-.0649;-2.1836,-2.9437,-.6067;-2.7976,-3.8583,.4629;-2.9306,-.9651,1.7066;-3.4706,-.2768,1.2633;-2.9554,-1.7292,1.0919;-2.5625,1.7842,-1.4887;-1.954,2.516,-1.2155;-2.8924,2.0273,-2.3598;-4.4136,.9477,.3681;-3.7763,1.2849,-.2942;-5.012,.3914,-.1396;1.8282,-2.9668,-.4181;2.3797,-2.2982,-.869;.9499,-2.8995,-.8408;-.4636,.0121,-1.263;-.4343,.0168,-.2731;-1.2453,.5616,-1.4793;1.564,-1.6848,1.9049;1.5391,-2.3198,2.6277;1.6402,-2.2205,1.072;.1523,2.5579,1.6433;-.1271,1.6095,1.6543;-.0573,2.9157,2.5114;-.7113,-2.6173,-1.513;-.6626,-1.6274,-1.5114;-.7829,-2.872,-2.4388;3.842,-.1098,1.2813;3.8738,-.3974,.3516;-1.3818,-.3886,1.5876;3.0961,-.6206,1.6426;.1959,-.6599,1.6841; 0.3241588 0.2458598 0.1890487 -19.12868 -19.12776 -19.12635 -19.12589 -19.12526 -19.12453 -19.12269 -19.12228 -19.11686 -19.11440 -19.11408 -19.11331 -19.10992 -19.10986 -19.10976 -1.03261 -1.02662 -1.02347 -1.01991 -1.01840 -1.01603 -1.01362 -1.00886 -1.00729 -1.00333 -1.00044 -0.99652 -0.99345 -0.98688 -0.98461 -0.54534 -0.54394 -0.54079 -0.53837 -0.53689 -0.53416 -0.53227 -0.53096 -0.53035 -0.52718 -0.52607 -0.52396 -0.52250 -0.52025 -0.51835 -0.43930 -0.43776 -0.43427 -0.42675 -0.42135 -0.41576 -0.40662 -0.40120 -0.39449 -0.39214 -0.39097 -0.38660 -0.38113 -0.37684 -0.36495 -0.33242 -0.32844 -0.32693 -0.32571 -0.32463 -0.32304 -0.32237 -0.32117 -0.31958 -0.31832 -0.31697 -0.31612 -0.31519 -0.31167 -0.31038 -0.00127 0.02685 0.02894 0.04260 0.05399 0.06149 0.06912 0.07698 0.08420 0.08641 0.10250 0.10552 0.10991 0.11249 0.11552 0.12087 0.12300 0.12862 0.13214 0.14031 0.14213 0.15005 0.15322 0.15540 0.16148 0.16476 0.16726 0.16814 0.17536 0.17940 0.18692 0.18877 0.19660 0.19984 0.20233 0.20537 0.21225 0.21532 0.21930 0.22101 0.22584 0.23005 0.23503 0.23999 0.24307 0.24766 0.25130 0.25289 0.25566 0.25982 0.26399 0.26837 0.27088 0.27446 0.27655 0.27899 0.28193 0.28403 0.28888 0.29150 0.29464 0.29954 0.30159 0.30288 0.30724 0.31100 0.31217 0.31382 0.31691 0.32501 0.33442 0.34394 0.34525 0.36007 0.37639 0.38224 0.40051 0.40905 0.43256 0.45067 0.46221 0.46345 0.47059 0.47510 0.47943 0.49003 0.50318 0.50846 0.50934 0.51963 0.52926 0.53790 0.54090 0.55170 0.56167 0.56179 0.56501 0.56943 0.57793 0.58342 0.58634 0.59641 0.60406 0.61120 0.62095 0.62260 0.62774 0.63476 0.64570 0.65673 0.65939 0.66337 0.67601 0.68066 0.68945 0.70532 0.70898 0.71284 0.71711 0.75686 0.94130 0.95298 0.96071 0.96380 0.97253 0.97595 0.98224 0.98562 0.99048 1.00244 1.00388 1.00596 1.01455 1.01832 1.02722 1.03638 1.04167 1.04998 1.05073 1.05600 1.06416 1.07286 1.07782 1.08234 1.08917 1.09047 1.09691 1.10155 1.10515 1.11447 1.11865 1.11997 1.12527 1.13080 1.13819 1.14093 1.14384 1.14492 1.15709 1.16370 1.18028 1.18987 1.19570 1.20708 1.21751 1.23370 1.23489 1.25629 1.26107 1.26726 1.27636 1.29193 1.29417 1.31353 1.31881 1.32242 1.32368 1.32994 1.33302 1.33885 1.34415 1.35704 1.36172 1.36629 1.37430 1.38652 1.38914 1.40310 1.40680 1.41616 1.42052 1.42667 1.44254 1.45140 1.45459 1.46554 1.47465 1.47939 1.48457 1.49529 1.50510 1.50938 1.52661 1.53146 1.54266 1.54630 1.55638 1.56480 1.57956 1.59013 1.60377 1.60571 1.61932 1.61987 1.63413 1.64400 1.64476 1.64858 1.65768 1.67537 1.67863 1.69016 1.69878 1.69941 1.73113 1.73911 1.74283 1.74745 1.75122 1.75726 1.77117 1.77541 1.78786 1.80908 1.81549 1.82365 1.82845 1.84894 1.86898 1.90025 2.02155 2.03051 2.03882 2.04444 2.05170 2.05597 2.05993 2.07515 2.23847 2.26455 2.27004 2.27769 2.29777 2.30648 2.31263 2.32650 2.33410 2.35197 2.35685 2.37016 2.38115 2.39250 2.42088 2.43541 2.44717 2.45847 2.49525 2.50135 2.51326 2.55624 2.56480 2.58750 2.59249 2.60387 2.61226 2.62489 2.64950 2.67920 2.69894 2.71045 2.71982 2.72182 2.72760 2.73993 2.74677 2.75945 2.77629 2.78638 2.79114 2.79768 2.80295 2.82000 2.83120 2.84660 2.85829 2.87339 2.88728 2.90385 2.91626 2.97233 3.07258 3.07555 3.08452 3.08871 3.09087 3.09470 3.09910 3.10240 3.10632 3.11158 3.11440 3.12224 3.12424 3.12774 3.12866 3.14107 3.14935 3.15388 3.15410 3.15874 3.16322 3.17287 3.17646 3.18407 3.18739 3.19334 3.20163 3.20597 3.21254 3.22232 3.29251 3.29635 3.30199 3.31050 3.31586 3.32598 3.32711 3.33723 3.34237 3.35263 3.35835 3.36722 3.37068 3.37575 3.39386 3.67633 3.68878 3.69827 3.70759 3.71079 3.71341 3.73470 3.73743 3.74796 3.75693 3.76424 3.77032 3.78831 3.80114 3.81685 3.90716 3.91395 3.92151 3.92926 3.93169 3.93725 3.93889 3.94473 3.95212 3.96258 3.96369 3.96729 3.97945 3.99546 4.01116 5.00755 5.00944 5.01684 5.02814 5.03019 5.03500 5.04041 5.04484 5.06135 5.07212 5.07975 5.09266 5.11173 5.12663 5.20675 5.37257 5.39228 5.41101 5.42670 5.43489 5.44241 5.44954 5.45935 5.46814 5.47874 5.48445 5.49052 5.52611 5.54163 5.54935 5.66419 5.66824 5.67570 5.67935 5.67992 5.69012 5.69130 5.69837 5.72761 5.74972 5.76008 5.76207 5.76856 5.77812 5.78644 49.88941 49.89824 49.89992 49.91051 49.91928 49.92056 49.92586 49.92932 49.94066 49.95107 49.95963 49.96189 49.98618 49.99088 50.00767 1-A. -4.7315 -4.6290 -4.6202 8.0722 -130.0130 -111.3096 -85.8069 -8.6463 8.9471 1.4843 -20.9699 -2.2664 23.2363 -8.6463 8.9471 1.4843 -57.0169 -85.7688 -20.8663 -47.8165 -37.3100 -131.1162 -3.8735 -12.2139 27.5000 14.0968 -3995.8863 -2792.3600 -983.6850 -150.9172 -70.4697 116.7233 -6.4746 120.2684 77.0385 -1272.9489 -811.6663 -421.1417 -69.2650 19.7706 -119.6997 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:-.5818,-.6271,1.3902;-.2418,3.4024,-.4068;2.5774,1.618,1.7829;3.5842,.2689,-1.167;4.3153,.5106,-1.7487;1.6045,2.1808,-1.0332;1.7484,2.3289,-.0711;2.9244,1.0001,-1.23;.8736,1.5251,-1.0853;-1.0723,3.5273,.0766;-.9518,2.9941,.8922;2.0812,2.4609,1.6985;1.1787,2.2704,2.0229;-2.1764,-3.5285,-1.3329;-1.3991,-3.0763,-1.7307;-1.8533,-4.3972,-1.064;-2.8526,-2.0549,.937;-3.4052,-1.3032,.6319;-2.6405,-2.5704,.1293;-2.7,1.8317,-1.3108;-2.2015,2.5409,-.8368;-3.0348,2.2296,-2.1238;-4.3392,.1743,.1883;-3.7925,.7801,-.3571;-5.1012,-.0417,-.3632;2.4419,-2.2863,-1.0558;2.8429,-1.4016,-1.1812;1.6083,-2.2655,-1.5695;-.4017,.2739,-1.1856;-.4584,-.0305,-.2477;-1.2416,.7521,-1.3466;1.7652,-2.0385,1.5589;1.8705,-2.8709,2.0357;1.9957,-2.2276,.6139;-.6005,1.9171,2.2865;-.6595,.9603,2.052;-1.0242,2.018,3.1472;-.0348,-2.1207,-2.3603;-.2182,-1.2068,-2.0249;-.0038,-2.0496,-3.3226;3.5867,.11,1.6497;3.7287,.1554,.6831;-1.3729,-1.2109,1.2941;2.9795,-.6486,1.7582;.2023,-1.204,1.5203; 0.000000 4.425115 0.000000 3.895494 3.990836 0.000000 4.969676 5.003558 3.396456 0.000000 5.926915 5.561515 4.088907 0.965015 0.000000 4.305505 2.300811 3.032105 2.755466 3.263381 0.000000 4.037727 2.286065 2.151785 2.968965 3.564995 0.983930 0.000000 4.669751 4.058792 3.095200 0.986928 1.563070 1.781820 2.119361 0.000000 3.588658 2.286697 3.337429 2.988672 3.648869 0.983359 1.562036 2.121841 0.000000 4.384750 0.968986 4.458443 5.817870 6.438837 3.195357 3.068334 4.905915 3.024203 0.000000 3.673989 1.535543 3.891249 5.678209 6.394020 3.301970 2.943008 4.848119 3.066023 0.981897 0.000000 4.089329 3.273372 0.981772 3.908350 4.547317 2.787059 1.805499 3.379554 3.175512 3.703070 3.183278 0.000000 3.448933 3.033553 1.561893 4.468552 5.211518 3.086882 2.170926 3.904181 3.210858 3.230356 2.518140 0.977785 0.000000 4.286678 7.255108 7.667593 6.901574 7.656909 6.854264 7.162686 6.821706 5.907770 7.279406 6.999580 7.949143 7.492938 0.000000 4.050479 6.713022 7.084743 6.028347 6.746817 6.094672 6.471176 5.963156 5.172399 6.854228 6.627868 7.384593 7.022887 0.983343 0.000000 4.674808 7.991431 7.994922 7.165883 7.912449 7.431588 7.694068 7.210036 6.519989 8.044255 7.698790 8.375343 7.948541 0.965120 1.547849 0.000000 2.720389 6.197049 6.609837 7.159559 8.072979 6.456685 6.434500 6.884919 5.548914 5.922072 5.395120 6.731628 6.011522 2.789442 3.205090 3.238733 0.000000 3.000615 5.764367 6.756393 7.386418 8.280244 6.325195 6.343933 6.988206 5.408878 5.393019 4.955164 6.738441 5.976380 3.212805 3.570736 3.854574 0.981558 0.000000 3.099136 6.458751 6.892256 6.963393 7.835937 6.476568 6.580703 6.750092 5.531481 6.296425 5.864971 7.076113 6.450225 1.808600 2.292698 2.319656 0.981436 1.563130 0.000000 4.222376 3.054011 6.121096 6.477286 7.152043 4.327629 4.644619 5.686143 3.593859 2.729339 3.043127 5.684365 5.133256 5.385749 5.094805 6.291106 4.492382 3.754861 4.632120 0.000000 4.197593 2.183424 5.527432 6.224633 6.886381 3.828092 4.029017 5.366898 3.248091 1.755641 2.180959 4.977528 4.435844 6.089682 5.744187 6.950630 4.969079 4.287564 5.220371 0.988014 0.000000 5.150377 3.481997 6.865346 6.969316 7.557716 4.766060 5.205978 6.149979 4.104919 3.221339 3.744275 6.390378 5.911856 5.875154 5.566134 6.814243 5.268603 4.495721 5.317156 0.965052 1.564501 0.000000 4.025571 5.250089 7.243359 8.039094 8.874999 6.391146 6.462881 7.446721 5.533585 4.682757 4.463378 6.980783 6.181154 4.549972 4.784678 5.352302 2.782026 1.803359 3.228439 2.771548 3.349902 3.357347 0.000000 3.916938 4.414336 6.771816 7.438671 8.230771 5.616720 5.760422 6.776962 4.781023 3.890378 3.812165 6.446054 5.709507 4.703994 4.742009 5.573609 3.255026 2.338425 3.576301 1.791364 2.421168 2.407559 0.981532 0.000000 4.882806 5.956221 8.143700 8.728011 9.533806 7.096108 7.254046 8.139140 6.218837 5.400272 5.292402 7.880349 7.104608 4.653155 4.978323 5.478165 3.286213 2.336194 3.562573 3.189520 3.911813 3.539534 0.965064 1.545267 0.000000 4.228286 6.323303 4.829072 2.801054 3.436849 4.544921 4.769683 3.326103 4.121467 6.886940 6.572177 5.500193 5.642441 4.790427 3.979024 4.785916 5.661851 6.164666 5.226434 6.592584 6.701553 7.178254 7.320229 6.982738 7.900314 0.000000 4.352052 5.761400 4.239629 1.827643 2.479211 3.793318 4.043102 2.403556 3.528851 6.419163 6.166072 4.877704 5.149687 5.453404 4.593564 5.571518 6.111646 6.506576 5.757677 6.418376 6.411584 6.972911 7.479445 7.033344 8.101005 0.979335 0.000000 4.029969 6.074534 5.221043 3.238722 3.881555 4.478556 4.834565 3.537118 3.891358 6.591853 6.346425 5.765640 5.802079 3.996859 3.118929 4.096648 5.121191 5.559436 4.585950 5.951151 6.176851 6.486260 6.664518 6.317803 7.170576 0.979347 1.556056 0.000000 2.734789 3.227963 4.415141 3.985940 4.756322 2.772106 3.176138 3.404684 1.789380 3.553588 3.466895 4.389297 4.096096 4.198680 3.537687 4.892984 3.991933 3.848574 3.851139 2.779413 2.915597 3.411512 4.171576 3.527127 4.781319 3.828423 3.651642 3.261259 0.000000 1.747547 3.443354 4.007095 4.156658 5.033292 3.124524 3.235391 3.670202 2.212622 3.624925 3.269650 4.055173 3.623475 4.045350 3.515817 4.656264 3.351675 3.328184 3.369699 3.102065 3.161886 3.907085 3.910582 3.432962 4.644161 3.762113 3.694627 3.318736 0.987694 0.000000 3.134956 2.984382 5.012783 4.853263 5.576603 3.199956 3.612868 4.174943 2.267081 3.123428 3.181581 4.820111 4.417715 4.381504 3.850832 5.193293 3.961013 3.580518 3.895484 1.814915 2.093121 2.449998 3.505066 2.736289 4.061232 4.783749 4.620497 4.156652 0.979856 1.559951 0.000000 2.743823 6.123310 3.752287 4.007887 4.892945 4.954500 4.661666 4.284224 4.526112 6.420849 5.757876 4.512674 4.373308 5.110561 4.680892 5.053365 4.659486 5.304003 4.662220 6.568993 6.514981 7.403928 6.636145 6.519469 7.404569 2.712191 3.012471 3.140498 4.192170 3.498595 5.026924 0.000000 3.385960 7.055588 4.551189 4.801246 5.633194 5.916778 5.611689 5.172985 5.482604 7.309978 6.608379 5.346613 5.187625 5.306296 4.991811 5.079830 4.917391 5.679886 4.906474 7.362289 7.356645 8.208408 7.158665 7.150179 7.896999 3.197778 3.667770 3.665040 5.042705 4.324999 5.852457 0.965045 0.000000 3.131694 6.143689 4.061230 3.453596 4.296513 4.722280 4.614314 3.831490 4.269532 6.543767 6.002578 4.813120 4.783807 4.784137 4.212083 4.726225 4.862103 5.479427 4.673988 6.498635 6.516119 7.257202 6.788311 6.594876 7.489829 1.729292 2.149944 2.217776 3.904190 3.404747 4.816862 0.990915 1.565579 0.000000 2.697517 3.096499 3.231389 5.670537 6.513507 3.993981 3.353403 5.062763 3.700785 2.774768 1.796506 2.798766 1.832993 6.725827 6.458233 7.257130 4.761238 4.579719 5.380776 4.166007 3.564724 5.047167 4.627908 4.297715 5.577927 6.172126 5.907237 6.102570 3.846425 3.199227 3.868762 4.666092 5.393821 5.168770 0.000000 1.721581 3.490494 3.313902 5.371088 6.276566 4.016650 3.489755 4.859731 3.537222 3.265347 2.359433 3.144537 2.257436 5.822964 5.581157 6.311718 3.891559 3.831297 4.481873 4.028830 3.636113 4.968931 4.199000 3.956299 5.154173 5.460475 5.319623 5.353831 3.319557 2.512046 3.454342 3.887765 4.591170 4.390964 0.986868 0.000000 3.206136 3.893499 3.872038 6.550528 7.399483 4.940898 4.259324 5.982291 4.664664 3.421893 2.458295 3.455240 2.486095 7.222273 7.062973 7.718596 4.981566 4.798506 5.724824 4.766197 4.187087 5.645394 4.810741 4.634229 5.760756 6.943038 6.736705 6.893884 4.711966 4.005175 4.673739 5.172865 5.789286 5.793320 0.964656 1.565658 0.000000 4.073868 5.862017 6.161765 4.497907 5.120599 4.790764 5.312103 4.446693 3.967630 6.238179 6.130272 6.476297 6.321895 2.761153 1.780690 3.189080 4.337827 4.580532 3.631809 4.881237 5.361555 5.289668 5.503697 5.152457 5.829106 2.804111 3.191944 1.829257 2.692271 3.001939 3.276728 4.313541 4.849526 3.602782 6.181916 5.417634 6.959889 0.000000 3.483014 4.885067 5.504059 4.168023 4.855763 3.972687 4.492895 3.921502 3.088400 5.249591 5.166747 5.709968 5.516084 3.114995 2.230619 3.711534 4.053645 4.150263 3.516714 3.987764 4.403502 4.444300 4.877363 4.416456 5.287881 3.029929 3.181251 2.159734 1.711895 2.144788 2.311914 4.179596 4.860078 3.592566 5.337891 4.638114 6.148155 0.990565 0.000000 4.956674 6.187337 6.795626 4.784988 5.261768 5.071969 5.728307 4.717377 4.307394 6.618059 6.640944 7.064279 6.973902 3.296418 2.352677 3.746134 5.124482 5.269258 4.374835 5.136342 5.664131 5.379179 6.005720 5.581756 6.226788 3.343030 3.620703 2.391464 3.181786 3.706619 3.645077 5.192164 5.735793 4.418797 6.895858 6.194821 7.710080 0.965445 1.562158 0.000000 4.241158 5.452210 1.819494 2.821113 3.498576 3.926182 3.356186 3.086022 4.104110 5.988310 5.430445 2.792102 3.256579 7.439604 6.814534 7.567943 6.830820 7.205569 6.948010 7.159075 6.752470 7.910529 8.059834 7.676596 8.919317 3.791111 3.294239 4.463217 4.896230 4.470256 5.718629 2.818263 3.461266 3.011469 4.604803 4.349163 5.210008 5.845639 5.451105 6.502301 0.000000 4.437673 5.243671 2.162048 1.859173 2.526621 3.400007 3.035551 2.240646 3.626994 5.898148 5.478034 3.010128 3.573650 7.246051 6.524153 7.412026 6.947220 7.281683 6.950090 6.936484 6.570286 7.610928 8.083147 7.618517 8.893837 3.262131 2.585444 3.928249 4.535006 4.293397 5.401830 3.071775 3.800126 2.947381 4.941328 4.666687 5.668486 5.348548 4.976701 5.902527 0.977989 0.000000 0.987911 5.045308 4.883276 5.728889 6.676673 5.077955 4.912928 5.452214 4.265499 4.901455 4.245150 5.057381 4.377381 3.594094 3.553833 3.993015 1.740472 2.139429 2.193584 4.219566 4.393638 5.126527 3.455525 3.541947 4.244229 4.607747 4.892508 4.266161 3.049106 2.146386 3.293096 3.256147 3.718205 3.583818 3.371328 2.407816 3.739162 3.996650 3.514172 4.887996 5.144875 5.316685 0.000000 3.580274 5.610209 2.302135 3.124737 3.927627 4.205680 3.705055 3.413288 4.152724 6.056711 5.428992 3.237258 3.440006 6.665626 6.102237 6.735907 6.055159 6.516187 6.158761 6.915745 6.614361 7.715254 7.530270 7.237109 8.376444 3.299897 3.037324 3.945579 4.576989 4.027989 5.423928 1.856335 2.499041 2.184129 4.436021 3.989590 5.006987 5.311735 4.984832 6.056173 0.977823 1.537416 4.413026 0.000000 0.982131 5.012948 3.697742 4.563739 5.526488 4.465787 4.171825 4.453254 3.832444 5.108323 4.398936 4.122341 3.643817 4.381971 4.079053 4.593571 3.224428 3.716629 3.447258 5.065029 5.035773 5.962207 4.929477 4.839461 5.746775 3.580917 3.782764 3.556685 3.141761 2.222490 3.759049 1.772068 2.413876 2.255052 3.312539 2.389494 3.812177 3.994420 3.570040 4.920496 3.632858 3.870950 1.591434 2.842082 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:-.5203,-.108,1.5423;.3801,3.1645,-1.2969;3.0467,1.3888,1.0828;3.3733,-.8418,-1.4576;4.0561,-.924,-2.1345;1.8488,1.4405,-1.7022;2.1428,1.7861,-.8291;2.8699,-.0193,-1.6678;1.0014,.9754,-1.5219;-.339,3.5902,-.8064;-.2224,3.263,.112;2.7218,2.2742,.8099;1.8493,2.3795,1.2384;-3.0006,-3.1554,-.1716;-2.207,-3.0041,-.7323;-2.8251,-3.9801,.2979;-3.0693,-1.0511,1.6582;-3.4958,-.2937,1.2023;-3.0708,-1.7851,1.0068;-2.4379,2.0174,-1.5615;-1.7508,2.6902,-1.3345;-2.7891,2.2662,-2.4253;-4.1661,1.1994,.4449;-3.585,1.5109,-.2823;-5.0207,1.0316,.0291;1.7688,-2.9622,-.5771;2.3184,-2.2509,-.9657;.8966,-2.8814,-1.0152;-.4997,.0607,-1.1872;-.4939,.0197,-.2004;-1.2411,.6615,-1.41;1.4999,-1.9269,1.9153;1.4981,-2.6165,2.5904;1.5635,-2.3917,1.0424;.0849,2.515,1.7163;-.1935,1.569,1.7541;-.195,2.9195,2.5461;-.773,-2.5692,-1.6942;-.7255,-1.5837,-1.6059;-.8535,-2.748,-2.6395;3.7093,-.2931,1.2892;3.7309,-.5224,.3387;-1.4176,-.5026,1.6654;2.9822,-.8433,1.6426;.1432,-.7966,1.7662; 0.3097486 0.2510682 0.1907740 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= 524 523 524 524 524 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= 8.10D-05 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= 524 524 524 524 524 MxSgAt= 45 MxSgA2= 45. 1 -1.86151557e+00 -1.82120715e+00 -1.81771754e+00 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 -0.000411781 0.000077678 0.000639381 0.003204165 0.000797947 -0.002085041 0.001762304 -0.001632978 0.000692090 0.000321296 -0.002536372 0.002255199 0.002428875 0.000420649 -0.001982833 0.001080592 0.001831554 -0.001362798 0.000063688 0.000778122 0.001274822 -0.000819000 0.001459452 -0.000591094 -0.002513929 -0.001543550 -0.000650816 -0.002203284 0.001986095 0.000458359 0.000847391 -0.001466837 0.002426641 0.001159949 0.002560073 -0.000722475 -0.003087242 -0.000095568 0.001206310 -0.003107012 0.000657382 0.000508496 0.002897274 0.001665011 -0.001703431 0.000386174 -0.003849623 0.000902159 -0.001140722 -0.001512947 0.002314475 -0.001251310 0.001304054 -0.000068352 0.000053094 -0.001121343 -0.001430470 -0.000465854 -0.001601817 0.000547898 0.000161794 0.000400524 -0.000010270 -0.001356188 0.001021180 -0.002208936 -0.000523120 -0.000261900 0.003284081 0.002235888 0.002365697 -0.001477760 -0.002617871 -0.001664120 -0.002274129 0.001315296 -0.002151956 0.000304557 0.001625070 0.002595567 -0.000190912 -0.002329881 -0.000261033 -0.001689195 0.001175052 0.000907795 -0.000957854 -0.000301445 0.000138161 0.000793484 -0.000888141 0.000516504 0.000042771 0.000886119 0.001735074 0.000964866 0.000100751 -0.002297662 0.001722886 0.000151521 -0.000471328 -0.000210576 0.000825035 0.002322695 -0.000799790 -0.000393329 -0.001744774 -0.000393317 -0.000904808 0.000444548 0.002487682 0.000352229 -0.002031217 0.000627569 -0.000268054 0.001692683 0.000442291 0.000258896 -0.000410735 -0.002807104 0.001267421 0.002033723 0.002209396 0.000598799 -0.000074919 -0.003828006 0.001329492 0.000444139 0.000255357 -0.002420675 -0.003014474 0.000730758 0.000515476 -0.000411156 0.000353632 0.003849623 0.001555235 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1147.22778350386 -1147.22778556869 -0.000002064826 -1147.22778557268 -0.000000003986 -1147.22778559122 -0.000000018542 -1147.22778559216 -0.000000000942 -1147.22778559214 0.000000000020 -1147.22778559 6 1.143314363001e+03 -5.594883588119e+03 1.862759109516e+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) PT38090.200S Thu Jul 18 15:03:49 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 -0.955818 0.279019 0.396633 -0.771798 0.342631 -0.801552 0.397024 0.416819 0.394869 -0.657230 0.396983 -0.806117 0.398939 -0.739101 0.429549 0.311618 -0.816722 0.414109 0.400042 -0.803081 0.448468 0.336991 -0.719482 0.416136 0.305457 -0.757731 0.372828 0.400802 -0.878721 0.487404 0.442743 -0.775105 0.342279 0.418252 -0.771076 0.412112 0.344393 -0.778900 0.432884 0.336246 -0.716508 0.356634 0.506544 0.361880 0.448656 -0.00000 -19.13074 -19.12930 -19.12874 -19.12867 -19.12813 -19.12316 -19.12274 -19.12255 -19.11989 -19.11724 -19.11443 -19.11294 -19.11222 -19.11008 -19.11002 -1.03071 -1.02455 -1.02247 -1.01980 -1.01791 -1.01358 -1.01201 -1.00765 -1.00553 -1.00345 -0.99901 -0.99599 -0.99364 -0.98809 -0.98569 -0.54628 -0.54303 -0.54173 -0.53922 -0.53862 -0.53353 -0.53147 -0.53040 -0.52957 -0.52631 -0.52510 -0.52428 -0.52342 -0.52133 -0.51708 -0.43770 -0.43456 -0.43285 -0.42434 -0.41992 -0.41481 -0.40466 -0.40034 -0.39334 -0.39187 -0.38817 -0.38655 -0.37869 -0.37657 -0.36551 -0.33329 -0.32954 -0.32822 -0.32737 -0.32620 -0.32402 -0.32233 -0.32154 -0.32017 -0.31818 -0.31789 -0.31615 -0.31559 -0.31239 -0.31030 -0.00202 0.02648 0.02903 0.04124 0.05395 0.06043 0.06842 0.07713 0.08228 0.08668 0.10487 0.10653 0.10927 0.11015 0.11369 0.11804 0.12278 0.12838 0.13111 0.13928 0.14130 0.14928 0.15205 0.15395 0.16135 0.16329 0.16855 0.17014 0.17629 0.17985 0.18586 0.18937 0.19285 0.19825 0.19873 0.20655 0.21128 0.21171 0.21691 0.21817 0.22283 0.22803 0.23431 0.23594 0.23945 0.24452 0.24672 0.25173 0.25461 0.25888 0.26060 0.26186 0.26708 0.27125 0.27604 0.28096 0.28139 0.28335 0.28554 0.28714 0.29080 0.29418 0.29717 0.29858 0.30300 0.30540 0.30656 0.31056 0.31600 0.31949 0.32895 0.33701 0.34622 0.35150 0.36339 0.37943 0.39181 0.41476 0.42316 0.44296 0.45449 0.45534 0.46388 0.47268 0.48065 0.48957 0.50713 0.50912 0.51305 0.51670 0.52165 0.53190 0.53576 0.54279 0.55739 0.56094 0.56373 0.56841 0.57264 0.58151 0.59019 0.59779 0.60532 0.61565 0.61630 0.62458 0.62530 0.63671 0.64441 0.65201 0.65730 0.66429 0.66663 0.67745 0.68442 0.69596 0.70157 0.70819 0.72810 0.75457 0.93841 0.95325 0.96431 0.97077 0.97349 0.97893 0.98037 0.99076 0.99667 1.00173 1.00525 1.00756 1.01080 1.01958 1.02411 1.03448 1.04117 1.04664 1.05373 1.05600 1.06643 1.07086 1.07956 1.08144 1.08429 1.08895 1.09078 1.09708 1.10336 1.10754 1.11559 1.12124 1.12412 1.12887 1.13148 1.13655 1.14180 1.14723 1.14961 1.16060 1.16847 1.18495 1.19000 1.19933 1.22736 1.23848 1.24061 1.25912 1.26394 1.26524 1.28547 1.28638 1.30454 1.31103 1.31390 1.32173 1.32429 1.32728 1.33108 1.33608 1.34923 1.35612 1.36544 1.36641 1.37436 1.37867 1.39011 1.39427 1.40334 1.40873 1.41137 1.41889 1.42417 1.43453 1.44754 1.45892 1.46672 1.47076 1.47530 1.48388 1.49607 1.50559 1.51743 1.52914 1.53697 1.54585 1.55711 1.56131 1.57937 1.58868 1.59757 1.60490 1.60982 1.61892 1.62670 1.63484 1.64075 1.65170 1.65922 1.67381 1.68140 1.68766 1.69204 1.70096 1.73126 1.74005 1.74178 1.74539 1.75802 1.75883 1.76465 1.76995 1.78747 1.80613 1.80966 1.82481 1.82851 1.83793 1.86352 1.88689 2.02032 2.03392 2.03820 2.04047 2.04527 2.05115 2.05652 2.10491 2.21373 2.23812 2.24710 2.27382 2.28289 2.28839 2.29745 2.30151 2.32510 2.33915 2.34990 2.35698 2.36209 2.37692 2.39394 2.40534 2.43051 2.43831 2.45969 2.47721 2.48751 2.54802 2.55258 2.56186 2.56873 2.57266 2.57767 2.58589 2.61609 2.67788 2.69054 2.69899 2.70366 2.71824 2.71963 2.72815 2.73318 2.75198 2.76540 2.76741 2.77778 2.78108 2.79646 2.80538 2.82276 2.82672 2.84811 2.86004 2.86945 2.88619 2.90084 2.95273 3.06815 3.07492 3.08168 3.08548 3.09329 3.09443 3.09805 3.10183 3.10759 3.10995 3.11403 3.12054 3.12169 3.12746 3.12827 3.13685 3.14003 3.14396 3.14603 3.15005 3.15508 3.16584 3.17055 3.17746 3.18281 3.18793 3.19208 3.19413 3.20680 3.21742 3.28884 3.29185 3.29894 3.30585 3.31213 3.31756 3.32273 3.33296 3.34206 3.34508 3.34888 3.35688 3.36334 3.37231 3.40504 3.68552 3.69770 3.70659 3.71165 3.71312 3.72612 3.72874 3.73481 3.74052 3.74751 3.76126 3.76575 3.78250 3.79933 3.82328 3.90612 3.91201 3.91476 3.92032 3.92765 3.93300 3.93359 3.93798 3.94213 3.95228 3.95482 3.96227 3.97046 3.98633 4.00019 4.99335 5.00072 5.01940 5.02197 5.02965 5.03180 5.04255 5.04709 5.05830 5.06280 5.07097 5.09782 5.10985 5.12059 5.21550 5.35178 5.37625 5.40349 5.40946 5.41962 5.43233 5.44698 5.44919 5.46092 5.46630 5.47721 5.48438 5.52343 5.53662 5.55282 5.65411 5.65903 5.66359 5.66448 5.66986 5.67840 5.68080 5.69010 5.71893 5.73962 5.74944 5.76239 5.77264 5.77769 5.78670 49.88465 49.88987 49.89185 49.90188 49.91481 49.91729 49.92111 49.92384 49.93588 49.94430 49.94936 49.95307 49.97796 49.98041 49.99121 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 -0.928096 0.291603 0.396531 -0.757912 0.348538 -0.794307 0.391714 0.399005 0.396474 -0.672737 0.387413 -0.796114 0.388631 -0.737977 0.418181 0.314042 -0.813871 0.416042 0.404796 -0.788150 0.425921 0.338726 -0.746249 0.423387 0.320700 -0.749559 0.370409 0.390368 -0.864659 0.480661 0.447431 -0.769458 0.347380 0.408569 -0.751819 0.398461 0.347237 -0.757278 0.421510 0.333819 -0.734782 0.365379 0.475642 0.371440 0.442958 -0.00000 -2.04252063e+00 -1.65756337e+00 -2.03391984e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.1916 -4.2131 -5.1697 8.4515 -122.1649 -110.8930 -85.5918 -15.3801 7.4238 0.5426 -15.9483 -4.6764 20.6247 -15.3801 7.4238 0.5426 -90.7414 -100.7453 -32.7616 -58.2920 0.5643 -132.3338 -1.1598 -12.0866 34.2106 10.5540 -3524.3251 -2862.6182 -1013.4244 -323.2366 -106.8109 77.9447 -26.8599 108.6120 76.1919 -1210.4001 -802.1883 -451.1939 -83.0850 47.3675 -128.8812 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.2277856 5.783E-9 1.586E-5 -7.0202916,-7.5290331,14.5493247,-12.7306456,0.2121028,-5.8603859 C01 [X(H30O15)] -1.4608423 -1.4185179 -2.6286848 -0.000008768 -0.000023354 -0.000033871 -0.000010835 0.000002535 -0.000008041 -0.000002505 -0.000007437 -0.000016406 0.000020320 -0.000001407 -0.000026042 0.000001040 0.000001290 0.000013115 -0.000000816 -0.000016295 -0.000011195 0.000012787 -0.000018057 -0.000004582 -0.000004936 -0.000000139 0.000006490 0.000031338 0.000034327 -0.000009508 0.000020740 0.000008431 0.000016393 0.000007293 0.000010442 -0.000004638 -0.000017768 0.000009030 0.000009965 0.000018347 -0.000001775 0.000018872 0.000011996 0.000013601 -0.000017443 -0.000031504 -0.000024697 0.000010815 -0.000004941 0.000008263 0.000007505 0.000001444 -0.000005750 -0.000014605 0.000004968 0.000001261 -0.000001019 -0.000011987 -0.000003724 0.000002613 -0.000005174 0.000002302 0.000033921 0.000003147 -0.000008459 -0.000032235 0.000018650 -0.000003597 -0.000014803 0.000008194 0.000029553 -0.000048932 -0.000014758 -0.000008246 0.000011680 0.000004320 -0.000003833 0.000020370 -0.000007726 0.000004208 0.000024807 -0.000002452 0.000002247 0.000003999 0.000013192 0.000000615 0.000004044 0.000020207 -0.000018341 0.000046248 -0.000026410 -0.000007672 -0.000011342 -0.000010257 0.000010263 -0.000015964 0.000004170 -0.000003913 0.000011673 -0.000008763 -0.000004459 0.000000596 0.000000119 -0.000022519 -0.000022955 -0.000036410 -0.000001904 -0.000016593 0.000019519 0.000020693 0.000031302 0.000012387 -0.000000079 0.000003379 -0.000008048 0.000018866 0.000002814 0.000008570 -0.000012834 -0.000023103 0.000003957 -0.000005187 0.000001842 0.000010301 0.000001231 -0.000001007 -0.000026597 -0.000027312 0.000019637 -0.000012208 0.000009550 0.000002292 0.000003160 0.000014209 0.000008496 -0.000007300 0.000028075 0.000021414 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:-.5818,-.6271,1.3902;-.2418,3.4024,-.4068;2.5773,1.618,1.7829;3.5842,.2689,-1.167;4.3153,.5106,-1.7487;1.6045,2.1808,-1.0332;1.7484,2.3289,-.0711;2.9244,1.0001,-1.23;.8736,1.5251,-1.0853;-1.0723,3.5273,.0766;-.9518,2.9941,.8922;2.0812,2.4609,1.6985;1.1787,2.2704,2.0229;-2.1764,-3.5285,-1.3329;-1.3991,-3.0763,-1.7307;-1.8533,-4.3973,-1.064;-2.8526,-2.0549,.937;-3.4052,-1.3032,.6319;-2.6405,-2.5704,.1293;-2.7,1.8317,-1.3108;-2.2015,2.5409,-.8368;-3.0348,2.2296,-2.1238;-4.3392,.1743,.1883;-3.7925,.7801,-.3571;-5.1012,-.0417,-.3632;2.4419,-2.2863,-1.0558;2.8429,-1.4016,-1.1812;1.6083,-2.2655,-1.5695;-.4017,.2739,-1.1856;-.4584,-.0305,-.2477;-1.2416,.7521,-1.3466;1.7652,-2.0385,1.5589;1.8705,-2.8709,2.0357;1.9957,-2.2276,.6139;-.6005,1.9171,2.2865;-.6595,.9603,2.052;-1.0242,2.018,3.1472;-.0348,-2.1207,-2.3603;-.2182,-1.2068,-2.0249;-.0038,-2.0496,-3.3226;3.5867,.11,1.6497;3.7287,.1554,.6831;-1.3729,-1.2109,1.2941;2.9795,-.6486,1.7582;.2023,-1.204,1.5203; Gaussian 16 GINC-CABRERA LAMSABHI Optimization 15-agua/ CONF777 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:-.5818,-.6271,1.3902;-.2418,3.4024,-.4068;2.5774,1.618,1.7829;3.5842,.2689,-1.167;4.3153,.5106,-1.7487;1.6045,2.1808,-1.0332;1.7484,2.3289,-.0711;2.9244,1.0001,-1.23;.8736,1.5251,-1.0853;-1.0723,3.5273,.0766;-.9518,2.9941,.8922;2.0812,2.4609,1.6985;1.1787,2.2704,2.0229;-2.1764,-3.5285,-1.3329;-1.3991,-3.0763,-1.7307;-1.8533,-4.3972,-1.064;-2.8526,-2.0549,.937;-3.4052,-1.3032,.6319;-2.6405,-2.5704,.1293;-2.7,1.8317,-1.3108;-2.2015,2.5409,-.8368;-3.0348,2.2296,-2.1238;-4.3392,.1743,.1883;-3.7925,.7801,-.3571;-5.1012,-.0417,-.3632;2.4419,-2.2863,-1.0558;2.8429,-1.4016,-1.1812;1.6083,-2.2655,-1.5695;-.4017,.2739,-1.1856;-.4584,-.0305,-.2477;-1.2416,.7521,-1.3466;1.7652,-2.0385,1.5589;1.8705,-2.8709,2.0357;1.9957,-2.2276,.6139;-.6005,1.9171,2.2865;-.6595,.9603,2.052;-1.0242,2.018,3.1472;-.0348,-2.1207,-2.3603;-.2182,-1.2068,-2.0249;-.0038,-2.0496,-3.3226;3.5867,.11,1.6497;3.7287,.1554,.6831;-1.3729,-1.2109,1.2941;2.9795,-.6486,1.7582;.2023,-1.204,1.5203; Optimization 15-agua/ CONF777 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/CONF777/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 R51 R52 1 1 1 1 2 3 3 4 4 4 4 6 6 6 7 9 10 10 11 12 13 14 14 14 15 17 17 17 18 20 20 20 20 23 23 26 26 26 28 29 29 29 32 32 32 32 35 35 38 38 41 41 30 36 43 45 10 12 41 5 8 27 42 7 8 9 12 29 11 21 35 13 35 15 16 19 38 18 19 43 23 21 22 24 31 24 25 27 28 34 38 30 31 39 33 34 44 45 36 37 39 40 42 44 1.7475 1.7216 0.9879 0.9821 0.969 0.9818 1.8195 0.965 0.9869 1.8276 1.8592 0.9839 1.7818 0.9834 1.8055 1.7894 0.9819 1.7556 1.7965 0.9778 1.833 0.9833 0.9651 1.8086 1.7807 0.9816 0.9814 1.7405 1.8034 0.988 0.9651 1.7914 1.8149 0.9815 0.9651 0.9793 0.9793 1.7293 1.8293 0.9877 0.9799 1.7119 0.965 0.9909 1.8563 1.7721 0.9869 0.9647 0.9906 0.9654 0.978 0.9778 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 30 30 30 36 36 43 5 5 5 8 8 27 7 7 8 2 2 11 3 3 7 15 15 16 18 18 19 21 21 21 22 22 24 18 18 24 27 27 28 9 9 9 30 30 31 33 33 33 34 34 44 11 11 11 13 13 36 15 15 15 28 28 39 3 3 42 4 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 10 10 10 12 12 12 14 14 14 17 17 17 20 20 20 20 20 20 23 23 23 26 26 26 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 42 36 43 45 43 45 45 8 27 42 27 42 42 8 9 9 11 21 21 7 13 13 16 19 19 19 43 43 22 24 31 24 31 31 24 25 25 28 34 34 30 31 39 31 39 39 34 44 45 44 45 45 13 36 37 36 37 37 28 39 40 39 40 40 42 44 44 41 92.7874 99.6212 105.5628 123.1037 121.7858 107.766 106.4032 122.1094 123.798 113.9213 99.251 89.0533 95.7071 105.1225 95.9018 103.829 102.6677 101.8873 96.5838 105.7012 98.0924 105.1925 106.6385 109.7262 105.5563 99.8492 103.8767 106.4548 118.2766 91.7748 118.6178 120.4878 98.7074 110.724 111.4764 105.0867 105.2049 101.4557 106.6227 101.7244 106.1886 123.7733 104.9026 101.8426 115.6886 106.3319 121.4224 120.8769 95.3422 105.9169 103.1006 87.857 112.6514 122.9505 102.1628 122.3105 106.6902 119.5273 103.5007 114.6154 95.3366 114.0747 105.9947 96.5738 106.8785 103.6405 167.1685 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 12 6 4 6 10 12 14 17 14 10 20 4 26 1 20 26 1 29 1 32 1 12 6 4 6 10 12 14 17 14 10 20 4 26 1 20 26 1 29 1 32 1 3 7 8 9 11 13 15 18 19 21 24 27 28 30 31 34 36 39 43 44 45 3 7 8 9 11 13 15 18 19 21 24 27 28 30 31 34 36 39 43 44 45 41 12 6 29 35 35 38 23 17 20 23 26 38 29 29 32 35 38 17 41 32 41 12 6 29 35 35 38 23 17 20 23 26 38 29 29 32 35 38 17 41 32 1 1 1 2 4 2 1 2 3 1 1 1 1 2 2 2 3 4 20 2 3 1 1 1 2 4 2 1 2 3 1 1 1 1 2 2 2 3 4 20 2 3 -1 -1 -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 -2 -2 182.3645 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 177.9344 169.2218 182.4924 173.9479 169.8714 175.3024 176.4558 178.085 168.9433 176.2976 175.0241 173.2297 182.0644 170.0443 172.1671 172.8002 175.1195 170.8954 172.8323 172.1992 170.5592 175.4363 175.1561 180.5979 180.9939 175.3087 182.8302 184.5418 181.6673 185.1655 180.5011 186.1418 179.3423 180.7178 172.1432 184.7239 171.9601 170.5449 179.323 190.7678 186.9349 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 30 30 36 36 45 45 36 36 36 43 43 43 45 45 45 30 30 30 36 36 36 43 43 43 30 30 30 43 43 43 45 45 45 5 5 27 27 42 42 5 5 8 8 42 42 8 8 9 9 7 7 7 8 8 8 2 2 2 11 11 11 2 2 2 21 21 21 3 3 3 7 7 7 7 7 13 13 5 8 27 15 15 16 16 16 16 16 19 19 19 19 19 43 43 21 21 22 22 31 31 21 21 21 22 22 22 24 24 24 27 27 27 28 28 28 27 27 27 34 34 34 9 9 9 30 30 30 31 31 31 33 33 34 34 45 45 3 44 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 4 4 4 14 14 14 14 14 14 14 14 14 14 17 17 17 17 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 26 26 26 26 26 26 26 26 26 26 26 26 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 41 41 17 17 17 17 17 17 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 32 32 32 35 35 35 35 35 35 35 35 35 6 6 6 6 6 6 26 26 26 26 26 26 12 12 12 12 29 29 29 29 29 29 20 20 20 20 20 20 35 35 35 35 35 35 35 35 35 35 35 35 41 41 41 41 42 42 42 17 17 17 17 38 38 38 38 38 38 23 23 23 23 23 23 23 23 23 23 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 41 41 41 41 41 41 42 42 18 19 18 19 18 19 9 31 39 9 31 39 9 31 39 33 34 44 33 34 44 33 34 44 11 13 37 11 13 37 11 13 37 7 9 7 9 7 9 28 34 28 34 28 34 3 13 3 13 30 31 39 30 31 39 22 24 31 22 24 31 13 36 37 13 36 37 11 36 37 11 36 37 42 44 42 44 41 41 41 18 43 18 43 28 39 40 28 39 40 24 25 24 25 18 25 18 25 18 25 9 30 39 9 30 39 9 30 39 33 44 45 33 44 45 15 39 40 15 39 40 15 28 40 15 28 40 15 28 40 3 42 3 42 3 42 4 4 -58.1 49.7522 37.9581 145.8102 -167.0579 -59.2057 48.2334 -62.7465 176.8037 172.5404 61.5605 -58.8894 -76.1207 172.8995 52.4496 -143.4803 -22.0887 76.1144 117.599 -121.0094 -22.8063 -38.5479 82.8437 -178.9532 15.7828 -74.3342 155.6379 -85.6745 -175.7914 54.1806 123.6637 33.5467 -96.4812 -117.46 137.1717 101.5811 -3.7872 11.545 -93.8233 -101.0517 149.1283 31.3572 -78.4628 129.8691 20.0491 -19.5532 -126.2471 77.2505 -29.4434 -11.3068 98.4356 -123.8376 85.795 -164.4626 -26.7358 -81.3487 136.1797 39.3134 172.6987 30.2271 -66.6392 27.9339 -73.7552 155.6285 133.2102 31.5211 -99.0952 -138.1669 -26.086 94.3878 -40.9914 71.0896 -168.4367 19.7106 -85.8276 118.7519 13.2137 161.4776 44.5199 -69.5712 82.9435 -21.5269 -164.0926 91.437 -39.0906 -142.1616 103.5948 76.9479 -26.123 -140.3667 -65.9643 51.5294 41.1942 158.6879 -94.1382 145.5094 133.5653 13.2129 1.8859 -118.4666 -25.8596 78.331 -170.4385 82.5942 -173.2152 -61.9847 -144.152 -39.9614 71.2691 -144.0977 -19.7147 83.923 107.1771 -128.4398 -24.8021 -148.4921 -41.0395 68.6574 -42.953 64.4996 174.1965 163.3818 42.9842 -73.216 53.2417 -67.1559 176.6438 -58.9725 -179.37 64.4297 -137.5023 124.0033 111.3565 12.8621 4.7198 -93.7746 -53.113 56.0778 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00014 0.00019 0.00048 0.00065 0.00066 0.00087 0.00104 0.00110 0.00123 0.00127 0.00150 0.00176 0.00199 0.00213 0.00224 0.00277 0.00282 0.00312 0.00321 0.00344 0.00364 0.00386 0.00416 0.00428 0.00458 0.00474 0.00497 0.00520 0.00524 0.00580 0.00610 0.00628 0.00639 0.00650 0.00673 0.00709 0.00715 0.00765 0.00790 0.00816 0.00847 0.00863 0.00881 0.00898 0.00948 0.00963 0.00982 0.01014 0.01038 0.01082 0.01095 0.01128 0.01142 0.01158 0.01186 0.01210 0.01223 0.01259 0.01294 0.01320 0.01344 0.01347 0.01375 0.01400 0.01436 0.01451 0.01471 0.01513 0.01532 0.01551 0.01571 0.01602 0.01622 0.01683 0.01729 0.01737 0.01750 0.01824 0.01915 0.01978 0.02071 0.02150 0.02336 0.02982 0.03551 0.03655 0.03747 0.04033 0.04133 0.04336 0.04370 0.04456 0.04540 0.04695 0.05185 0.05431 0.05624 0.06376 0.06669 0.30243 0.32400 0.33730 0.36785 0.38460 0.39370 0.40423 0.41897 0.42046 0.42958 0.43251 0.43759 0.44254 0.44745 0.45005 0.45375 0.45598 0.46048 0.46270 0.46508 0.46557 0.47434 0.50623 0.52618 0.52645 0.52665 0.52722 0.52724 0.52732 0.52859 Angle between quadratic step and forces= 71.03 degrees. 1 2 3 0.00178389 0.00001034 0.00000000 0.00001430 0.00000285 0.00000285 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 R51 R52 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 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 3.30239 3.25332 1.86688 1.85596 1.83112 1.85528 3.43835 1.82361 1.86502 3.45375 3.51333 1.85936 3.36715 1.85828 3.41190 3.38144 1.85552 3.31768 3.39491 1.84775 3.46386 1.85825 1.82381 3.41776 3.36502 1.85488 1.85464 3.28902 3.40785 1.86708 1.82368 3.38519 3.42969 1.85483 1.82371 1.85067 1.85070 3.26789 3.45679 1.86647 1.85166 3.23501 1.82367 1.87256 3.50796 3.34872 1.86491 1.82294 1.87190 1.82443 1.84813 1.84782 1.61945 1.73872 1.84242 2.14856 2.12556 1.88087 1.85709 2.13121 2.16068 1.98830 1.73226 1.55427 1.67040 1.83473 1.67380 1.81216 1.79189 1.77827 1.68570 1.84483 1.71204 1.83596 1.86119 1.91508 1.84230 1.74270 1.81299 1.85799 2.06432 1.60177 2.07027 2.10291 1.72277 1.93250 1.94563 1.83411 1.83617 1.77074 1.86092 1.77543 1.85334 2.16025 1.83090 1.77749 2.01915 1.85584 2.11922 2.10970 1.66404 1.84860 1.79944 1.53339 1.96614 2.14589 1.78308 2.13472 1.86210 2.08614 1.80643 2.00042 1.66394 1.99098 1.84996 1.68553 1.86538 1.80887 2.91764 3.18286 3.10554 2.95348 3.18509 3.03596 2.96481 3.05960 3.07973 3.10817 2.94862 3.07697 3.05475 3.02343 3.17762 2.96783 3.00488 3.01593 3.05641 2.98269 3.01649 3.00544 2.97682 3.06194 3.05705 3.15203 3.15894 3.05971 3.19099 3.22086 3.17069 3.23175 3.15034 3.24879 3.13011 3.15412 3.00446 3.22404 3.00127 2.97657 3.12978 3.32953 3.26263 -1.01404 0.86834 0.66249 2.54487 -2.91571 -1.03333 0.84183 -1.09513 3.08581 3.01140 1.07443 -1.02781 -1.32856 3.01766 0.91542 -2.50420 -0.38552 1.32845 2.05249 -2.11201 -0.39804 -0.67279 1.44590 -3.12332 0.27546 -1.29738 2.71639 -1.49530 -3.06814 0.94563 2.15834 0.58550 -1.68392 -2.05006 2.39410 1.77292 -0.06610 0.20150 -1.63753 -1.76369 2.60278 0.54729 -1.36943 2.26664 0.34992 -0.34127 -2.20343 1.34828 -0.51388 -0.19734 1.71803 -2.16137 1.49740 -2.87041 -0.46663 -1.41980 2.37678 0.68615 3.01416 0.52756 -1.16307 0.48754 -1.28727 2.71623 2.32496 0.55015 -1.72954 -2.41147 -0.45529 1.64738 -0.71544 1.24075 -2.93977 0.34402 -1.49797 2.07261 0.23062 2.81832 0.77702 -1.21425 1.44764 -0.37572 -2.86396 1.59588 -0.68226 -2.48119 1.80807 1.34300 -0.45593 -2.44986 -1.15129 0.89936 0.71897 2.76963 -1.64302 2.53962 2.33115 0.23061 0.03291 -2.06763 -0.45134 1.36713 -2.97471 1.44154 -3.02318 -1.08184 -2.51593 -0.69746 1.24388 -2.51498 -0.34409 1.46473 1.87059 -2.24170 -0.43288 -2.59168 -0.71628 1.19830 -0.74967 1.12573 3.04030 2.85155 0.75022 -1.27786 0.92924 -1.17209 3.08302 -1.02926 -3.13060 1.12451 -2.39987 2.16427 1.94354 0.22449 0.08238 -1.63667 -0.92700 0.97874 0.00000 0.00002 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00002 0.00001 0.00003 -0.00000 0.00002 0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00000 0.00002 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00002 -0.00002 0.00000 -0.00000 -0.00002 0.00001 -0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00002 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 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 -0.00001 0.00001 0.00000 0.00002 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00171 -0.00002 -0.00006 -0.00004 0.00002 -0.00033 -0.00002 0.00003 0.00015 -0.00025 0.00001 -0.00067 -0.00009 0.00020 0.00103 -0.00013 0.00149 0.00115 0.00001 0.00049 -0.00011 -0.00000 0.00027 0.00106 -0.00002 -0.00002 0.00047 0.00016 -0.00012 0.00001 0.00041 -0.00048 -0.00014 -0.00005 -0.00005 -0.00004 -0.00067 0.00089 -0.00005 0.00009 0.00053 -0.00000 0.00008 0.00126 0.00106 -0.00015 -0.00000 -0.00006 -0.00000 0.00002 -0.00009 -0.00000 -0.00045 -0.00042 0.00175 -0.00120 -0.00004 0.00016 0.00446 -0.00300 0.00038 -0.00035 -0.00296 0.00000 -0.00041 0.00027 0.00018 -0.00088 -0.00011 -0.00091 -0.00009 0.00113 -0.00004 -0.00078 -0.00174 -0.00003 -0.00087 0.00191 -0.00005 0.00131 0.00001 0.00240 -0.00506 0.00030 0.00049 -0.00023 0.00033 -0.00003 0.00187 0.00052 0.00260 -0.00062 -0.00123 -0.00017 0.00080 -0.00054 -0.00002 0.00132 -0.00044 -0.00086 0.00023 -0.00042 -0.00131 0.00183 0.00368 -0.00009 -0.00493 0.00001 0.00117 0.00045 -0.00008 -0.00084 -0.00085 0.00003 0.00016 0.00012 0.00008 0.00275 0.00005 -0.00074 -0.00042 -0.00022 0.00018 0.00040 -0.00052 0.00007 0.00023 -0.00046 -0.00172 -0.00024 -0.00021 -0.00031 0.00039 0.00001 0.00015 0.00028 -0.00026 -0.00039 0.00050 0.00097 0.00044 0.00052 0.00137 0.00073 0.00064 0.00007 0.00008 0.00016 -0.00069 -0.00058 -0.00068 -0.00007 0.00010 0.00005 0.00029 -0.00151 -0.00057 -0.00019 0.00162 0.00063 -0.00178 -0.00172 -0.00192 -0.00186 -0.00102 -0.00096 -0.00055 -0.00071 -0.00042 0.00115 0.00099 0.00127 0.00087 0.00071 0.00099 0.00052 0.00007 -0.00090 0.00119 0.00075 -0.00022 -0.00055 -0.00100 -0.00197 0.00027 0.00157 0.00722 0.00103 0.00233 0.00798 -0.00073 0.00057 0.00622 0.00563 0.00603 -0.00134 -0.00094 0.00196 0.00236 -0.00376 -0.00500 0.00200 0.00076 0.00038 -0.00086 -0.00004 0.00009 0.00024 0.00037 0.00014 0.00065 -0.00208 0.00008 0.00059 -0.00214 0.00578 0.00063 0.00029 0.00583 0.00068 0.00033 -0.00014 0.00035 -0.00582 -0.00111 -0.00062 -0.00679 0.00010 0.00176 -0.00143 -0.00035 0.00130 -0.00189 -0.00269 -0.00297 -0.00166 -0.00194 -0.01355 -0.01191 -0.01177 0.00119 0.00139 -0.00005 0.00015 0.00078 0.00122 0.00096 -0.00170 -0.00125 -0.00151 0.00161 0.00225 0.00331 0.00395 -0.00202 -0.00246 -0.00676 -0.00720 -0.00191 -0.00235 -0.00096 0.00171 0.00243 -0.00186 0.00081 0.00153 -0.00233 0.00035 0.00106 -0.00012 0.00085 0.00017 -0.00092 0.00004 -0.00064 -0.00218 -0.00192 -0.00257 -0.00002 0.00025 -0.00041 0.00417 0.00315 0.00444 0.00077 -0.00025 0.00105 0.00075 -0.00028 0.00102 -0.00093 -0.00085 -0.00031 -0.00023 -0.00020 -0.00012 0.01196 0.01214 -0.00002 0.00171 -0.00002 -0.00006 -0.00004 0.00002 -0.00033 -0.00002 0.00004 0.00015 -0.00025 0.00001 -0.00067 -0.00009 0.00021 0.00103 -0.00013 0.00149 0.00115 0.00001 0.00049 -0.00011 -0.00000 0.00027 0.00106 -0.00002 -0.00002 0.00047 0.00016 -0.00013 0.00001 0.00040 -0.00048 -0.00014 -0.00005 -0.00006 -0.00004 -0.00068 0.00089 -0.00005 0.00009 0.00053 -0.00000 0.00007 0.00126 0.00106 -0.00015 -0.00000 -0.00006 -0.00000 0.00002 -0.00009 -0.00000 -0.00045 -0.00042 0.00175 -0.00120 -0.00004 0.00016 0.00445 -0.00299 0.00038 -0.00036 -0.00295 0.00000 -0.00041 0.00027 0.00018 -0.00088 -0.00011 -0.00091 -0.00008 0.00113 -0.00004 -0.00078 -0.00174 -0.00003 -0.00087 0.00191 -0.00005 0.00131 0.00001 0.00239 -0.00506 0.00031 0.00048 -0.00023 0.00033 -0.00003 0.00187 0.00052 0.00260 -0.00062 -0.00124 -0.00017 0.00080 -0.00054 -0.00002 0.00132 -0.00043 -0.00086 0.00023 -0.00042 -0.00131 0.00183 0.00367 -0.00009 -0.00493 -0.00000 0.00117 0.00045 -0.00008 -0.00084 -0.00085 0.00003 0.00015 0.00012 0.00009 0.00274 0.00005 -0.00075 -0.00042 -0.00022 0.00018 0.00040 -0.00052 0.00007 0.00023 -0.00046 -0.00172 -0.00023 -0.00021 -0.00031 0.00039 0.00002 0.00015 0.00028 -0.00026 -0.00039 0.00050 0.00097 0.00044 0.00051 0.00136 0.00073 0.00064 0.00007 0.00008 0.00015 -0.00069 -0.00058 -0.00069 -0.00007 0.00010 0.00005 0.00030 -0.00151 -0.00057 -0.00019 0.00162 0.00064 -0.00178 -0.00172 -0.00192 -0.00186 -0.00102 -0.00096 -0.00055 -0.00071 -0.00042 0.00115 0.00099 0.00127 0.00087 0.00071 0.00099 0.00052 0.00007 -0.00090 0.00120 0.00075 -0.00022 -0.00055 -0.00100 -0.00197 0.00027 0.00157 0.00722 0.00103 0.00233 0.00798 -0.00073 0.00057 0.00622 0.00562 0.00602 -0.00134 -0.00094 0.00196 0.00236 -0.00377 -0.00501 0.00200 0.00076 0.00038 -0.00086 -0.00004 0.00009 0.00024 0.00037 0.00014 0.00065 -0.00208 0.00008 0.00059 -0.00214 0.00578 0.00064 0.00029 0.00582 0.00068 0.00033 -0.00014 0.00036 -0.00583 -0.00111 -0.00061 -0.00680 0.00011 0.00176 -0.00143 -0.00035 0.00130 -0.00189 -0.00268 -0.00297 -0.00165 -0.00194 -0.01356 -0.01191 -0.01177 0.00119 0.00139 -0.00004 0.00015 0.00078 0.00122 0.00096 -0.00170 -0.00125 -0.00151 0.00161 0.00224 0.00331 0.00395 -0.00202 -0.00246 -0.00676 -0.00720 -0.00191 -0.00235 -0.00097 0.00171 0.00243 -0.00186 0.00081 0.00153 -0.00233 0.00035 0.00106 -0.00011 0.00085 0.00017 -0.00092 0.00004 -0.00064 -0.00218 -0.00192 -0.00257 -0.00002 0.00025 -0.00041 0.00417 0.00315 0.00444 0.00077 -0.00025 0.00105 0.00074 -0.00028 0.00102 -0.00093 -0.00085 -0.00031 -0.00022 -0.00019 -0.00011 0.01196 0.01214 3.30236 3.25503 1.86686 1.85590 1.83108 1.85530 3.43802 1.82359 1.86506 3.45389 3.51308 1.85937 3.36648 1.85819 3.41211 3.38247 1.85539 3.31917 3.39605 1.84776 3.46435 1.85814 1.82381 3.41803 3.36608 1.85485 1.85463 3.28949 3.40801 1.86695 1.82369 3.38559 3.42921 1.85468 1.82366 1.85062 1.85065 3.26721 3.45768 1.86642 1.85175 3.23554 1.82367 1.87263 3.50922 3.34979 1.86476 1.82294 1.87184 1.82442 1.84815 1.84773 1.61944 1.73827 1.84199 2.15031 2.12436 1.88083 1.85724 2.13566 2.15769 1.98868 1.73190 1.55132 1.67041 1.83433 1.67407 1.81233 1.79101 1.77815 1.68480 1.84475 1.71317 1.83591 1.86041 1.91334 1.84227 1.74182 1.81490 1.85793 2.06562 1.60178 2.07266 2.09785 1.72307 1.93298 1.94540 1.83444 1.83614 1.77260 1.86144 1.77803 1.85272 2.15901 1.83073 1.77829 2.01860 1.85582 2.12055 2.10927 1.66318 1.84883 1.79902 1.53209 1.96797 2.14956 1.78298 2.12979 1.86209 2.08732 1.80688 2.00034 1.66309 1.99013 1.84999 1.68568 1.86550 1.80896 2.92038 3.18291 3.10480 2.95306 3.18487 3.03614 2.96522 3.05909 3.07980 3.10840 2.94816 3.07526 3.05451 3.02322 3.17731 2.96822 3.00490 3.01609 3.05670 2.98243 3.01610 3.00594 2.97779 3.06238 3.05756 3.15339 3.15967 3.06036 3.19105 3.22094 3.17085 3.23106 3.14976 3.24810 3.13004 3.15422 3.00452 3.22434 2.99976 2.97600 3.12958 3.33114 3.26327 -1.01582 0.86662 0.66057 2.54301 -2.91673 -1.03429 0.84128 -1.09584 3.08539 3.01254 1.07542 -1.02654 -1.32769 3.01837 0.91641 -2.50368 -0.38545 1.32755 2.05369 -2.11126 -0.39827 -0.67334 1.44490 -3.12529 0.27573 -1.29580 2.72361 -1.49427 -3.06581 0.95361 2.15761 0.58607 -1.67770 -2.04444 2.40012 1.77158 -0.06704 0.20345 -1.63517 -1.76745 2.59777 0.54928 -1.36868 2.26703 0.34906 -0.34131 -2.20333 1.34852 -0.51351 -0.19720 1.71867 -2.16345 1.49748 -2.86983 -0.46877 -1.41402 2.37742 0.68644 3.01999 0.52824 -1.16274 0.48740 -1.28691 2.71040 2.32385 0.54953 -1.73633 -2.41136 -0.45353 1.64594 -0.71578 1.24205 -2.94166 0.34134 -1.50095 2.07096 0.22868 2.80476 0.76511 -1.22602 1.44883 -0.37433 -2.86400 1.59603 -0.68148 -2.47996 1.80903 1.34130 -0.45718 -2.45137 -1.14969 0.90160 0.72228 2.77357 -1.64504 2.53716 2.32439 0.22341 0.03100 -2.06998 -0.45230 1.36884 -2.97229 1.43968 -3.02236 -1.08031 -2.51825 -0.69711 1.24495 -2.51509 -0.34324 1.46490 1.86968 -2.24165 -0.43352 -2.59386 -0.71819 1.19572 -0.74969 1.12598 3.03989 2.85572 0.75336 -1.27342 0.93002 -1.17234 3.08406 -1.02852 -3.13087 1.12553 -2.40080 2.16342 1.94323 0.22426 0.08218 -1.63678 -0.91504 0.99089 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000006 0.009261 0.001793 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -7.235179e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 525 A 510 A 510 780 525 75 75 1441.6148831054 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) -0.0478026670 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 4.425115 0.000000 3.895494 3.990836 0.000000 4.969676 5.003558 3.396456 0.000000 5.926915 5.561515 4.088907 0.965015 0.000000 4.305505 2.300811 3.032105 2.755466 3.263381 0.000000 4.037727 2.286065 2.151785 2.968965 3.564995 0.983930 0.000000 4.669751 4.058792 3.095200 0.986928 1.563070 1.781820 2.119361 0.000000 3.588658 2.286697 3.337429 2.988672 3.648869 0.983359 1.562036 2.121841 0.000000 4.384750 0.968986 4.458443 5.817870 6.438837 3.195357 3.068334 4.905915 3.024203 0.000000 3.673989 1.535543 3.891249 5.678209 6.394020 3.301970 2.943008 4.848119 3.066023 0.981897 0.000000 4.089329 3.273372 0.981772 3.908350 4.547317 2.787059 1.805499 3.379554 3.175512 3.703070 3.183278 0.000000 3.448933 3.033553 1.561893 4.468552 5.211518 3.086882 2.170926 3.904181 3.210858 3.230356 2.518140 0.977785 0.000000 4.286678 7.255108 7.667593 6.901574 7.656909 6.854264 7.162686 6.821706 5.907770 7.279406 6.999580 7.949143 7.492938 0.000000 4.050479 6.713022 7.084743 6.028347 6.746817 6.094672 6.471176 5.963156 5.172399 6.854228 6.627868 7.384593 7.022887 0.983343 0.000000 4.674808 7.991431 7.994922 7.165883 7.912449 7.431588 7.694068 7.210036 6.519989 8.044255 7.698790 8.375343 7.948541 0.965120 1.547849 0.000000 2.720389 6.197049 6.609837 7.159559 8.072979 6.456685 6.434500 6.884919 5.548914 5.922072 5.395120 6.731628 6.011522 2.789442 3.205090 3.238733 0.000000 3.000615 5.764367 6.756393 7.386418 8.280244 6.325195 6.343933 6.988206 5.408878 5.393019 4.955164 6.738441 5.976380 3.212805 3.570736 3.854574 0.981558 0.000000 3.099136 6.458751 6.892256 6.963393 7.835937 6.476568 6.580703 6.750092 5.531481 6.296425 5.864971 7.076113 6.450225 1.808600 2.292698 2.319656 0.981436 1.563130 0.000000 4.222376 3.054011 6.121096 6.477286 7.152043 4.327629 4.644619 5.686143 3.593859 2.729339 3.043127 5.684365 5.133256 5.385749 5.094805 6.291106 4.492382 3.754861 4.632120 0.000000 4.197593 2.183424 5.527432 6.224633 6.886381 3.828092 4.029017 5.366898 3.248091 1.755641 2.180959 4.977528 4.435844 6.089682 5.744187 6.950630 4.969079 4.287564 5.220371 0.988014 0.000000 5.150377 3.481997 6.865346 6.969316 7.557716 4.766060 5.205978 6.149979 4.104919 3.221339 3.744275 6.390378 5.911856 5.875154 5.566134 6.814243 5.268603 4.495721 5.317156 0.965052 1.564501 0.000000 4.025571 5.250089 7.243359 8.039094 8.874999 6.391146 6.462881 7.446721 5.533585 4.682757 4.463378 6.980783 6.181154 4.549972 4.784678 5.352302 2.782026 1.803359 3.228439 2.771548 3.349902 3.357347 0.000000 3.916938 4.414336 6.771816 7.438671 8.230771 5.616720 5.760422 6.776962 4.781023 3.890378 3.812165 6.446054 5.709507 4.703994 4.742009 5.573609 3.255026 2.338425 3.576301 1.791364 2.421168 2.407559 0.981532 0.000000 4.882806 5.956221 8.143700 8.728011 9.533806 7.096108 7.254046 8.139140 6.218837 5.400272 5.292402 7.880349 7.104608 4.653155 4.978323 5.478165 3.286213 2.336194 3.562573 3.189520 3.911813 3.539534 0.965064 1.545267 0.000000 4.228286 6.323303 4.829072 2.801054 3.436849 4.544921 4.769683 3.326103 4.121467 6.886940 6.572177 5.500193 5.642441 4.790427 3.979024 4.785916 5.661851 6.164666 5.226434 6.592584 6.701553 7.178254 7.320229 6.982738 7.900314 0.000000 4.352052 5.761400 4.239629 1.827643 2.479211 3.793318 4.043102 2.403556 3.528851 6.419163 6.166072 4.877704 5.149687 5.453404 4.593564 5.571518 6.111646 6.506576 5.757677 6.418376 6.411584 6.972911 7.479445 7.033344 8.101005 0.979335 0.000000 4.029969 6.074534 5.221043 3.238722 3.881555 4.478556 4.834565 3.537118 3.891358 6.591853 6.346425 5.765640 5.802079 3.996859 3.118929 4.096648 5.121191 5.559436 4.585950 5.951151 6.176851 6.486260 6.664518 6.317803 7.170576 0.979347 1.556056 0.000000 2.734789 3.227963 4.415141 3.985940 4.756322 2.772106 3.176138 3.404684 1.789380 3.553588 3.466895 4.389297 4.096096 4.198680 3.537687 4.892984 3.991933 3.848574 3.851139 2.779413 2.915597 3.411512 4.171576 3.527127 4.781319 3.828423 3.651642 3.261259 0.000000 1.747547 3.443354 4.007095 4.156658 5.033292 3.124524 3.235391 3.670202 2.212622 3.624925 3.269650 4.055173 3.623475 4.045350 3.515817 4.656264 3.351675 3.328184 3.369699 3.102065 3.161886 3.907085 3.910582 3.432962 4.644161 3.762113 3.694627 3.318736 0.987694 0.000000 3.134956 2.984382 5.012783 4.853263 5.576603 3.199956 3.612868 4.174943 2.267081 3.123428 3.181581 4.820111 4.417715 4.381504 3.850832 5.193293 3.961013 3.580518 3.895484 1.814915 2.093121 2.449998 3.505066 2.736289 4.061232 4.783749 4.620497 4.156652 0.979856 1.559951 0.000000 2.743823 6.123310 3.752287 4.007887 4.892945 4.954500 4.661666 4.284224 4.526112 6.420849 5.757876 4.512674 4.373308 5.110561 4.680892 5.053365 4.659486 5.304003 4.662220 6.568993 6.514981 7.403928 6.636145 6.519469 7.404569 2.712191 3.012471 3.140498 4.192170 3.498595 5.026924 0.000000 3.385960 7.055588 4.551189 4.801246 5.633194 5.916778 5.611689 5.172985 5.482604 7.309978 6.608379 5.346613 5.187625 5.306296 4.991811 5.079830 4.917391 5.679886 4.906474 7.362289 7.356645 8.208408 7.158665 7.150179 7.896999 3.197778 3.667770 3.665040 5.042705 4.324999 5.852457 0.965045 0.000000 3.131694 6.143689 4.061230 3.453596 4.296513 4.722280 4.614314 3.831490 4.269532 6.543767 6.002578 4.813120 4.783807 4.784137 4.212083 4.726225 4.862103 5.479427 4.673988 6.498635 6.516119 7.257202 6.788311 6.594876 7.489829 1.729292 2.149944 2.217776 3.904190 3.404747 4.816862 0.990915 1.565579 0.000000 2.697517 3.096499 3.231389 5.670537 6.513507 3.993981 3.353403 5.062763 3.700785 2.774768 1.796506 2.798766 1.832993 6.725827 6.458233 7.257130 4.761238 4.579719 5.380776 4.166007 3.564724 5.047167 4.627908 4.297715 5.577927 6.172126 5.907237 6.102570 3.846425 3.199227 3.868762 4.666092 5.393821 5.168770 0.000000 1.721581 3.490494 3.313902 5.371088 6.276566 4.016650 3.489755 4.859731 3.537222 3.265347 2.359433 3.144537 2.257436 5.822964 5.581157 6.311718 3.891559 3.831297 4.481873 4.028830 3.636113 4.968931 4.199000 3.956299 5.154173 5.460475 5.319623 5.353831 3.319557 2.512046 3.454342 3.887765 4.591170 4.390964 0.986868 0.000000 3.206136 3.893499 3.872038 6.550528 7.399483 4.940898 4.259324 5.982291 4.664664 3.421893 2.458295 3.455240 2.486095 7.222273 7.062973 7.718596 4.981566 4.798506 5.724824 4.766197 4.187087 5.645394 4.810741 4.634229 5.760756 6.943038 6.736705 6.893884 4.711966 4.005175 4.673739 5.172865 5.789286 5.793320 0.964656 1.565658 0.000000 4.073868 5.862017 6.161765 4.497907 5.120599 4.790764 5.312103 4.446693 3.967630 6.238179 6.130272 6.476297 6.321895 2.761153 1.780690 3.189080 4.337827 4.580532 3.631809 4.881237 5.361555 5.289668 5.503697 5.152457 5.829106 2.804111 3.191944 1.829257 2.692271 3.001939 3.276728 4.313541 4.849526 3.602782 6.181916 5.417634 6.959889 0.000000 3.483014 4.885067 5.504059 4.168023 4.855763 3.972687 4.492895 3.921502 3.088400 5.249591 5.166747 5.709968 5.516084 3.114995 2.230619 3.711534 4.053645 4.150263 3.516714 3.987764 4.403502 4.444300 4.877363 4.416456 5.287881 3.029929 3.181251 2.159734 1.711895 2.144788 2.311914 4.179596 4.860078 3.592566 5.337891 4.638114 6.148155 0.990565 0.000000 4.956674 6.187337 6.795626 4.784988 5.261768 5.071969 5.728307 4.717377 4.307394 6.618059 6.640944 7.064279 6.973902 3.296418 2.352677 3.746134 5.124482 5.269258 4.374835 5.136342 5.664131 5.379179 6.005720 5.581756 6.226788 3.343030 3.620703 2.391464 3.181786 3.706619 3.645077 5.192164 5.735793 4.418797 6.895858 6.194821 7.710080 0.965445 1.562158 0.000000 4.241158 5.452210 1.819494 2.821113 3.498576 3.926182 3.356186 3.086022 4.104110 5.988310 5.430445 2.792102 3.256579 7.439604 6.814534 7.567943 6.830820 7.205569 6.948010 7.159075 6.752470 7.910529 8.059834 7.676596 8.919317 3.791111 3.294239 4.463217 4.896230 4.470256 5.718629 2.818263 3.461266 3.011469 4.604803 4.349163 5.210008 5.845639 5.451105 6.502301 0.000000 4.437673 5.243671 2.162048 1.859173 2.526621 3.400007 3.035551 2.240646 3.626994 5.898148 5.478034 3.010128 3.573650 7.246051 6.524153 7.412026 6.947220 7.281683 6.950090 6.936484 6.570286 7.610928 8.083147 7.618517 8.893837 3.262131 2.585444 3.928249 4.535006 4.293397 5.401830 3.071775 3.800126 2.947381 4.941328 4.666687 5.668486 5.348548 4.976701 5.902527 0.977989 0.000000 0.987911 5.045308 4.883276 5.728889 6.676673 5.077955 4.912928 5.452214 4.265499 4.901455 4.245150 5.057381 4.377381 3.594094 3.553833 3.993015 1.740472 2.139429 2.193584 4.219566 4.393638 5.126527 3.455525 3.541947 4.244229 4.607747 4.892508 4.266161 3.049106 2.146386 3.293096 3.256147 3.718205 3.583818 3.371328 2.407816 3.739162 3.996650 3.514172 4.887996 5.144875 5.316685 0.000000 3.580274 5.610209 2.302135 3.124737 3.927627 4.205680 3.705055 3.413288 4.152724 6.056711 5.428992 3.237258 3.440006 6.665626 6.102237 6.735907 6.055159 6.516187 6.158761 6.915745 6.614361 7.715254 7.530270 7.237109 8.376444 3.299897 3.037324 3.945579 4.576989 4.027989 5.423928 1.856335 2.499041 2.184129 4.436021 3.989590 5.006987 5.311735 4.984832 6.056173 0.977823 1.537416 4.413026 0.000000 0.982131 5.012948 3.697742 4.563739 5.526488 4.465787 4.171825 4.453254 3.832444 5.108323 4.398936 4.122341 3.643817 4.381971 4.079053 4.593571 3.224428 3.716629 3.447258 5.065029 5.035773 5.962207 4.929477 4.839461 5.746775 3.580917 3.782764 3.556685 3.141761 2.222490 3.759049 1.772068 2.413876 2.255052 3.312539 2.389494 3.812177 3.994420 3.570040 4.920496 3.632858 3.870950 1.591434 2.842082 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:-.5203,-.108,1.5423;.3801,3.1645,-1.2969;3.0467,1.3888,1.0828;3.3733,-.8418,-1.4576;4.0561,-.924,-2.1345;1.8488,1.4405,-1.7022;2.1428,1.7861,-.8291;2.8699,-.0193,-1.6678;1.0014,.9754,-1.5219;-.339,3.5902,-.8064;-.2224,3.263,.112;2.7218,2.2742,.8099;1.8493,2.3795,1.2384;-3.0006,-3.1554,-.1716;-2.207,-3.0041,-.7323;-2.8251,-3.9801,.2979;-3.0693,-1.0511,1.6582;-3.4958,-.2937,1.2023;-3.0708,-1.7851,1.0068;-2.4379,2.0174,-1.5615;-1.7508,2.6902,-1.3345;-2.7891,2.2662,-2.4253;-4.1661,1.1994,.4449;-3.585,1.5109,-.2823;-5.0207,1.0316,.0291;1.7688,-2.9622,-.5771;2.3184,-2.2509,-.9657;.8966,-2.8814,-1.0152;-.4997,.0607,-1.1872;-.4939,.0197,-.2004;-1.2411,.6615,-1.41;1.4999,-1.9269,1.9153;1.4981,-2.6165,2.5904;1.5635,-2.3917,1.0424;.0849,2.515,1.7163;-.1935,1.569,1.7541;-.195,2.9195,2.5461;-.773,-2.5692,-1.6942;-.7255,-1.5837,-1.6059;-.8535,-2.748,-2.6395;3.7093,-.2931,1.2892;3.7309,-.5224,.3387;-1.4176,-.5026,1.6654;2.9822,-.8433,1.6426;.1432,-.7966,1.7662; 0.3097486 0.2510682 0.1907740 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= 8.10D-05 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= 524 524 524 524 524 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22778559219 -1147.22778559 1 1.143314355390e+03 -5.594883543556e+03 1.862759072564e+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. 13761 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= 770000000 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 1.39D+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= 2.00D+00 1.37D-01. 135 vectors produced by pass 2 Test12= 3.26D-14 1.00D-09 XBig12= 2.03D-02 1.08D-02. 135 vectors produced by pass 3 Test12= 3.26D-14 1.00D-09 XBig12= 5.54D-05 5.63D-04. 135 vectors produced by pass 4 Test12= 3.26D-14 1.00D-09 XBig12= 8.76D-08 2.04D-05. 79 vectors produced by pass 5 Test12= 3.26D-14 1.00D-09 XBig12= 1.02D-10 5.80D-07. 5 vectors produced by pass 6 Test12= 3.26D-14 1.00D-09 XBig12= 7.56D-14 2.18D-08. 3 vectors produced by pass 7 Test12= 3.26D-14 1.00D-09 XBig12= 2.15D-15 5.80D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 762 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 168.89 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 170.696 -0.187 170.120 -0.632 0.263 165.865 156.930 -0.258 156.663 -1.199 -0.616 155.440 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT17352.600S Thu Jul 18 15:22:26 2024 -19.13074 -19.12930 -19.12874 -19.12867 -19.12813 -19.12316 -19.12274 -19.12255 -19.11989 -19.11724 -19.11443 -19.11294 -19.11222 -19.11008 -19.11002 -1.03071 -1.02455 -1.02247 -1.01980 -1.01791 -1.01358 -1.01201 -1.00765 -1.00553 -1.00345 -0.99901 -0.99599 -0.99364 -0.98809 -0.98568 -0.54628 -0.54303 -0.54173 -0.53922 -0.53862 -0.53353 -0.53147 -0.53040 -0.52957 -0.52631 -0.52510 -0.52428 -0.52342 -0.52133 -0.51708 -0.43770 -0.43456 -0.43285 -0.42434 -0.41992 -0.41481 -0.40466 -0.40034 -0.39334 -0.39187 -0.38817 -0.38655 -0.37869 -0.37657 -0.36551 -0.33329 -0.32954 -0.32822 -0.32737 -0.32620 -0.32402 -0.32233 -0.32154 -0.32017 -0.31818 -0.31789 -0.31615 -0.31559 -0.31239 -0.31030 -0.00202 0.02648 0.02903 0.04124 0.05395 0.06043 0.06842 0.07713 0.08228 0.08668 0.10487 0.10653 0.10927 0.11015 0.11369 0.11804 0.12278 0.12838 0.13111 0.13928 0.14130 0.14928 0.15205 0.15395 0.16135 0.16329 0.16855 0.17014 0.17629 0.17985 0.18586 0.18937 0.19285 0.19825 0.19873 0.20655 0.21128 0.21171 0.21691 0.21817 0.22283 0.22803 0.23431 0.23594 0.23945 0.24452 0.24672 0.25173 0.25461 0.25888 0.26060 0.26186 0.26708 0.27125 0.27604 0.28096 0.28139 0.28335 0.28554 0.28714 0.29080 0.29418 0.29717 0.29858 0.30300 0.30540 0.30656 0.31056 0.31600 0.31949 0.32895 0.33701 0.34622 0.35150 0.36339 0.37943 0.39181 0.41476 0.42316 0.44296 0.45449 0.45534 0.46388 0.47268 0.48065 0.48957 0.50713 0.50912 0.51305 0.51670 0.52165 0.53190 0.53576 0.54279 0.55739 0.56094 0.56373 0.56841 0.57264 0.58151 0.59019 0.59779 0.60532 0.61565 0.61630 0.62458 0.62530 0.63671 0.64441 0.65201 0.65730 0.66429 0.66663 0.67745 0.68442 0.69596 0.70157 0.70819 0.72810 0.75457 0.93841 0.95325 0.96431 0.97077 0.97349 0.97893 0.98037 0.99076 0.99667 1.00173 1.00525 1.00756 1.01080 1.01958 1.02411 1.03448 1.04117 1.04664 1.05373 1.05600 1.06643 1.07086 1.07956 1.08144 1.08429 1.08895 1.09078 1.09708 1.10336 1.10754 1.11559 1.12124 1.12412 1.12887 1.13148 1.13655 1.14180 1.14723 1.14961 1.16060 1.16847 1.18495 1.19000 1.19933 1.22736 1.23848 1.24061 1.25912 1.26394 1.26524 1.28547 1.28638 1.30454 1.31103 1.31390 1.32173 1.32429 1.32728 1.33108 1.33608 1.34923 1.35612 1.36544 1.36641 1.37436 1.37867 1.39011 1.39427 1.40334 1.40873 1.41137 1.41889 1.42417 1.43453 1.44754 1.45892 1.46672 1.47076 1.47530 1.48388 1.49607 1.50559 1.51743 1.52914 1.53697 1.54585 1.55711 1.56131 1.57937 1.58868 1.59757 1.60490 1.60982 1.61892 1.62670 1.63484 1.64075 1.65170 1.65922 1.67381 1.68140 1.68766 1.69204 1.70096 1.73126 1.74005 1.74178 1.74539 1.75802 1.75883 1.76465 1.76995 1.78747 1.80613 1.80966 1.82481 1.82851 1.83793 1.86352 1.88689 2.02032 2.03392 2.03820 2.04047 2.04527 2.05115 2.05652 2.10491 2.21373 2.23812 2.24710 2.27382 2.28289 2.28839 2.29745 2.30151 2.32510 2.33915 2.34990 2.35698 2.36209 2.37692 2.39394 2.40534 2.43051 2.43831 2.45969 2.47721 2.48751 2.54802 2.55258 2.56186 2.56873 2.57266 2.57767 2.58589 2.61609 2.67788 2.69054 2.69899 2.70366 2.71824 2.71963 2.72815 2.73318 2.75198 2.76540 2.76741 2.77778 2.78108 2.79646 2.80538 2.82276 2.82672 2.84811 2.86004 2.86945 2.88619 2.90084 2.95273 3.06815 3.07492 3.08168 3.08548 3.09329 3.09443 3.09805 3.10183 3.10759 3.10995 3.11403 3.12054 3.12169 3.12746 3.12827 3.13685 3.14003 3.14396 3.14603 3.15005 3.15508 3.16584 3.17055 3.17746 3.18281 3.18793 3.19208 3.19413 3.20680 3.21742 3.28884 3.29185 3.29894 3.30585 3.31213 3.31756 3.32273 3.33296 3.34206 3.34508 3.34888 3.35688 3.36334 3.37231 3.40504 3.68552 3.69770 3.70659 3.71165 3.71312 3.72612 3.72874 3.73481 3.74052 3.74751 3.76126 3.76575 3.78250 3.79933 3.82328 3.90612 3.91201 3.91476 3.92032 3.92765 3.93300 3.93359 3.93798 3.94213 3.95228 3.95482 3.96227 3.97046 3.98633 4.00019 4.99335 5.00072 5.01940 5.02197 5.02965 5.03180 5.04255 5.04709 5.05830 5.06280 5.07097 5.09782 5.10985 5.12059 5.21550 5.35178 5.37625 5.40349 5.40946 5.41962 5.43233 5.44698 5.44919 5.46092 5.46630 5.47721 5.48438 5.52343 5.53662 5.55282 5.65411 5.65903 5.66359 5.66448 5.66986 5.67840 5.68080 5.69010 5.71893 5.73962 5.74944 5.76239 5.77264 5.77769 5.78670 49.88465 49.88987 49.89185 49.90188 49.91481 49.91729 49.92111 49.92384 49.93588 49.94430 49.94936 49.95307 49.97796 49.98041 49.99121 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 -0.928096 0.291603 0.396531 -0.757912 0.348538 -0.794307 0.391714 0.399005 0.396474 -0.672737 0.387412 -0.796114 0.388631 -0.737977 0.418181 0.314042 -0.813871 0.416042 0.404796 -0.788150 0.425921 0.338726 -0.746249 0.423387 0.320699 -0.749559 0.370409 0.390368 -0.864659 0.480661 0.447431 -0.769458 0.347380 0.408569 -0.751819 0.398461 0.347237 -0.757278 0.421510 0.333819 -0.734782 0.365379 0.475642 0.371440 0.442958 -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 -0.009496 -0.010369 -0.006118 0.006278 -0.010951 -0.005754 0.006967 -0.023503 -0.002163 0.011218 0.063432 -0.013509 -0.006121 -0.001949 0.002038 -0.00000 -2.04252052e+00 -1.65756320e+00 -2.03391965e+00 1.70695562e+02 -1.86757161e-01 1.70120165e+02 -6.31673645e-01 2.63306128e-01 1.65865286e+02 -10.1373 0.0005 0.0007 0.0009 6.7458 11.8345 17.5751 32.6986 38.2241 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 17.2117 32.5621 38.1369 42.5353 47.7376 48.8481 53.7674 56.7673 63.9113 66.5683 67.5289 70.2317 72.4250 75.3918 82.3077 96.7557 111.5992 148.1350 158.5793 161.1301 167.8751 171.5393 179.7317 184.5052 185.0127 194.7244 203.5415 209.2912 212.0391 214.6971 219.8255 221.4852 227.0122 231.6736 233.0646 238.2547 238.6866 245.3481 252.9118 253.8570 259.1242 270.6530 274.3477 298.1088 304.7587 327.4621 411.1115 419.7298 424.3033 442.8635 458.3060 459.1349 482.4002 490.7159 505.7574 517.7442 537.8535 560.6284 567.8788 593.5640 599.0020 614.0251 620.4363 641.5416 645.4522 659.6214 663.6260 683.5610 690.6509 701.7259 723.1665 724.0809 730.6912 748.1769 755.8977 786.8258 792.0382 818.4743 830.4702 851.2872 880.2433 892.5282 899.3834 920.8305 1586.1194 1596.5056 1604.7408 1612.2833 1613.5720 1617.7976 1624.6123 1626.7460 1632.8252 1637.9419 1639.5715 1642.1757 1652.8733 1654.3536 1662.7353 3246.4538 3261.6621 3283.8217 3314.6905 3320.4262 3333.4736 3375.6128 3402.0614 3417.7704 3433.7954 3444.5947 3451.5194 3462.9447 3473.2878 3474.4654 3491.6015 3501.3242 3521.5472 3527.6803 3540.2549 3552.4153 3564.5997 3755.3066 3826.5490 3828.4175 3828.7634 3831.1304 3831.5920 3831.9047 3836.7239 4.7742 6.1174 5.8995 6.6355 6.3485 5.9618 5.6096 6.5984 6.5330 5.9318 5.9573 6.3969 6.8621 6.5617 6.6689 7.2670 6.6878 4.7578 3.4980 2.6115 2.5762 2.7210 2.5998 4.4521 5.9709 4.3359 4.2762 2.6523 2.6357 2.3083 2.8988 2.4674 5.1968 2.3760 2.4661 4.5131 2.6339 3.3319 1.5320 2.5405 4.7476 2.6775 3.2197 4.6323 5.2469 1.1713 1.0559 1.0449 1.0714 1.0621 1.0521 1.0543 1.0601 1.0659 1.0359 1.0832 1.0454 1.0333 1.0388 1.0325 1.0426 1.0411 1.0399 1.0472 1.0486 1.0491 1.0413 1.0536 1.0461 1.0663 1.0434 1.0357 1.0522 1.0548 1.0456 1.0444 1.0345 1.0403 1.0420 1.0356 1.0427 1.0296 1.0352 1.0261 1.0754 1.0740 1.0744 1.0765 1.0724 1.0746 1.0694 1.0706 1.0690 1.0682 1.0676 1.0677 1.0712 1.0691 1.0649 1.0646 1.0675 1.0636 1.0674 1.0630 1.0659 1.0707 1.0654 1.0647 1.0697 1.0610 1.0648 1.0691 1.0631 1.0617 1.0770 1.0510 1.0672 1.0747 1.0598 1.0708 1.0838 1.0669 1.0661 1.0672 1.0672 1.0665 1.0670 1.0672 1.0672 0.0008 0.0038 0.0051 0.0071 0.0085 0.0084 0.0096 0.0125 0.0157 0.0155 0.0160 0.0186 0.0212 0.0220 0.0266 0.0401 0.0491 0.0615 0.0518 0.0399 0.0428 0.0472 0.0495 0.0893 0.1204 0.0969 0.1044 0.0685 0.0698 0.0627 0.0825 0.0713 0.1578 0.0751 0.0789 0.1509 0.0884 0.1182 0.0577 0.0965 0.1878 0.1156 0.1428 0.2425 0.2871 0.0740 0.1051 0.1085 0.1136 0.1227 0.1302 0.1310 0.1454 0.1512 0.1561 0.1711 0.1782 0.1913 0.1974 0.2143 0.2204 0.2313 0.2358 0.2539 0.2574 0.2689 0.2702 0.2901 0.2940 0.3094 0.3215 0.3199 0.3310 0.3479 0.3520 0.3809 0.3824 0.4106 0.4234 0.4422 0.4760 0.4833 0.4934 0.5126 1.5940 1.6129 1.6301 1.6488 1.6450 1.6571 1.6630 1.6692 1.6793 1.6886 1.6910 1.6964 1.7242 1.7240 1.7346 6.6106 6.6909 6.7576 6.9099 6.9051 6.9784 7.1883 7.2652 7.3279 7.4314 7.4171 7.4740 7.5537 7.5565 7.5515 7.7358 7.5913 7.7976 7.8799 7.8262 7.9614 8.1136 8.8646 9.1971 9.2159 9.2178 9.2227 9.2296 9.2325 9.2561 4.9383 3.6964 6.5089 2.0260 4.2812 1.8275 3.7737 7.6773 6.9717 1.9913 4.4492 4.3261 8.7308 8.5134 0.8967 2.1349 5.9858 24.3044 9.2532 39.6029 56.1864 22.8658 53.4426 22.0379 48.0427 24.8353 8.6979 21.2069 51.5641 199.9537 44.3949 78.9683 110.8396 159.4560 12.3976 31.2766 11.8178 33.5845 148.8747 136.8545 59.3567 209.9797 177.0678 51.9358 21.0899 156.6218 54.6939 196.2033 121.6125 3.7295 97.9670 55.0077 111.5358 128.0159 71.5325 104.3862 69.9590 28.6693 172.2883 47.7371 83.5121 162.4014 37.4905 50.9941 269.9093 28.4690 1.8941 774.4165 477.0818 350.0343 263.0503 140.8134 343.6313 649.2164 344.3279 306.8327 64.0641 254.7396 205.4822 174.5486 349.7234 87.2384 44.8503 93.3205 268.9657 152.7228 139.5751 175.6153 180.0912 80.8670 101.8123 99.3024 65.0405 81.3127 97.4672 43.4785 151.9758 62.9194 72.0138 203.4484 2082.1899 2597.5643 675.9429 1519.3714 451.0314 1954.3841 1512.0047 1292.5054 2061.5440 826.5750 1078.1800 671.6729 530.6573 545.4290 1040.2741 358.5618 397.1306 1084.2980 355.1558 758.6183 1217.9114 290.4888 152.3612 99.6639 93.9205 122.6215 131.8913 167.0663 133.3899 -0.01 0.04 -0.03 0.04 0.04 0.03 -0.01 -0.05 0.04 -0.02 0.00 -0.01 -0.02 0.01 -0.00 0.01 0.03 0.03 0.01 0.01 0.04 -0.01 0.02 0.00 0.00 0.04 0.01 0.04 0.05 0.03 0.02 0.04 0.03 0.02 -0.03 0.05 0.02 -0.01 0.04 0.22 -0.18 0.27 0.11 -0.06 0.16 0.54 -0.02 0.44 -0.01 0.04 0.02 -0.01 -0.02 -0.06 0.05 -0.02 0.09 0.03 0.09 -0.04 0.03 0.08 -0.01 0.07 0.11 -0.06 -0.03 -0.07 -0.15 -0.01 -0.02 -0.11 -0.00 -0.09 -0.20 -0.06 0.00 -0.08 -0.05 0.01 -0.06 -0.06 0.02 -0.08 -0.02 0.05 -0.03 -0.02 0.05 -0.03 -0.00 0.07 -0.03 -0.08 -0.05 -0.06 -0.12 -0.06 -0.07 -0.07 -0.03 -0.07 0.02 0.02 0.02 0.01 0.03 0.01 0.01 0.01 0.03 -0.06 0.06 -0.04 -0.06 0.06 -0.03 -0.13 0.06 -0.03 -0.05 -0.07 0.01 -0.04 -0.04 0.00 -0.02 0.05 -0.01 -0.06 -0.06 -0.01 -0.02 0.02 -0.04 -0.11 0.03 0.11 0.05 0.00 0.06 0.12 -0.00 -0.10 -0.04 -0.07 -0.08 -0.11 -0.11 -0.15 -0.03 -0.06 -0.03 0.01 -0.05 -0.05 -0.05 -0.07 -0.06 -0.04 -0.03 0.02 0.08 0.02 0.08 0.09 0.00 0.07 0.07 -0.02 -0.08 0.09 -0.05 -0.03 -0.04 -0.12 -0.10 -0.03 -0.06 -0.07 0.01 -0.11 -0.09 -0.07 -0.11 -0.10 -0.07 -0.12 -0.13 -0.05 -0.12 -0.10 0.02 0.11 0.04 0.04 0.08 0.07 0.09 0.11 0.01 -0.09 -0.14 -0.15 -0.05 -0.05 -0.08 -0.05 -0.16 -0.23 -0.07 0.05 0.14 -0.04 0.00 0.07 -0.06 0.05 0.12 -0.06 0.05 0.11 -0.07 0.05 0.10 -0.04 0.07 0.09 0.06 0.20 0.08 0.12 0.23 0.11 0.00 0.16 0.10 0.11 -0.02 0.06 0.02 0.01 0.08 0.19 0.02 0.07 -0.02 0.06 0.03 -0.03 0.06 0.06 0.05 0.09 0.02 0.16 0.01 -0.11 0.09 -0.02 -0.11 -0.09 -0.03 0.05 0.14 0.07 -0.06 -0.07 0.06 0.11 -0.00 0.05 -0.03 -0.02 -0.01 -0.11 -0.03 0.00 -0.03 0.07 -0.11 0.14 0.08 -0.14 0.15 0.06 -0.16 -0.08 0.02 -0.09 -0.10 0.05 -0.14 0.08 0.00 -0.07 -0.09 0.02 0.03 -0.09 0.03 0.03 -0.08 -0.01 -0.01 -0.11 -0.01 0.03 -0.11 0.16 -0.05 -0.08 0.11 0.02 -0.12 0.26 -0.02 -0.07 0.06 -0.10 -0.01 0.02 -0.09 0.04 0.09 -0.07 -0.05 -0.13 0.10 0.13 -0.09 0.08 0.05 -0.20 0.10 0.16 0.00 -0.03 0.20 -0.04 0.02 0.19 -0.03 0.02 0.23 -0.07 -0.02 0.05 -0.00 -0.06 0.08 -0.04 0.04 -0.01 -0.08 0.10 -0.03 -0.05 0.07 -0.03 -0.09 0.10 0.01 -0.06 0.00 0.03 -0.14 0.01 0.04 -0.07 -0.00 0.04 0.00 0.05 -0.08 -0.00 0.06 -0.06 0.02 0.07 -0.09 0.05 0.12 -0.16 0.01 0.12 -0.11 0.08 0.15 -0.17 -0.05 0.01 0.12 0.01 -0.03 0.13 0.01 0.02 -0.02 -0.06 0.01 0.10 0.01 0.06 -0.03 -0.01 -0.06 0.17 0.14 0.03 -0.14 -0.08 0.02 0.02 -0.09 0.05 -0.04 -0.07 0.06 -0.01 -0.07 0.08 0.02 -0.02 0.06 0.01 -0.07 0.06 -0.03 -0.04 0.04 0.08 0.15 0.10 -0.18 0.07 0.07 -0.18 -0.05 0.04 0.04 -0.09 0.02 -0.03 -0.05 -0.14 -0.04 -0.05 -0.07 -0.03 0.01 -0.13 -0.05 0.01 -0.16 0.00 0.10 -0.12 -0.00 -0.01 -0.15 -0.02 0.12 0.07 -0.05 0.13 0.09 -0.14 0.13 -0.04 -0.09 0.28 -0.01 0.06 0.24 0.01 0.03 0.23 0.12 0.12 -0.04 0.01 -0.01 -0.06 0.02 -0.01 -0.05 0.02 0.01 0.01 0.02 0.16 -0.01 0.01 0.16 0.03 0.05 0.14 0.01 -0.08 0.03 0.06 -0.09 0.01 -0.01 -0.05 0.01 -0.12 0.01 -0.16 -0.08 0.00 -0.06 -0.11 0.07 -0.18 -0.05 0.05 0.04 -0.04 0.04 0.10 -0.03 0.11 0.03 -0.09 0.02 -0.03 -0.11 0.03 -0.03 0.00 -0.12 0.11 -0.06 -0.01 -0.01 0.01 -0.06 0.11 -0.06 0.04 0.27 -0.01 -0.08 -0.10 0.01 -0.03 -0.03 0.11 0.03 -0.05 0.13 0.09 -0.03 -0.02 -0.05 -0.01 0.03 -0.02 -0.04 0.06 0.00 -0.04 0.00 -0.06 0.08 0.00 -0.05 -0.10 0.02 -0.02 -0.09 0.06 -0.02 -0.04 0.05 0.02 -0.07 0.06 0.10 -0.03 0.08 0.08 0.00 -0.00 0.07 -0.05 -0.09 0.05 0.01 -0.10 0.04 0.00 -0.02 0.06 0.00 -0.04 -0.06 0.04 -0.04 -0.05 -0.01 0.02 -0.18 -0.02 -0.18 -0.01 -0.05 -0.14 -0.02 -0.02 -0.14 -0.08 -0.10 0.15 -0.03 -0.13 0.15 -0.01 -0.10 0.14 -0.00 -0.12 0.01 0.02 0.25 -0.02 0.05 0.25 -0.00 -0.01 0.20 -0.10 -0.09 -0.13 -0.00 -0.11 -0.15 -0.02 -0.05 -0.14 0.06 0.06 -0.06 0.03 0.08 0.06 0.12 0.15 -0.08 0.11 0.07 0.04 0.10 0.06 0.14 0.07 0.16 0.02 -0.08 -0.06 -0.00 -0.01 -0.04 -0.00 -0.08 0.05 0.18 -0.11 -0.06 -0.06 -0.09 -0.03 0.13 -0.17 -0.07 -0.03 0.07 -0.08 -0.00 0.01 -0.01 0.03 0.21 0.02 0.02 0.12 0.02 -0.07 0.00 -0.14 0.04 -0.03 -0.11 0.04 0.12 -0.03 0.03 -0.01 -0.12 0.01 0.08 -0.04 -0.02 0.03 -0.06 -0.02 -0.07 -0.04 0.02 -0.08 -0.10 0.03 -0.01 -0.06 0.09 -0.01 -0.04 0.09 0.06 -0.00 0.16 -0.20 -0.02 0.03 -0.11 0.02 0.02 -0.17 -0.00 0.02 0.00 0.07 -0.02 0.04 0.04 -0.03 -0.03 0.11 0.00 0.08 0.14 0.08 0.06 0.12 0.05 0.02 0.28 0.13 0.08 0.08 -0.11 0.10 0.07 -0.11 0.08 0.08 -0.10 -0.09 -0.02 -0.02 -0.14 -0.03 -0.02 -0.06 0.01 -0.05 0.04 0.14 -0.14 0.10 0.14 -0.14 0.06 0.14 -0.13 -0.09 -0.10 -0.01 -0.13 -0.09 -0.03 -0.11 -0.09 -0.02 -0.02 -0.04 0.04 -0.06 -0.03 0.01 -0.08 -0.07 0.05 0.15 0.05 0.03 0.23 0.06 0.03 -0.16 -0.08 0.01 0.11 0.06 -0.04 -0.13 -0.04 -0.06 -0.10 -0.00 0.01 -0.00 0.00 0.04 -0.02 -0.06 -0.05 -0.13 0.00 -0.12 -0.10 0.03 -0.09 -0.07 0.07 -0.03 -0.03 0.02 -0.02 -0.10 0.02 -0.10 -0.04 0.03 -0.01 -0.01 -0.01 0.04 -0.01 -0.01 0.04 -0.02 -0.04 -0.01 -0.01 -0.05 0.00 0.22 -0.03 -0.02 0.20 -0.02 -0.04 0.33 0.07 0.12 -0.12 0.03 -0.09 -0.08 0.06 -0.07 -0.04 0.07 -0.13 0.03 -0.05 0.01 0.02 -0.04 0.02 0.01 -0.02 0.03 0.04 0.22 0.11 0.04 0.14 0.07 -0.01 0.36 0.18 0.06 -0.04 0.14 0.04 -0.05 0.11 0.08 -0.09 0.10 0.02 -0.05 0.00 -0.01 -0.05 0.00 0.02 -0.06 -0.02 -0.08 0.04 0.09 -0.04 0.06 0.12 -0.04 0.01 0.11 -0.01 -0.03 0.04 -0.04 -0.02 0.03 0.01 -0.03 0.05 0.19 -0.05 -0.07 0.15 -0.05 -0.06 0.22 -0.05 -0.07 -0.05 -0.07 -0.12 -0.12 -0.07 -0.12 -0.11 0.01 -0.01 -0.04 -0.03 -0.06 -0.11 -0.00 0.05 -0.06 0.06 -0.04 -0.03 -0.08 -0.18 0.13 -0.15 0.16 -0.02 0.07 -0.03 -0.07 0.05 -0.08 0.02 0.14 0.15 0.06 0.04 0.17 0.01 0.10 0.02 0.04 0.09 0.12 -0.04 -0.07 -0.19 -0.02 -0.02 -0.18 0.16 -0.12 0.21 0.13 -0.13 0.14 0.00 -0.00 -0.01 -0.02 0.02 -0.04 0.04 -0.01 -0.03 -0.02 -0.05 0.04 -0.05 -0.05 0.06 -0.01 -0.03 0.02 -0.09 -0.12 0.01 -0.08 -0.10 -0.07 -0.15 -0.16 0.02 -0.05 -0.04 0.09 -0.06 -0.07 0.07 -0.06 -0.03 0.11 -0.08 0.13 0.03 -0.08 0.12 0.01 -0.06 0.09 -0.01 0.05 -0.00 -0.03 0.01 -0.01 -0.03 0.02 -0.05 -0.04 -0.03 0.11 0.03 -0.10 0.10 0.02 -0.07 0.12 0.02 0.05 0.05 -0.16 -0.00 0.06 -0.14 -0.02 0.10 -0.22 -0.05 0.03 -0.08 -0.02 0.02 -0.06 -0.04 0.04 -0.08 0.18 -0.18 0.01 0.09 -0.10 -0.01 -0.05 0.04 -0.02 0.14 -0.12 0.01 -0.04 0.08 -0.01 0.06 -0.15 -0.09 0.02 0.04 -0.10 -0.02 -0.14 -0.01 -0.02 0.11 0.00 -0.00 0.12 0.02 -0.10 0.07 -0.06 -0.07 -0.01 -0.04 -0.05 0.08 -0.03 -0.10 0.06 -0.07 0.07 0.09 -0.07 0.04 0.01 -0.09 -0.03 -0.15 -0.03 -0.04 -0.16 -0.04 0.00 0.08 0.02 0.05 0.05 0.08 -0.10 0.04 -0.02 -0.00 0.05 0.03 -0.01 0.04 0.02 -0.02 0.04 0.05 -0.08 0.20 0.05 -0.03 0.16 0.01 -0.08 0.19 0.04 -0.12 -0.04 -0.06 -0.10 0.05 -0.01 -0.06 -0.13 -0.13 0.13 0.03 0.09 0.10 0.05 0.09 0.11 0.04 0.12 -0.12 0.10 -0.06 -0.06 0.03 -0.06 -0.12 0.12 0.01 0.07 -0.13 0.13 0.04 -0.15 0.11 0.11 -0.10 0.12 -0.05 -0.13 -0.14 -0.00 -0.14 -0.13 -0.03 -0.15 -0.12 0.12 0.02 0.15 0.02 0.03 0.04 0.13 -0.08 0.17 0.06 -0.12 0.03 -0.02 -0.07 0.02 0.04 -0.09 -0.04 0.09 -0.13 0.07 0.04 -0.15 -0.03 0.07 -0.09 0.10 -0.08 -0.01 0.01 -0.04 -0.01 0.05 -0.03 -0.13 -0.03 -0.11 -0.15 -0.11 0.02 -0.11 0.07 -0.01 -0.06 0.06 -0.04 -0.11 0.02 -0.01 -0.05 0.07 -0.11 -0.04 -0.01 -0.14 -0.07 -0.01 -0.09 -0.01 0.10 -0.11 -0.07 0.07 0.12 0.16 0.01 0.07 0.16 -0.06 0.15 0.15 -0.02 0.02 0.09 0.06 0.06 0.09 0.04 0.06 0.10 0.05 -0.06 -0.01 -0.15 -0.07 -0.00 -0.13 0.03 -0.08 -0.21 0.03 0.03 -0.08 -0.02 0.01 -0.12 0.02 -0.03 -0.03 -0.11 -0.03 0.02 -0.06 -0.07 0.01 -0.09 0.01 0.00 -0.04 0.06 0.10 -0.04 0.02 0.09 -0.05 0.04 0.09 0.19 -0.01 0.05 0.27 -0.01 0.05 0.08 -0.02 0.04 -0.15 -0.06 -0.01 -0.06 -0.08 0.03 -0.17 -0.05 -0.02 0.00 0.13 -0.15 0.01 0.13 -0.06 0.02 0.20 -0.16 0.11 0.03 -0.07 0.09 0.01 -0.07 0.06 -0.07 0.12 0.15 0.00 -0.04 0.08 -0.09 0.10 -0.05 -0.18 -0.02 -0.02 0.10 -0.06 0.05 0.11 -0.07 0.03 -0.03 -0.00 0.09 -0.06 0.06 0.21 0.07 -0.09 0.18 0.13 -0.11 0.11 0.01 -0.03 0.20 0.10 -0.07 -0.03 0.01 -0.00 0.01 -0.08 -0.04 0.06 0.13 -0.03 0.01 0.05 -0.11 -0.03 -0.07 0.05 -0.05 0.04 0.05 0.17 0.03 0.17 -0.13 0.01 -0.04 -0.13 0.02 -0.02 -0.14 0.00 -0.03 0.01 -0.09 0.09 -0.02 -0.04 0.05 0.00 -0.15 0.07 -0.13 0.06 0.04 -0.09 0.02 0.06 -0.12 0.08 0.00 -0.07 0.04 0.02 -0.06 0.02 0.01 -0.08 0.07 0.03 0.21 0.09 0.01 0.16 -0.01 0.00 0.17 0.04 0.04 0.05 -0.06 0.07 0.16 -0.07 0.05 0.02 -0.03 0.06 0.01 -0.18 -0.11 0.01 -0.18 -0.09 0.03 -0.17 -0.11 -0.09 0.12 0.04 0.02 0.11 0.03 -0.09 0.11 0.04 -0.06 0.08 -0.03 -0.04 0.03 -0.01 -0.07 -0.13 -0.05 -0.04 0.07 -0.00 -0.07 -0.18 0.04 -0.12 0.03 -0.10 0.06 0.07 0.01 -0.05 0.01 0.02 -0.03 -0.13 -0.13 0.01 -0.08 -0.09 0.15 -0.00 0.02 0.09 0.02 0.03 0.03 -0.07 -0.06 0.11 0.04 -0.02 0.06 0.07 -0.00 0.03 0.06 -0.00 -0.04 0.04 0.10 -0.07 -0.00 0.06 0.02 0.16 0.01 0.06 0.11 0.05 -0.19 -0.01 -0.21 -0.08 -0.09 0.24 -0.06 -0.10 0.21 -0.02 -0.07 0.22 0.04 0.04 0.06 0.04 0.05 0.04 -0.04 0.09 0.11 0.03 -0.19 -0.00 0.06 -0.13 0.05 0.07 -0.23 -0.07 0.06 -0.13 0.04 0.06 -0.15 0.01 0.05 -0.11 0.05 0.09 0.06 -0.08 0.01 0.04 -0.08 0.08 0.05 -0.10 -0.10 0.09 -0.07 -0.10 0.15 -0.01 -0.04 0.03 -0.03 -0.10 0.02 -0.02 -0.12 0.02 -0.05 -0.14 0.00 -0.02 0.10 0.02 0.06 0.11 0.03 -0.00 0.08 -0.03 0.07 -0.07 0.00 -0.13 -0.06 -0.03 -0.12 -0.10 0.01 -0.00 -0.08 0.03 -0.11 -0.09 0.06 -0.10 0.07 0.06 -0.02 -0.09 0.06 -0.02 0.00 0.01 0.10 -0.03 -0.13 -0.06 -0.03 -0.07 -0.07 0.10 -0.04 0.12 0.05 -0.00 0.12 -0.01 -0.09 0.03 0.05 0.05 0.07 -0.10 0.04 -0.03 -0.10 0.05 -0.03 0.02 0.03 0.17 0.00 0.02 0.13 -0.07 -0.19 -0.03 -0.02 -0.11 0.06 0.04 -0.08 0.13 0.08 0.01 -0.22 0.03 0.01 -0.17 -0.00 -0.01 -0.19 -0.13 0.07 -0.01 -0.12 0.06 -0.02 -0.15 0.08 0.00 -0.06 0.11 0.06 -0.10 0.11 0.03 -0.09 0.15 0.12 0.09 -0.20 -0.02 0.08 -0.19 -0.02 0.05 -0.12 0.07 -0.03 0.11 -0.01 0.00 0.14 -0.01 -0.05 0.08 -0.01 0.05 -0.00 -0.09 0.04 0.04 -0.05 0.08 -0.06 -0.06 -0.06 0.09 -0.03 -0.02 0.08 -0.03 -0.13 0.09 -0.06 0.04 0.03 0.23 0.01 0.03 0.17 0.05 -0.02 0.24 0.04 -0.01 -0.07 0.03 -0.02 -0.07 0.07 0.02 -0.10 0.04 -0.01 -0.07 0.07 0.04 -0.08 0.06 -0.01 -0.01 0.21 -0.11 -0.07 -0.03 0.10 0.07 -0.06 -0.03 -0.01 -0.09 -0.03 -0.04 -0.07 -0.02 0.12 -0.06 -0.03 0.12 -0.06 -0.02 0.02 -0.04 -0.08 0.11 0.26 0.02 -0.12 0.19 0.06 -0.09 -0.05 0.10 0.09 -0.06 0.07 0.07 0.04 0.01 0.01 0.01 -0.05 -0.04 0.05 0.05 0.07 0.03 0.08 -0.07 -0.05 0.05 -0.04 0.03 0.08 -0.06 0.10 0.02 0.26 0.15 -0.00 0.14 0.07 -0.05 0.25 -0.24 0.02 -0.00 -0.11 0.05 0.11 -0.13 -0.09 -0.18 -0.04 -0.05 -0.02 -0.05 -0.05 -0.03 -0.03 -0.09 -0.05 -0.02 -0.14 -0.01 0.04 -0.15 -0.01 0.01 -0.07 0.06 0.10 0.01 -0.02 0.17 0.03 -0.01 0.04 -0.00 -0.02 -0.09 0.03 -0.04 -0.04 0.02 -0.05 -0.18 0.03 -0.07 -0.02 -0.13 -0.13 -0.03 -0.13 -0.11 -0.02 -0.11 -0.14 0.00 0.12 -0.03 0.01 0.10 -0.03 0.05 0.01 -0.02 0.03 0.08 -0.03 0.05 -0.02 0.01 -0.06 -0.09 -0.03 -0.04 0.01 -0.06 0.23 0.21 -0.00 -0.15 -0.00 0.12 -0.15 0.02 0.13 -0.11 0.03 0.13 -0.03 0.07 0.09 -0.16 -0.01 0.14 -0.10 0.05 0.18 -0.02 -0.02 -0.00 0.03 -0.08 -0.03 0.24 0.22 0.01 0.21 0.16 -0.03 0.04 0.04 -0.01 0.05 0.01 -0.01 -0.02 0.01 -0.06 -0.10 -0.03 0.07 -0.04 -0.01 0.04 -0.05 -0.01 0.05 -0.07 0.07 -0.09 -0.04 0.04 -0.06 -0.06 0.12 -0.08 0.05 -0.00 -0.02 0.01 0.01 -0.04 0.02 0.03 0.03 0.02 -0.18 -0.03 -0.01 -0.13 0.02 0.01 -0.14 -0.01 -0.12 -0.00 -0.01 -0.16 -0.03 -0.01 -0.11 0.01 -0.03 0.02 -0.00 -0.08 0.03 0.03 -0.04 0.03 -0.05 -0.05 0.22 -0.13 -0.08 0.14 -0.11 -0.09 0.16 -0.10 -0.11 0.05 -0.03 -0.04 0.01 -0.03 -0.04 0.04 -0.04 -0.03 -0.01 0.12 0.06 -0.02 0.11 0.06 -0.06 -0.07 0.03 -0.02 0.14 0.06 -0.05 -0.10 -0.07 -0.04 0.02 0.05 -0.07 0.24 0.02 -0.01 -0.10 -0.02 -0.16 0.00 0.21 -0.16 -0.08 0.22 -0.02 0.13 -0.14 -0.02 0.08 -0.13 -0.12 -0.00 0.12 -0.01 0.11 -0.13 -0.08 0.20 0.04 -0.07 0.16 0.02 -0.08 -0.15 -0.09 -0.07 -0.15 -0.07 0.02 0.01 0.00 0.01 0.02 -0.00 0.04 0.02 0.01 -0.05 -0.00 0.01 -0.04 -0.00 0.00 -0.03 0.00 -0.00 0.10 -0.08 0.06 0.03 0.00 0.05 0.09 -0.14 0.05 -0.02 0.01 -0.01 0.03 -0.02 0.02 -0.00 0.02 -0.05 -0.01 -0.23 -0.07 -0.05 -0.16 -0.00 -0.03 -0.18 -0.03 0.12 -0.00 0.04 0.09 0.00 0.04 0.10 -0.01 0.03 0.07 0.09 -0.15 0.00 0.14 -0.11 0.03 0.01 -0.11 -0.07 0.03 -0.05 -0.07 0.04 -0.02 0.08 0.02 0.00 0.00 0.01 -0.00 0.06 0.00 0.03 -0.02 0.05 -0.01 0.24 -0.04 0.13 0.15 0.03 0.11 -0.03 -0.01 0.02 0.20 -0.01 0.10 -0.01 0.02 -0.02 0.00 -0.02 0.04 -0.22 0.47 0.04 0.05 0.01 -0.00 0.13 -0.04 -0.06 0.06 -0.01 -0.13 0.02 -0.14 0.06 -0.02 -0.02 0.02 0.07 -0.05 0.01 -0.03 -0.03 0.07 -0.22 0.39 0.10 -0.17 0.27 0.06 0.10 0.04 0.04 0.06 0.02 -0.03 -0.01 -0.00 0.01 -0.02 -0.08 -0.02 -0.07 -0.02 0.00 -0.02 0.01 0.00 -0.01 0.01 -0.01 -0.00 0.01 0.01 0.08 -0.00 0.05 -0.03 0.10 0.07 0.06 -0.05 0.04 0.01 0.01 -0.03 0.04 0.00 -0.01 0.03 0.01 -0.06 0.01 0.09 0.02 0.04 0.05 -0.01 0.04 0.03 -0.03 -0.07 -0.11 0.01 -0.04 -0.12 0.00 -0.02 -0.04 0.04 -0.02 -0.04 0.06 0.03 -0.07 0.03 -0.01 -0.00 0.04 0.01 0.02 -0.18 0.02 0.02 -0.15 0.11 0.00 -0.14 -0.01 -0.14 -0.09 -0.05 -0.15 -0.07 -0.01 -0.14 -0.09 -0.01 -0.05 -0.03 0.03 -0.07 -0.02 -0.01 0.00 0.04 -0.02 -0.05 -0.04 -0.01 -0.02 0.06 0.01 -0.02 -0.10 -0.02 0.01 0.02 0.01 0.02 0.00 -0.08 -0.02 -0.01 -0.34 -0.16 -0.25 -0.10 -0.12 0.06 -0.08 -0.08 0.03 -0.14 -0.04 0.04 -0.12 -0.09 0.08 -0.01 -0.01 0.05 -0.00 -0.07 0.03 -0.01 0.01 -0.00 -0.03 -0.04 -0.03 0.06 0.07 -0.01 0.09 0.10 0.03 0.07 0.09 0.02 0.15 0.04 -0.10 0.09 0.03 -0.07 0.11 0.03 -0.09 0.11 -0.12 0.07 0.06 -0.06 0.06 0.13 -0.20 0.04 0.04 -0.03 -0.00 0.07 -0.04 0.01 0.06 -0.07 -0.03 -0.03 0.11 0.00 -0.03 0.12 -0.00 -0.04 0.12 0.03 -0.00 0.01 0.05 0.00 -0.00 0.06 -0.01 0.01 0.05 -0.12 0.10 -0.11 -0.23 0.09 -0.11 -0.07 0.10 -0.11 -0.01 -0.15 -0.10 0.00 -0.16 -0.12 -0.03 -0.17 -0.10 0.03 0.13 0.15 0.02 0.14 0.13 0.02 0.10 0.16 -0.02 0.00 0.05 0.04 0.00 0.06 -0.00 -0.01 -0.10 -0.07 0.03 -0.00 0.02 -0.02 -0.10 0.01 -0.02 -0.09 0.03 0.02 -0.01 -0.02 0.00 0.03 -0.07 -0.04 -0.04 -0.45 -0.27 -0.39 -0.04 -0.08 0.04 -0.04 -0.06 0.04 -0.11 -0.04 0.01 -0.06 -0.04 0.02 0.03 0.08 -0.05 0.01 0.16 -0.03 0.00 -0.01 -0.02 0.03 0.06 0.02 0.02 -0.04 -0.05 0.03 0.03 -0.01 0.05 -0.05 -0.07 -0.12 -0.07 0.08 -0.10 -0.06 0.08 -0.09 -0.05 0.05 0.06 -0.09 -0.05 0.01 -0.04 -0.07 0.13 -0.21 -0.11 -0.07 0.04 0.02 -0.05 -0.02 0.01 -0.08 0.09 0.03 0.03 0.08 -0.03 0.00 0.12 -0.01 0.01 0.09 0.01 -0.01 0.03 -0.06 -0.01 0.01 -0.06 -0.02 0.03 -0.05 0.10 -0.10 0.02 0.19 -0.12 -0.01 0.09 -0.06 -0.00 0.05 0.13 0.10 0.04 0.14 0.06 0.14 0.07 0.16 0.03 0.08 0.05 0.01 0.09 0.02 0.04 0.04 0.06 -0.02 0.01 0.09 0.08 0.00 0.10 0.03 -0.01 -0.02 -0.01 -0.04 0.03 0.00 -0.01 -0.05 -0.00 0.00 0.08 -0.00 0.01 -0.01 -0.04 -0.06 0.04 -0.06 -0.06 -0.06 -0.48 -0.40 -0.44 0.09 0.07 -0.02 0.08 0.03 -0.00 -0.03 -0.04 -0.03 0.09 0.07 -0.04 -0.01 -0.02 0.01 -0.00 -0.04 -0.00 -0.02 -0.06 0.01 -0.04 -0.04 -0.03 -0.00 0.00 0.02 -0.00 -0.06 0.01 -0.08 -0.02 -0.00 0.03 0.02 -0.01 0.03 0.01 -0.02 0.03 0.01 -0.00 -0.07 0.08 -0.01 -0.03 0.04 0.00 -0.11 0.16 0.03 0.01 -0.01 -0.00 -0.01 0.03 -0.01 0.01 -0.02 0.01 0.03 0.07 0.00 -0.02 0.12 -0.01 0.03 -0.01 -0.01 0.03 -0.01 0.01 0.02 -0.00 0.00 0.03 -0.02 0.00 0.04 0.06 -0.06 0.28 0.08 -0.04 0.03 0.05 -0.07 0.02 -0.04 -0.03 0.01 -0.04 0.01 0.12 -0.03 -0.00 0.02 -0.10 -0.03 0.01 -0.11 -0.03 0.02 -0.10 -0.03 -0.09 0.02 0.14 0.09 0.00 0.16 -0.00 -0.00 0.04 -0.15 -0.00 0.01 -0.00 -0.00 0.06 -0.00 0.00 0.02 -0.01 -0.03 0.02 0.08 0.14 -0.01 -0.07 -0.01 -0.00 -0.30 -0.22 -0.22 0.02 -0.02 -0.05 0.02 0.02 -0.07 -0.06 -0.01 -0.00 0.02 -0.00 -0.03 -0.02 -0.08 0.04 -0.01 -0.11 0.04 0.06 0.11 -0.04 0.09 0.12 0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.02 -0.00 0.00 -0.04 0.01 -0.00 -0.01 0.02 -0.02 -0.03 0.01 0.00 -0.00 0.04 0.06 0.03 0.01 0.07 -0.07 0.13 0.11 0.04 -0.01 -0.03 0.06 0.02 -0.01 0.05 0.00 -0.05 0.04 0.06 -0.02 0.00 0.11 0.00 0.04 0.02 -0.02 0.02 0.00 0.00 0.02 0.00 0.00 0.02 -0.00 -0.00 -0.07 -0.10 0.03 -0.30 -0.17 -0.04 -0.03 -0.04 -0.00 -0.09 0.06 -0.01 -0.06 0.05 -0.01 -0.57 0.17 -0.22 0.01 -0.03 -0.01 0.01 -0.03 -0.01 0.00 -0.03 -0.01 0.15 -0.03 0.02 0.10 -0.02 0.02 -0.00 0.01 0.01 0.16 -0.02 0.05 -0.01 -0.01 0.00 0.03 -0.00 0.03 0.06 0.04 -0.02 -0.01 0.12 0.00 -0.04 -0.01 0.01 -0.09 -0.07 -0.04 0.06 -0.01 0.01 0.03 0.03 0.00 -0.02 0.01 0.01 0.05 0.01 0.00 0.06 0.08 -0.05 0.03 0.09 -0.05 -0.10 0.08 0.01 -0.15 -0.03 -0.04 -0.00 -0.01 0.01 0.00 -0.05 0.01 -0.09 -0.07 -0.06 0.06 -0.02 0.03 0.02 -0.04 0.05 0.05 -0.02 0.03 -0.04 0.02 -0.11 -0.05 0.02 -0.11 0.06 -0.06 -0.17 -0.09 0.03 0.05 -0.12 0.00 0.02 -0.10 0.01 0.09 0.01 0.04 0.01 -0.01 0.06 0.01 0.02 0.00 -0.02 0.02 -0.01 0.02 0.01 0.00 0.02 0.02 -0.01 0.01 -0.13 -0.03 -0.01 -0.49 -0.09 -0.06 -0.08 0.01 -0.03 0.02 -0.08 0.04 0.04 -0.09 0.06 0.53 -0.20 0.27 0.02 -0.05 -0.02 0.01 -0.05 -0.00 0.01 -0.04 -0.02 0.12 0.01 -0.03 0.04 0.01 -0.03 0.03 -0.01 0.02 0.15 0.03 0.03 0.03 -0.02 -0.02 -0.05 0.01 -0.01 -0.05 -0.05 -0.06 -0.05 0.05 0.02 0.00 0.00 -0.02 -0.09 -0.04 -0.11 0.00 -0.01 0.04 -0.02 -0.00 0.05 -0.01 0.00 0.01 -0.00 -0.01 0.02 -0.05 -0.01 -0.09 -0.02 0.10 -0.06 -0.10 0.02 0.01 -0.13 -0.04 -0.03 -0.02 0.04 0.02 -0.03 0.07 -0.00 0.14 0.17 0.19 -0.06 0.07 -0.08 -0.01 0.09 -0.11 -0.05 0.06 -0.08 -0.03 -0.02 0.12 -0.03 -0.01 0.07 -0.26 0.08 0.24 0.14 -0.08 -0.04 0.17 -0.03 -0.01 0.15 -0.06 -0.08 0.05 -0.03 -0.02 0.03 -0.01 0.00 0.04 -0.02 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.02 -0.00 -0.06 0.06 0.01 -0.07 0.05 0.02 -0.04 0.06 0.07 0.01 0.02 0.03 0.03 0.05 0.62 -0.10 0.26 -0.04 0.02 -0.01 -0.00 0.02 -0.01 -0.06 0.02 -0.01 0.05 0.02 0.01 0.05 0.02 0.01 -0.06 0.02 -0.04 0.07 0.01 0.01 -0.07 -0.00 0.01 0.01 0.01 -0.05 0.00 -0.02 0.03 0.02 0.05 0.02 0.11 -0.02 -0.13 -0.17 -0.12 -0.41 -0.12 0.04 -0.02 -0.06 0.01 -0.03 0.03 -0.06 -0.08 -0.09 -0.01 0.03 0.02 0.00 0.03 -0.00 -0.03 0.02 0.01 0.04 0.01 0.01 0.02 -0.00 -0.13 -0.10 0.01 -0.20 0.02 -0.05 0.16 0.06 0.18 0.06 0.05 0.07 0.03 0.05 0.09 -0.02 0.05 0.07 0.03 -0.03 -0.03 0.01 -0.01 -0.03 0.16 -0.14 -0.11 -0.03 0.01 0.02 -0.04 -0.02 0.00 -0.01 -0.09 0.02 0.17 -0.16 0.05 0.17 -0.14 0.08 0.19 -0.11 0.04 0.01 0.05 0.04 0.00 0.02 0.04 0.00 0.05 0.05 -0.06 0.06 0.07 -0.11 0.13 0.14 0.01 -0.02 0.13 -0.02 -0.05 -0.02 -0.01 -0.06 -0.04 -0.10 -0.06 -0.04 -0.08 0.10 -0.16 -0.00 0.08 -0.05 -0.04 0.22 -0.19 0.01 -0.01 0.12 0.13 -0.02 0.14 0.01 0.02 -0.02 -0.04 0.01 0.05 0.02 0.02 -0.02 -0.04 -0.03 0.00 0.01 -0.01 -0.00 0.04 0.12 0.03 0.24 -0.08 -0.12 0.01 -0.24 -0.33 -0.11 0.20 -0.11 -0.03 0.10 -0.10 0.22 -0.13 -0.14 -0.02 0.06 -0.06 0.03 0.05 -0.03 -0.01 0.07 -0.02 0.04 0.12 0.04 0.02 0.08 0.01 0.13 0.13 0.01 0.17 0.06 0.03 -0.05 0.04 -0.09 0.01 -0.06 -0.10 -0.01 -0.07 -0.08 0.06 -0.05 -0.12 -0.01 -0.01 -0.02 -0.02 -0.01 -0.03 0.01 -0.04 -0.04 -0.00 -0.03 0.03 -0.03 -0.02 0.01 -0.04 0.07 0.07 -0.22 -0.08 0.02 -0.15 -0.16 -0.01 -0.22 -0.02 0.03 -0.07 -0.06 -0.01 -0.05 -0.03 -0.01 -0.06 -0.04 -0.01 -0.01 -0.05 -0.01 0.07 -0.04 0.00 -0.08 -0.06 -0.01 -0.04 0.01 0.07 -0.03 0.01 0.04 0.01 -0.04 0.11 -0.00 -0.02 0.14 -0.04 -0.01 0.07 -0.05 -0.11 0.16 0.07 -0.04 0.12 0.23 -0.02 0.13 -0.05 -0.04 -0.03 0.01 -0.05 -0.01 -0.05 -0.03 0.01 -0.13 0.00 0.00 0.06 0.06 0.01 0.05 -0.02 -0.03 -0.07 0.04 0.03 -0.09 0.02 0.01 0.04 -0.07 0.01 0.03 -0.02 -0.01 -0.07 0.05 0.03 0.01 -0.01 0.01 0.08 0.08 0.02 0.05 0.02 0.00 0.06 -0.01 -0.03 0.09 0.02 0.01 0.03 0.18 0.09 0.00 0.13 0.02 0.11 0.26 0.22 0.07 -0.08 -0.17 -0.01 -0.08 -0.10 0.07 -0.06 -0.20 -0.04 -0.01 -0.11 -0.06 -0.00 -0.10 0.08 -0.08 -0.18 -0.03 -0.10 0.11 -0.12 -0.09 0.05 -0.11 0.03 0.23 0.14 -0.02 -0.05 0.08 0.05 -0.02 0.13 -0.05 -0.02 0.03 -0.00 -0.00 -0.01 -0.00 -0.00 0.03 -0.01 -0.02 0.02 -0.00 0.09 0.27 0.01 0.10 0.06 -0.01 0.10 -0.02 0.01 0.05 -0.08 0.02 0.01 -0.30 0.06 -0.07 -0.14 -0.02 -0.01 -0.06 -0.03 -0.01 -0.28 -0.01 -0.00 -0.01 -0.01 -0.01 -0.04 -0.01 -0.02 -0.14 -0.03 -0.09 -0.02 0.01 0.01 -0.14 0.02 0.05 -0.02 0.07 0.04 0.00 -0.00 0.07 -0.06 -0.03 -0.03 0.03 0.03 -0.08 -0.10 0.03 -0.21 0.07 0.06 0.17 0.03 0.01 0.22 0.03 0.06 0.04 0.06 0.06 0.08 -0.04 -0.09 0.08 -0.01 -0.12 0.08 -0.13 -0.09 -0.13 -0.08 -0.04 -0.04 0.08 0.04 0.02 0.10 -0.01 0.02 -0.23 -0.24 -0.36 0.02 -0.10 0.00 -0.02 -0.14 -0.01 0.07 -0.13 0.02 0.08 0.02 0.02 0.11 -0.01 0.06 0.15 0.04 -0.01 -0.05 0.07 -0.02 -0.02 0.05 -0.00 -0.08 0.21 -0.02 -0.00 -0.08 -0.05 -0.01 -0.06 -0.02 -0.01 -0.04 -0.01 -0.04 -0.00 -0.05 -0.03 0.02 -0.06 -0.02 0.03 -0.05 -0.02 -0.06 0.10 -0.21 -0.07 0.08 -0.02 -0.05 0.11 0.08 0.00 -0.14 0.01 0.02 -0.08 -0.02 0.12 -0.23 -0.07 0.02 0.03 -0.06 0.03 0.01 -0.17 -0.00 0.05 0.04 0.11 0.02 0.07 0.05 0.04 -0.01 0.04 0.02 0.09 0.07 0.05 -0.01 0.08 0.03 -0.02 0.04 0.03 -0.02 -0.03 -0.01 -0.02 0.06 0.09 -0.06 -0.01 -0.01 0.13 0.08 0.16 -0.03 -0.06 -0.15 -0.03 -0.03 -0.17 -0.04 -0.01 -0.07 -0.04 -0.04 -0.12 -0.03 -0.06 0.00 0.00 -0.03 0.01 0.00 0.08 0.15 -0.08 -0.01 0.01 0.04 0.02 0.05 0.06 -0.07 0.06 -0.37 -0.34 -0.43 0.03 -0.06 -0.01 -0.01 -0.11 -0.05 0.05 -0.11 0.05 0.05 -0.00 0.04 0.06 -0.01 0.05 0.08 -0.02 0.03 -0.01 0.06 -0.04 0.01 0.05 -0.02 -0.05 0.23 -0.04 0.07 0.01 -0.04 0.06 0.02 -0.04 0.07 0.01 -0.03 -0.03 0.03 -0.04 -0.01 0.04 -0.04 -0.03 0.05 -0.02 0.04 0.03 0.04 0.11 0.03 0.04 0.05 0.03 0.04 -0.00 -0.01 -0.03 -0.01 -0.01 0.02 0.35 -0.05 0.10 -0.05 0.02 -0.01 -0.05 0.02 -0.02 -0.14 0.02 -0.01 -0.01 -0.06 0.04 -0.09 -0.02 0.03 -0.01 0.02 0.00 -0.02 -0.04 0.06 -0.01 0.05 0.03 0.01 -0.07 -0.11 -0.06 -0.05 -0.03 0.03 -0.00 -0.04 0.02 0.02 -0.02 0.00 0.07 -0.04 -0.05 -0.04 0.07 -0.01 -0.01 0.05 -0.01 0.02 0.03 -0.02 -0.07 0.13 -0.03 0.04 -0.06 -0.05 0.09 -0.04 0.03 -0.01 -0.08 0.07 0.03 -0.03 0.03 0.01 0.08 0.05 -0.10 0.07 -0.44 -0.40 -0.46 0.01 -0.02 -0.02 -0.00 -0.07 -0.09 0.02 -0.09 0.06 -0.08 0.05 0.02 -0.07 0.04 0.01 -0.17 0.12 0.08 0.02 0.03 -0.05 0.01 0.06 -0.04 -0.04 0.22 -0.01 -0.02 -0.02 0.02 -0.01 -0.03 0.01 -0.00 -0.03 -0.01 0.15 -0.01 0.12 0.09 -0.05 0.13 0.14 -0.05 0.09 -0.01 0.03 -0.01 -0.04 0.05 0.01 -0.01 0.01 0.00 -0.03 0.03 0.07 -0.00 0.02 0.00 -0.07 -0.04 0.09 -0.01 -0.01 -0.03 0.04 -0.02 0.04 -0.06 0.07 -0.04 -0.01 -0.02 0.02 0.01 -0.02 0.02 0.00 -0.05 -0.08 -0.03 -0.01 0.00 0.01 -0.05 -0.06 -0.02 0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.09 -0.05 0.09 0.03 0.17 -0.49 -0.49 -0.35 -0.04 0.03 -0.04 -0.02 0.01 -0.04 0.01 -0.05 0.06 -0.03 0.02 -0.03 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.02 -0.05 0.06 0.02 -0.07 0.04 -0.00 -0.01 0.03 0.00 -0.05 0.04 -0.19 -0.17 -0.18 0.02 0.01 -0.01 -0.01 -0.01 -0.03 0.02 -0.02 0.04 0.01 -0.01 0.01 0.01 -0.01 0.00 0.04 -0.05 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.09 0.02 0.02 -0.02 0.01 -0.01 0.06 0.11 0.02 -0.01 0.00 -0.01 0.02 -0.01 -0.00 0.02 -0.01 -0.02 0.02 0.00 -0.05 -0.04 0.00 0.19 -0.00 0.04 -0.04 -0.07 0.02 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.01 -0.02 -0.00 0.01 -0.01 -0.01 0.03 -0.02 -0.02 0.06 -0.16 0.13 0.02 -0.15 -0.03 0.03 -0.01 -0.02 0.03 -0.22 -0.04 0.01 0.02 -0.08 0.05 0.02 0.04 0.02 0.02 -0.01 0.16 -0.04 0.00 0.09 0.00 -0.08 0.10 -0.08 0.04 -0.03 0.07 0.00 0.03 0.06 -0.03 0.10 0.07 0.01 0.01 0.04 0.04 -0.00 0.02 0.02 -0.03 0.02 -0.06 0.12 -0.09 -0.05 0.08 -0.06 -0.04 -0.05 0.03 -0.02 -0.10 0.06 -0.23 -0.21 -0.17 0.04 0.10 -0.01 -0.01 0.06 -0.04 0.01 0.04 0.07 0.01 -0.03 -0.01 -0.00 -0.02 -0.02 0.07 -0.09 -0.06 0.01 -0.05 0.04 -0.02 -0.05 0.02 -0.03 0.00 0.09 -0.08 -0.04 -0.01 -0.07 -0.03 0.02 -0.08 -0.00 -0.00 -0.02 0.05 -0.05 -0.03 0.03 -0.06 -0.02 0.04 -0.05 0.02 -0.01 -0.00 0.68 0.04 0.06 -0.01 -0.04 0.01 -0.01 -0.03 -0.02 -0.03 -0.03 -0.00 -0.01 -0.01 -0.02 0.10 0.01 -0.02 0.04 0.01 -0.04 0.17 -0.01 -0.02 0.02 -0.16 0.02 0.05 -0.04 -0.01 -0.10 0.07 -0.01 -0.09 -0.11 -0.10 -0.11 0.04 0.08 0.01 0.01 -0.03 -0.02 -0.07 0.06 -0.02 0.07 -0.02 0.03 0.08 0.05 -0.19 -0.07 -0.16 -0.04 -0.05 0.01 -0.03 -0.01 -0.02 -0.03 0.05 0.04 -0.02 -0.08 0.05 -0.03 -0.06 0.03 -0.04 -0.00 0.05 -0.02 0.07 -0.00 -0.06 0.02 -0.07 0.03 0.02 -0.07 0.01 0.11 -0.09 0.36 0.29 0.28 0.02 -0.10 0.06 0.03 -0.05 0.13 0.03 -0.02 -0.04 0.02 0.08 -0.03 0.05 0.03 0.03 -0.13 0.31 0.10 -0.05 0.07 -0.01 0.00 0.06 0.02 0.05 -0.15 -0.13 -0.02 -0.03 0.01 -0.05 0.01 0.04 -0.02 -0.04 0.02 0.10 -0.04 0.02 0.05 -0.02 0.03 0.12 -0.05 -0.03 0.01 0.01 -0.00 0.27 0.07 0.05 -0.01 -0.03 0.02 -0.03 0.03 -0.06 -0.01 0.03 -0.02 0.35 -0.03 0.10 -0.06 -0.02 0.04 0.02 -0.02 0.03 -0.07 -0.03 0.05 -0.01 -0.10 -0.03 0.04 -0.03 -0.04 0.03 -0.00 0.01 -0.07 -0.08 -0.10 0.02 0.04 0.01 -0.08 0.08 -0.05 -0.02 0.01 -0.00 -0.07 -0.08 0.12 -0.01 0.06 -0.07 0.01 0.11 -0.07 -0.11 -0.13 -0.11 -0.12 -0.10 -0.13 -0.06 0.02 -0.08 -0.10 -0.15 -0.07 0.06 0.03 0.09 0.09 -0.07 0.06 -0.07 -0.06 0.17 -0.08 -0.07 0.13 -0.00 -0.04 -0.03 0.02 -0.05 0.01 -0.04 -0.05 -0.03 -0.01 0.10 0.01 -0.04 0.08 -0.01 -0.02 0.07 0.04 -0.06 0.04 -0.09 -0.08 0.01 -0.00 -0.19 0.26 0.02 -0.01 -0.07 0.06 -0.06 -0.06 0.03 -0.04 -0.05 0.13 -0.12 -0.03 -0.10 -0.12 -0.03 -0.09 -0.13 -0.01 -0.08 0.18 -0.01 0.05 0.09 0.01 0.06 0.17 -0.07 -0.04 0.02 -0.07 0.09 -0.02 -0.11 0.05 -0.03 -0.03 0.07 0.14 -0.01 -0.09 0.01 0.03 -0.08 -0.20 0.16 -0.29 0.08 -0.03 0.03 0.11 -0.03 0.04 0.13 -0.02 0.02 0.03 0.15 0.04 0.02 0.14 0.04 -0.09 0.09 -0.04 0.10 0.08 0.07 -0.10 0.09 0.03 -0.04 0.02 -0.05 0.04 -0.13 0.18 0.06 -0.05 -0.02 -0.01 -0.06 -0.00 0.11 -0.00 0.11 -0.04 0.03 0.03 0.05 -0.02 0.02 0.02 -0.06 -0.02 -0.01 -0.01 0.08 -0.01 -0.07 0.07 -0.08 0.04 0.12 0.09 -0.03 -0.03 0.03 -0.06 -0.15 -0.05 0.01 0.05 -0.05 -0.02 0.04 -0.04 0.04 0.10 -0.00 0.02 -0.03 -0.04 0.00 -0.03 -0.02 0.00 -0.02 0.03 0.05 -0.02 0.07 0.00 0.02 0.31 -0.09 -0.17 -0.01 -0.06 0.05 -0.08 -0.04 0.01 -0.10 0.13 0.16 -0.01 0.04 -0.02 0.01 0.01 -0.03 -0.01 0.04 -0.03 0.02 0.01 0.02 0.01 -0.01 0.02 0.03 0.03 0.03 0.02 -0.04 0.01 -0.04 -0.08 -0.03 0.02 0.00 -0.02 -0.14 0.07 -0.08 -0.07 0.05 -0.02 0.64 -0.11 0.26 0.07 -0.00 -0.02 0.04 -0.00 -0.01 0.13 0.00 -0.03 0.00 0.05 -0.00 -0.01 0.01 0.01 -0.04 0.01 -0.05 0.04 0.04 0.04 -0.04 0.02 -0.02 0.06 -0.03 -0.02 -0.05 0.01 -0.05 -0.09 0.04 0.03 0.02 0.02 0.00 -0.00 0.02 -0.02 -0.02 -0.01 -0.01 -0.06 0.01 -0.01 -0.00 0.01 0.01 -0.03 -0.02 -0.03 -0.05 -0.04 -0.01 0.01 -0.06 -0.02 -0.11 0.03 0.04 -0.09 0.05 0.08 -0.06 0.06 0.08 -0.09 0.03 0.05 0.04 0.18 0.25 -0.05 -0.09 -0.05 -0.06 -0.09 -0.04 -0.03 -0.07 -0.07 0.02 0.07 0.04 0.06 0.04 0.03 0.44 -0.26 -0.23 0.01 -0.04 -0.01 -0.08 -0.01 -0.06 -0.17 0.40 0.19 -0.02 0.01 0.09 0.00 -0.02 0.06 -0.00 -0.01 0.05 0.03 0.04 0.01 0.08 -0.01 0.01 0.03 0.07 0.10 0.01 -0.01 -0.08 -0.02 -0.01 -0.08 0.00 -0.01 -0.09 0.12 0.04 -0.02 0.07 0.05 -0.02 -0.19 0.14 -0.17 0.04 -0.03 -0.05 0.03 -0.03 -0.05 0.11 -0.03 -0.05 0.00 -0.04 -0.00 0.02 0.01 -0.01 0.06 -0.03 -0.04 -0.01 -0.05 -0.05 0.06 -0.04 -0.04 0.04 -0.03 0.10 0.01 0.01 -0.02 0.09 -0.10 0.03 -0.00 0.25 -0.09 -0.24 0.19 -0.33 0.07 -0.15 -0.04 0.05 -0.09 -0.05 -0.11 0.21 -0.02 0.00 -0.03 -0.06 -0.01 -0.00 -0.04 -0.02 0.03 -0.03 0.14 -0.07 0.03 0.11 -0.06 -0.04 -0.06 0.04 0.08 -0.06 -0.01 0.06 -0.04 0.09 0.16 0.00 -0.08 -0.04 0.03 -0.06 -0.01 -0.01 -0.06 -0.06 0.03 -0.04 0.02 0.00 -0.01 -0.01 -0.08 -0.03 0.07 -0.00 0.04 -0.02 0.05 0.02 0.01 0.06 -0.06 -0.10 -0.11 -0.11 0.05 -0.12 -0.10 0.07 -0.12 -0.09 0.05 -0.02 0.09 -0.09 -0.02 0.06 -0.09 -0.04 0.08 -0.07 -0.02 0.01 -0.02 -0.33 0.03 0.00 -0.07 -0.04 -0.00 -0.09 -0.01 0.05 -0.02 -0.03 0.07 0.19 -0.10 0.19 0.07 -0.02 -0.03 0.03 -0.02 -0.08 0.17 -0.08 -0.03 -0.01 0.10 0.05 0.04 0.12 0.04 0.05 -0.07 0.04 0.01 0.05 0.01 0.06 -0.04 -0.00 0.09 -0.01 -0.03 0.03 0.01 0.02 0.00 -0.01 0.01 -0.00 0.10 -0.01 -0.15 -0.01 -0.14 0.07 -0.03 -0.03 0.05 -0.00 -0.03 -0.02 0.09 -0.00 0.05 0.01 -0.03 0.01 -0.01 0.01 0.00 -0.01 0.01 0.02 0.00 0.01 0.00 -0.00 -0.02 0.09 -0.03 -0.11 0.11 0.01 -0.09 0.08 -0.06 -0.16 -0.09 0.11 0.03 -0.07 0.09 -0.04 -0.03 0.10 0.05 -0.05 0.04 0.03 -0.00 0.00 0.00 0.43 -0.35 -0.28 0.04 -0.09 0.01 -0.09 -0.05 -0.07 -0.16 0.32 0.26 -0.00 -0.05 -0.02 -0.04 -0.01 0.01 -0.01 -0.06 0.00 -0.03 -0.04 0.03 0.06 -0.06 0.03 -0.02 0.00 0.13 -0.01 0.06 0.03 -0.12 0.10 0.07 -0.03 0.00 0.06 -0.03 0.00 -0.01 0.03 -0.01 -0.00 0.11 -0.05 0.07 -0.09 -0.03 0.05 -0.07 -0.03 0.04 -0.19 -0.04 0.06 -0.02 -0.01 0.00 -0.01 0.00 0.00 0.07 0.05 0.01 -0.02 -0.01 -0.00 0.07 -0.02 -0.00 0.12 0.02 0.09 0.07 -0.06 0.11 -0.02 0.02 -0.00 0.03 -0.00 0.01 0.01 0.01 -0.01 -0.07 -0.01 0.03 -0.05 -0.03 0.03 -0.01 -0.02 0.01 -0.06 -0.03 0.02 0.12 0.03 0.12 0.06 -0.01 0.11 -0.01 0.02 -0.01 -0.03 0.02 -0.05 0.02 0.02 0.02 0.02 0.01 0.01 -0.10 -0.12 -0.17 -0.12 0.02 -0.05 -0.10 0.01 -0.10 -0.06 -0.01 -0.02 -0.05 -0.09 -0.07 -0.12 -0.06 0.01 -0.49 0.32 0.23 0.01 -0.07 0.03 0.01 -0.07 0.02 -0.08 0.22 0.10 0.04 0.01 0.13 0.06 -0.02 0.09 0.06 -0.01 0.10 0.04 0.02 -0.08 0.01 0.07 -0.08 0.01 -0.05 -0.15 0.03 -0.01 -0.10 -0.23 -0.02 -0.11 0.03 -0.02 -0.11 -0.03 0.02 -0.09 0.04 0.00 -0.02 0.16 0.02 -0.03 -0.07 0.04 -0.01 -0.01 0.03 -0.03 -0.12 0.03 -0.01 -0.02 -0.03 -0.01 0.00 -0.01 -0.01 0.12 0.03 0.05 -0.00 -0.05 -0.02 0.12 -0.03 -0.03 0.00 0.03 0.01 0.00 -0.01 -0.01 0.02 0.00 -0.01 -0.00 -0.02 0.01 0.00 -0.02 0.01 -0.01 0.01 0.01 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.01 0.03 0.03 0.00 0.03 0.01 -0.00 0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.04 0.00 -0.02 -0.05 0.05 -0.02 0.16 0.15 0.18 0.05 -0.04 0.05 -0.05 -0.09 0.05 0.05 -0.04 0.05 -0.05 -0.04 0.03 -0.07 -0.02 0.03 -0.18 0.05 0.11 0.01 -0.00 -0.09 -0.02 0.01 -0.11 -0.25 0.82 0.12 -0.01 0.00 -0.06 -0.01 0.01 -0.04 -0.02 0.02 -0.04 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.04 -0.03 -0.01 0.01 0.04 0.05 0.01 0.04 -0.01 0.01 0.05 -0.02 -0.04 0.01 -0.01 -0.04 -0.00 -0.03 -0.05 0.01 0.04 0.01 0.01 0.03 0.01 0.00 0.09 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.00 0.03 0.02 -0.01 0.01 0.01 -0.00 0.04 0.03 -0.02 0.00 0.04 -0.04 -0.02 -0.03 0.07 -0.03 0.02 -0.02 -0.02 -0.05 0.19 0.20 0.15 -0.04 -0.03 0.01 -0.03 -0.04 0.01 -0.03 -0.01 -0.01 -0.04 -0.03 -0.00 -0.04 0.00 -0.04 -0.03 0.02 -0.03 0.04 -0.05 0.00 0.05 -0.05 0.02 0.04 -0.02 -0.06 0.03 0.03 -0.06 0.09 -0.02 -0.08 0.05 0.03 0.04 -0.00 -0.00 0.04 0.05 0.02 0.06 0.01 0.03 0.02 0.02 0.03 0.01 0.10 -0.05 -0.04 -0.00 -0.01 -0.01 -0.02 0.01 -0.02 -0.07 0.20 0.05 0.02 0.03 0.12 0.04 -0.03 0.05 0.04 -0.01 0.10 0.05 0.02 -0.07 0.05 -0.01 -0.07 0.05 0.04 -0.04 -0.12 -0.09 -0.08 0.73 -0.08 -0.07 0.00 -0.04 -0.11 -0.02 -0.02 0.03 -0.00 -0.02 0.02 -0.03 -0.03 0.03 -0.08 -0.01 0.02 -0.03 -0.01 -0.04 -0.12 -0.06 0.03 0.07 0.09 0.03 0.11 0.13 0.02 -0.05 0.05 0.01 -0.01 0.13 -0.07 -0.08 -0.04 0.08 -0.06 -0.03 -0.17 0.10 0.06 0.08 -0.03 -0.01 0.06 -0.04 0.09 -0.03 -0.01 0.07 0.01 0.17 0.02 -0.08 0.14 0.04 -0.08 0.00 0.12 -0.05 0.16 0.07 -0.07 0.07 -0.00 0.08 0.08 -0.01 0.08 -0.02 -0.01 0.05 -0.05 -0.01 -0.01 -0.02 0.00 0.03 -0.06 0.01 -0.03 0.01 -0.01 -0.01 0.04 -0.02 0.01 0.01 -0.04 0.01 0.03 -0.03 0.02 -0.04 -0.07 -0.02 -0.03 -0.09 0.01 -0.25 0.15 0.13 0.00 0.03 -0.04 0.03 0.01 -0.03 -0.01 0.11 -0.04 0.01 -0.01 0.13 0.01 -0.02 0.11 0.01 -0.01 0.12 -0.17 -0.15 0.19 -0.15 -0.06 0.20 -0.15 -0.16 0.11 -0.01 -0.09 -0.08 0.33 -0.07 -0.07 0.04 -0.09 -0.09 0.02 0.09 -0.06 -0.02 0.11 -0.05 0.16 0.09 -0.02 -0.01 0.08 -0.03 -0.03 0.08 0.14 0.13 0.23 -0.07 0.04 0.04 0.02 0.05 0.11 0.00 -0.06 -0.01 -0.08 0.02 0.02 -0.05 -0.07 -0.01 -0.11 -0.09 0.00 0.02 -0.05 0.05 -0.08 -0.01 -0.00 -0.01 0.01 0.03 0.00 -0.06 -0.02 -0.06 0.02 -0.00 -0.00 0.01 0.02 -0.01 0.00 0.03 0.00 0.02 -0.00 0.00 -0.10 -0.03 -0.08 -0.05 0.01 -0.08 0.01 0.01 -0.00 0.02 0.02 0.01 0.01 -0.02 -0.03 -0.01 0.02 -0.04 0.05 -0.02 -0.05 0.05 0.08 0.01 -0.07 0.02 0.01 0.03 0.05 0.05 0.16 0.06 -0.05 0.18 0.05 0.00 -0.18 0.42 0.19 -0.06 -0.09 0.06 -0.02 -0.05 0.11 -0.19 0.44 0.12 0.01 -0.00 0.06 0.01 -0.01 0.05 0.01 -0.00 0.06 -0.01 -0.05 0.01 -0.08 0.01 0.01 0.04 -0.02 -0.09 0.10 -0.02 -0.04 -0.47 -0.07 -0.09 0.05 -0.01 -0.06 0.01 -0.03 0.05 -0.02 -0.02 0.02 -0.08 -0.02 0.02 -0.02 0.03 0.00 -0.01 0.03 0.02 0.02 0.05 -0.01 -0.03 -0.02 -0.00 -0.04 -0.03 -0.00 -0.09 -0.01 0.00 0.04 -0.07 0.04 -0.06 -0.00 -0.07 0.18 -0.06 -0.00 -0.01 0.04 -0.02 0.02 -0.01 0.01 -0.02 -0.02 -0.01 0.04 0.02 0.05 0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.03 -0.05 -0.02 -0.03 -0.04 0.01 -0.03 -0.00 -0.01 0.01 0.01 -0.01 0.03 -0.03 0.02 0.05 -0.02 -0.00 0.06 -0.09 -0.02 0.00 -0.09 -0.01 -0.05 -0.09 -0.02 -0.06 -0.06 -0.02 -0.04 0.12 0.04 -0.07 0.12 0.02 -0.02 -0.25 0.40 0.19 -0.04 -0.07 0.07 0.01 -0.05 0.13 -0.06 0.11 0.04 0.00 -0.01 -0.10 0.00 0.01 -0.05 -0.01 0.04 -0.07 -0.04 -0.08 0.01 0.01 -0.04 0.01 -0.01 -0.06 -0.02 -0.16 0.08 0.07 0.56 0.16 0.16 -0.07 0.03 0.11 0.00 0.01 0.01 0.08 -0.01 0.01 -0.02 -0.02 0.02 0.05 0.06 -0.00 0.02 0.07 0.03 0.06 0.09 -0.01 0.03 0.02 0.01 0.04 0.03 0.00 0.15 0.02 0.00 -0.06 0.11 -0.04 0.12 -0.09 0.10 0.01 -0.06 -0.09 0.03 -0.00 0.03 -0.02 -0.01 0.00 0.01 -0.01 -0.00 0.04 0.02 0.02 0.00 0.01 -0.00 0.04 0.02 -0.02 -0.00 -0.02 0.00 -0.04 0.08 0.04 0.01 -0.03 0.02 0.00 -0.03 0.02 -0.02 -0.01 -0.00 -0.02 0.00 -0.01 0.04 0.00 -0.06 0.08 -0.09 -0.02 0.01 0.09 0.11 0.01 0.02 0.02 -0.04 0.01 0.05 0.03 0.05 -0.01 0.11 -0.11 -0.03 0.02 -0.00 -0.04 -0.34 0.15 0.23 -0.02 -0.03 0.01 0.08 -0.05 0.08 -0.04 0.23 -0.05 -0.02 0.01 -0.02 -0.05 0.02 -0.04 0.00 -0.10 -0.08 -0.07 0.33 0.15 -0.13 0.24 0.14 -0.11 0.25 0.09 -0.03 0.01 0.02 0.12 0.03 0.03 -0.03 0.01 0.02 0.01 0.04 -0.02 0.02 0.05 -0.01 0.04 0.04 -0.01 -0.03 -0.23 -0.02 -0.06 -0.25 -0.00 -0.30 -0.20 -0.00 0.01 0.00 0.00 0.01 0.01 -0.00 0.01 -0.03 -0.04 -0.01 0.01 -0.01 0.01 -0.06 -0.07 0.10 0.37 -0.10 -0.01 0.07 -0.09 0.06 -0.00 -0.04 -0.00 -0.00 -0.00 0.02 0.03 0.02 0.01 0.00 0.01 0.03 0.03 -0.01 0.00 0.00 0.01 0.01 0.02 0.03 -0.03 0.02 -0.06 -0.03 -0.07 -0.09 0.04 -0.00 -0.02 0.02 -0.07 -0.03 0.00 0.02 0.02 -0.01 -0.04 -0.01 -0.04 0.03 0.05 -0.15 -0.08 -0.03 -0.11 -0.06 -0.03 -0.04 -0.04 -0.07 0.03 0.01 -0.00 0.03 0.03 -0.07 -0.04 -0.04 0.01 0.00 -0.00 0.02 0.06 -0.00 0.07 0.08 -0.12 -0.09 -0.00 0.01 0.03 -0.00 0.00 0.02 0.00 -0.02 0.02 -0.02 0.01 0.12 0.03 0.13 0.12 -0.01 0.01 0.08 0.07 -0.10 -0.01 0.18 -0.12 -0.03 0.04 -0.07 -0.04 -0.07 -0.23 0.04 -0.02 -0.26 -0.04 -0.16 -0.29 0.04 -0.01 -0.04 -0.02 -0.01 -0.05 0.09 0.04 0.07 -0.04 0.00 0.01 0.01 0.02 0.01 0.01 0.13 0.35 -0.03 0.01 -0.02 -0.01 0.10 0.39 -0.04 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 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 0.02 0.01 0.01 -0.10 -0.04 -0.18 0.05 -0.04 -0.10 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.02 -0.00 -0.02 -0.03 0.02 -0.04 -0.06 0.06 0.15 0.00 0.02 0.00 -0.00 0.02 0.00 -0.00 0.02 0.00 -0.01 0.00 0.00 -0.00 0.02 0.01 0.04 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.09 -0.02 0.01 -0.02 -0.03 0.02 0.94 -0.05 -0.07 -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 -0.01 -0.01 -0.00 0.00 0.00 -0.17 -0.18 -0.10 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.04 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.03 0.02 -0.03 0.03 -0.04 0.01 -0.00 0.01 -0.01 0.11 0.10 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 0.00 0.00 -0.00 0.02 -0.05 0.01 -0.05 0.01 0.04 -0.01 -0.01 0.00 0.10 0.04 -0.01 -0.00 0.01 -0.02 0.02 -0.03 0.01 -0.02 -0.10 0.36 0.20 0.37 0.05 0.02 0.02 -0.02 -0.33 -0.07 -0.34 -0.16 -0.23 0.46 0.00 0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.06 0.05 0.01 -0.00 -0.01 -0.07 -0.00 -0.00 -0.00 0.01 0.02 0.02 0.00 -0.02 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.08 -0.04 -0.08 0.03 -0.00 -0.00 -0.00 -0.00 -0.01 0.04 0.01 0.04 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.02 0.03 -0.00 0.00 -0.00 0.02 0.02 -0.02 0.00 -0.00 -0.01 0.13 0.48 -0.22 0.02 -0.02 -0.08 0.01 -0.03 0.01 -0.07 0.29 -0.11 -0.01 -0.00 0.00 -0.04 0.11 -0.04 -0.15 -0.06 0.24 -0.09 0.15 0.01 -0.00 -0.01 0.00 0.21 -0.24 -0.11 0.01 0.00 0.00 -0.02 -0.08 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.07 -0.09 0.04 0.04 0.09 0.01 0.00 0.00 -0.01 -0.08 -0.01 -0.07 -0.04 -0.05 0.10 -0.00 0.01 0.00 0.05 -0.06 -0.04 0.01 0.02 -0.02 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.04 -0.07 -0.01 -0.00 0.00 0.01 -0.01 -0.03 -0.02 -0.00 0.03 -0.01 -0.02 -0.01 0.01 -0.10 0.03 0.31 0.17 0.32 -0.08 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.01 0.02 -0.00 -0.01 0.00 -0.00 0.09 -0.06 0.02 0.01 -0.02 -0.01 -0.02 0.01 -0.03 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 0.01 -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 0.04 -0.29 0.51 -0.20 0.53 -0.16 -0.46 -0.00 0.00 -0.01 0.01 -0.04 -0.10 -0.05 -0.10 0.11 0.00 -0.00 -0.00 0.00 -0.01 0.03 0.02 0.04 0.00 0.00 0.01 0.00 -0.03 0.01 -0.02 -0.00 -0.05 0.04 -0.00 0.00 -0.00 -0.02 0.01 -0.02 -0.00 -0.04 -0.01 -0.01 0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.03 -0.02 0.01 0.08 -0.02 -0.08 -0.10 -0.11 0.03 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 0.01 0.00 0.01 -0.00 -0.02 -0.27 -0.19 -0.20 0.05 0.02 0.01 -0.01 0.02 -0.01 0.09 -0.34 0.13 -0.00 -0.00 0.02 0.04 -0.03 0.01 0.18 0.07 -0.27 0.06 -0.10 0.06 0.00 0.02 0.01 0.05 -0.17 -0.06 0.01 0.00 -0.00 -0.05 -0.08 -0.09 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.10 0.11 0.01 -0.02 -0.06 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.02 0.01 0.02 -0.03 0.00 -0.01 -0.00 -0.07 0.08 0.05 -0.02 -0.03 0.03 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.05 0.06 -0.01 -0.00 -0.00 -0.01 0.02 0.04 0.04 0.01 -0.05 0.02 -0.01 -0.03 0.01 -0.14 0.03 0.42 0.16 0.44 -0.17 0.00 0.00 -0.00 -0.01 0.00 -0.02 -0.01 -0.02 0.00 0.01 -0.00 0.01 -0.12 0.03 -0.01 0.02 -0.03 -0.01 0.00 0.04 0.06 0.02 0.01 -0.02 0.01 -0.00 -0.01 -0.17 -0.22 -0.06 0.02 -0.01 -0.06 0.01 0.01 0.01 -0.10 0.08 -0.12 0.01 0.00 -0.01 -0.01 0.03 -0.01 -0.05 -0.01 0.11 0.02 -0.02 -0.01 0.00 0.01 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.04 0.02 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.06 0.06 0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.01 0.01 0.00 -0.02 -0.00 -0.02 0.01 0.03 -0.14 -0.16 -0.00 -0.06 0.01 -0.01 -0.00 -0.00 0.03 -0.03 -0.00 0.01 0.03 0.04 -0.01 0.02 0.03 0.12 -0.41 -0.41 0.02 0.46 -0.21 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.20 -0.20 0.03 -0.01 0.04 -0.01 0.10 0.05 0.27 -0.04 0.01 0.15 0.00 -0.00 -0.00 0.37 0.48 0.12 0.02 0.02 0.05 0.00 0.03 -0.01 0.08 -0.40 0.12 -0.02 -0.01 0.02 0.01 -0.08 0.03 0.16 0.04 -0.32 -0.05 0.04 0.00 -0.01 -0.02 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.02 0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.15 -0.14 -0.05 0.01 0.05 0.02 0.00 0.00 -0.01 -0.07 0.01 -0.06 -0.03 -0.04 0.09 0.00 -0.01 0.00 -0.09 0.05 -0.01 -0.02 -0.09 0.03 0.01 0.01 -0.01 0.00 0.03 -0.00 -0.06 -0.08 -0.02 -0.00 0.01 0.00 0.08 -0.12 -0.13 0.02 0.14 -0.07 0.00 0.00 0.00 0.02 -0.00 -0.04 -0.01 -0.05 0.02 -0.00 -0.00 -0.00 0.03 -0.01 0.07 -0.01 0.09 -0.02 0.01 -0.00 0.00 -0.26 -0.02 -0.01 -0.00 0.01 0.00 0.07 0.05 0.20 -0.01 -0.00 0.03 0.00 -0.01 0.01 -0.13 -0.04 -0.14 0.02 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.06 -0.00 0.03 0.02 0.02 0.01 -0.01 -0.01 -0.06 0.00 0.01 0.00 0.14 0.01 -0.02 -0.00 0.00 -0.00 0.03 -0.00 0.05 0.00 0.01 0.01 -0.08 -0.03 -0.11 0.05 -0.00 -0.03 0.00 0.00 -0.00 -0.07 -0.02 0.02 0.01 0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.11 0.18 0.24 0.12 -0.08 -0.01 -0.01 0.01 0.18 0.00 0.16 0.10 0.11 -0.25 -0.01 0.01 0.00 -0.05 0.03 -0.02 0.03 -0.14 -0.08 0.00 0.01 -0.02 -0.01 0.18 -0.02 -0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 0.01 0.01 -0.02 -0.00 0.00 -0.01 0.01 -0.00 0.02 -0.00 -0.04 0.00 -0.05 0.03 0.01 -0.04 0.01 0.06 -0.07 0.46 -0.02 0.55 -0.11 -0.00 0.00 0.00 0.02 -0.01 0.00 -0.01 -0.00 -0.03 -0.01 0.01 -0.01 -0.01 -0.03 -0.03 -0.00 -0.00 -0.00 0.13 -0.14 0.31 -0.03 0.00 0.05 -0.00 -0.00 0.00 -0.02 0.10 -0.03 0.00 0.00 -0.01 0.03 -0.07 0.01 -0.06 -0.03 0.05 0.01 -0.02 -0.02 0.00 0.00 -0.01 -0.33 0.07 0.06 0.01 0.00 0.00 -0.04 0.01 -0.08 0.00 0.00 0.00 -0.06 -0.02 -0.09 0.04 -0.01 -0.03 -0.00 -0.00 0.00 0.07 0.03 -0.02 0.01 0.00 -0.01 0.03 0.02 0.02 0.01 0.12 -0.24 -0.24 -0.20 0.06 0.01 0.01 -0.01 -0.18 0.02 -0.16 -0.10 -0.11 0.25 -0.00 0.00 0.00 0.01 -0.02 -0.02 0.04 -0.07 -0.09 -0.00 -0.00 -0.02 0.03 0.09 -0.02 0.01 0.01 -0.04 0.00 0.00 0.01 -0.00 -0.04 -0.04 -0.05 0.04 -0.02 0.01 -0.02 0.00 -0.06 0.01 0.16 0.01 0.18 -0.10 0.00 -0.03 0.01 0.01 -0.05 0.31 -0.00 0.37 -0.07 -0.00 -0.00 -0.00 0.08 0.06 -0.01 0.01 -0.03 -0.01 -0.00 -0.06 -0.08 0.01 0.01 0.01 0.00 -0.00 -0.01 -0.03 0.04 -0.08 -0.39 -0.08 0.25 -0.01 0.00 0.00 0.04 -0.05 0.06 -0.00 -0.00 0.01 0.10 -0.02 -0.02 -0.02 -0.04 -0.10 -0.00 0.03 0.08 -0.00 0.00 0.00 0.06 -0.05 -0.03 0.02 -0.01 -0.00 -0.06 0.39 -0.26 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.06 0.06 0.06 -0.01 -0.00 0.00 0.00 0.03 -0.01 0.02 0.02 0.01 -0.04 0.00 -0.01 0.00 0.04 -0.03 0.01 0.03 -0.01 -0.06 -0.00 0.00 -0.00 -0.00 -0.03 -0.00 -0.01 -0.01 0.01 -0.00 0.02 0.02 -0.01 -0.15 -0.15 -0.12 0.17 -0.07 -0.00 -0.01 0.01 0.07 -0.03 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.03 0.03 -0.04 0.01 -0.00 0.00 0.00 0.19 0.34 -0.07 -0.01 0.04 0.01 0.12 -0.35 -0.27 -0.03 0.00 0.10 0.01 0.00 -0.01 0.19 -0.14 0.38 0.04 0.02 0.01 0.00 0.00 0.00 -0.02 0.07 -0.03 0.00 0.00 -0.01 0.12 -0.05 -0.03 -0.07 -0.04 0.01 0.01 0.01 0.07 -0.00 0.02 -0.04 -0.25 0.32 0.10 0.00 0.00 0.00 -0.07 -0.10 -0.11 -0.00 -0.00 -0.00 0.02 0.01 0.03 -0.02 0.00 0.01 0.00 0.00 -0.00 -0.03 -0.01 0.02 -0.02 0.00 0.00 -0.03 -0.02 -0.00 0.13 -0.25 0.22 0.29 0.27 -0.05 -0.00 -0.00 0.01 0.11 -0.01 0.10 0.06 0.08 -0.16 -0.00 -0.00 -0.00 0.03 -0.03 -0.01 -0.00 0.04 0.01 0.00 0.01 0.01 -0.07 0.01 0.01 -0.06 -0.10 -0.06 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.03 0.00 -0.13 0.02 0.20 -0.02 0.26 -0.15 -0.00 0.01 -0.00 0.02 0.01 -0.11 0.01 -0.13 0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.03 0.01 -0.02 0.02 -0.00 0.03 0.02 -0.01 -0.00 0.00 0.01 -0.01 -0.02 -0.00 -0.36 -0.13 0.06 0.02 -0.00 0.00 -0.07 0.09 -0.10 -0.01 -0.00 -0.00 0.15 0.10 -0.10 -0.08 -0.04 0.08 0.02 0.03 0.19 0.00 0.00 0.00 -0.02 -0.02 -0.01 0.01 -0.01 0.01 -0.09 0.26 -0.26 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.01 0.00 -0.03 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.03 0.04 0.05 0.00 -0.01 -0.00 -0.11 0.04 -0.00 0.04 0.01 -0.11 -0.01 -0.01 -0.03 0.10 0.18 0.17 0.13 -0.18 0.08 0.00 -0.00 0.01 0.07 -0.02 0.01 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.04 -0.03 0.05 -0.01 0.01 0.01 -0.02 -0.34 -0.22 0.03 0.00 0.00 0.03 0.25 -0.02 0.41 0.01 -0.04 -0.14 -0.00 0.00 -0.00 -0.02 -0.01 -0.02 0.08 0.09 0.18 0.00 0.01 0.00 -0.05 -0.03 -0.05 0.01 0.01 0.00 -0.08 -0.19 0.11 -0.13 -0.10 -0.10 -0.05 0.04 -0.20 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.00 -0.00 -0.01 0.04 0.05 0.07 0.00 0.00 0.00 -0.04 -0.01 -0.06 0.03 -0.00 -0.02 0.00 -0.00 0.00 -0.03 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.03 0.00 0.04 0.01 0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.00 0.44 -0.21 0.28 0.16 0.45 -0.28 0.00 0.00 0.00 0.15 -0.01 -0.00 -0.04 -0.00 0.12 0.01 -0.00 -0.01 0.02 0.04 0.04 -0.08 -0.05 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.03 0.03 0.02 -0.00 -0.00 -0.02 0.01 -0.13 -0.01 0.04 0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.26 0.09 -0.03 -0.02 0.02 -0.06 0.06 0.01 0.13 -0.03 -0.01 0.04 0.00 -0.01 -0.00 0.01 0.06 -0.04 0.07 -0.03 -0.19 -0.01 0.01 -0.00 0.03 -0.08 0.05 -0.01 -0.01 -0.00 0.31 0.23 -0.21 0.00 -0.01 -0.10 0.08 0.00 0.45 -0.00 -0.01 0.00 0.06 -0.00 -0.00 -0.01 0.00 0.01 -0.10 -0.25 -0.11 -0.00 0.00 0.00 -0.03 -0.02 -0.05 0.02 0.00 -0.01 -0.00 0.00 -0.00 0.06 0.01 -0.05 0.07 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.03 -0.03 -0.01 -0.07 -0.01 -0.00 -0.00 0.00 -0.01 0.05 0.02 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.24 -0.11 0.17 0.11 0.21 -0.20 0.00 -0.00 -0.01 -0.24 -0.00 -0.01 0.11 0.07 -0.19 0.00 0.00 0.01 0.00 -0.07 -0.06 -0.10 0.06 -0.03 0.01 0.02 0.01 -0.05 0.03 -0.12 -0.07 -0.08 0.02 -0.00 -0.01 0.01 -0.05 -0.01 0.05 0.02 0.05 -0.01 0.00 -0.00 0.01 0.10 -0.02 0.02 0.04 -0.04 0.14 -0.09 0.06 -0.07 0.07 0.06 0.01 -0.00 0.01 0.01 0.01 0.02 0.00 -0.03 -0.03 -0.05 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.04 0.04 -0.03 0.01 0.01 -0.01 0.00 0.01 0.06 -0.00 -0.00 -0.00 0.02 0.02 0.01 0.00 0.00 0.00 -0.03 -0.03 -0.06 0.01 -0.01 0.02 -0.01 0.06 0.01 0.01 -0.08 -0.11 0.02 -0.01 -0.01 -0.14 0.23 0.55 -0.44 0.25 -0.31 -0.00 0.01 0.00 -0.02 0.03 0.00 -0.02 -0.01 0.01 0.00 0.00 -0.01 0.09 -0.34 -0.08 -0.02 0.04 0.02 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.07 0.01 -0.00 -0.00 0.02 0.05 -0.00 -0.00 0.00 0.02 -0.01 -0.01 -0.02 0.01 -0.00 0.01 0.00 0.00 -0.07 0.02 -0.06 -0.02 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.02 -0.03 0.01 0.04 -0.14 -0.19 0.02 -0.02 0.01 0.06 0.06 -0.00 -0.00 0.00 0.00 -0.06 0.00 -0.08 0.27 0.21 0.36 0.02 -0.01 0.02 -0.06 0.11 -0.09 0.00 0.01 -0.01 0.21 -0.15 -0.01 -0.28 -0.22 -0.11 -0.03 0.11 0.10 -0.00 0.00 0.01 0.06 -0.05 -0.02 -0.01 -0.01 -0.01 -0.03 -0.10 -0.03 0.00 -0.00 0.00 0.02 0.02 0.03 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.05 0.05 0.03 -0.05 0.03 -0.03 0.00 0.00 0.00 -0.03 0.04 -0.02 -0.01 -0.06 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.00 0.02 -0.00 0.00 0.01 0.00 -0.08 -0.05 -0.23 -0.07 -0.13 0.12 0.00 -0.01 0.00 -0.15 0.05 0.01 0.04 -0.01 -0.14 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.11 0.01 0.01 0.00 0.01 0.00 -0.03 0.01 -0.07 -0.02 -0.05 0.02 -0.00 0.00 -0.00 0.06 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.02 0.00 -0.29 0.38 -0.10 0.04 -0.08 0.05 -0.09 0.07 -0.06 0.07 0.04 -0.10 0.01 0.00 0.00 -0.03 -0.04 -0.01 0.04 0.01 -0.02 0.01 0.00 0.00 0.01 0.02 0.00 -0.01 -0.01 0.00 0.23 0.06 -0.11 -0.10 -0.08 -0.08 -0.04 0.14 0.22 0.00 -0.00 0.00 0.02 0.03 0.01 -0.00 0.00 0.01 -0.12 -0.16 -0.19 -0.00 0.00 -0.00 -0.02 -0.04 -0.05 0.00 0.02 0.02 0.00 0.00 0.00 -0.19 -0.13 -0.04 0.11 -0.06 0.07 0.00 -0.00 -0.01 -0.01 0.00 0.04 -0.03 0.07 0.02 0.00 0.01 0.00 0.03 -0.18 -0.06 0.00 -0.05 0.03 0.00 0.00 0.00 -0.08 0.04 -0.04 -0.02 -0.09 0.03 -0.01 0.01 -0.03 0.35 -0.23 -0.04 -0.17 -0.03 0.40 0.01 -0.00 -0.01 -0.08 0.06 0.05 0.01 -0.06 0.02 0.00 0.01 0.01 0.04 -0.01 -0.02 -0.06 -0.01 -0.00 0.01 -0.00 0.00 -0.03 -0.01 0.06 -0.02 0.09 -0.01 0.01 -0.00 0.00 -0.04 0.03 -0.01 -0.12 0.23 -0.15 -0.08 0.10 -0.01 -0.21 -0.15 0.18 -0.02 0.00 -0.00 -0.06 -0.04 -0.04 0.00 -0.01 -0.04 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.01 0.02 0.01 -0.01 -0.02 -0.02 -0.01 -0.04 0.08 -0.00 -0.00 -0.00 0.00 0.09 0.08 0.02 0.01 0.01 0.00 -0.06 -0.09 -0.11 0.00 0.00 -0.00 0.05 0.04 0.07 -0.01 0.01 0.01 -0.00 0.00 0.00 0.25 0.09 -0.09 -0.17 -0.04 0.05 0.01 -0.01 -0.01 0.03 -0.03 -0.02 -0.02 0.02 0.01 -0.00 -0.02 -0.00 -0.09 0.38 0.10 -0.00 0.05 -0.03 0.00 0.00 0.00 -0.06 0.08 0.05 0.03 -0.12 -0.08 -0.00 0.01 -0.01 0.20 -0.15 -0.02 -0.16 -0.08 0.25 -0.01 -0.00 -0.01 0.04 0.04 0.03 -0.13 -0.04 0.00 0.01 -0.00 0.01 -0.26 0.07 -0.15 -0.02 -0.02 0.01 -0.01 -0.00 0.00 0.04 -0.01 0.03 0.05 0.04 -0.01 -0.01 0.01 0.00 -0.04 -0.00 0.00 0.12 -0.30 0.00 0.16 -0.17 0.08 0.22 0.29 0.16 -0.00 -0.01 -0.02 0.02 0.01 0.02 0.13 0.05 0.00 0.01 -0.01 -0.00 -0.01 0.05 -0.02 0.00 0.00 -0.00 -0.02 0.01 0.00 -0.01 -0.00 0.05 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.00 0.00 -0.01 0.05 -0.08 0.13 -0.00 -0.00 0.02 -0.19 -0.16 -0.29 0.01 -0.04 -0.06 -0.02 -0.01 -0.00 0.05 0.10 0.12 0.40 0.25 -0.30 -0.00 -0.00 -0.00 -0.01 0.01 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.04 -0.10 -0.01 -0.00 0.03 -0.01 0.01 0.00 0.00 -0.10 0.12 0.07 0.02 -0.13 -0.05 0.00 0.01 -0.00 -0.08 -0.17 -0.01 0.01 0.03 0.04 0.00 0.00 -0.01 0.02 0.05 0.04 -0.14 -0.06 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.02 0.02 -0.01 0.01 0.01 0.01 -0.02 0.02 -0.04 -0.07 -0.04 0.03 -0.01 0.01 0.00 -0.08 0.06 -0.01 -0.00 0.12 0.37 0.23 -0.26 0.08 -0.00 0.06 0.19 -0.01 0.00 -0.01 -0.02 -0.02 -0.01 -0.18 -0.06 0.07 -0.00 0.01 0.00 0.00 -0.03 0.02 0.00 -0.00 0.00 -0.00 -0.04 0.02 0.02 0.01 -0.02 -0.02 0.02 -0.04 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.03 0.19 -0.12 0.00 -0.00 0.02 -0.13 -0.10 -0.19 0.02 -0.04 -0.06 -0.01 -0.01 0.00 0.17 0.16 0.13 0.11 0.20 -0.24 0.00 -0.01 -0.01 0.03 -0.04 0.00 0.01 0.04 0.00 0.00 -0.02 -0.01 -0.08 0.34 0.08 -0.00 0.04 -0.02 -0.00 -0.00 -0.00 0.03 -0.08 -0.09 -0.06 0.11 0.13 0.00 0.01 -0.01 0.07 -0.10 -0.01 -0.07 -0.03 0.12 0.00 -0.01 0.00 -0.06 -0.03 -0.02 0.14 0.03 -0.01 -0.00 -0.00 0.00 0.04 -0.01 0.02 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.08 0.00 0.01 -0.09 0.02 0.01 0.02 -0.02 -0.00 0.05 -0.10 0.02 0.01 -0.00 0.13 -0.37 0.45 -0.09 0.02 0.04 0.02 0.00 0.00 0.01 0.05 0.05 0.02 0.07 0.00 -0.10 -0.01 0.01 0.00 0.00 -0.05 0.02 -0.00 -0.00 0.00 -0.01 0.02 -0.00 0.01 0.01 -0.04 0.02 -0.04 0.01 -0.00 -0.01 -0.00 0.06 0.08 0.02 0.00 0.01 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 -0.08 -0.08 -0.14 0.02 0.00 -0.01 -0.00 0.00 0.01 0.03 0.01 -0.01 0.02 0.01 -0.00 -0.00 -0.01 -0.01 -0.06 0.03 0.05 0.00 0.03 0.00 0.00 -0.01 -0.00 -0.03 0.12 0.03 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.04 -0.14 -0.19 -0.19 0.36 0.44 -0.00 -0.01 -0.00 0.12 0.04 -0.00 0.11 0.16 0.07 -0.02 0.01 0.01 0.02 -0.00 -0.01 0.30 0.03 0.01 0.00 -0.00 0.00 -0.08 0.02 -0.04 -0.01 0.01 -0.01 0.02 -0.01 -0.01 -0.25 -0.01 0.08 -0.14 0.08 -0.01 -0.02 0.01 0.00 0.10 0.08 -0.01 0.00 -0.03 -0.11 0.22 -0.33 -0.03 -0.00 -0.04 -0.12 0.01 0.01 0.01 -0.08 -0.10 -0.01 0.10 0.01 -0.10 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.00 0.08 0.09 -0.07 -0.04 -0.03 -0.05 -0.01 0.06 0.12 0.00 0.01 0.00 -0.11 -0.13 -0.03 -0.01 0.00 -0.00 0.07 -0.08 0.18 0.00 -0.00 0.00 0.03 0.05 0.06 -0.01 -0.02 -0.03 0.01 -0.02 0.00 -0.02 0.08 0.19 -0.12 0.10 -0.13 0.00 -0.00 0.00 0.13 -0.10 -0.08 0.01 0.01 0.00 0.01 -0.02 -0.01 -0.16 0.51 0.08 -0.01 -0.02 0.03 -0.00 0.00 0.00 0.02 -0.01 0.02 0.03 -0.02 -0.07 0.00 0.01 0.00 -0.01 0.06 0.00 -0.16 -0.21 -0.05 0.00 0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.25 -0.06 0.11 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.11 0.00 -0.03 0.03 -0.04 0.01 -0.01 0.01 0.00 0.00 0.05 -0.01 -0.11 0.22 -0.15 0.14 -0.19 0.02 -0.21 -0.25 -0.10 0.01 0.00 0.00 0.14 0.15 0.07 0.06 0.08 0.18 0.00 -0.02 -0.01 -0.02 0.09 -0.05 -0.01 0.00 -0.01 0.03 0.05 -0.04 0.07 0.07 0.17 0.10 -0.16 0.09 -0.00 -0.01 -0.01 0.05 0.11 0.02 -0.00 -0.01 -0.01 0.02 0.05 0.03 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.02 0.01 0.06 -0.13 -0.01 0.01 -0.00 -0.02 -0.01 -0.20 0.11 0.17 0.04 0.07 -0.00 0.01 -0.01 -0.00 -0.08 0.31 0.07 0.01 -0.00 -0.02 0.01 -0.01 -0.00 -0.12 0.21 0.20 0.03 -0.11 -0.08 -0.02 -0.02 -0.00 0.07 0.03 -0.00 0.34 0.44 0.04 0.01 0.00 -0.00 -0.01 -0.02 -0.02 -0.15 0.00 -0.01 -0.00 -0.01 -0.00 0.03 -0.01 0.04 0.01 0.03 -0.02 0.01 0.00 0.00 -0.16 0.01 0.02 0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.12 0.07 -0.02 -0.05 0.06 -0.18 -0.05 0.08 0.02 -0.09 -0.07 0.09 -0.01 0.00 -0.01 0.02 -0.04 0.06 -0.04 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 0.09 0.28 -0.15 0.01 0.01 0.00 0.04 0.02 0.27 0.00 0.00 -0.01 -0.11 -0.04 -0.01 -0.02 -0.02 -0.01 0.31 0.31 0.57 0.00 0.00 -0.00 0.04 0.04 0.06 0.01 0.01 0.01 0.00 0.00 -0.00 0.07 0.01 -0.05 -0.11 -0.06 0.07 -0.00 -0.00 -0.00 0.01 -0.03 0.02 0.01 0.05 0.01 -0.00 0.00 0.00 0.04 -0.12 -0.01 0.00 0.02 -0.01 0.00 -0.00 -0.00 0.02 -0.04 -0.05 -0.04 0.08 0.10 0.00 0.01 -0.02 0.03 -0.19 -0.02 -0.05 0.01 0.14 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.05 -0.01 0.00 -0.01 -0.01 -0.01 0.07 -0.03 0.12 0.11 0.05 -0.00 0.00 -0.01 -0.00 -0.05 -0.01 0.07 -0.01 0.10 -0.02 0.01 -0.01 0.00 -0.10 0.13 -0.03 0.05 -0.11 0.09 -0.04 0.04 -0.02 0.10 0.14 0.09 0.00 -0.00 -0.00 -0.07 -0.07 -0.03 0.07 0.07 0.16 0.01 -0.02 -0.01 0.01 0.10 -0.02 -0.00 -0.00 -0.00 0.01 0.02 -0.02 0.05 0.05 0.15 -0.02 0.04 0.01 0.00 0.01 0.01 -0.05 -0.09 -0.02 0.00 -0.01 -0.00 -0.05 -0.03 -0.09 -0.00 0.00 -0.00 0.02 0.03 0.04 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.01 0.01 -0.05 -0.02 0.03 -0.00 0.01 0.01 0.13 -0.08 -0.10 -0.01 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.02 -0.01 -0.01 0.02 0.01 -0.04 -0.03 -0.18 0.41 0.50 -0.14 0.35 0.34 0.01 0.01 0.00 -0.07 0.03 0.00 -0.14 -0.21 -0.08 0.00 0.01 -0.00 -0.00 -0.10 -0.11 -0.04 0.07 -0.04 0.00 0.01 0.00 0.00 0.00 -0.03 -0.01 -0.03 0.01 0.01 -0.01 -0.01 -0.05 -0.01 0.04 -0.07 0.05 -0.02 -0.00 -0.00 -0.00 -0.04 0.03 -0.01 0.00 0.01 0.04 -0.03 0.04 0.00 -0.00 0.03 0.12 -0.00 -0.01 -0.02 0.04 0.04 0.02 -0.01 -0.03 -0.10 0.00 0.01 0.01 0.03 0.03 0.03 0.01 0.01 0.00 0.08 -0.26 0.08 -0.22 -0.18 -0.22 -0.05 0.07 -0.08 0.00 0.00 -0.01 -0.09 -0.11 -0.04 -0.00 0.01 0.00 -0.01 -0.03 -0.01 -0.01 -0.01 -0.01 0.18 0.25 0.33 0.02 -0.02 -0.04 0.01 -0.01 -0.01 0.04 0.05 0.05 -0.10 0.01 -0.03 0.00 -0.01 -0.00 -0.14 0.09 0.12 0.04 0.05 -0.01 -0.00 -0.00 0.00 0.00 0.04 0.02 0.01 0.02 -0.02 0.00 -0.00 -0.00 -0.02 0.02 -0.01 -0.06 0.08 0.14 -0.00 -0.00 -0.00 -0.09 -0.12 -0.01 0.14 0.17 -0.01 0.00 -0.00 -0.01 -0.03 0.03 0.02 -0.01 -0.04 0.01 -0.00 0.01 -0.00 0.17 -0.04 0.06 -0.02 -0.02 0.01 -0.01 -0.02 -0.01 -0.00 -0.03 0.09 0.05 0.13 -0.04 -0.01 0.01 -0.00 0.17 -0.22 0.06 -0.02 0.14 0.31 0.03 -0.03 0.03 -0.04 0.06 0.28 0.00 -0.00 -0.01 0.01 0.03 -0.01 0.13 0.11 0.22 -0.01 -0.01 -0.00 -0.05 -0.06 -0.04 -0.01 0.00 -0.01 -0.11 0.11 -0.02 0.35 0.30 0.30 0.12 -0.24 0.00 0.00 0.01 0.00 -0.08 -0.12 -0.03 0.01 -0.01 -0.00 -0.11 -0.12 -0.22 -0.01 -0.01 -0.01 0.12 0.17 0.22 0.01 -0.01 -0.02 0.00 -0.00 -0.01 -0.01 0.02 0.04 -0.03 0.02 -0.03 -0.00 -0.00 0.00 0.07 -0.07 -0.02 0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.14 -0.23 -0.22 0.01 0.06 -0.00 -0.00 0.02 -0.01 -0.04 -0.15 -0.01 -0.05 -0.02 0.06 -0.00 -0.00 -0.01 -0.03 0.06 0.06 0.08 -0.05 0.02 0.00 0.01 0.01 0.05 -0.01 -0.02 -0.04 -0.03 0.01 -0.01 -0.01 -0.00 0.05 -0.02 0.06 0.05 0.09 -0.03 -0.00 -0.00 -0.00 -0.10 0.12 -0.04 -0.02 0.11 0.20 0.02 -0.04 -0.01 -0.04 0.02 0.17 0.02 -0.01 -0.01 -0.02 -0.00 -0.02 -0.10 -0.06 -0.09 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.08 0.10 -0.01 -0.01 -0.01 -0.01 -0.02 0.04 -0.03 -0.02 -0.03 0.01 0.46 0.58 0.16 0.00 -0.00 -0.00 0.05 0.07 0.07 -0.01 -0.01 -0.00 0.10 0.14 0.18 0.01 -0.01 -0.02 0.00 -0.00 -0.00 -0.12 -0.02 0.08 0.06 0.04 -0.06 0.01 0.01 -0.00 0.01 0.04 -0.10 -0.11 -0.15 -0.00 0.00 -0.00 -0.00 -0.04 0.08 -0.00 -0.01 -0.03 0.03 -0.00 -0.00 -0.00 0.02 -0.02 -0.01 -0.03 0.08 0.07 0.00 0.00 0.00 -0.09 0.01 0.00 -0.03 -0.07 -0.09 0.00 -0.00 -0.01 -0.03 0.02 0.01 0.03 -0.02 0.01 -0.00 -0.02 -0.00 -0.19 0.03 0.01 0.02 0.11 -0.06 -0.01 -0.01 -0.01 0.10 -0.01 0.03 0.02 0.04 -0.02 0.01 -0.01 0.01 -0.10 0.12 -0.03 -0.05 0.18 0.10 -0.03 0.03 -0.02 -0.10 -0.07 0.16 -0.00 0.01 0.01 -0.02 0.03 -0.05 0.19 0.21 0.45 -0.01 0.01 -0.00 0.02 -0.00 0.04 -0.01 0.00 -0.02 0.27 -0.23 -0.01 0.08 0.08 0.05 0.04 -0.02 0.15 -0.01 -0.01 0.00 0.22 0.19 0.05 -0.01 -0.01 -0.01 0.06 0.13 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 0.05 0.02 -0.02 0.01 0.01 -0.01 0.00 0.01 -0.00 0.03 -0.01 -0.05 -0.05 -0.05 0.00 -0.00 0.00 0.00 0.01 -0.03 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.02 -0.02 0.01 0.02 -0.01 -0.05 0.00 0.01 -0.01 0.01 -0.10 -0.01 -0.07 -0.05 0.08 -0.00 0.00 0.00 0.03 -0.01 -0.01 0.06 0.02 0.00 -0.01 -0.01 -0.00 0.02 -0.01 0.05 0.02 0.04 -0.02 -0.00 -0.00 0.00 0.03 -0.00 0.00 0.01 0.01 -0.00 -0.02 0.02 -0.02 0.35 -0.44 0.10 0.01 -0.01 -0.00 0.08 -0.07 0.05 0.01 -0.05 -0.19 0.01 -0.01 -0.01 -0.03 -0.01 -0.03 0.00 0.03 0.08 -0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.07 -0.10 0.02 -0.02 -0.02 -0.04 0.05 -0.08 0.03 -0.00 0.01 0.00 -0.04 -0.11 -0.03 -0.00 -0.00 -0.00 0.05 0.09 0.08 0.01 0.01 0.00 -0.11 -0.18 -0.22 -0.02 0.02 0.04 0.02 0.01 -0.01 -0.39 -0.16 0.10 -0.14 -0.09 0.11 -0.00 0.00 0.01 0.10 -0.08 -0.07 0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.07 0.16 -0.00 0.00 -0.07 0.04 0.01 0.01 0.00 0.03 -0.11 -0.18 -0.03 0.00 0.07 0.00 0.00 0.01 -0.14 0.07 0.01 0.02 -0.05 -0.18 0.00 -0.01 -0.02 -0.06 0.08 0.07 -0.10 -0.08 0.02 0.01 -0.00 0.00 -0.20 0.05 -0.09 0.04 -0.00 0.02 0.01 0.01 0.00 -0.05 0.01 -0.03 -0.05 -0.05 0.02 -0.00 0.01 -0.01 0.08 -0.15 0.03 -0.01 0.01 -0.12 0.01 0.01 0.03 -0.00 0.15 0.52 0.01 -0.01 0.00 0.01 0.01 0.00 -0.01 0.02 0.08 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.09 0.03 -0.04 0.00 0.00 -0.00 0.02 -0.01 0.10 0.00 0.01 -0.00 -0.13 -0.17 -0.04 -0.00 -0.00 -0.00 0.06 0.09 0.09 -0.02 -0.01 -0.00 0.12 0.20 0.25 0.02 -0.03 -0.05 -0.02 -0.00 0.02 0.06 0.03 -0.01 0.48 0.18 -0.19 -0.00 -0.00 0.00 -0.02 0.01 0.03 0.03 0.03 -0.00 -0.00 0.00 0.00 0.01 -0.02 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.02 -0.00 -0.02 0.05 0.04 -0.02 -0.02 0.00 0.25 0.37 0.01 0.03 0.03 -0.05 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.00 0.01 -0.34 0.10 -0.16 0.05 -0.01 0.02 -0.01 -0.00 -0.01 0.14 -0.01 -0.01 0.03 -0.03 -0.01 -0.00 0.00 -0.00 0.04 -0.06 0.01 -0.02 -0.03 -0.25 -0.00 0.01 0.01 -0.03 0.00 0.13 -0.00 -0.00 -0.01 -0.03 -0.01 -0.02 0.03 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.03 0.00 -0.01 0.01 0.00 -0.00 0.03 -0.05 0.04 -0.01 -0.00 0.00 0.12 0.13 0.03 -0.00 0.00 0.00 -0.03 -0.04 -0.04 0.01 0.00 0.00 -0.05 -0.07 -0.09 -0.01 0.00 0.01 -0.01 -0.02 0.01 0.55 0.20 -0.17 -0.15 -0.02 0.02 -0.00 0.01 0.00 0.09 -0.06 -0.07 -0.02 -0.04 -0.00 -0.02 0.00 0.00 0.08 -0.20 -0.00 -0.01 0.08 -0.03 0.01 0.00 0.00 0.01 -0.06 -0.10 -0.02 0.02 0.07 -0.01 -0.01 0.01 0.11 0.30 0.02 0.01 -0.04 -0.12 0.01 -0.00 -0.01 -0.04 0.05 0.04 -0.13 -0.05 0.01 -0.01 0.00 -0.01 0.29 -0.08 0.12 -0.04 -0.01 -0.01 0.00 0.01 -0.00 -0.03 0.01 -0.03 -0.03 -0.07 0.02 0.00 0.00 0.00 -0.02 -0.02 0.00 -0.05 0.05 -0.17 0.00 0.00 0.01 -0.13 0.01 0.38 -0.01 -0.00 -0.01 0.08 0.00 0.08 0.08 0.07 0.14 -0.00 0.00 -0.01 0.02 -0.10 0.04 0.00 -0.02 0.00 -0.05 0.18 -0.06 0.16 0.13 0.08 -0.28 0.48 -0.04 0.01 -0.02 -0.01 -0.08 0.05 0.02 -0.00 -0.01 -0.00 -0.02 -0.01 -0.04 0.00 0.00 0.00 -0.04 -0.07 -0.08 -0.02 0.01 0.02 0.00 0.00 -0.00 -0.06 -0.03 0.01 -0.02 -0.01 0.02 0.02 -0.00 -0.01 -0.41 0.34 0.24 0.03 -0.03 -0.02 0.00 -0.00 0.00 -0.01 0.06 0.01 0.01 -0.00 -0.02 -0.00 0.00 -0.00 0.05 -0.05 -0.03 -0.01 0.07 0.04 0.00 -0.01 0.01 -0.00 0.12 0.01 -0.07 -0.13 -0.08 -0.00 -0.00 -0.00 -0.01 0.02 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.14 -0.04 0.06 -0.02 -0.01 -0.01 -0.01 0.00 0.00 0.25 -0.01 -0.03 -0.04 -0.03 0.01 -0.00 0.00 -0.00 0.03 -0.04 0.01 0.01 -0.05 -0.01 0.01 -0.01 0.00 0.04 0.08 0.12 -0.03 -0.01 -0.00 -0.03 -0.02 -0.02 0.04 0.00 -0.03 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.03 0.01 -0.01 -0.01 -0.01 -0.01 0.04 -0.05 0.03 -0.00 -0.00 0.00 0.12 0.13 0.03 -0.00 0.00 0.00 -0.04 -0.07 -0.06 -0.01 -0.00 -0.00 0.05 0.08 0.10 0.02 -0.01 -0.02 -0.00 0.01 -0.00 -0.35 -0.13 0.08 0.25 0.05 -0.05 -0.00 0.00 0.00 0.11 -0.09 -0.08 -0.03 -0.01 0.01 0.01 0.00 -0.00 -0.04 0.08 -0.01 0.00 -0.05 0.03 0.01 0.00 0.00 -0.01 -0.01 -0.04 -0.01 0.00 0.04 -0.01 -0.01 -0.00 0.22 0.24 0.01 0.02 0.04 0.03 -0.00 -0.00 0.00 0.02 -0.00 0.00 -0.12 0.00 -0.01 -0.01 0.01 -0.01 0.50 -0.14 0.21 -0.06 -0.03 -0.01 0.00 -0.00 -0.00 -0.10 0.00 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 0.09 -0.29 0.04 -0.00 0.00 0.00 0.24 0.26 -0.01 -0.00 0.00 0.00 0.08 0.12 0.01 -0.04 -0.05 -0.13 0.00 -0.00 0.00 -0.03 0.07 -0.03 -0.00 0.02 -0.01 0.06 -0.18 0.05 -0.06 -0.05 -0.01 0.25 -0.42 0.05 -0.01 -0.00 -0.00 0.04 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.02 0.02 0.00 -0.00 0.00 -0.05 -0.09 -0.10 -0.04 0.01 0.03 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.03 0.00 0.00 0.01 -0.00 -0.00 -0.16 0.13 0.10 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.03 0.03 0.10 -0.02 0.13 0.06 -0.01 0.01 -0.00 -0.01 -0.11 -0.01 -0.10 -0.07 0.05 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.13 0.01 0.00 -0.00 0.00 -0.00 0.12 -0.03 0.05 -0.01 -0.01 -0.00 -0.02 -0.00 0.00 0.66 -0.03 -0.04 -0.06 0.03 0.00 0.00 -0.00 0.00 -0.03 0.06 -0.01 0.02 -0.09 -0.14 -0.00 -0.00 -0.01 0.03 0.06 0.06 -0.01 -0.01 -0.01 -0.04 -0.05 -0.01 0.02 0.02 0.05 0.00 -0.00 -0.00 0.02 -0.00 0.01 0.00 -0.01 0.00 -0.03 0.11 -0.03 -0.03 -0.03 -0.03 -0.04 0.07 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.03 -0.05 -0.06 -0.02 0.01 0.01 0.01 0.00 -0.01 -0.03 -0.01 0.01 -0.12 -0.04 0.04 -0.01 -0.00 0.00 0.15 -0.12 -0.08 -0.00 0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.01 0.10 0.20 0.09 -0.10 -0.23 -0.02 -0.01 -0.00 0.19 0.22 0.01 0.13 0.16 0.01 -0.02 0.00 -0.00 -0.05 -0.01 -0.02 0.72 0.04 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.15 0.00 -0.03 0.01 -0.05 0.01 -0.01 -0.00 -0.00 0.07 0.02 -0.00 0.00 0.05 0.23 0.02 -0.04 -0.02 0.01 0.07 0.18 -0.01 -0.01 -0.01 0.04 0.06 0.00 -0.03 -0.02 -0.05 -0.00 -0.00 0.00 -0.01 0.02 -0.02 -0.01 0.01 -0.00 0.12 -0.08 -0.01 0.02 0.01 0.02 0.10 -0.16 0.09 -0.00 -0.00 -0.00 -0.01 -0.03 -0.01 -0.00 0.00 0.00 0.02 0.02 0.05 0.01 0.00 0.00 -0.03 -0.05 -0.06 -0.01 0.01 0.01 0.02 -0.00 -0.01 -0.05 -0.01 0.03 -0.23 -0.07 0.07 0.01 0.00 -0.00 -0.12 0.10 0.07 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.02 -0.05 -0.02 0.03 0.06 -0.01 -0.01 -0.01 0.37 0.42 0.01 -0.13 -0.14 0.05 0.01 0.00 0.00 0.02 -0.01 -0.00 -0.22 -0.00 -0.01 0.00 -0.00 0.00 -0.15 0.04 -0.07 0.02 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.02 -0.02 -0.08 0.02 0.00 -0.00 0.00 -0.03 0.01 -0.00 -0.01 0.18 0.54 -0.01 0.02 0.00 -0.01 -0.07 -0.18 -0.00 0.00 0.00 -0.06 -0.08 -0.01 0.05 0.05 0.13 0.00 0.01 0.00 0.02 -0.04 0.02 0.01 -0.01 0.01 -0.16 0.24 -0.04 -0.07 -0.06 -0.09 -0.08 0.13 -0.05 0.00 0.01 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.00 -0.02 0.01 -0.05 0.00 0.00 0.00 -0.04 -0.06 -0.07 -0.03 0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.02 0.02 -0.02 -0.00 0.00 0.24 -0.21 -0.13 -0.01 0.05 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.04 -0.05 -0.06 -0.07 0.14 0.18 -0.02 -0.01 -0.00 0.07 -0.04 -0.01 0.24 0.35 0.09 0.01 -0.00 0.00 0.03 -0.00 0.00 -0.35 -0.01 -0.01 0.00 -0.00 0.00 -0.04 0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.51 -0.03 -0.02 -0.05 0.05 -0.01 -0.00 0.00 -0.00 0.03 -0.09 0.02 -0.00 0.04 0.10 -0.00 0.02 0.02 -0.01 -0.06 -0.15 -0.00 -0.00 -0.00 0.06 0.05 0.04 0.10 0.10 0.25 0.01 0.01 0.01 0.03 0.00 0.03 0.02 -0.00 0.01 -0.37 0.51 -0.06 -0.28 -0.24 -0.27 0.18 -0.32 -0.02 0.00 -0.01 -0.00 -0.03 0.02 0.01 0.00 -0.02 -0.00 -0.04 0.01 -0.11 -0.00 0.00 -0.00 0.01 0.01 0.02 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.12 0.10 0.07 0.00 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.02 0.01 0.00 -0.04 -0.01 0.01 0.01 0.00 -0.01 0.01 0.00 -0.14 -0.17 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.14 0.01 0.01 0.01 -0.02 0.00 -0.01 0.00 -0.01 0.12 -0.15 0.03 -0.00 -0.00 -0.00 0.01 0.00 0.02 -0.00 0.00 0.01 0.01 0.03 -0.01 -0.02 0.03 -0.05 -0.12 -0.02 0.08 0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.02 -0.00 0.02 0.00 0.00 0.01 0.00 -0.00 0.00 -0.05 0.05 0.01 0.01 0.01 -0.01 0.02 -0.12 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 -0.02 0.00 0.02 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 0.03 -0.02 0.01 -0.01 -0.03 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.01 -0.13 -0.14 0.00 -0.22 0.13 0.03 0.02 -0.04 -0.24 0.12 0.56 -0.19 -0.45 0.14 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 0.15 -0.27 0.09 -0.01 -0.00 -0.02 -0.23 -0.19 0.06 -0.00 -0.00 -0.00 -0.01 0.01 -0.03 -0.08 -0.01 0.05 -0.00 -0.01 0.01 -0.04 0.11 -0.05 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.10 0.02 -0.13 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 0.02 0.01 0.00 0.01 -0.00 0.01 -0.08 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.13 0.06 -0.06 0.05 0.13 -0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.06 -0.00 -0.03 0.36 0.38 -0.01 0.59 -0.34 0.01 0.01 -0.02 -0.11 0.05 0.25 -0.08 -0.19 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.04 0.00 0.03 -0.01 -0.00 -0.01 -0.00 0.07 0.05 -0.01 -0.01 0.03 -0.01 0.01 0.03 0.08 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.01 0.01 0.04 -0.05 0.19 -0.48 0.24 0.00 0.01 -0.01 -0.00 -0.03 0.02 -0.43 -0.10 0.56 0.02 -0.03 0.03 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 0.01 -0.02 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.14 -0.04 0.10 -0.07 -0.14 0.10 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.02 0.00 -0.02 0.00 -0.01 0.11 0.12 -0.00 0.19 -0.11 0.00 0.00 -0.00 -0.02 0.01 0.05 -0.02 -0.04 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.06 -0.00 -0.04 0.01 0.00 0.00 0.00 -0.03 -0.01 -0.00 -0.02 0.03 -0.01 -0.01 -0.02 -0.04 0.03 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.02 -0.04 0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.04 -0.01 0.05 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.04 -0.03 -0.00 -0.25 0.54 -0.21 -0.46 0.04 0.24 0.00 0.00 0.01 -0.02 -0.08 -0.12 -0.06 0.08 -0.10 0.00 0.00 -0.00 0.01 -0.03 0.06 -0.04 -0.05 0.00 0.00 -0.00 0.01 -0.09 -0.01 -0.08 0.04 0.03 -0.09 0.00 -0.00 0.00 -0.03 0.01 -0.03 0.02 0.03 -0.02 -0.00 0.00 0.01 0.05 -0.01 0.00 0.01 -0.02 -0.06 -0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 -0.03 0.02 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.02 0.03 -0.06 0.03 -0.38 0.01 0.29 -0.05 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 0.01 -0.01 0.00 0.00 -0.00 0.04 -0.04 0.09 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.03 0.02 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.03 -0.00 0.01 -0.01 0.06 -0.09 -0.04 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.02 -0.04 0.02 0.04 -0.00 -0.02 -0.00 -0.00 -0.01 0.01 0.04 0.05 0.03 -0.04 0.04 0.01 0.05 -0.04 0.14 -0.34 0.66 -0.36 -0.46 0.00 -0.00 0.00 -0.01 0.11 0.03 0.08 -0.04 -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 0.02 -0.02 -0.00 0.02 0.02 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.05 0.01 -0.03 0.00 0.00 -0.00 0.01 -0.03 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.03 -0.01 0.03 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.05 -0.02 0.01 -0.01 -0.00 -0.04 0.10 -0.04 -0.09 0.01 0.06 -0.01 0.00 -0.03 0.04 0.19 0.26 0.16 -0.20 0.22 -0.01 -0.01 0.01 -0.04 0.07 -0.12 0.09 0.09 -0.01 -0.02 0.01 -0.05 0.47 0.06 0.40 -0.19 -0.15 0.45 0.00 -0.00 0.00 -0.04 0.01 -0.03 0.02 0.03 -0.03 -0.00 0.00 0.00 0.04 -0.02 -0.00 0.00 -0.02 -0.04 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 -0.04 0.01 0.03 -0.01 0.00 -0.01 0.01 -0.02 0.01 -0.17 0.00 0.13 -0.02 0.00 0.00 0.00 -0.01 -0.00 0.00 0.03 -0.07 0.02 -0.00 -0.01 -0.01 -0.05 -0.05 0.01 0.00 0.03 -0.01 -0.01 0.01 -0.02 0.49 0.07 -0.32 0.00 0.00 -0.00 0.02 -0.04 0.02 -0.00 0.00 0.00 0.03 0.01 -0.01 -0.04 -0.01 0.05 -0.00 -0.01 -0.03 0.00 -0.00 0.00 -0.02 0.02 0.01 -0.02 -0.03 0.03 -0.06 0.52 -0.23 -0.01 0.00 0.00 0.03 -0.07 0.03 0.06 -0.00 -0.03 -0.00 0.00 -0.00 -0.02 0.00 0.02 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.11 -0.01 -0.09 0.05 0.04 -0.11 0.00 -0.01 0.01 -0.09 0.03 -0.06 0.04 0.09 -0.06 -0.00 0.00 0.00 0.04 -0.02 -0.00 0.01 -0.01 -0.04 0.00 -0.01 -0.00 -0.01 0.05 0.05 0.00 0.07 -0.04 -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 0.01 -0.10 0.00 0.08 -0.01 -0.00 0.00 0.00 -0.02 0.00 -0.00 0.15 -0.28 0.09 0.01 -0.03 -0.02 -0.23 -0.19 0.06 0.00 0.00 -0.00 -0.01 0.02 -0.04 0.17 0.02 -0.11 -0.00 -0.01 0.01 -0.04 0.09 -0.05 0.00 -0.00 -0.00 -0.03 -0.01 0.01 0.09 0.03 -0.11 -0.00 0.02 0.03 0.00 -0.00 0.00 -0.04 0.03 0.01 -0.01 -0.01 0.01 -0.02 0.18 -0.08 0.02 -0.02 -0.00 -0.14 0.31 -0.12 -0.26 0.02 0.14 0.00 0.00 0.00 -0.01 -0.02 -0.03 -0.01 0.02 -0.02 -0.00 0.00 -0.00 0.01 -0.02 0.03 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.09 0.01 0.07 -0.04 -0.03 0.08 -0.01 0.02 -0.02 0.22 -0.08 0.17 -0.10 -0.22 0.16 0.01 -0.00 -0.01 -0.12 0.06 0.00 -0.02 0.04 0.14 0.00 -0.01 -0.00 -0.00 0.04 0.04 -0.00 0.07 -0.04 0.00 0.00 -0.00 -0.02 0.01 0.04 -0.01 -0.03 0.01 0.00 0.02 -0.03 0.02 -0.04 0.51 -0.01 -0.38 0.07 -0.00 -0.00 -0.00 0.04 0.04 -0.01 0.01 -0.02 -0.00 0.01 0.01 0.05 -0.02 -0.01 0.01 -0.01 -0.04 0.01 -0.06 0.08 -0.16 0.23 0.03 -0.15 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.05 -0.03 0.03 0.00 0.00 -0.00 0.01 0.01 0.07 0.01 -0.01 0.01 -0.17 0.12 0.06 -0.01 -0.02 0.01 -0.03 0.24 -0.11 -0.01 0.01 0.00 0.04 -0.09 0.04 0.07 -0.01 -0.04 0.01 -0.00 0.02 0.01 -0.09 -0.14 -0.10 0.10 -0.11 0.00 0.00 -0.00 0.01 -0.02 0.04 -0.01 -0.02 -0.00 -0.00 0.00 -0.01 0.12 0.01 0.10 -0.05 -0.04 0.12 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.07 -0.07 0.00 -0.10 0.05 0.01 0.01 -0.02 -0.13 0.04 0.27 -0.09 -0.20 0.06 -0.00 -0.01 0.01 -0.01 0.01 -0.12 0.00 0.09 -0.02 0.00 0.00 0.00 -0.03 -0.02 0.00 -0.22 0.42 -0.13 -0.00 -0.02 -0.03 0.34 0.28 -0.10 0.00 0.00 -0.00 -0.02 0.02 -0.05 -0.04 -0.01 0.02 0.00 0.01 -0.01 0.04 -0.10 0.05 0.00 0.00 -0.01 -0.09 -0.05 0.05 -0.10 -0.03 0.12 0.02 0.02 0.11 0.00 -0.00 0.00 -0.05 0.03 0.02 0.00 0.00 -0.00 0.00 -0.04 0.01 0.01 -0.01 0.00 -0.04 0.09 -0.04 -0.07 0.00 0.04 0.01 0.00 0.01 -0.03 -0.10 -0.14 -0.07 0.10 -0.11 -0.00 0.00 -0.00 0.01 -0.01 0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.09 0.01 0.08 -0.04 -0.03 0.09 0.01 -0.03 0.04 -0.41 0.14 -0.31 0.19 0.42 -0.29 0.01 -0.01 -0.01 -0.12 0.08 0.00 -0.02 0.03 0.14 -0.00 0.01 0.00 0.00 -0.04 -0.04 0.01 -0.06 0.04 -0.00 -0.00 0.00 0.02 -0.01 -0.05 0.01 0.04 -0.01 -0.00 0.01 -0.02 0.05 -0.02 0.30 -0.00 -0.23 0.04 0.01 0.01 0.01 -0.10 -0.08 0.02 0.02 -0.04 0.01 -0.02 -0.05 -0.12 -0.03 -0.02 0.02 -0.00 -0.01 0.00 -0.08 0.11 -0.21 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.02 -0.19 -0.10 0.10 -0.01 -0.00 0.01 0.02 0.05 0.23 0.02 -0.01 0.01 -0.23 0.15 0.08 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.03 0.07 -0.03 -0.06 0.01 0.05 -0.02 -0.00 -0.04 0.08 0.29 0.41 0.23 -0.30 0.33 0.00 0.00 -0.00 0.02 -0.04 0.06 -0.04 -0.04 0.01 0.01 -0.00 0.02 -0.22 -0.02 -0.19 0.09 0.08 -0.21 0.00 -0.00 0.00 -0.06 0.02 -0.04 0.03 0.06 -0.04 0.01 -0.01 -0.01 -0.08 0.07 0.00 -0.02 0.02 0.11 -0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 -0.03 0.02 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 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.06 0.11 -0.05 -0.00 -0.00 -0.01 0.09 0.07 -0.02 0.00 0.02 -0.01 -0.11 0.15 -0.30 -0.08 -0.01 0.04 -0.00 -0.00 0.00 -0.01 0.03 -0.01 0.01 0.00 -0.03 -0.29 -0.15 0.15 0.03 0.01 -0.03 0.03 0.09 0.35 0.03 -0.02 0.01 -0.34 0.21 0.12 0.01 0.01 -0.01 0.00 -0.09 0.02 -0.01 0.00 0.00 0.03 -0.07 0.03 0.06 -0.01 -0.04 0.01 0.00 0.02 -0.05 -0.14 -0.19 -0.10 0.14 -0.15 0.00 0.00 -0.00 0.02 -0.04 0.07 -0.03 -0.04 -0.00 -0.00 0.00 -0.01 0.09 0.01 0.07 -0.04 -0.03 0.09 -0.00 0.01 -0.01 0.11 -0.04 0.08 -0.05 -0.11 0.08 0.00 -0.00 -0.00 -0.01 0.05 -0.00 -0.01 -0.00 0.03 0.00 -0.00 -0.00 -0.00 0.03 0.03 -0.01 0.04 -0.02 -0.01 -0.01 0.01 0.08 -0.03 -0.17 0.05 0.14 -0.05 0.00 -0.01 0.01 -0.02 0.01 -0.16 0.00 0.11 -0.02 -0.01 -0.01 -0.01 0.08 0.07 -0.01 0.10 -0.20 0.07 0.02 0.05 0.10 -0.16 -0.13 0.05 0.00 -0.00 -0.00 0.08 -0.12 0.23 0.05 0.00 -0.04 -0.00 0.00 -0.01 0.03 -0.05 0.03 0.01 0.00 -0.02 -0.17 -0.07 0.08 -0.04 -0.01 0.06 0.01 0.05 0.19 -0.02 0.02 -0.01 0.25 -0.16 -0.09 -0.00 -0.00 0.00 -0.01 0.05 -0.03 -0.00 0.00 0.00 0.01 -0.02 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.03 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 0.01 -0.05 0.01 -0.05 0.02 0.05 -0.04 0.01 -0.01 -0.01 -0.20 0.17 0.01 -0.05 0.03 0.24 0.00 0.01 -0.00 0.01 -0.04 -0.05 -0.02 -0.09 0.05 0.00 0.00 -0.00 -0.03 0.01 0.05 -0.02 -0.05 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.08 0.00 0.05 -0.01 -0.03 -0.03 -0.02 0.39 0.34 -0.07 -0.01 0.03 -0.02 0.08 0.21 0.48 0.02 0.02 0.01 -0.00 -0.00 0.00 -0.08 0.12 -0.22 -0.02 -0.00 0.01 0.00 0.00 -0.01 0.03 -0.06 0.03 -0.01 -0.00 0.02 0.22 0.08 -0.10 -0.05 -0.01 0.07 -0.01 -0.07 -0.24 0.02 -0.01 0.01 -0.23 0.15 0.08 -0.00 0.00 -0.00 0.01 -0.02 0.02 0.00 -0.00 -0.00 -0.02 0.04 -0.02 -0.03 0.00 0.02 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.02 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.09 0.03 -0.07 0.04 0.09 -0.06 -0.02 0.02 0.02 0.29 -0.26 -0.01 0.07 -0.04 -0.36 0.00 0.01 -0.00 0.01 -0.03 -0.04 -0.02 -0.07 0.04 -0.00 -0.00 0.00 0.01 -0.01 -0.02 0.01 0.02 -0.01 -0.00 0.01 -0.01 0.01 -0.01 0.17 -0.00 -0.12 0.02 -0.02 -0.03 -0.02 0.31 0.26 -0.06 -0.01 0.02 0.00 0.06 0.16 0.37 0.02 0.01 -0.02 0.00 0.00 -0.00 -0.06 0.10 -0.19 -0.03 -0.00 0.02 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 -0.00 0.03 0.36 0.15 -0.18 -0.01 -0.00 0.02 -0.03 -0.12 -0.42 0.02 -0.01 0.01 -0.20 0.13 0.07 -0.00 0.00 -0.00 0.01 -0.03 0.04 -0.00 0.00 0.00 0.01 -0.03 0.01 0.02 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.03 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.03 -0.02 -0.02 -0.40 0.30 0.01 -0.08 0.06 0.45 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.05 0.01 0.04 -0.02 -0.00 -0.01 0.01 0.00 0.01 -0.13 0.00 0.09 -0.02 -0.00 -0.00 -0.00 0.04 0.04 -0.01 0.02 -0.03 -0.01 0.01 0.02 0.05 -0.03 -0.02 0.03 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.09 0.02 -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.02 0.03 -0.02 -0.00 -0.04 -0.04 -0.00 -0.00 -0.00 0.03 0.03 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.03 0.04 -0.02 -0.11 0.01 -0.05 0.00 -0.00 -0.02 0.01 -0.02 0.40 -0.07 0.06 -0.03 -0.00 0.01 0.03 0.00 -0.02 0.03 0.03 -0.22 -0.41 0.00 0.00 -0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.00 0.03 0.68 0.06 -0.00 -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 0.00 -0.26 -0.11 0.04 -0.02 -0.02 0.01 0.11 -0.11 0.04 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 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 0.02 -0.04 0.01 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.07 0.01 -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.02 -0.01 -0.00 -0.03 -0.03 -0.00 -0.00 -0.00 0.02 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.06 -0.08 0.04 0.06 -0.00 0.03 0.00 -0.00 -0.01 0.00 -0.01 0.20 -0.04 0.04 -0.02 0.00 -0.03 -0.05 0.00 0.03 -0.05 -0.05 0.40 0.74 -0.00 -0.00 0.00 0.01 0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 0.02 0.41 0.04 -0.00 -0.01 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.13 -0.06 0.02 0.05 0.03 -0.03 -0.06 0.06 -0.02 -0.04 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.03 0.04 -0.06 0.02 0.10 0.06 -0.02 0.00 -0.00 0.00 -0.01 0.02 -0.05 -0.00 0.00 0.00 0.03 -0.00 -0.02 -0.00 -0.00 0.00 0.04 0.01 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.06 -0.11 0.06 -0.00 0.10 0.08 0.00 0.00 0.00 -0.02 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.03 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 0.00 -0.02 0.00 -0.00 0.01 -0.01 0.01 -0.17 -0.03 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.07 -0.01 -0.02 0.00 0.10 0.34 -0.01 0.01 -0.02 -0.02 -0.00 -0.03 -0.00 0.02 0.41 0.04 -0.00 -0.01 -0.03 0.00 0.00 -0.00 -0.00 0.00 0.01 0.68 0.30 -0.10 -0.01 -0.01 0.01 -0.11 0.11 -0.03 0.00 -0.00 -0.00 0.03 -0.01 -0.02 -0.01 0.02 -0.01 -0.01 0.01 -0.00 -0.02 0.01 0.01 -0.01 -0.00 0.01 -0.03 -0.03 -0.07 0.14 -0.22 0.06 0.16 0.09 -0.03 -0.00 0.01 -0.01 0.02 -0.06 0.18 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.03 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 -0.01 -0.01 -0.03 -0.03 -0.01 0.47 0.47 0.16 -0.03 0.01 -0.05 -0.00 -0.00 0.01 0.07 0.03 -0.08 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.02 0.00 -0.01 0.00 -0.00 0.03 -0.01 0.02 -0.41 -0.05 0.04 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.02 -0.00 -0.12 -0.38 0.02 -0.01 0.02 0.03 -0.00 -0.01 -0.00 0.01 0.15 0.02 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.03 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.01 -0.02 0.02 -0.06 0.02 0.02 -0.03 0.01 0.03 -0.01 -0.03 0.01 0.01 -0.02 0.07 0.08 0.19 -0.27 0.43 -0.11 -0.27 -0.15 0.05 -0.00 0.00 -0.00 0.01 -0.02 0.07 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.03 0.02 -0.03 -0.03 -0.01 0.41 0.42 0.14 -0.03 0.01 -0.05 -0.00 -0.00 0.00 0.06 0.03 -0.06 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.04 -0.02 0.01 -0.00 0.01 0.00 -0.00 -0.02 0.01 -0.02 0.27 -0.09 0.07 -0.04 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.03 -0.00 -0.01 0.00 0.07 0.23 -0.01 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.01 -0.12 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.06 0.13 0.06 -0.02 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.04 -0.10 0.03 0.02 -0.03 0.01 0.04 -0.01 -0.03 -0.01 -0.00 -0.02 0.10 0.11 0.27 -0.31 0.49 -0.13 -0.03 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.00 0.01 -0.00 -0.09 0.01 0.04 -0.00 -0.00 0.00 0.05 0.01 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.18 -0.19 -0.06 0.01 -0.00 0.02 0.00 0.00 -0.00 -0.04 -0.02 0.04 0.01 0.00 0.00 -0.00 -0.00 0.00 0.03 0.04 -0.02 -0.02 -0.00 -0.01 0.00 -0.00 0.02 -0.01 0.02 -0.39 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.05 0.01 0.03 -0.00 -0.13 -0.43 0.01 -0.01 0.02 0.03 -0.00 -0.02 -0.00 0.01 0.25 0.03 -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.02 -0.07 0.05 0.02 -0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.04 -0.00 0.00 -0.01 0.00 0.01 0.02 -0.06 0.02 0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.02 0.03 0.07 -0.07 0.11 -0.03 0.17 0.09 -0.03 0.00 -0.00 0.01 -0.01 0.03 -0.10 -0.00 0.00 0.00 0.04 -0.00 -0.02 -0.01 -0.00 0.00 0.10 0.02 -0.07 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.08 0.14 -0.08 0.00 -0.15 -0.12 -0.00 -0.00 -0.00 0.05 0.05 0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.04 0.02 -0.05 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.01 -0.01 0.00 -0.01 -0.00 0.00 0.03 -0.01 0.02 -0.45 0.04 -0.04 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.07 -0.01 -0.03 0.00 0.16 0.54 -0.01 0.01 -0.03 -0.04 0.00 -0.00 -0.00 0.00 0.07 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.39 -0.16 0.06 -0.04 -0.03 0.02 -0.19 0.22 -0.07 -0.00 -0.00 0.00 0.02 -0.01 -0.01 0.18 -0.45 0.13 -0.01 0.02 -0.01 -0.03 0.01 0.02 -0.02 -0.02 -0.04 0.22 0.27 0.63 0.21 -0.33 0.08 0.04 0.02 -0.02 -0.00 -0.00 0.00 -0.01 0.02 -0.05 0.00 0.03 -0.01 -0.18 0.03 0.08 0.00 0.00 -0.00 -0.04 -0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 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 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.05 0.03 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.09 0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.04 0.02 0.01 -0.00 -0.06 -0.05 0.03 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.00 0.01 0.01 0.02 0.05 -0.08 0.02 -0.17 -0.09 0.03 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.04 -0.01 0.03 0.68 0.14 -0.49 -0.00 -0.07 0.05 0.00 0.02 0.02 -0.00 0.01 0.00 -0.00 -0.28 -0.24 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 -0.01 0.02 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.02 -0.02 0.01 0.16 -0.01 0.08 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.02 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.04 0.00 0.00 -0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.13 -0.02 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.13 0.06 -0.02 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.01 -0.00 -0.02 0.01 0.02 0.04 -0.11 0.03 0.01 -0.01 0.00 0.02 -0.01 -0.02 -0.04 -0.02 0.01 -0.03 -0.03 -0.04 -0.13 0.21 -0.05 0.65 0.35 -0.12 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.00 0.01 -0.00 -0.02 0.01 0.01 -0.01 -0.00 0.00 0.12 0.02 -0.08 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.04 0.07 -0.04 0.00 -0.02 -0.02 -0.00 -0.00 -0.00 0.03 0.03 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.15 0.08 -0.18 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.02 -0.01 0.06 -0.00 0.03 -0.01 0.01 -0.02 -0.00 -0.01 0.23 0.23 -0.18 0.07 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.11 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.06 0.11 0.05 -0.02 0.01 0.01 -0.00 0.19 -0.19 0.07 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.04 0.09 -0.03 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 -0.00 0.02 0.02 0.03 0.03 -0.05 0.01 -0.19 -0.10 0.03 0.00 -0.00 0.00 -0.00 0.01 -0.03 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.09 -0.02 0.07 0.00 0.01 -0.01 0.02 -0.03 0.02 -0.29 0.53 -0.30 0.01 -0.11 -0.08 0.01 0.01 0.00 -0.08 -0.08 -0.03 0.01 0.00 -0.00 -0.02 -0.01 0.03 0.36 0.19 -0.43 -0.07 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.06 -0.05 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.03 -0.10 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.06 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.04 0.19 0.07 -0.02 0.01 0.01 -0.00 -0.10 0.09 -0.03 -0.02 0.02 -0.01 0.00 -0.00 0.00 -0.24 0.60 -0.19 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.03 0.15 0.17 0.41 0.03 -0.05 0.01 0.03 0.01 -0.02 0.00 -0.00 0.01 -0.01 0.04 -0.12 0.01 -0.04 0.01 0.03 -0.02 -0.01 -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 -0.04 0.02 -0.00 0.04 0.03 -0.00 -0.00 -0.00 0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.12 0.04 -0.04 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.01 0.00 0.03 0.12 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.04 0.19 -0.03 -0.01 0.00 0.18 0.13 -0.10 0.27 -0.27 0.09 0.03 -0.03 0.01 0.02 -0.01 -0.02 -0.12 0.31 -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.07 0.09 0.22 -0.01 0.01 -0.00 0.22 0.12 -0.05 -0.00 0.01 -0.02 0.03 -0.11 0.33 0.01 -0.02 0.01 0.04 -0.01 -0.02 0.00 0.00 -0.00 -0.02 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.03 -0.05 0.03 -0.00 -0.07 -0.06 0.00 0.00 0.00 -0.02 -0.02 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.08 -0.04 0.09 0.01 0.00 0.00 -0.00 -0.00 0.00 0.04 0.05 -0.03 -0.03 0.00 -0.01 -0.00 0.00 -0.02 0.00 -0.02 0.28 0.05 -0.04 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 -0.07 0.00 0.01 -0.00 -0.04 -0.14 0.00 -0.01 0.01 0.02 0.00 0.00 0.00 -0.00 -0.07 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.02 0.09 0.03 -0.00 -0.00 -0.01 -0.01 0.01 -0.47 0.47 -0.16 -0.02 0.01 -0.00 0.03 -0.01 -0.04 0.02 -0.06 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.04 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.03 0.06 -0.18 0.54 -0.01 0.01 0.00 0.12 -0.02 -0.06 0.01 0.00 -0.01 -0.18 -0.04 0.13 0.00 0.01 -0.01 0.01 0.01 0.03 -0.10 0.19 -0.10 0.00 -0.40 -0.33 0.00 0.00 0.00 -0.05 -0.05 -0.02 0.00 -0.00 0.01 0.01 0.01 -0.02 -0.20 -0.10 0.23 0.03 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.07 0.00 -0.03 0.00 -0.00 0.01 -0.00 0.00 -0.07 -0.05 0.04 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.04 -0.00 -0.01 0.00 0.04 0.15 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.10 0.05 -0.01 0.03 0.02 -0.02 0.22 -0.22 0.07 0.00 0.01 -0.00 0.04 -0.02 -0.05 0.02 -0.05 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.01 0.03 0.02 -0.03 0.01 -0.13 -0.07 0.02 -0.01 0.01 -0.04 0.06 -0.20 0.61 -0.01 0.00 0.00 0.15 -0.02 -0.07 -0.01 -0.00 0.01 0.16 0.04 -0.12 -0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.05 -0.09 0.04 -0.00 0.39 0.33 0.01 0.01 0.00 -0.11 -0.10 -0.04 0.01 -0.00 0.01 -0.01 -0.01 0.01 0.18 0.10 -0.22 -0.03 -0.01 -0.01 -0.00 0.00 -0.00 -0.03 -0.04 0.02 0.08 -0.00 0.04 -0.01 0.01 0.00 -0.01 0.01 -0.10 0.11 -0.09 0.04 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.04 0.14 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.04 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.12 -0.05 0.02 -0.01 -0.01 0.01 0.06 -0.05 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.02 -0.02 0.03 -0.01 0.12 0.06 -0.02 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 0.11 0.03 -0.08 -0.00 0.00 0.00 0.02 -0.05 -0.00 -0.27 0.47 -0.28 0.00 0.35 0.31 -0.00 -0.00 -0.00 0.02 0.02 0.01 -0.00 -0.00 0.00 0.02 0.01 -0.02 -0.29 -0.15 0.34 0.03 0.01 0.00 -0.01 0.01 -0.01 -0.07 -0.09 0.04 0.22 -0.01 0.10 0.01 -0.01 0.00 0.01 -0.01 0.03 -0.20 0.16 -0.07 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.02 0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 0.09 -0.03 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.04 0.05 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.04 -0.01 -0.02 0.01 0.00 -0.01 -0.16 -0.04 0.12 0.00 0.01 -0.01 -0.00 0.01 0.00 0.06 -0.10 0.06 -0.00 -0.13 -0.11 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.07 0.03 -0.08 -0.01 -0.00 -0.00 -0.01 0.03 -0.03 -0.38 -0.46 0.24 0.57 -0.03 0.27 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.02 0.01 -0.06 -0.13 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.10 0.01 0.00 -0.00 0.01 0.00 0.00 0.01 0.01 -0.04 -0.17 0.00 0.00 -0.00 -0.05 -0.03 0.03 -0.02 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.02 0.00 -0.01 0.00 -0.19 -0.10 0.04 0.00 -0.00 0.00 -0.01 0.02 -0.07 -0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.06 0.10 -0.06 0.00 0.03 0.03 -0.01 -0.01 -0.00 0.11 0.12 0.04 0.00 -0.01 0.01 0.01 0.01 -0.02 -0.20 -0.10 0.24 0.04 0.01 0.01 0.02 0.01 -0.00 -0.11 -0.14 0.08 -0.13 0.01 -0.07 -0.04 0.03 -0.01 -0.02 0.01 -0.00 0.63 -0.51 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 -0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.10 0.01 -0.00 -0.01 -0.02 0.00 0.00 0.01 0.01 -0.03 -0.12 0.02 0.01 -0.00 -0.04 -0.03 0.03 -0.02 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.05 -0.13 0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.02 -0.02 -0.06 0.01 -0.01 0.00 -0.08 -0.04 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.03 0.01 0.01 -0.01 -0.14 0.02 0.07 0.01 0.00 -0.00 -0.10 -0.02 0.08 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 -0.02 -0.00 -0.00 -0.00 0.02 0.03 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 -0.02 0.05 0.01 0.00 0.00 -0.05 -0.02 -0.00 0.27 0.35 -0.20 0.55 -0.05 0.27 -0.01 0.01 -0.00 -0.00 0.00 -0.01 0.18 -0.15 0.06 -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 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.12 0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.03 0.09 0.42 0.00 0.00 -0.00 0.13 0.10 -0.08 -0.02 0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.05 0.11 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.03 0.04 0.10 0.05 -0.08 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.04 -0.11 -0.02 -0.00 0.02 0.44 -0.07 -0.21 0.00 0.00 -0.00 -0.03 -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -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 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.03 -0.02 0.00 0.23 0.30 -0.16 0.19 -0.02 0.10 -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 -0.01 0.00 -0.00 0.03 0.07 0.00 0.00 0.00 -0.02 -0.06 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.03 0.00 0.00 -0.00 0.01 0.03 0.02 0.01 0.03 -0.07 -0.34 0.01 0.01 -0.00 -0.43 -0.32 0.24 0.05 -0.06 0.02 0.00 -0.00 0.00 -0.01 0.01 0.01 0.08 -0.23 0.08 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.03 0.03 0.07 -0.02 0.03 -0.01 0.02 0.01 -0.01 0.00 -0.00 0.01 -0.02 0.05 -0.15 -0.05 0.02 0.02 0.70 -0.10 -0.35 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -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 -0.09 0.05 -0.04 0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.04 0.00 0.01 0.00 -0.03 -0.12 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.01 -0.02 0.06 0.28 0.01 0.00 -0.00 0.28 0.21 -0.16 -0.05 0.05 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.06 0.09 -0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.14 -0.18 0.09 -0.09 0.01 -0.05 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 -0.02 0.01 -0.00 0.02 0.05 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.06 -0.02 0.17 0.69 0.01 0.00 -0.00 -0.46 -0.35 0.23 0.06 -0.06 0.02 0.00 0.00 0.00 0.73 -0.42 -0.52 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 -0.02 -0.01 0.02 -0.00 0.02 0.02 -0.00 -0.04 0.02 0.04 -0.03 0.04 -0.06 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.01 0.01 -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 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.02 -0.02 0.01 0.00 0.08 -0.43 0.25 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.05 0.00 0.05 -0.02 0.07 0.18 0.83 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.03 0.07 -0.01 -0.04 -0.14 0.73 -0.42 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.00 0.02 -0.01 0.04 0.11 0.50 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.02 -0.00 -0.09 0.06 -0.21 -0.06 -0.01 -0.02 0.03 0.02 -0.07 0.86 0.17 0.40 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 0.04 -0.05 -0.00 -0.70 0.71 -0.00 0.04 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.01 -0.02 0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.05 0.01 0.04 0.71 -0.10 -0.69 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.06 0.03 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -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 0.03 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.01 -0.05 0.04 0.05 -0.01 0.36 -0.23 0.87 -0.01 -0.00 -0.00 0.02 0.01 -0.03 0.21 0.04 0.10 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 0.02 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.03 -0.05 0.03 0.06 -0.02 -0.28 0.43 0.85 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 5826.47175 7188.25023 9460.10097 0.99992 -0.01212 0.00256 0.01212 0.99993 3.1E-4 -0.00256 -2.8E-4 1.0 asymmetric 1 0.01487 0.01205 0.00916 0.30975 0.25107 0.19077 972854.9 24.76 46.85 54.87 61.20 68.68 70.28 77.36 81.68 91.95 95.78 97.16 101.05 104.20 108.47 118.42 139.21 160.57 213.13 228.16 231.83 241.53 246.81 258.59 265.46 266.19 280.16 292.85 301.12 305.08 308.90 316.28 318.67 326.62 333.33 335.33 342.80 343.42 353.00 363.88 365.24 372.82 389.41 394.73 428.91 438.48 471.14 591.50 603.90 610.48 637.18 659.40 660.59 694.07 706.03 727.67 744.92 773.85 806.62 817.05 854.01 861.83 883.45 892.67 923.04 928.66 949.05 954.81 983.49 993.69 1009.63 1040.48 1041.79 1051.30 1076.46 1087.57 1132.07 1139.57 1177.60 1194.86 1224.81 1266.47 1284.15 1294.01 1324.87 2282.07 2297.02 2308.86 2319.72 2321.57 2327.65 2337.45 2340.52 2349.27 2356.63 2358.98 2362.72 2378.12 2380.25 2392.31 4670.92 4692.80 4724.69 4769.10 4777.35 4796.12 4856.75 4894.81 4917.41 4940.47 4956.00 4965.97 4982.40 4997.29 4998.98 5023.64 5037.62 5066.72 5075.55 5093.64 5111.13 5128.66 5403.05 5505.55 5508.24 5508.74 5512.14 5512.81 5513.26 5520.19 0.370541 0.408235 0.409179 0.300661 -1146.857245 -1146.819550 -1146.818606 -1146.927124 256.171 128.362 228.395 0.000 0.000 0.000 0.889 2.981 42.680 0.889 2.981 34.337 254.394 122.400 151.378 1 0.593 1.986 6.932 2 0.594 1.983 5.667 3 0.594 1.982 5.354 4 0.595 1.980 5.137 5 0.595 1.978 4.909 6 0.595 1.978 4.863 7 0.596 1.976 4.674 8 0.596 1.975 4.567 9 0.597 1.972 4.333 10 0.598 1.970 4.252 11 0.598 1.970 4.224 12 0.598 1.968 4.147 13 0.599 1.967 4.086 14 0.599 1.965 4.007 15 0.600 1.961 3.835 16 0.603 1.951 3.519 17 0.607 1.940 3.241 18 0.618 1.905 2.696 19 0.621 1.893 2.567 20 0.622 1.890 2.536 21 0.625 1.882 2.459 22 0.626 1.878 2.419 23 0.629 1.867 2.331 24 0.631 1.861 2.282 25 0.631 1.860 2.277 26 0.635 1.847 2.182 27 0.639 1.835 2.101 28 0.642 1.827 2.050 29 0.643 1.823 2.026 30 0.645 1.819 2.003 31 0.647 1.811 1.961 32 0.648 1.808 1.947 33 0.651 1.800 1.902 34 0.653 1.793 1.866 35 0.654 1.790 1.855 36 0.656 1.782 1.816 37 0.657 1.781 1.813 38 0.660 1.770 1.764 39 0.664 1.758 1.710 40 0.665 1.756 1.704 41 0.668 1.747 1.668 42 0.674 1.727 1.592 43 0.677 1.721 1.569 44 0.691 1.677 1.427 45 0.696 1.665 1.391 46 0.711 1.621 1.273 47 0.775 1.446 0.923 48 0.782 1.427 0.893 49 0.786 1.417 0.877 50 0.802 1.377 0.818 51 0.816 1.343 0.771 52 0.817 1.341 0.769 53 0.839 1.289 0.704 54 0.847 1.271 0.682 55 0.861 1.237 0.644 56 0.873 1.211 0.615 57 0.893 1.166 0.570 58 0.916 1.116 0.523 59 0.924 1.101 0.508 60 0.951 1.045 0.461 61 0.957 1.034 0.451 62 0.973 1.002 0.426 63 0.980 0.989 0.416 0.138771e+33 32.142298 74.010376 0.111586e+18 17.047608 39.253568 0.100000e+01 0.000000 0.000000 0.174535e+09 8.241882 18.977634 0.712538e+07 6.852808 15.779173 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.1916 -4.2131 -5.1697 8.4515 -122.1649 -110.8930 -85.5918 -15.3801 7.4238 0.5426 -15.9483 -4.6764 20.6247 -15.3801 7.4238 0.5426 -90.7414 -100.7453 -32.7616 -58.2921 0.5643 -132.3338 -1.1598 -12.0866 34.2106 10.5540 -3524.3253 -2862.6183 -1013.4244 -323.2366 -106.8109 77.9447 -26.8599 108.6120 76.1918 -1210.4002 -802.1883 -451.1939 -83.0850 47.3675 -128.8812 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.2277856 9.566E-10 1.587E-5 0.3705409 0.4082352 -1146.8195504 -1146.8186062 -1146.9271242 -7.0202914,-7.5290327,14.549324,-12.7306476,0.2121024,-5.8603848 C01 [X(H30O15)] -1.4608422 -1.4185178 -2.6286845 -1.319725 -0.0289324 -0.0531029 -0.046689 -1.1509251 -0.0158856 -0.0620365 -0.0087849 -1.1797215 0.449862 -0.0423196 -0.0183669 -0.0052124 0.4401561 0.0235434 -0.0780461 0.0497274 0.4064295 0.5806678 -0.3162959 0.0078282 -0.2835953 0.7618919 0.0456014 -0.0008437 0.0599974 0.4209589 -1.0279521 0.1011377 -0.0188302 0.1517898 -1.0693057 -0.1101716 -0.047696 -0.0817963 -0.9727668 0.3880794 0.0098048 0.0197838 -0.0409611 0.3363921 0.0739937 0.0509848 0.0477142 0.3653014 -1.2642625 0.0854506 -0.0919049 0.0930601 -1.1475641 -0.1525333 -0.0867609 -0.1338653 -1.0773101 0.4239594 -0.0106478 0.1587985 -0.0222838 0.4086678 0.1093286 0.1334349 0.0805885 0.9618438 0.7977869 -0.3862817 -0.0265762 -0.3770294 0.6665969 0.096234 -0.0268369 0.0963173 0.3822398 0.7404774 0.3005251 0.0599578 0.2969871 0.680186 0.0519021 0.0889912 0.0699376 0.3588026 -0.8747739 -0.158046 -0.1141842 -0.1525705 -0.994232 0.0052912 -0.0965911 -0.0218786 -1.0875647 0.3552226 0.0091916 0.0222809 -0.0206569 0.5709448 -0.2516187 0.0680335 -0.2622324 0.7904966 -1.160952 0.1347569 -0.0319541 0.1558482 -0.9534972 -0.0903619 -0.0226632 -0.0943781 -1.1799762 0.8690977 0.0739788 -0.1019247 0.0390239 0.3577767 0.0163516 -0.0989483 0.0088578 0.4460734 -0.8704905 -0.2033728 0.1383183 -0.1786952 -0.925171 -0.087504 0.1332563 -0.0746901 -1.0691736 0.6887877 0.2857256 -0.1683726 0.3195518 0.5776315 -0.1437429 -0.1937313 -0.1388786 0.5118999 0.3250849 0.0932107 0.0058231 0.0380436 0.3423291 0.0302174 0.0244349 0.0142935 0.4165994 -1.2186427 -0.0084794 0.0225236 0.0151962 -1.2178295 -0.1167915 0.0025171 -0.1321635 -0.9080991 0.5933491 -0.2406887 0.0713209 -0.2550038 0.7801528 -0.1337625 0.0507966 -0.1064125 0.3655166 0.4463333 -0.0872593 -0.1764651 -0.0758399 0.6084892 0.2953959 -0.1416772 0.2632377 0.6891486 -1.2226794 -0.0768633 -0.0403616 -0.1082521 -0.9805152 -0.1382779 -0.0326707 -0.0965682 -0.8950936 0.7045457 0.2510994 0.2353953 0.2452647 0.5771195 0.2622892 0.2535948 0.2863014 0.58003 0.4037038 -0.021215 -0.0099675 0.0036861 0.3154808 0.0786216 -0.0205344 0.0238414 0.3715553 -0.9676035 0.0226761 0.12415 0.0202764 -1.123197 0.0872258 0.1519982 0.0974085 -0.7275998 0.6117492 0.2421782 -0.2175445 0.2284025 0.6453652 -0.1640354 -0.2059459 -0.1490363 0.4697234 0.374955 -0.0245575 -0.0395703 0.0009512 0.4042404 0.0419121 -0.0865162 0.0172577 0.3076597 -1.0959212 -0.1183242 0.0211708 -0.1321257 -0.9461919 -0.0753228 0.0091396 -0.0750958 -1.1877049 0.4984348 0.246163 -0.044768 0.2123633 0.7892461 0.0054051 -0.0297457 0.015432 0.379118 0.8256494 -0.0167702 0.2267119 0.0150028 0.3606303 0.0544921 0.2213463 0.0256558 0.5066468 -1.0593759 0.0062734 -0.0782331 -0.0208382 -1.3369128 -0.0142814 -0.0923932 0.0066586 -1.1552701 0.3568222 0.0250239 0.0351351 0.0378768 0.4901926 -0.2686276 -0.0135902 -0.2478018 1.0125999 0.7444949 -0.2694334 0.0561136 -0.2732367 0.5919802 -0.0269567 0.1139004 -0.0650715 0.3620424 -1.1389549 -0.0473916 0.0619594 -0.0437635 -0.8296728 -0.0277017 0.0529514 0.0127212 -1.1736853 0.4037036 0.0349078 0.0051586 0.0244855 0.294142 0.0251433 0.0193393 -0.0397184 0.3937932 0.4413316 0.021429 -0.163811 0.0317598 0.3218284 0.0048868 -0.1704969 0.0337754 1.1441538 -1.0192078 0.0254815 -0.0593547 0.04386 -1.1402443 -0.065942 -0.0632117 -0.0250033 -0.9033446 0.3790168 -0.0419871 0.0218978 -0.0218256 1.0258443 0.2699007 0.0292182 0.2816996 0.4375027 0.393733 -0.0157164 0.0579638 -0.0448047 0.3575134 0.0725377 0.044382 0.017354 0.3406369 -1.192047 -0.0579935 0.0147445 -0.0633005 -1.1100295 -0.2142841 0.0003323 -0.167043 -0.8421028 0.4172203 -0.1124595 -0.060201 -0.1048317 0.9716776 0.3596322 -0.0540507 0.3878085 0.5328717 0.4123475 0.0048019 -0.0094857 0.0021426 0.3530596 0.0766963 0.001138 0.0198715 0.3279008 -1.0207727 0.0727697 0.0684289 0.0760993 -1.1326201 0.0873915 0.0769609 0.0946594 -0.9795529 0.406017 -0.0299422 -0.060929 -0.0295338 0.380326 -0.1125536 -0.0217531 -0.0622146 0.8343201 0.9593348 0.3748 0.1229525 0.3292179 0.4929063 0.0650992 0.1268965 0.0707042 0.449525 0.5830046 0.2210291 -0.0044961 0.2146062 0.6857489 -0.0091853 -0.0410776 -0.0641578 0.3664517 0.8785885 -0.327437 0.0319875 -0.2944458 0.4693917 -0.0195525 0.0341702 -0.0350297 0.407124 170.8205342|0.038515|169.6958798|-0.315308|1.2088573|166.1645991 -0.000008761 -0.000023404 -0.000033888 -0.000010849 0.000002540 -0.000008031 -0.000002496 -0.000007451 -0.000016404 0.000020322 -0.000001391 -0.000026048 0.000001031 0.000001289 0.000013119 -0.000000817 -0.000016298 -0.000011184 0.000012784 -0.000018056 -0.000004594 -0.000004924 -0.000000152 0.000006486 0.000031340 0.000034331 -0.000009508 0.000020753 0.000008412 0.000016394 0.000007292 0.000010455 -0.000004653 -0.000017767 0.000009043 0.000009964 0.000018338 -0.000001775 0.000018875 0.000011986 0.000013610 -0.000017440 -0.000031499 -0.000024694 0.000010809 -0.000004936 0.000008252 0.000007509 0.000001438 -0.000005762 -0.000014603 0.000004963 0.000001269 -0.000001023 -0.000011986 -0.000003728 0.000002612 -0.000005173 0.000002292 0.000033921 0.000003153 -0.000008448 -0.000032226 0.000018645 -0.000003593 -0.000014813 0.000008199 0.000029558 -0.000048952 -0.000014777 -0.000008259 0.000011694 0.000004332 -0.000003827 0.000020376 -0.000007733 0.000004217 0.000024805 -0.000002455 0.000002236 0.000003999 0.000013202 0.000000612 0.000004051 0.000020202 -0.000018333 0.000046248 -0.000026412 -0.000007671 -0.000011338 -0.000010252 0.000010261 -0.000015964 0.000004171 -0.000003906 0.000011677 -0.000008761 -0.000004474 0.000000604 0.000000123 -0.000022520 -0.000022969 -0.000036410 -0.000001896 -0.000016585 0.000019518 0.000020685 0.000031300 0.000012389 -0.000000079 0.000003377 -0.000008055 0.000018890 0.000002810 0.000008576 -0.000012863 -0.000023117 0.000003955 -0.000005186 0.000001856 0.000010279 0.000001215 -0.000001025 -0.000026599 -0.000027317 0.000019660 -0.000012161 0.000009577 0.000002307 0.000003184 0.000014234 0.000008495 -0.000007351 0.000028104 0.000021415 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:-.5818,-.6271,1.3902;-.2418,3.4024,-.4068;2.5773,1.618,1.7829;3.5842,.2689,-1.167;4.3153,.5106,-1.7487;1.6045,2.1808,-1.0332;1.7484,2.3289,-.0711;2.9244,1.0001,-1.23;.8736,1.5251,-1.0853;-1.0723,3.5273,.0766;-.9518,2.9941,.8922;2.0812,2.4609,1.6985;1.1787,2.2704,2.0229;-2.1764,-3.5285,-1.3329;-1.3991,-3.0763,-1.7307;-1.8533,-4.3973,-1.064;-2.8526,-2.0549,.937;-3.4052,-1.3032,.6319;-2.6405,-2.5704,.1293;-2.7,1.8317,-1.3108;-2.2015,2.5409,-.8368;-3.0348,2.2296,-2.1238;-4.3392,.1743,.1883;-3.7925,.7801,-.3571;-5.1012,-.0417,-.3632;2.4419,-2.2863,-1.0558;2.8429,-1.4016,-1.1812;1.6083,-2.2655,-1.5695;-.4017,.2739,-1.1856;-.4584,-.0305,-.2477;-1.2416,.7521,-1.3466;1.7652,-2.0385,1.5589;1.8705,-2.8709,2.0357;1.9957,-2.2276,.6139;-.6005,1.9171,2.2865;-.6595,.9603,2.052;-1.0242,2.018,3.1472;-.0348,-2.1207,-2.3603;-.2182,-1.2068,-2.0249;-.0038,-2.0496,-3.3226;3.5867,.11,1.6497;3.7287,.1554,.6831;-1.3729,-1.2109,1.2941;2.9795,-.6486,1.7582;.2023,-1.204,1.5203; 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:-.5818,-.6271,1.3902;-.2418,3.4024,-.4068;2.5774,1.618,1.7829;3.5842,.2689,-1.167;4.3153,.5106,-1.7487;1.6045,2.1808,-1.0332;1.7484,2.3289,-.0711;2.9244,1.0001,-1.23;.8736,1.5251,-1.0853;-1.0723,3.5273,.0766;-.9518,2.9941,.8922;2.0812,2.4609,1.6985;1.1787,2.2704,2.0229;-2.1764,-3.5285,-1.3329;-1.3991,-3.0763,-1.7307;-1.8533,-4.3972,-1.064;-2.8526,-2.0549,.937;-3.4052,-1.3032,.6319;-2.6405,-2.5704,.1293;-2.7,1.8317,-1.3108;-2.2015,2.5409,-.8368;-3.0348,2.2296,-2.1238;-4.3392,.1743,.1883;-3.7925,.7801,-.3571;-5.1012,-.0417,-.3632;2.4419,-2.2863,-1.0558;2.8429,-1.4016,-1.1812;1.6083,-2.2655,-1.5695;-.4017,.2739,-1.1856;-.4584,-.0305,-.2477;-1.2416,.7521,-1.3466;1.7652,-2.0385,1.5589;1.8705,-2.8709,2.0357;1.9957,-2.2276,.6139;-.6005,1.9171,2.2865;-.6595,.9603,2.052;-1.0242,2.018,3.1472;-.0348,-2.1207,-2.3603;-.2182,-1.2068,-2.0249;-.0038,-2.0496,-3.3226;3.5867,.11,1.6497;3.7287,.1554,.6831;-1.3729,-1.2109,1.2941;2.9795,-.6486,1.7582;.2023,-1.204,1.5203; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF777/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/ CONF777 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 1441.6148831054 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) -0.0478026670 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 4.425115 0.000000 3.895494 3.990836 0.000000 4.969676 5.003558 3.396456 0.000000 5.926915 5.561515 4.088907 0.965015 0.000000 4.305505 2.300811 3.032105 2.755466 3.263381 0.000000 4.037727 2.286065 2.151785 2.968965 3.564995 0.983930 0.000000 4.669751 4.058792 3.095200 0.986928 1.563070 1.781820 2.119361 0.000000 3.588658 2.286697 3.337429 2.988672 3.648869 0.983359 1.562036 2.121841 0.000000 4.384750 0.968986 4.458443 5.817870 6.438837 3.195357 3.068334 4.905915 3.024203 0.000000 3.673989 1.535543 3.891249 5.678209 6.394020 3.301970 2.943008 4.848119 3.066023 0.981897 0.000000 4.089329 3.273372 0.981772 3.908350 4.547317 2.787059 1.805499 3.379554 3.175512 3.703070 3.183278 0.000000 3.448933 3.033553 1.561893 4.468552 5.211518 3.086882 2.170926 3.904181 3.210858 3.230356 2.518140 0.977785 0.000000 4.286678 7.255108 7.667593 6.901574 7.656909 6.854264 7.162686 6.821706 5.907770 7.279406 6.999580 7.949143 7.492938 0.000000 4.050479 6.713022 7.084743 6.028347 6.746817 6.094672 6.471176 5.963156 5.172399 6.854228 6.627868 7.384593 7.022887 0.983343 0.000000 4.674808 7.991431 7.994922 7.165883 7.912449 7.431588 7.694068 7.210036 6.519989 8.044255 7.698790 8.375343 7.948541 0.965120 1.547849 0.000000 2.720389 6.197049 6.609837 7.159559 8.072979 6.456685 6.434500 6.884919 5.548914 5.922072 5.395120 6.731628 6.011522 2.789442 3.205090 3.238733 0.000000 3.000615 5.764367 6.756393 7.386418 8.280244 6.325195 6.343933 6.988206 5.408878 5.393019 4.955164 6.738441 5.976380 3.212805 3.570736 3.854574 0.981558 0.000000 3.099136 6.458751 6.892256 6.963393 7.835937 6.476568 6.580703 6.750092 5.531481 6.296425 5.864971 7.076113 6.450225 1.808600 2.292698 2.319656 0.981436 1.563130 0.000000 4.222376 3.054011 6.121096 6.477286 7.152043 4.327629 4.644619 5.686143 3.593859 2.729339 3.043127 5.684365 5.133256 5.385749 5.094805 6.291106 4.492382 3.754861 4.632120 0.000000 4.197593 2.183424 5.527432 6.224633 6.886381 3.828092 4.029017 5.366898 3.248091 1.755641 2.180959 4.977528 4.435844 6.089682 5.744187 6.950630 4.969079 4.287564 5.220371 0.988014 0.000000 5.150377 3.481997 6.865346 6.969316 7.557716 4.766060 5.205978 6.149979 4.104919 3.221339 3.744275 6.390378 5.911856 5.875154 5.566134 6.814243 5.268603 4.495721 5.317156 0.965052 1.564501 0.000000 4.025571 5.250089 7.243359 8.039094 8.874999 6.391146 6.462881 7.446721 5.533585 4.682757 4.463378 6.980783 6.181154 4.549972 4.784678 5.352302 2.782026 1.803359 3.228439 2.771548 3.349902 3.357347 0.000000 3.916938 4.414336 6.771816 7.438671 8.230771 5.616720 5.760422 6.776962 4.781023 3.890378 3.812165 6.446054 5.709507 4.703994 4.742009 5.573609 3.255026 2.338425 3.576301 1.791364 2.421168 2.407559 0.981532 0.000000 4.882806 5.956221 8.143700 8.728011 9.533806 7.096108 7.254046 8.139140 6.218837 5.400272 5.292402 7.880349 7.104608 4.653155 4.978323 5.478165 3.286213 2.336194 3.562573 3.189520 3.911813 3.539534 0.965064 1.545267 0.000000 4.228286 6.323303 4.829072 2.801054 3.436849 4.544921 4.769683 3.326103 4.121467 6.886940 6.572177 5.500193 5.642441 4.790427 3.979024 4.785916 5.661851 6.164666 5.226434 6.592584 6.701553 7.178254 7.320229 6.982738 7.900314 0.000000 4.352052 5.761400 4.239629 1.827643 2.479211 3.793318 4.043102 2.403556 3.528851 6.419163 6.166072 4.877704 5.149687 5.453404 4.593564 5.571518 6.111646 6.506576 5.757677 6.418376 6.411584 6.972911 7.479445 7.033344 8.101005 0.979335 0.000000 4.029969 6.074534 5.221043 3.238722 3.881555 4.478556 4.834565 3.537118 3.891358 6.591853 6.346425 5.765640 5.802079 3.996859 3.118929 4.096648 5.121191 5.559436 4.585950 5.951151 6.176851 6.486260 6.664518 6.317803 7.170576 0.979347 1.556056 0.000000 2.734789 3.227963 4.415141 3.985940 4.756322 2.772106 3.176138 3.404684 1.789380 3.553588 3.466895 4.389297 4.096096 4.198680 3.537687 4.892984 3.991933 3.848574 3.851139 2.779413 2.915597 3.411512 4.171576 3.527127 4.781319 3.828423 3.651642 3.261259 0.000000 1.747547 3.443354 4.007095 4.156658 5.033292 3.124524 3.235391 3.670202 2.212622 3.624925 3.269650 4.055173 3.623475 4.045350 3.515817 4.656264 3.351675 3.328184 3.369699 3.102065 3.161886 3.907085 3.910582 3.432962 4.644161 3.762113 3.694627 3.318736 0.987694 0.000000 3.134956 2.984382 5.012783 4.853263 5.576603 3.199956 3.612868 4.174943 2.267081 3.123428 3.181581 4.820111 4.417715 4.381504 3.850832 5.193293 3.961013 3.580518 3.895484 1.814915 2.093121 2.449998 3.505066 2.736289 4.061232 4.783749 4.620497 4.156652 0.979856 1.559951 0.000000 2.743823 6.123310 3.752287 4.007887 4.892945 4.954500 4.661666 4.284224 4.526112 6.420849 5.757876 4.512674 4.373308 5.110561 4.680892 5.053365 4.659486 5.304003 4.662220 6.568993 6.514981 7.403928 6.636145 6.519469 7.404569 2.712191 3.012471 3.140498 4.192170 3.498595 5.026924 0.000000 3.385960 7.055588 4.551189 4.801246 5.633194 5.916778 5.611689 5.172985 5.482604 7.309978 6.608379 5.346613 5.187625 5.306296 4.991811 5.079830 4.917391 5.679886 4.906474 7.362289 7.356645 8.208408 7.158665 7.150179 7.896999 3.197778 3.667770 3.665040 5.042705 4.324999 5.852457 0.965045 0.000000 3.131694 6.143689 4.061230 3.453596 4.296513 4.722280 4.614314 3.831490 4.269532 6.543767 6.002578 4.813120 4.783807 4.784137 4.212083 4.726225 4.862103 5.479427 4.673988 6.498635 6.516119 7.257202 6.788311 6.594876 7.489829 1.729292 2.149944 2.217776 3.904190 3.404747 4.816862 0.990915 1.565579 0.000000 2.697517 3.096499 3.231389 5.670537 6.513507 3.993981 3.353403 5.062763 3.700785 2.774768 1.796506 2.798766 1.832993 6.725827 6.458233 7.257130 4.761238 4.579719 5.380776 4.166007 3.564724 5.047167 4.627908 4.297715 5.577927 6.172126 5.907237 6.102570 3.846425 3.199227 3.868762 4.666092 5.393821 5.168770 0.000000 1.721581 3.490494 3.313902 5.371088 6.276566 4.016650 3.489755 4.859731 3.537222 3.265347 2.359433 3.144537 2.257436 5.822964 5.581157 6.311718 3.891559 3.831297 4.481873 4.028830 3.636113 4.968931 4.199000 3.956299 5.154173 5.460475 5.319623 5.353831 3.319557 2.512046 3.454342 3.887765 4.591170 4.390964 0.986868 0.000000 3.206136 3.893499 3.872038 6.550528 7.399483 4.940898 4.259324 5.982291 4.664664 3.421893 2.458295 3.455240 2.486095 7.222273 7.062973 7.718596 4.981566 4.798506 5.724824 4.766197 4.187087 5.645394 4.810741 4.634229 5.760756 6.943038 6.736705 6.893884 4.711966 4.005175 4.673739 5.172865 5.789286 5.793320 0.964656 1.565658 0.000000 4.073868 5.862017 6.161765 4.497907 5.120599 4.790764 5.312103 4.446693 3.967630 6.238179 6.130272 6.476297 6.321895 2.761153 1.780690 3.189080 4.337827 4.580532 3.631809 4.881237 5.361555 5.289668 5.503697 5.152457 5.829106 2.804111 3.191944 1.829257 2.692271 3.001939 3.276728 4.313541 4.849526 3.602782 6.181916 5.417634 6.959889 0.000000 3.483014 4.885067 5.504059 4.168023 4.855763 3.972687 4.492895 3.921502 3.088400 5.249591 5.166747 5.709968 5.516084 3.114995 2.230619 3.711534 4.053645 4.150263 3.516714 3.987764 4.403502 4.444300 4.877363 4.416456 5.287881 3.029929 3.181251 2.159734 1.711895 2.144788 2.311914 4.179596 4.860078 3.592566 5.337891 4.638114 6.148155 0.990565 0.000000 4.956674 6.187337 6.795626 4.784988 5.261768 5.071969 5.728307 4.717377 4.307394 6.618059 6.640944 7.064279 6.973902 3.296418 2.352677 3.746134 5.124482 5.269258 4.374835 5.136342 5.664131 5.379179 6.005720 5.581756 6.226788 3.343030 3.620703 2.391464 3.181786 3.706619 3.645077 5.192164 5.735793 4.418797 6.895858 6.194821 7.710080 0.965445 1.562158 0.000000 4.241158 5.452210 1.819494 2.821113 3.498576 3.926182 3.356186 3.086022 4.104110 5.988310 5.430445 2.792102 3.256579 7.439604 6.814534 7.567943 6.830820 7.205569 6.948010 7.159075 6.752470 7.910529 8.059834 7.676596 8.919317 3.791111 3.294239 4.463217 4.896230 4.470256 5.718629 2.818263 3.461266 3.011469 4.604803 4.349163 5.210008 5.845639 5.451105 6.502301 0.000000 4.437673 5.243671 2.162048 1.859173 2.526621 3.400007 3.035551 2.240646 3.626994 5.898148 5.478034 3.010128 3.573650 7.246051 6.524153 7.412026 6.947220 7.281683 6.950090 6.936484 6.570286 7.610928 8.083147 7.618517 8.893837 3.262131 2.585444 3.928249 4.535006 4.293397 5.401830 3.071775 3.800126 2.947381 4.941328 4.666687 5.668486 5.348548 4.976701 5.902527 0.977989 0.000000 0.987911 5.045308 4.883276 5.728889 6.676673 5.077955 4.912928 5.452214 4.265499 4.901455 4.245150 5.057381 4.377381 3.594094 3.553833 3.993015 1.740472 2.139429 2.193584 4.219566 4.393638 5.126527 3.455525 3.541947 4.244229 4.607747 4.892508 4.266161 3.049106 2.146386 3.293096 3.256147 3.718205 3.583818 3.371328 2.407816 3.739162 3.996650 3.514172 4.887996 5.144875 5.316685 0.000000 3.580274 5.610209 2.302135 3.124737 3.927627 4.205680 3.705055 3.413288 4.152724 6.056711 5.428992 3.237258 3.440006 6.665626 6.102237 6.735907 6.055159 6.516187 6.158761 6.915745 6.614361 7.715254 7.530270 7.237109 8.376444 3.299897 3.037324 3.945579 4.576989 4.027989 5.423928 1.856335 2.499041 2.184129 4.436021 3.989590 5.006987 5.311735 4.984832 6.056173 0.977823 1.537416 4.413026 0.000000 0.982131 5.012948 3.697742 4.563739 5.526488 4.465787 4.171825 4.453254 3.832444 5.108323 4.398936 4.122341 3.643817 4.381971 4.079053 4.593571 3.224428 3.716629 3.447258 5.065029 5.035773 5.962207 4.929477 4.839461 5.746775 3.580917 3.782764 3.556685 3.141761 2.222490 3.759049 1.772068 2.413876 2.255052 3.312539 2.389494 3.812177 3.994420 3.570040 4.920496 3.632858 3.870950 1.591434 2.842082 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:-.5203,-.108,1.5423;.3801,3.1645,-1.2969;3.0467,1.3888,1.0828;3.3733,-.8418,-1.4576;4.0561,-.924,-2.1345;1.8488,1.4405,-1.7022;2.1428,1.7861,-.8291;2.8699,-.0193,-1.6678;1.0014,.9754,-1.5219;-.339,3.5902,-.8064;-.2224,3.263,.112;2.7218,2.2742,.8099;1.8493,2.3795,1.2384;-3.0006,-3.1554,-.1716;-2.207,-3.0041,-.7323;-2.8251,-3.9801,.2979;-3.0693,-1.0511,1.6582;-3.4958,-.2937,1.2023;-3.0708,-1.7851,1.0068;-2.4379,2.0174,-1.5615;-1.7508,2.6902,-1.3345;-2.7891,2.2662,-2.4253;-4.1661,1.1994,.4449;-3.585,1.5109,-.2823;-5.0207,1.0316,.0291;1.7688,-2.9622,-.5771;2.3184,-2.2509,-.9657;.8966,-2.8814,-1.0152;-.4997,.0607,-1.1872;-.4939,.0197,-.2004;-1.2411,.6615,-1.41;1.4999,-1.9269,1.9153;1.4981,-2.6165,2.5904;1.5635,-2.3917,1.0424;.0849,2.515,1.7163;-.1935,1.569,1.7541;-.195,2.9195,2.5461;-.773,-2.5692,-1.6942;-.7255,-1.5837,-1.6059;-.8535,-2.748,-2.6395;3.7093,-.2931,1.2892;3.7309,-.5224,.3387;-1.4176,-.5026,1.6654;2.9822,-.8433,1.6426;.1432,-.7966,1.7662; 0.3097486 0.2510682 0.1907740 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= 8.10D-05 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= 524 524 524 524 524 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22778559213 -1147.22778559 1 1.143314366448e+03 -5.594883546545e+03 1.862759064494e+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. PT227.200S Thu Jul 18 15:22:42 2024 -19.13074 -19.12930 -19.12874 -19.12867 -19.12813 -19.12316 -19.12274 -19.12255 -19.11989 -19.11724 -19.11443 -19.11294 -19.11222 -19.11008 -19.11002 -1.03071 -1.02455 -1.02247 -1.01980 -1.01791 -1.01358 -1.01201 -1.00765 -1.00553 -1.00345 -0.99901 -0.99599 -0.99364 -0.98809 -0.98569 -0.54628 -0.54303 -0.54173 -0.53922 -0.53862 -0.53353 -0.53147 -0.53040 -0.52957 -0.52631 -0.52510 -0.52428 -0.52342 -0.52133 -0.51708 -0.43770 -0.43456 -0.43285 -0.42434 -0.41992 -0.41481 -0.40466 -0.40034 -0.39334 -0.39187 -0.38817 -0.38655 -0.37869 -0.37657 -0.36551 -0.33329 -0.32954 -0.32822 -0.32737 -0.32620 -0.32402 -0.32233 -0.32154 -0.32017 -0.31818 -0.31789 -0.31615 -0.31559 -0.31239 -0.31030 -0.00202 0.02648 0.02903 0.04124 0.05395 0.06043 0.06842 0.07713 0.08228 0.08668 0.10487 0.10653 0.10927 0.11015 0.11369 0.11804 0.12278 0.12838 0.13111 0.13928 0.14130 0.14928 0.15205 0.15395 0.16135 0.16329 0.16855 0.17014 0.17629 0.17985 0.18586 0.18937 0.19285 0.19825 0.19873 0.20655 0.21128 0.21171 0.21691 0.21817 0.22283 0.22803 0.23431 0.23594 0.23945 0.24452 0.24672 0.25173 0.25461 0.25888 0.26060 0.26186 0.26708 0.27125 0.27604 0.28096 0.28139 0.28335 0.28554 0.28714 0.29080 0.29418 0.29717 0.29858 0.30300 0.30540 0.30656 0.31056 0.31600 0.31949 0.32895 0.33701 0.34622 0.35150 0.36339 0.37943 0.39181 0.41476 0.42316 0.44296 0.45449 0.45534 0.46388 0.47268 0.48065 0.48957 0.50713 0.50912 0.51305 0.51670 0.52165 0.53190 0.53576 0.54279 0.55739 0.56094 0.56373 0.56841 0.57264 0.58151 0.59019 0.59779 0.60532 0.61565 0.61630 0.62458 0.62530 0.63671 0.64441 0.65201 0.65730 0.66429 0.66663 0.67745 0.68442 0.69596 0.70157 0.70819 0.72810 0.75457 0.93841 0.95325 0.96431 0.97077 0.97349 0.97893 0.98037 0.99076 0.99667 1.00173 1.00525 1.00756 1.01080 1.01958 1.02411 1.03448 1.04117 1.04664 1.05373 1.05600 1.06643 1.07086 1.07956 1.08144 1.08429 1.08895 1.09078 1.09708 1.10336 1.10754 1.11559 1.12124 1.12412 1.12887 1.13148 1.13655 1.14180 1.14723 1.14961 1.16060 1.16847 1.18494 1.19000 1.19933 1.22736 1.23848 1.24061 1.25912 1.26394 1.26524 1.28547 1.28638 1.30454 1.31103 1.31390 1.32173 1.32429 1.32728 1.33108 1.33608 1.34923 1.35612 1.36544 1.36641 1.37436 1.37867 1.39011 1.39427 1.40334 1.40873 1.41137 1.41889 1.42417 1.43453 1.44754 1.45892 1.46672 1.47076 1.47530 1.48388 1.49607 1.50559 1.51743 1.52914 1.53697 1.54585 1.55711 1.56131 1.57937 1.58868 1.59757 1.60490 1.60982 1.61892 1.62670 1.63484 1.64075 1.65170 1.65922 1.67381 1.68140 1.68766 1.69204 1.70096 1.73126 1.74005 1.74178 1.74539 1.75802 1.75883 1.76465 1.76995 1.78747 1.80613 1.80966 1.82481 1.82851 1.83793 1.86352 1.88689 2.02032 2.03392 2.03820 2.04047 2.04527 2.05115 2.05652 2.10491 2.21373 2.23812 2.24710 2.27382 2.28289 2.28839 2.29745 2.30151 2.32510 2.33915 2.34990 2.35698 2.36209 2.37692 2.39394 2.40534 2.43051 2.43831 2.45969 2.47721 2.48751 2.54802 2.55258 2.56186 2.56873 2.57266 2.57767 2.58589 2.61609 2.67788 2.69054 2.69899 2.70366 2.71824 2.71963 2.72815 2.73318 2.75198 2.76540 2.76741 2.77778 2.78108 2.79646 2.80538 2.82276 2.82672 2.84811 2.86004 2.86945 2.88619 2.90084 2.95273 3.06815 3.07492 3.08168 3.08548 3.09329 3.09443 3.09805 3.10183 3.10759 3.10995 3.11403 3.12054 3.12169 3.12746 3.12827 3.13685 3.14003 3.14396 3.14603 3.15005 3.15508 3.16584 3.17055 3.17746 3.18281 3.18793 3.19208 3.19413 3.20680 3.21742 3.28884 3.29185 3.29894 3.30585 3.31213 3.31756 3.32273 3.33296 3.34206 3.34508 3.34888 3.35688 3.36334 3.37231 3.40504 3.68552 3.69770 3.70659 3.71165 3.71312 3.72612 3.72874 3.73481 3.74052 3.74751 3.76126 3.76575 3.78250 3.79933 3.82328 3.90612 3.91201 3.91476 3.92032 3.92765 3.93300 3.93359 3.93798 3.94213 3.95228 3.95482 3.96227 3.97046 3.98633 4.00019 4.99335 5.00072 5.01940 5.02197 5.02965 5.03180 5.04255 5.04709 5.05830 5.06280 5.07097 5.09782 5.10985 5.12059 5.21550 5.35178 5.37625 5.40349 5.40946 5.41962 5.43233 5.44698 5.44919 5.46092 5.46630 5.47721 5.48438 5.52343 5.53662 5.55282 5.65411 5.65903 5.66359 5.66448 5.66986 5.67840 5.68080 5.69010 5.71893 5.73962 5.74944 5.76239 5.77264 5.77769 5.78670 49.88465 49.88987 49.89185 49.90188 49.91481 49.91729 49.92111 49.92384 49.93588 49.94430 49.94936 49.95307 49.97796 49.98041 49.99121 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 -0.928096 0.291603 0.396531 -0.757912 0.348538 -0.794307 0.391714 0.399005 0.396474 -0.672737 0.387413 -0.796114 0.388631 -0.737977 0.418181 0.314042 -0.813871 0.416042 0.404796 -0.788150 0.425921 0.338726 -0.746250 0.423387 0.320700 -0.749559 0.370409 0.390368 -0.864659 0.480661 0.447431 -0.769458 0.347380 0.408569 -0.751819 0.398461 0.347237 -0.757279 0.421510 0.333819 -0.734782 0.365379 0.475642 0.371440 0.442958 -0.00000 -5.1916 -4.2131 -5.1697 8.4515 -122.1649 -110.8930 -85.5918 -15.3801 7.4238 0.5426 -15.9483 -4.6764 20.6247 -15.3801 7.4238 0.5426 -90.7414 -100.7453 -32.7616 -58.2921 0.5643 -132.3338 -1.1598 -12.0866 34.2106 10.5540 -3524.3250 -2862.6182 -1013.4243 -323.2366 -106.8110 77.9447 -26.8599 108.6119 76.1919 -1210.4001 -802.1883 -451.1939 -83.0850 47.3675 -128.8812 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CABRERA LAMSABHI 18-Jul-2024 0 Wavefunction 15-agua/ CONF777 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2277856 RMSD=1.266e-09 Dipole=-1.4608425,-1.4185178,-2.6286849 Quadrupole=-7.0202914,-7.5290335,14.5493249,-12.730645,0.2121029,-5.860386 PG=C01 [X(H30O15)] 0 -0.581789778 -0.6271271333 1.3902244499 0 -0.241842826 3.4023774284 -0.4067655108 0 2.5773499531 1.6179746322 1.7829452174 0 3.5842187214 0.2688600205 -1.1669736912 0 4.3152601602 0.5105821694 -1.7486984569 0 1.6045367514 2.1808091848 -1.0331713141 0 1.7483902836 2.3288684522 -0.0711402486 0 2.9243653882 1.0000540163 -1.2300294876 0 0.8735996494 1.525061328 -1.0853350364 0 -1.0723380099 3.5273475139 0.0765505677 0 -0.9517604353 2.9940952503 0.8921633787 0 2.0811938519 2.4609303922 1.6985004013 0 1.1786769437 2.270396335 2.022881571 0 -2.1763862386 -3.5284594879 -1.3328508593 0 -1.3990940177 -3.0762505813 -1.7307034573 0 -1.8533071009 -4.3972504033 -1.0640044489 0 -2.8526161146 -2.0548710214 0.9370032235 0 -3.405192171 -1.3031826661 0.6319132253 0 -2.6404787985 -2.5704489175 0.1292945912 0 -2.7000472165 1.8317255108 -1.310792126 0 -2.2015158048 2.5409333998 -0.8368064067 0 -3.0348036004 2.2295740672 -2.1237991946 0 -4.3392411581 0.174280716 0.1883403722 0 -3.7925434924 0.780084355 -0.3571212436 0 -5.1011507338 -0.0417182947 -0.3631913629 0 2.441878553 -2.286253892 -1.0558190148 0 2.8428940583 -1.4016237954 -1.1811674491 0 1.6083025246 -2.2655179668 -1.5694744092 0 -0.4016747559 0.2738597189 -1.1855961188 0 -0.4584400583 -0.0304733335 -0.247673431 0 -1.2415800034 0.7521394803 -1.3466075189 0 1.7651552901 -2.0384979816 1.5588780687 0 1.8704889523 -2.870876498 2.0357044951 0 1.9956619127 -2.2276100674 0.6138824024 0 -0.6005224175 1.9170789318 2.2864744107 0 -0.6594745242 0.9602935435 2.0519661748 0 -1.0242473335 2.017980728 3.1471937352 0 -0.0347956614 -2.1206674719 -2.3603136588 0 -0.2182358589 -1.2068446987 -2.0249099108 0 -0.0038055273 -2.0496082728 -3.3226407666 0 3.5867496881 0.1100266952 1.6496628327 0 3.728727786 0.1554020247 0.6830989544 0 -1.3729261885 -1.2109417722 1.2941383011 0 2.9794621293 -0.6486343019 1.7581682814 0 0.202344689 -1.204018568 1.5202680328 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:-.5818,-.6271,1.3902;-.2418,3.4024,-.4068;2.5774,1.618,1.7829;3.5842,.2689,-1.167;4.3153,.5106,-1.7487;1.6045,2.1808,-1.0332;1.7484,2.3289,-.0711;2.9244,1.0001,-1.23;.8736,1.5251,-1.0853;-1.0723,3.5273,.0766;-.9518,2.9941,.8922;2.0812,2.4609,1.6985;1.1787,2.2704,2.0229;-2.1764,-3.5285,-1.3329;-1.3991,-3.0763,-1.7307;-1.8533,-4.3972,-1.064;-2.8526,-2.0549,.937;-3.4052,-1.3032,.6319;-2.6405,-2.5704,.1293;-2.7,1.8317,-1.3108;-2.2015,2.5409,-.8368;-3.0348,2.2296,-2.1238;-4.3392,.1743,.1883;-3.7925,.7801,-.3571;-5.1012,-.0417,-.3632;2.4419,-2.2863,-1.0558;2.8429,-1.4016,-1.1812;1.6083,-2.2655,-1.5695;-.4017,.2739,-1.1856;-.4584,-.0305,-.2477;-1.2416,.7521,-1.3466;1.7652,-2.0385,1.5589;1.8705,-2.8709,2.0357;1.9957,-2.2276,.6139;-.6005,1.9171,2.2865;-.6595,.9603,2.052;-1.0242,2.018,3.1472;-.0348,-2.1207,-2.3603;-.2182,-1.2068,-2.0249;-.0038,-2.0496,-3.3226;3.5867,.11,1.6497;3.7287,.1554,.6831;-1.3729,-1.2109,1.2941;2.9795,-.6486,1.7582;.2023,-1.204,1.5203; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF777/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/ CONF777 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 1441.6148831054 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) -0.0478026670 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 4.425115 0.000000 3.895494 3.990836 0.000000 4.969676 5.003558 3.396456 0.000000 5.926915 5.561515 4.088907 0.965015 0.000000 4.305505 2.300811 3.032105 2.755466 3.263381 0.000000 4.037727 2.286065 2.151785 2.968965 3.564995 0.983930 0.000000 4.669751 4.058792 3.095200 0.986928 1.563070 1.781820 2.119361 0.000000 3.588658 2.286697 3.337429 2.988672 3.648869 0.983359 1.562036 2.121841 0.000000 4.384750 0.968986 4.458443 5.817870 6.438837 3.195357 3.068334 4.905915 3.024203 0.000000 3.673989 1.535543 3.891249 5.678209 6.394020 3.301970 2.943008 4.848119 3.066023 0.981897 0.000000 4.089329 3.273372 0.981772 3.908350 4.547317 2.787059 1.805499 3.379554 3.175512 3.703070 3.183278 0.000000 3.448933 3.033553 1.561893 4.468552 5.211518 3.086882 2.170926 3.904181 3.210858 3.230356 2.518140 0.977785 0.000000 4.286678 7.255108 7.667593 6.901574 7.656909 6.854264 7.162686 6.821706 5.907770 7.279406 6.999580 7.949143 7.492938 0.000000 4.050479 6.713022 7.084743 6.028347 6.746817 6.094672 6.471176 5.963156 5.172399 6.854228 6.627868 7.384593 7.022887 0.983343 0.000000 4.674808 7.991431 7.994922 7.165883 7.912449 7.431588 7.694068 7.210036 6.519989 8.044255 7.698790 8.375343 7.948541 0.965120 1.547849 0.000000 2.720389 6.197049 6.609837 7.159559 8.072979 6.456685 6.434500 6.884919 5.548914 5.922072 5.395120 6.731628 6.011522 2.789442 3.205090 3.238733 0.000000 3.000615 5.764367 6.756393 7.386418 8.280244 6.325195 6.343933 6.988206 5.408878 5.393019 4.955164 6.738441 5.976380 3.212805 3.570736 3.854574 0.981558 0.000000 3.099136 6.458751 6.892256 6.963393 7.835937 6.476568 6.580703 6.750092 5.531481 6.296425 5.864971 7.076113 6.450225 1.808600 2.292698 2.319656 0.981436 1.563130 0.000000 4.222376 3.054011 6.121096 6.477286 7.152043 4.327629 4.644619 5.686143 3.593859 2.729339 3.043127 5.684365 5.133256 5.385749 5.094805 6.291106 4.492382 3.754861 4.632120 0.000000 4.197593 2.183424 5.527432 6.224633 6.886381 3.828092 4.029017 5.366898 3.248091 1.755641 2.180959 4.977528 4.435844 6.089682 5.744187 6.950630 4.969079 4.287564 5.220371 0.988014 0.000000 5.150377 3.481997 6.865346 6.969316 7.557716 4.766060 5.205978 6.149979 4.104919 3.221339 3.744275 6.390378 5.911856 5.875154 5.566134 6.814243 5.268603 4.495721 5.317156 0.965052 1.564501 0.000000 4.025571 5.250089 7.243359 8.039094 8.874999 6.391146 6.462881 7.446721 5.533585 4.682757 4.463378 6.980783 6.181154 4.549972 4.784678 5.352302 2.782026 1.803359 3.228439 2.771548 3.349902 3.357347 0.000000 3.916938 4.414336 6.771816 7.438671 8.230771 5.616720 5.760422 6.776962 4.781023 3.890378 3.812165 6.446054 5.709507 4.703994 4.742009 5.573609 3.255026 2.338425 3.576301 1.791364 2.421168 2.407559 0.981532 0.000000 4.882806 5.956221 8.143700 8.728011 9.533806 7.096108 7.254046 8.139140 6.218837 5.400272 5.292402 7.880349 7.104608 4.653155 4.978323 5.478165 3.286213 2.336194 3.562573 3.189520 3.911813 3.539534 0.965064 1.545267 0.000000 4.228286 6.323303 4.829072 2.801054 3.436849 4.544921 4.769683 3.326103 4.121467 6.886940 6.572177 5.500193 5.642441 4.790427 3.979024 4.785916 5.661851 6.164666 5.226434 6.592584 6.701553 7.178254 7.320229 6.982738 7.900314 0.000000 4.352052 5.761400 4.239629 1.827643 2.479211 3.793318 4.043102 2.403556 3.528851 6.419163 6.166072 4.877704 5.149687 5.453404 4.593564 5.571518 6.111646 6.506576 5.757677 6.418376 6.411584 6.972911 7.479445 7.033344 8.101005 0.979335 0.000000 4.029969 6.074534 5.221043 3.238722 3.881555 4.478556 4.834565 3.537118 3.891358 6.591853 6.346425 5.765640 5.802079 3.996859 3.118929 4.096648 5.121191 5.559436 4.585950 5.951151 6.176851 6.486260 6.664518 6.317803 7.170576 0.979347 1.556056 0.000000 2.734789 3.227963 4.415141 3.985940 4.756322 2.772106 3.176138 3.404684 1.789380 3.553588 3.466895 4.389297 4.096096 4.198680 3.537687 4.892984 3.991933 3.848574 3.851139 2.779413 2.915597 3.411512 4.171576 3.527127 4.781319 3.828423 3.651642 3.261259 0.000000 1.747547 3.443354 4.007095 4.156658 5.033292 3.124524 3.235391 3.670202 2.212622 3.624925 3.269650 4.055173 3.623475 4.045350 3.515817 4.656264 3.351675 3.328184 3.369699 3.102065 3.161886 3.907085 3.910582 3.432962 4.644161 3.762113 3.694627 3.318736 0.987694 0.000000 3.134956 2.984382 5.012783 4.853263 5.576603 3.199956 3.612868 4.174943 2.267081 3.123428 3.181581 4.820111 4.417715 4.381504 3.850832 5.193293 3.961013 3.580518 3.895484 1.814915 2.093121 2.449998 3.505066 2.736289 4.061232 4.783749 4.620497 4.156652 0.979856 1.559951 0.000000 2.743823 6.123310 3.752287 4.007887 4.892945 4.954500 4.661666 4.284224 4.526112 6.420849 5.757876 4.512674 4.373308 5.110561 4.680892 5.053365 4.659486 5.304003 4.662220 6.568993 6.514981 7.403928 6.636145 6.519469 7.404569 2.712191 3.012471 3.140498 4.192170 3.498595 5.026924 0.000000 3.385960 7.055588 4.551189 4.801246 5.633194 5.916778 5.611689 5.172985 5.482604 7.309978 6.608379 5.346613 5.187625 5.306296 4.991811 5.079830 4.917391 5.679886 4.906474 7.362289 7.356645 8.208408 7.158665 7.150179 7.896999 3.197778 3.667770 3.665040 5.042705 4.324999 5.852457 0.965045 0.000000 3.131694 6.143689 4.061230 3.453596 4.296513 4.722280 4.614314 3.831490 4.269532 6.543767 6.002578 4.813120 4.783807 4.784137 4.212083 4.726225 4.862103 5.479427 4.673988 6.498635 6.516119 7.257202 6.788311 6.594876 7.489829 1.729292 2.149944 2.217776 3.904190 3.404747 4.816862 0.990915 1.565579 0.000000 2.697517 3.096499 3.231389 5.670537 6.513507 3.993981 3.353403 5.062763 3.700785 2.774768 1.796506 2.798766 1.832993 6.725827 6.458233 7.257130 4.761238 4.579719 5.380776 4.166007 3.564724 5.047167 4.627908 4.297715 5.577927 6.172126 5.907237 6.102570 3.846425 3.199227 3.868762 4.666092 5.393821 5.168770 0.000000 1.721581 3.490494 3.313902 5.371088 6.276566 4.016650 3.489755 4.859731 3.537222 3.265347 2.359433 3.144537 2.257436 5.822964 5.581157 6.311718 3.891559 3.831297 4.481873 4.028830 3.636113 4.968931 4.199000 3.956299 5.154173 5.460475 5.319623 5.353831 3.319557 2.512046 3.454342 3.887765 4.591170 4.390964 0.986868 0.000000 3.206136 3.893499 3.872038 6.550528 7.399483 4.940898 4.259324 5.982291 4.664664 3.421893 2.458295 3.455240 2.486095 7.222273 7.062973 7.718596 4.981566 4.798506 5.724824 4.766197 4.187087 5.645394 4.810741 4.634229 5.760756 6.943038 6.736705 6.893884 4.711966 4.005175 4.673739 5.172865 5.789286 5.793320 0.964656 1.565658 0.000000 4.073868 5.862017 6.161765 4.497907 5.120599 4.790764 5.312103 4.446693 3.967630 6.238179 6.130272 6.476297 6.321895 2.761153 1.780690 3.189080 4.337827 4.580532 3.631809 4.881237 5.361555 5.289668 5.503697 5.152457 5.829106 2.804111 3.191944 1.829257 2.692271 3.001939 3.276728 4.313541 4.849526 3.602782 6.181916 5.417634 6.959889 0.000000 3.483014 4.885067 5.504059 4.168023 4.855763 3.972687 4.492895 3.921502 3.088400 5.249591 5.166747 5.709968 5.516084 3.114995 2.230619 3.711534 4.053645 4.150263 3.516714 3.987764 4.403502 4.444300 4.877363 4.416456 5.287881 3.029929 3.181251 2.159734 1.711895 2.144788 2.311914 4.179596 4.860078 3.592566 5.337891 4.638114 6.148155 0.990565 0.000000 4.956674 6.187337 6.795626 4.784988 5.261768 5.071969 5.728307 4.717377 4.307394 6.618059 6.640944 7.064279 6.973902 3.296418 2.352677 3.746134 5.124482 5.269258 4.374835 5.136342 5.664131 5.379179 6.005720 5.581756 6.226788 3.343030 3.620703 2.391464 3.181786 3.706619 3.645077 5.192164 5.735793 4.418797 6.895858 6.194821 7.710080 0.965445 1.562158 0.000000 4.241158 5.452210 1.819494 2.821113 3.498576 3.926182 3.356186 3.086022 4.104110 5.988310 5.430445 2.792102 3.256579 7.439604 6.814534 7.567943 6.830820 7.205569 6.948010 7.159075 6.752470 7.910529 8.059834 7.676596 8.919317 3.791111 3.294239 4.463217 4.896230 4.470256 5.718629 2.818263 3.461266 3.011469 4.604803 4.349163 5.210008 5.845639 5.451105 6.502301 0.000000 4.437673 5.243671 2.162048 1.859173 2.526621 3.400007 3.035551 2.240646 3.626994 5.898148 5.478034 3.010128 3.573650 7.246051 6.524153 7.412026 6.947220 7.281683 6.950090 6.936484 6.570286 7.610928 8.083147 7.618517 8.893837 3.262131 2.585444 3.928249 4.535006 4.293397 5.401830 3.071775 3.800126 2.947381 4.941328 4.666687 5.668486 5.348548 4.976701 5.902527 0.977989 0.000000 0.987911 5.045308 4.883276 5.728889 6.676673 5.077955 4.912928 5.452214 4.265499 4.901455 4.245150 5.057381 4.377381 3.594094 3.553833 3.993015 1.740472 2.139429 2.193584 4.219566 4.393638 5.126527 3.455525 3.541947 4.244229 4.607747 4.892508 4.266161 3.049106 2.146386 3.293096 3.256147 3.718205 3.583818 3.371328 2.407816 3.739162 3.996650 3.514172 4.887996 5.144875 5.316685 0.000000 3.580274 5.610209 2.302135 3.124737 3.927627 4.205680 3.705055 3.413288 4.152724 6.056711 5.428992 3.237258 3.440006 6.665626 6.102237 6.735907 6.055159 6.516187 6.158761 6.915745 6.614361 7.715254 7.530270 7.237109 8.376444 3.299897 3.037324 3.945579 4.576989 4.027989 5.423928 1.856335 2.499041 2.184129 4.436021 3.989590 5.006987 5.311735 4.984832 6.056173 0.977823 1.537416 4.413026 0.000000 0.982131 5.012948 3.697742 4.563739 5.526488 4.465787 4.171825 4.453254 3.832444 5.108323 4.398936 4.122341 3.643817 4.381971 4.079053 4.593571 3.224428 3.716629 3.447258 5.065029 5.035773 5.962207 4.929477 4.839461 5.746775 3.580917 3.782764 3.556685 3.141761 2.222490 3.759049 1.772068 2.413876 2.255052 3.312539 2.389494 3.812177 3.994420 3.570040 4.920496 3.632858 3.870950 1.591434 2.842082 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:-.5203,-.108,1.5423;.3801,3.1645,-1.2969;3.0467,1.3888,1.0828;3.3733,-.8418,-1.4576;4.0561,-.924,-2.1345;1.8488,1.4405,-1.7022;2.1428,1.7861,-.8291;2.8699,-.0193,-1.6678;1.0014,.9754,-1.5219;-.339,3.5902,-.8064;-.2224,3.263,.112;2.7218,2.2742,.8099;1.8493,2.3795,1.2384;-3.0006,-3.1554,-.1716;-2.207,-3.0041,-.7323;-2.8251,-3.9801,.2979;-3.0693,-1.0511,1.6582;-3.4958,-.2937,1.2023;-3.0708,-1.7851,1.0068;-2.4379,2.0174,-1.5615;-1.7508,2.6902,-1.3345;-2.7891,2.2662,-2.4253;-4.1661,1.1994,.4449;-3.585,1.5109,-.2823;-5.0207,1.0316,.0291;1.7688,-2.9622,-.5771;2.3184,-2.2509,-.9657;.8966,-2.8814,-1.0152;-.4997,.0607,-1.1872;-.4939,.0197,-.2004;-1.2411,.6615,-1.41;1.4999,-1.9269,1.9153;1.4981,-2.6165,2.5904;1.5635,-2.3917,1.0424;.0849,2.515,1.7163;-.1935,1.569,1.7541;-.195,2.9195,2.5461;-.773,-2.5692,-1.6942;-.7255,-1.5837,-1.6059;-.8535,-2.748,-2.6395;3.7093,-.2931,1.2892;3.7309,-.5224,.3387;-1.4176,-.5026,1.6654;2.9822,-.8433,1.6426;.1432,-.7966,1.7662; 0.3097486 0.2510682 0.1907740 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= 8.10D-05 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= 524 524 524 524 524 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22778559213 -1147.22778559 1 1.143314366448e+03 -5.594883546545e+03 1.862759064494e+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. PT15776.600S Thu Jul 18 15:40:22 2024 -19.13074 -19.12930 -19.12874 -19.12867 -19.12813 -19.12316 -19.12274 -19.12255 -19.11989 -19.11724 -19.11443 -19.11294 -19.11222 -19.11008 -19.11002 -1.03071 -1.02455 -1.02247 -1.01980 -1.01791 -1.01358 -1.01201 -1.00765 -1.00553 -1.00345 -0.99901 -0.99599 -0.99364 -0.98809 -0.98569 -0.54628 -0.54303 -0.54173 -0.53922 -0.53862 -0.53353 -0.53147 -0.53040 -0.52957 -0.52631 -0.52510 -0.52428 -0.52342 -0.52133 -0.51708 -0.43770 -0.43456 -0.43285 -0.42434 -0.41992 -0.41481 -0.40466 -0.40034 -0.39334 -0.39187 -0.38817 -0.38655 -0.37869 -0.37657 -0.36551 -0.33329 -0.32954 -0.32822 -0.32737 -0.32620 -0.32402 -0.32233 -0.32154 -0.32017 -0.31818 -0.31789 -0.31615 -0.31559 -0.31239 -0.31030 -0.00202 0.02648 0.02903 0.04124 0.05395 0.06043 0.06842 0.07713 0.08228 0.08668 0.10487 0.10653 0.10927 0.11015 0.11369 0.11804 0.12278 0.12838 0.13111 0.13928 0.14130 0.14928 0.15205 0.15395 0.16135 0.16329 0.16855 0.17014 0.17629 0.17985 0.18586 0.18937 0.19285 0.19825 0.19873 0.20655 0.21128 0.21171 0.21691 0.21817 0.22283 0.22803 0.23431 0.23594 0.23945 0.24452 0.24672 0.25173 0.25461 0.25888 0.26060 0.26186 0.26708 0.27125 0.27604 0.28096 0.28139 0.28335 0.28554 0.28714 0.29080 0.29418 0.29717 0.29858 0.30300 0.30540 0.30656 0.31056 0.31600 0.31949 0.32895 0.33701 0.34622 0.35150 0.36339 0.37943 0.39181 0.41476 0.42316 0.44296 0.45449 0.45534 0.46388 0.47268 0.48065 0.48957 0.50713 0.50912 0.51305 0.51670 0.52165 0.53190 0.53576 0.54279 0.55739 0.56094 0.56373 0.56841 0.57264 0.58151 0.59019 0.59779 0.60532 0.61565 0.61630 0.62458 0.62530 0.63671 0.64441 0.65201 0.65730 0.66429 0.66663 0.67745 0.68442 0.69596 0.70157 0.70819 0.72810 0.75457 0.93841 0.95325 0.96431 0.97077 0.97349 0.97893 0.98037 0.99076 0.99667 1.00173 1.00525 1.00756 1.01080 1.01958 1.02411 1.03448 1.04117 1.04664 1.05373 1.05600 1.06643 1.07086 1.07956 1.08144 1.08429 1.08895 1.09078 1.09708 1.10336 1.10754 1.11559 1.12124 1.12412 1.12887 1.13148 1.13655 1.14180 1.14723 1.14961 1.16060 1.16847 1.18494 1.19000 1.19933 1.22736 1.23848 1.24061 1.25912 1.26394 1.26524 1.28547 1.28638 1.30454 1.31103 1.31390 1.32173 1.32429 1.32728 1.33108 1.33608 1.34923 1.35612 1.36544 1.36641 1.37436 1.37867 1.39011 1.39427 1.40334 1.40873 1.41137 1.41889 1.42417 1.43453 1.44754 1.45892 1.46672 1.47076 1.47530 1.48388 1.49607 1.50559 1.51743 1.52914 1.53697 1.54585 1.55711 1.56131 1.57937 1.58868 1.59757 1.60490 1.60982 1.61892 1.62670 1.63484 1.64075 1.65170 1.65922 1.67381 1.68140 1.68766 1.69204 1.70096 1.73126 1.74005 1.74178 1.74539 1.75802 1.75883 1.76465 1.76995 1.78747 1.80613 1.80966 1.82481 1.82851 1.83793 1.86352 1.88689 2.02032 2.03392 2.03820 2.04047 2.04527 2.05115 2.05652 2.10491 2.21373 2.23812 2.24710 2.27382 2.28289 2.28839 2.29745 2.30151 2.32510 2.33915 2.34990 2.35698 2.36209 2.37692 2.39394 2.40534 2.43051 2.43831 2.45969 2.47721 2.48751 2.54802 2.55258 2.56186 2.56873 2.57266 2.57767 2.58589 2.61609 2.67788 2.69054 2.69899 2.70366 2.71824 2.71963 2.72815 2.73318 2.75198 2.76540 2.76741 2.77778 2.78108 2.79646 2.80538 2.82276 2.82672 2.84811 2.86004 2.86945 2.88619 2.90084 2.95273 3.06815 3.07492 3.08168 3.08548 3.09329 3.09443 3.09805 3.10183 3.10759 3.10995 3.11403 3.12054 3.12169 3.12746 3.12827 3.13685 3.14003 3.14396 3.14603 3.15005 3.15508 3.16584 3.17055 3.17746 3.18281 3.18793 3.19208 3.19413 3.20680 3.21742 3.28884 3.29185 3.29894 3.30585 3.31213 3.31756 3.32273 3.33296 3.34206 3.34508 3.34888 3.35688 3.36334 3.37231 3.40504 3.68552 3.69770 3.70659 3.71165 3.71312 3.72612 3.72874 3.73481 3.74052 3.74751 3.76126 3.76575 3.78250 3.79933 3.82328 3.90612 3.91201 3.91476 3.92032 3.92765 3.93300 3.93359 3.93798 3.94213 3.95228 3.95482 3.96227 3.97046 3.98633 4.00019 4.99335 5.00072 5.01940 5.02197 5.02965 5.03180 5.04255 5.04709 5.05830 5.06280 5.07097 5.09782 5.10985 5.12059 5.21550 5.35178 5.37625 5.40349 5.40946 5.41962 5.43233 5.44698 5.44919 5.46092 5.46630 5.47721 5.48438 5.52343 5.53662 5.55282 5.65411 5.65903 5.66359 5.66448 5.66986 5.67840 5.68080 5.69010 5.71893 5.73962 5.74944 5.76239 5.77264 5.77769 5.78670 49.88465 49.88987 49.89185 49.90188 49.91481 49.91729 49.92111 49.92384 49.93588 49.94430 49.94936 49.95307 49.97796 49.98041 49.99121 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 -0.928096 0.291603 0.396531 -0.757912 0.348538 -0.794307 0.391714 0.399005 0.396474 -0.672737 0.387413 -0.796114 0.388631 -0.737977 0.418181 0.314042 -0.813871 0.416042 0.404796 -0.788150 0.425921 0.338726 -0.746250 0.423387 0.320700 -0.749559 0.370409 0.390368 -0.864659 0.480661 0.447431 -0.769458 0.347380 0.408569 -0.751819 0.398461 0.347237 -0.757279 0.421510 0.333819 -0.734782 0.365379 0.475642 0.371440 0.442958 -0.00000 -5.1916 -4.2131 -5.1697 8.4515 -122.1649 -110.8930 -85.5918 -15.3801 7.4238 0.5426 -15.9483 -4.6764 20.6247 -15.3801 7.4238 0.5426 -90.7414 -100.7453 -32.7616 -58.2921 0.5643 -132.3338 -1.1598 -12.0866 34.2106 10.5540 -3524.3250 -2862.6182 -1013.4243 -323.2366 -106.8110 77.9447 -26.8599 108.6119 76.1919 -1210.4001 -802.1883 -451.1939 -83.0850 47.3675 -128.8812 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CABRERA LAMSABHI 18-Jul-2024 0 Wavefunction 15-agua/ CONF777water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2277856 RMSD=1.266e-09 Dipole=-1.4608425,-1.4185178,-2.6286849 Quadrupole=-7.0202914,-7.5290335,14.5493249,-12.730645,0.2121029,-5.860386 PG=C01 [X(H30O15)] 0 -0.581789778 -0.6271271333 1.3902244499 0 -0.241842826 3.4023774284 -0.4067655108 0 2.5773499531 1.6179746322 1.7829452174 0 3.5842187214 0.2688600205 -1.1669736912 0 4.3152601602 0.5105821694 -1.7486984569 0 1.6045367514 2.1808091848 -1.0331713141 0 1.7483902836 2.3288684522 -0.0711402486 0 2.9243653882 1.0000540163 -1.2300294876 0 0.8735996494 1.525061328 -1.0853350364 0 -1.0723380099 3.5273475139 0.0765505677 0 -0.9517604353 2.9940952503 0.8921633787 0 2.0811938519 2.4609303922 1.6985004013 0 1.1786769437 2.270396335 2.022881571 0 -2.1763862386 -3.5284594879 -1.3328508593 0 -1.3990940177 -3.0762505813 -1.7307034573 0 -1.8533071009 -4.3972504033 -1.0640044489 0 -2.8526161146 -2.0548710214 0.9370032235 0 -3.405192171 -1.3031826661 0.6319132253 0 -2.6404787985 -2.5704489175 0.1292945912 0 -2.7000472165 1.8317255108 -1.310792126 0 -2.2015158048 2.5409333998 -0.8368064067 0 -3.0348036004 2.2295740672 -2.1237991946 0 -4.3392411581 0.174280716 0.1883403722 0 -3.7925434924 0.780084355 -0.3571212436 0 -5.1011507338 -0.0417182947 -0.3631913629 0 2.441878553 -2.286253892 -1.0558190148 0 2.8428940583 -1.4016237954 -1.1811674491 0 1.6083025246 -2.2655179668 -1.5694744092 0 -0.4016747559 0.2738597189 -1.1855961188 0 -0.4584400583 -0.0304733335 -0.247673431 0 -1.2415800034 0.7521394803 -1.3466075189 0 1.7651552901 -2.0384979816 1.5588780687 0 1.8704889523 -2.870876498 2.0357044951 0 1.9956619127 -2.2276100674 0.6138824024 0 -0.6005224175 1.9170789318 2.2864744107 0 -0.6594745242 0.9602935435 2.0519661748 0 -1.0242473335 2.017980728 3.1471937352 0 -0.0347956614 -2.1206674719 -2.3603136588 0 -0.2182358589 -1.2068446987 -2.0249099108 0 -0.0038055273 -2.0496082728 -3.3226407666 0 3.5867496881 0.1100266952 1.6496628327 0 3.728727786 0.1554020247 0.6830989544 0 -1.3729261885 -1.2109417722 1.2941383011 0 2.9794621293 -0.6486343019 1.7581682814 0 0.202344689 -1.204018568 1.5202680328 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:-.5818,-.6271,1.3902;-.2418,3.4024,-.4068;2.5774,1.618,1.7829;3.5842,.2689,-1.167;4.3153,.5106,-1.7487;1.6045,2.1808,-1.0332;1.7484,2.3289,-.0711;2.9244,1.0001,-1.23;.8736,1.5251,-1.0853;-1.0723,3.5273,.0766;-.9518,2.9941,.8922;2.0812,2.4609,1.6985;1.1787,2.2704,2.0229;-2.1764,-3.5285,-1.3329;-1.3991,-3.0763,-1.7307;-1.8533,-4.3972,-1.064;-2.8526,-2.0549,.937;-3.4052,-1.3032,.6319;-2.6405,-2.5704,.1293;-2.7,1.8317,-1.3108;-2.2015,2.5409,-.8368;-3.0348,2.2296,-2.1238;-4.3392,.1743,.1883;-3.7925,.7801,-.3571;-5.1012,-.0417,-.3632;2.4419,-2.2863,-1.0558;2.8429,-1.4016,-1.1812;1.6083,-2.2655,-1.5695;-.4017,.2739,-1.1856;-.4584,-.0305,-.2477;-1.2416,.7521,-1.3466;1.7652,-2.0385,1.5589;1.8705,-2.8709,2.0357;1.9957,-2.2276,.6139;-.6005,1.9171,2.2865;-.6595,.9603,2.052;-1.0242,2.018,3.1472;-.0348,-2.1207,-2.3603;-.2182,-1.2068,-2.0249;-.0038,-2.0496,-3.3226;3.5867,.11,1.6497;3.7287,.1554,.6831;-1.3729,-1.2109,1.2941;2.9795,-.6486,1.7582;.2023,-1.204,1.5203; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF777/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/ CONF777 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 1441.6148831054 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) -0.0478026670 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 4.425115 0.000000 3.895494 3.990836 0.000000 4.969676 5.003558 3.396456 0.000000 5.926915 5.561515 4.088907 0.965015 0.000000 4.305505 2.300811 3.032105 2.755466 3.263381 0.000000 4.037727 2.286065 2.151785 2.968965 3.564995 0.983930 0.000000 4.669751 4.058792 3.095200 0.986928 1.563070 1.781820 2.119361 0.000000 3.588658 2.286697 3.337429 2.988672 3.648869 0.983359 1.562036 2.121841 0.000000 4.384750 0.968986 4.458443 5.817870 6.438837 3.195357 3.068334 4.905915 3.024203 0.000000 3.673989 1.535543 3.891249 5.678209 6.394020 3.301970 2.943008 4.848119 3.066023 0.981897 0.000000 4.089329 3.273372 0.981772 3.908350 4.547317 2.787059 1.805499 3.379554 3.175512 3.703070 3.183278 0.000000 3.448933 3.033553 1.561893 4.468552 5.211518 3.086882 2.170926 3.904181 3.210858 3.230356 2.518140 0.977785 0.000000 4.286678 7.255108 7.667593 6.901574 7.656909 6.854264 7.162686 6.821706 5.907770 7.279406 6.999580 7.949143 7.492938 0.000000 4.050479 6.713022 7.084743 6.028347 6.746817 6.094672 6.471176 5.963156 5.172399 6.854228 6.627868 7.384593 7.022887 0.983343 0.000000 4.674808 7.991431 7.994922 7.165883 7.912449 7.431588 7.694068 7.210036 6.519989 8.044255 7.698790 8.375343 7.948541 0.965120 1.547849 0.000000 2.720389 6.197049 6.609837 7.159559 8.072979 6.456685 6.434500 6.884919 5.548914 5.922072 5.395120 6.731628 6.011522 2.789442 3.205090 3.238733 0.000000 3.000615 5.764367 6.756393 7.386418 8.280244 6.325195 6.343933 6.988206 5.408878 5.393019 4.955164 6.738441 5.976380 3.212805 3.570736 3.854574 0.981558 0.000000 3.099136 6.458751 6.892256 6.963393 7.835937 6.476568 6.580703 6.750092 5.531481 6.296425 5.864971 7.076113 6.450225 1.808600 2.292698 2.319656 0.981436 1.563130 0.000000 4.222376 3.054011 6.121096 6.477286 7.152043 4.327629 4.644619 5.686143 3.593859 2.729339 3.043127 5.684365 5.133256 5.385749 5.094805 6.291106 4.492382 3.754861 4.632120 0.000000 4.197593 2.183424 5.527432 6.224633 6.886381 3.828092 4.029017 5.366898 3.248091 1.755641 2.180959 4.977528 4.435844 6.089682 5.744187 6.950630 4.969079 4.287564 5.220371 0.988014 0.000000 5.150377 3.481997 6.865346 6.969316 7.557716 4.766060 5.205978 6.149979 4.104919 3.221339 3.744275 6.390378 5.911856 5.875154 5.566134 6.814243 5.268603 4.495721 5.317156 0.965052 1.564501 0.000000 4.025571 5.250089 7.243359 8.039094 8.874999 6.391146 6.462881 7.446721 5.533585 4.682757 4.463378 6.980783 6.181154 4.549972 4.784678 5.352302 2.782026 1.803359 3.228439 2.771548 3.349902 3.357347 0.000000 3.916938 4.414336 6.771816 7.438671 8.230771 5.616720 5.760422 6.776962 4.781023 3.890378 3.812165 6.446054 5.709507 4.703994 4.742009 5.573609 3.255026 2.338425 3.576301 1.791364 2.421168 2.407559 0.981532 0.000000 4.882806 5.956221 8.143700 8.728011 9.533806 7.096108 7.254046 8.139140 6.218837 5.400272 5.292402 7.880349 7.104608 4.653155 4.978323 5.478165 3.286213 2.336194 3.562573 3.189520 3.911813 3.539534 0.965064 1.545267 0.000000 4.228286 6.323303 4.829072 2.801054 3.436849 4.544921 4.769683 3.326103 4.121467 6.886940 6.572177 5.500193 5.642441 4.790427 3.979024 4.785916 5.661851 6.164666 5.226434 6.592584 6.701553 7.178254 7.320229 6.982738 7.900314 0.000000 4.352052 5.761400 4.239629 1.827643 2.479211 3.793318 4.043102 2.403556 3.528851 6.419163 6.166072 4.877704 5.149687 5.453404 4.593564 5.571518 6.111646 6.506576 5.757677 6.418376 6.411584 6.972911 7.479445 7.033344 8.101005 0.979335 0.000000 4.029969 6.074534 5.221043 3.238722 3.881555 4.478556 4.834565 3.537118 3.891358 6.591853 6.346425 5.765640 5.802079 3.996859 3.118929 4.096648 5.121191 5.559436 4.585950 5.951151 6.176851 6.486260 6.664518 6.317803 7.170576 0.979347 1.556056 0.000000 2.734789 3.227963 4.415141 3.985940 4.756322 2.772106 3.176138 3.404684 1.789380 3.553588 3.466895 4.389297 4.096096 4.198680 3.537687 4.892984 3.991933 3.848574 3.851139 2.779413 2.915597 3.411512 4.171576 3.527127 4.781319 3.828423 3.651642 3.261259 0.000000 1.747547 3.443354 4.007095 4.156658 5.033292 3.124524 3.235391 3.670202 2.212622 3.624925 3.269650 4.055173 3.623475 4.045350 3.515817 4.656264 3.351675 3.328184 3.369699 3.102065 3.161886 3.907085 3.910582 3.432962 4.644161 3.762113 3.694627 3.318736 0.987694 0.000000 3.134956 2.984382 5.012783 4.853263 5.576603 3.199956 3.612868 4.174943 2.267081 3.123428 3.181581 4.820111 4.417715 4.381504 3.850832 5.193293 3.961013 3.580518 3.895484 1.814915 2.093121 2.449998 3.505066 2.736289 4.061232 4.783749 4.620497 4.156652 0.979856 1.559951 0.000000 2.743823 6.123310 3.752287 4.007887 4.892945 4.954500 4.661666 4.284224 4.526112 6.420849 5.757876 4.512674 4.373308 5.110561 4.680892 5.053365 4.659486 5.304003 4.662220 6.568993 6.514981 7.403928 6.636145 6.519469 7.404569 2.712191 3.012471 3.140498 4.192170 3.498595 5.026924 0.000000 3.385960 7.055588 4.551189 4.801246 5.633194 5.916778 5.611689 5.172985 5.482604 7.309978 6.608379 5.346613 5.187625 5.306296 4.991811 5.079830 4.917391 5.679886 4.906474 7.362289 7.356645 8.208408 7.158665 7.150179 7.896999 3.197778 3.667770 3.665040 5.042705 4.324999 5.852457 0.965045 0.000000 3.131694 6.143689 4.061230 3.453596 4.296513 4.722280 4.614314 3.831490 4.269532 6.543767 6.002578 4.813120 4.783807 4.784137 4.212083 4.726225 4.862103 5.479427 4.673988 6.498635 6.516119 7.257202 6.788311 6.594876 7.489829 1.729292 2.149944 2.217776 3.904190 3.404747 4.816862 0.990915 1.565579 0.000000 2.697517 3.096499 3.231389 5.670537 6.513507 3.993981 3.353403 5.062763 3.700785 2.774768 1.796506 2.798766 1.832993 6.725827 6.458233 7.257130 4.761238 4.579719 5.380776 4.166007 3.564724 5.047167 4.627908 4.297715 5.577927 6.172126 5.907237 6.102570 3.846425 3.199227 3.868762 4.666092 5.393821 5.168770 0.000000 1.721581 3.490494 3.313902 5.371088 6.276566 4.016650 3.489755 4.859731 3.537222 3.265347 2.359433 3.144537 2.257436 5.822964 5.581157 6.311718 3.891559 3.831297 4.481873 4.028830 3.636113 4.968931 4.199000 3.956299 5.154173 5.460475 5.319623 5.353831 3.319557 2.512046 3.454342 3.887765 4.591170 4.390964 0.986868 0.000000 3.206136 3.893499 3.872038 6.550528 7.399483 4.940898 4.259324 5.982291 4.664664 3.421893 2.458295 3.455240 2.486095 7.222273 7.062973 7.718596 4.981566 4.798506 5.724824 4.766197 4.187087 5.645394 4.810741 4.634229 5.760756 6.943038 6.736705 6.893884 4.711966 4.005175 4.673739 5.172865 5.789286 5.793320 0.964656 1.565658 0.000000 4.073868 5.862017 6.161765 4.497907 5.120599 4.790764 5.312103 4.446693 3.967630 6.238179 6.130272 6.476297 6.321895 2.761153 1.780690 3.189080 4.337827 4.580532 3.631809 4.881237 5.361555 5.289668 5.503697 5.152457 5.829106 2.804111 3.191944 1.829257 2.692271 3.001939 3.276728 4.313541 4.849526 3.602782 6.181916 5.417634 6.959889 0.000000 3.483014 4.885067 5.504059 4.168023 4.855763 3.972687 4.492895 3.921502 3.088400 5.249591 5.166747 5.709968 5.516084 3.114995 2.230619 3.711534 4.053645 4.150263 3.516714 3.987764 4.403502 4.444300 4.877363 4.416456 5.287881 3.029929 3.181251 2.159734 1.711895 2.144788 2.311914 4.179596 4.860078 3.592566 5.337891 4.638114 6.148155 0.990565 0.000000 4.956674 6.187337 6.795626 4.784988 5.261768 5.071969 5.728307 4.717377 4.307394 6.618059 6.640944 7.064279 6.973902 3.296418 2.352677 3.746134 5.124482 5.269258 4.374835 5.136342 5.664131 5.379179 6.005720 5.581756 6.226788 3.343030 3.620703 2.391464 3.181786 3.706619 3.645077 5.192164 5.735793 4.418797 6.895858 6.194821 7.710080 0.965445 1.562158 0.000000 4.241158 5.452210 1.819494 2.821113 3.498576 3.926182 3.356186 3.086022 4.104110 5.988310 5.430445 2.792102 3.256579 7.439604 6.814534 7.567943 6.830820 7.205569 6.948010 7.159075 6.752470 7.910529 8.059834 7.676596 8.919317 3.791111 3.294239 4.463217 4.896230 4.470256 5.718629 2.818263 3.461266 3.011469 4.604803 4.349163 5.210008 5.845639 5.451105 6.502301 0.000000 4.437673 5.243671 2.162048 1.859173 2.526621 3.400007 3.035551 2.240646 3.626994 5.898148 5.478034 3.010128 3.573650 7.246051 6.524153 7.412026 6.947220 7.281683 6.950090 6.936484 6.570286 7.610928 8.083147 7.618517 8.893837 3.262131 2.585444 3.928249 4.535006 4.293397 5.401830 3.071775 3.800126 2.947381 4.941328 4.666687 5.668486 5.348548 4.976701 5.902527 0.977989 0.000000 0.987911 5.045308 4.883276 5.728889 6.676673 5.077955 4.912928 5.452214 4.265499 4.901455 4.245150 5.057381 4.377381 3.594094 3.553833 3.993015 1.740472 2.139429 2.193584 4.219566 4.393638 5.126527 3.455525 3.541947 4.244229 4.607747 4.892508 4.266161 3.049106 2.146386 3.293096 3.256147 3.718205 3.583818 3.371328 2.407816 3.739162 3.996650 3.514172 4.887996 5.144875 5.316685 0.000000 3.580274 5.610209 2.302135 3.124737 3.927627 4.205680 3.705055 3.413288 4.152724 6.056711 5.428992 3.237258 3.440006 6.665626 6.102237 6.735907 6.055159 6.516187 6.158761 6.915745 6.614361 7.715254 7.530270 7.237109 8.376444 3.299897 3.037324 3.945579 4.576989 4.027989 5.423928 1.856335 2.499041 2.184129 4.436021 3.989590 5.006987 5.311735 4.984832 6.056173 0.977823 1.537416 4.413026 0.000000 0.982131 5.012948 3.697742 4.563739 5.526488 4.465787 4.171825 4.453254 3.832444 5.108323 4.398936 4.122341 3.643817 4.381971 4.079053 4.593571 3.224428 3.716629 3.447258 5.065029 5.035773 5.962207 4.929477 4.839461 5.746775 3.580917 3.782764 3.556685 3.141761 2.222490 3.759049 1.772068 2.413876 2.255052 3.312539 2.389494 3.812177 3.994420 3.570040 4.920496 3.632858 3.870950 1.591434 2.842082 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:-.5203,-.108,1.5423;.3801,3.1645,-1.2969;3.0467,1.3888,1.0828;3.3733,-.8418,-1.4576;4.0561,-.924,-2.1345;1.8488,1.4405,-1.7022;2.1428,1.7861,-.8291;2.8699,-.0193,-1.6678;1.0014,.9754,-1.5219;-.339,3.5902,-.8064;-.2224,3.263,.112;2.7218,2.2742,.8099;1.8493,2.3795,1.2384;-3.0006,-3.1554,-.1716;-2.207,-3.0041,-.7323;-2.8251,-3.9801,.2979;-3.0693,-1.0511,1.6582;-3.4958,-.2937,1.2023;-3.0708,-1.7851,1.0068;-2.4379,2.0174,-1.5615;-1.7508,2.6902,-1.3345;-2.7891,2.2662,-2.4253;-4.1661,1.1994,.4449;-3.585,1.5109,-.2823;-5.0207,1.0316,.0291;1.7688,-2.9622,-.5771;2.3184,-2.2509,-.9657;.8966,-2.8814,-1.0152;-.4997,.0607,-1.1872;-.4939,.0197,-.2004;-1.2411,.6615,-1.41;1.4999,-1.9269,1.9153;1.4981,-2.6165,2.5904;1.5635,-2.3917,1.0424;.0849,2.515,1.7163;-.1935,1.569,1.7541;-.195,2.9195,2.5461;-.773,-2.5692,-1.6942;-.7255,-1.5837,-1.6059;-.8535,-2.748,-2.6395;3.7093,-.2931,1.2892;3.7309,-.5224,.3387;-1.4176,-.5026,1.6654;2.9822,-.8433,1.6426;.1432,-.7966,1.7662; 0.3097486 0.2510682 0.1907740 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= 4.87D-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= 938 938 938 938 938 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.23954379935 -1147.26759111502 -0.028047315667 -1147.26770344516 -0.000112330137 -1147.26772451808 -0.000021072918 -1147.26773553266 -0.000011014582 -1147.26773561870 -0.000000086047 -1147.26773563644 -0.000000017732 -1147.26773563691 -0.000000000477 -1147.26773564 8 1.143215052694e+03 -5.595235871231e+03 1.863170752889e+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. PT3723.900S Thu Jul 18 15:44:19 2024 -19.13042 -19.12905 -19.12851 -19.12840 -19.12782 -19.12306 -19.12255 -19.12240 -19.11963 -19.11696 -19.11436 -19.11291 -19.11184 -19.10988 -19.10988 -1.02983 -1.02365 -1.02160 -1.01895 -1.01700 -1.01264 -1.01107 -1.00668 -1.00449 -1.00241 -0.99795 -0.99500 -0.99263 -0.98712 -0.98450 -0.54526 -0.54214 -0.54074 -0.53816 -0.53755 -0.53260 -0.53051 -0.52936 -0.52850 -0.52534 -0.52402 -0.52322 -0.52240 -0.52013 -0.51604 -0.43774 -0.43449 -0.43286 -0.42446 -0.42000 -0.41488 -0.40489 -0.40046 -0.39355 -0.39189 -0.38829 -0.38663 -0.37885 -0.37678 -0.36567 -0.33354 -0.32979 -0.32842 -0.32758 -0.32638 -0.32417 -0.32261 -0.32181 -0.32040 -0.31840 -0.31801 -0.31624 -0.31570 -0.31262 -0.31051 -0.00297 0.02502 0.02788 0.03943 0.05229 0.05880 0.06692 0.07566 0.08122 0.08516 0.10365 0.10535 0.10790 0.10910 0.11243 0.11660 0.12184 0.12672 0.12947 0.13828 0.14001 0.14782 0.15007 0.15195 0.15915 0.16163 0.16663 0.16812 0.17377 0.17789 0.18237 0.18669 0.18985 0.19404 0.19497 0.20353 0.20754 0.20920 0.21384 0.21488 0.21953 0.22405 0.23129 0.23185 0.23563 0.24023 0.24204 0.24691 0.25042 0.25418 0.25742 0.25770 0.26041 0.26691 0.27207 0.27495 0.27736 0.27991 0.28158 0.28388 0.28730 0.28884 0.29253 0.29456 0.29900 0.30185 0.30222 0.30472 0.30991 0.31110 0.31832 0.32770 0.33267 0.33969 0.35403 0.36813 0.37725 0.39740 0.41424 0.41933 0.43097 0.43594 0.43957 0.45682 0.45956 0.46466 0.47352 0.47656 0.48576 0.48995 0.49101 0.49655 0.50381 0.51185 0.51424 0.51749 0.52199 0.52800 0.53876 0.53948 0.54561 0.55109 0.55794 0.56100 0.56919 0.57163 0.57417 0.57991 0.58060 0.58614 0.59349 0.59540 0.59853 0.61289 0.61632 0.62375 0.62797 0.62972 0.63229 0.64154 0.64780 0.65563 0.66350 0.66715 0.67822 0.68673 0.68986 0.69889 0.70156 0.70665 0.71448 0.72419 0.72955 0.73576 0.74390 0.75684 0.75859 0.76238 0.77212 0.77511 0.78629 0.78894 0.79764 0.80523 0.80988 0.81735 0.82412 0.82500 0.82988 0.83755 0.84060 0.85427 0.85743 0.86058 0.86555 0.86963 0.87472 0.87638 0.88129 0.88813 0.88968 0.89492 0.90400 0.90558 0.90960 0.91238 0.91728 0.91888 0.92220 0.92869 0.93094 0.93789 0.93966 0.94531 0.94862 0.95051 0.95400 0.96103 0.96887 0.97745 0.98051 0.99019 0.99396 0.99670 1.00452 1.00606 1.01511 1.02034 1.02155 1.02357 1.02860 1.03344 1.03698 1.03965 1.04366 1.04548 1.04990 1.05069 1.06267 1.06486 1.06671 1.07112 1.07702 1.08216 1.08453 1.09259 1.09413 1.10091 1.10220 1.10917 1.11344 1.11733 1.12279 1.12973 1.13195 1.13509 1.14164 1.14420 1.15440 1.15719 1.16253 1.16479 1.17269 1.17620 1.18329 1.19002 1.19991 1.20011 1.20431 1.21158 1.22092 1.22323 1.23060 1.23584 1.24340 1.24609 1.25996 1.26967 1.27592 1.28020 1.28940 1.29370 1.29691 1.30346 1.31091 1.32455 1.33312 1.33602 1.34210 1.34964 1.35134 1.36048 1.36856 1.37480 1.38439 1.39100 1.39926 1.40349 1.41213 1.41748 1.42439 1.43220 1.44344 1.44575 1.45269 1.46005 1.47135 1.48214 1.50602 1.50856 1.51098 1.51732 1.52130 1.52893 1.54105 1.54388 1.54597 1.55321 1.55728 1.56282 1.56907 1.57350 1.58173 1.58868 1.59061 1.60261 1.60800 1.61642 1.62263 1.62892 1.65283 1.65538 1.66130 1.68358 1.69305 1.69961 1.71020 1.72387 1.73903 1.74191 1.75860 1.76696 1.79893 1.80171 1.81299 1.82820 1.83165 1.86000 1.86889 1.88013 1.89045 1.89418 1.92437 1.94118 1.96385 1.97205 1.99189 2.01592 2.04235 2.05226 2.08250 2.08674 2.10484 2.13267 2.14887 2.15600 2.17228 2.18387 2.19902 2.21106 2.22742 2.24131 2.24795 2.25989 2.26864 2.27810 2.30192 2.31030 2.33532 2.34907 2.36371 2.37214 2.38163 2.39862 2.47421 2.71009 2.72717 2.73138 2.73545 2.74440 2.75012 2.75875 2.76954 2.78412 2.78831 2.79704 2.80192 2.81699 2.82276 2.83711 2.84684 2.85561 2.87102 2.87335 2.89348 2.90247 2.90607 2.92721 2.95773 2.99673 3.00136 3.02574 3.03289 3.04858 3.08007 3.12508 3.12772 3.13559 3.14709 3.15259 3.15680 3.16504 3.17253 3.19153 3.19691 3.21206 3.21740 3.23028 3.23852 3.25381 3.26217 3.27056 3.28466 3.29335 3.29631 3.30063 3.30522 3.31588 3.32235 3.33017 3.33619 3.34312 3.35760 3.36806 3.37020 3.37480 3.38385 3.39452 3.39729 3.40331 3.40728 3.40948 3.41387 3.42305 3.42857 3.43481 3.43833 3.44525 3.45215 3.45900 3.46511 3.47593 3.48128 3.48641 3.49673 3.49994 3.50276 3.51440 3.52165 3.52517 3.53214 3.53863 3.54367 3.54686 3.54758 3.55771 3.56167 3.57979 3.58183 3.59151 3.60193 3.60525 3.61971 3.62729 3.63231 3.63578 3.66062 3.66123 3.71662 3.72597 3.78093 3.79681 3.82449 3.83280 3.84988 3.87114 3.88156 3.89712 3.93586 3.94734 3.95374 3.98015 3.98318 3.99573 4.01539 4.01970 4.03057 4.03356 4.03509 4.05067 4.06363 4.08183 4.10731 4.11973 4.13278 4.13661 4.15051 4.15509 4.16750 4.17413 4.18513 4.18904 4.19357 4.20142 4.21163 4.21851 4.22999 4.23928 4.24661 4.25903 4.27284 4.27953 4.28439 4.30268 4.31640 4.33260 4.34068 4.35061 4.36499 4.37096 4.37461 4.38535 4.39108 4.39649 4.41219 4.42646 4.43699 4.44752 4.45552 4.51032 4.63450 4.63583 4.64901 4.65173 4.65691 4.66571 4.67565 4.70310 4.72907 4.73553 4.75233 4.76770 4.78638 4.80495 4.83429 4.83867 4.84284 4.86281 4.86495 4.87118 4.88026 4.88463 4.89503 4.90627 4.91617 4.92571 4.93066 4.93641 4.95975 4.98543 5.01934 5.03127 5.04744 5.05155 5.05786 5.06153 5.06930 5.09732 5.11242 5.12425 5.15122 5.16450 5.16966 5.17592 5.18592 5.19617 5.19824 5.20456 5.22110 5.23108 5.24042 5.24549 5.25600 5.26191 5.26705 5.26880 5.27183 5.27907 5.29128 5.29642 5.29881 5.30921 5.31117 5.31660 5.32704 5.33035 5.33279 5.34744 5.35195 5.35641 5.36495 5.36776 5.37206 5.38042 5.38701 5.39184 5.39693 5.40328 5.40436 5.40853 5.41366 5.41987 5.42536 5.42779 5.43428 5.44058 5.44758 5.45600 5.45902 5.46490 5.46974 5.47074 5.47618 5.48474 5.49598 5.49961 5.51327 5.53062 5.55178 5.56144 5.56317 5.57048 5.57241 5.57619 5.57926 5.58320 5.58807 5.59188 5.59271 5.59665 5.59776 5.60064 5.60285 5.60956 5.61713 5.62513 5.63169 5.63734 5.64864 5.65864 5.67089 5.67485 5.67978 5.69604 5.71055 5.71274 5.72317 5.72888 5.73575 5.74760 5.75351 5.76205 5.76854 5.77702 5.78646 5.79891 5.81557 5.84309 5.86064 5.88022 5.89635 5.90987 5.92493 5.93398 5.94469 5.95988 5.97586 6.00320 6.01297 6.06102 6.93791 6.94904 6.95600 6.95783 6.96446 6.97084 6.97232 6.98123 6.99308 6.99484 6.99821 7.00471 7.00917 7.01416 7.01796 7.02564 7.03663 7.03867 7.04702 7.05561 7.06712 7.07493 7.08764 7.10625 7.11107 7.12087 7.14136 7.15459 7.16364 7.20311 14.37249 14.37648 14.38255 14.38306 14.38494 14.38788 14.38990 14.39248 14.39327 14.39594 14.39769 14.39903 14.39990 14.40561 14.40748 14.40949 14.41245 14.41441 14.41692 14.41963 14.42404 14.42820 14.43156 14.43684 14.44127 14.44595 14.44721 14.45121 14.45534 14.46323 14.46846 14.46937 14.47139 14.47973 14.48143 14.48313 14.49228 14.50808 14.51442 14.51887 14.52324 14.52587 14.53674 14.55137 14.60753 14.65879 14.66749 14.67518 14.67703 14.67818 14.68376 14.69468 14.69836 14.70059 14.70572 14.71154 14.72443 14.73004 14.74625 14.77885 15.05198 15.05280 15.05481 15.06150 15.06393 15.06531 15.06825 15.07130 15.07220 15.07446 15.07572 15.07700 15.08095 15.08829 15.09387 50.00069 50.00919 50.02563 50.02859 50.03639 50.04188 50.04577 50.05275 50.05873 50.07372 50.07508 50.09124 50.10203 50.12242 50.15775 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 -0.988977 0.302725 0.440248 -0.746632 0.309128 -0.950339 0.469000 0.458084 0.476739 -0.742066 0.428758 -0.875244 0.413783 -0.790515 0.490941 0.293997 -0.928896 0.480805 0.461893 -0.802648 0.489600 0.289723 -0.791626 0.481378 0.300681 -0.854158 0.413365 0.438623 -0.959175 0.572863 0.445646 -0.798833 0.309761 0.495493 -0.756092 0.454325 0.308465 -0.842237 0.546872 0.294506 -0.810894 0.400795 0.510180 0.402775 0.457179 -0.00000 -5.0339 -4.0167 -4.9852 8.1441 -120.2791 -109.1602 -84.8199 -14.9343 7.0591 0.3843 -15.5260 -4.4071 19.9332 -14.9343 7.0591 0.3843 -86.4540 -96.7575 -31.5381 -56.1572 0.8225 -128.1301 -1.3973 -11.5968 33.3320 9.9794 -3484.9061 -2824.8955 -1007.3697 -310.0624 -105.3084 75.9075 -27.3465 104.7973 71.6554 -1195.6195 -791.4114 -449.2741 -80.2110 45.2149 -125.9622 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CABRERA LAMSABHI 18-Jul-2024 0 Single Point 15-agua/ CONF777 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2677356 RMSD=6.799e-09 Dipole=-1.4233578,-1.3529734,-2.5317913 Quadrupole=-6.8279301,-7.1629132,13.9908433,-12.3584088,0.1238028,-5.7560464 PG=C01 [X(H30O15)] 0 -0.581789778 -0.6271271333 1.3902244499 0 -0.241842826 3.4023774284 -0.4067655108 0 2.5773499531 1.6179746322 1.7829452174 0 3.5842187214 0.2688600205 -1.1669736912 0 4.3152601602 0.5105821694 -1.7486984569 0 1.6045367514 2.1808091848 -1.0331713141 0 1.7483902836 2.3288684522 -0.0711402486 0 2.9243653882 1.0000540163 -1.2300294876 0 0.8735996494 1.525061328 -1.0853350364 0 -1.0723380099 3.5273475139 0.0765505677 0 -0.9517604353 2.9940952503 0.8921633787 0 2.0811938519 2.4609303922 1.6985004013 0 1.1786769437 2.270396335 2.022881571 0 -2.1763862386 -3.5284594879 -1.3328508593 0 -1.3990940177 -3.0762505813 -1.7307034573 0 -1.8533071009 -4.3972504033 -1.0640044489 0 -2.8526161146 -2.0548710214 0.9370032235 0 -3.405192171 -1.3031826661 0.6319132253 0 -2.6404787985 -2.5704489175 0.1292945912 0 -2.7000472165 1.8317255108 -1.310792126 0 -2.2015158048 2.5409333998 -0.8368064067 0 -3.0348036004 2.2295740672 -2.1237991946 0 -4.3392411581 0.174280716 0.1883403722 0 -3.7925434924 0.780084355 -0.3571212436 0 -5.1011507338 -0.0417182947 -0.3631913629 0 2.441878553 -2.286253892 -1.0558190148 0 2.8428940583 -1.4016237954 -1.1811674491 0 1.6083025246 -2.2655179668 -1.5694744092 0 -0.4016747559 0.2738597189 -1.1855961188 0 -0.4584400583 -0.0304733335 -0.247673431 0 -1.2415800034 0.7521394803 -1.3466075189 0 1.7651552901 -2.0384979816 1.5588780687 0 1.8704889523 -2.870876498 2.0357044951 0 1.9956619127 -2.2276100674 0.6138824024 0 -0.6005224175 1.9170789318 2.2864744107 0 -0.6594745242 0.9602935435 2.0519661748 0 -1.0242473335 2.017980728 3.1471937352 0 -0.0347956614 -2.1206674719 -2.3603136588 0 -0.2182358589 -1.2068446987 -2.0249099108 0 -0.0038055273 -2.0496082728 -3.3226407666 0 3.5867496881 0.1100266952 1.6496628327 0 3.728727786 0.1554020247 0.6830989544 0 -1.3729261885 -1.2109417722 1.2941383011 0 2.9794621293 -0.6486343019 1.7581682814 0 0.202344689 -1.204018568 1.5202680328