Gaussian 16 GINC-CABRERA LAMSABHI Optimization 15-agua/ CONF17 gas 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 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:1.591,2.0942,1.078;-1.4746,3.3562,-.0935;.462,3.9519,-.9635;3.6261,-.6875,-.4001;4.4281,-.8226,-.9092;2.1946,1.1845,-1.4861;2.0234,1.6564,-.6472;3.0931,.006,-.8976;1.3301,.7791,-1.698;-2.4005,2.9993,-.103;-2.977,3.7646,-.0665;.0629,3.9782,-.0907;.6602,3.4408,.4709;-2.6398,.8692,-1.9648;-2.6496,1.6869,-1.4394;-3.1399,.2243,-1.4363;-1.9866,-3.0334,.0168;-1.4322,-3.0663,-.7812;-1.3441,-2.9525,.7414;-2.6389,.8613,1.759;-2.6542,1.6841,1.2419;-3.1354,.2178,1.2235;-3.6408,-1.0001,-.0869;-4.522,-1.377,-.061;-3.009,-1.7717,-.0468;2.0223,-2.9713,-.0915;2.6121,-2.2024,-.2021;1.4523,-2.9898,-.8798;-.2315,-.096,-1.4826;-1.1006,.296,-1.7699;-.2484,-.0627,-.4968;.2414,-2.554,1.7444;.4306,-3.0415,2.5476;.9768,-2.755,1.0922;-.1838,.0878,1.2346;-.0127,-.807,1.5892;-1.0935,.3631,1.534;-.0238,-2.6479,-1.9863;-.1067,-1.6598,-1.8841;-.0679,-2.8399,-2.9244;3.898,.8611,1.9229;3.9165,.2616,1.1536;2.431,1.8514,1.5168;3.7765,.2958,2.6872;.9654,1.3577,1.2617; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6372089/Gau-3729.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6372089/" chk=/home/lamsabhi/diver/BF3-H2O/15-agua/gas/CONF17/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 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=1,71=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5/2 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=1,71=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 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/ CONF17 gas 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 R53 1 1 1 1 2 2 3 4 4 4 4 6 6 6 9 10 10 10 12 14 14 14 16 17 17 17 18 19 20 20 20 22 23 23 26 26 26 28 29 29 29 31 32 32 32 35 35 35 38 38 41 41 41 7 13 43 45 10 12 12 5 8 27 42 7 8 9 29 11 15 21 13 15 16 30 23 18 19 25 38 32 21 22 37 23 24 25 27 28 34 38 30 31 39 35 33 34 36 36 37 45 39 40 42 43 44 1.8317 1.7459 0.9783 0.9836 0.9924 1.6585 0.9601 0.9595 1.0062 1.8336 1.8437 0.9776 1.5945 0.9781 1.803 0.9588 1.8896 1.8981 0.9803 0.972 0.9723 1.654 1.8897 0.9722 0.9718 1.6252 1.9003 1.918 0.9719 0.9733 1.6393 1.859 0.9587 0.9981 0.9754 0.9729 1.5941 1.8762 0.9957 0.9865 1.6193 1.7391 0.9584 1.0033 1.7722 0.9775 0.9964 1.7129 0.9969 0.9585 0.9755 1.816 0.9583 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 7 7 7 13 13 43 5 5 5 8 8 27 7 7 8 1 6 2 2 2 11 11 15 2 2 3 1 15 15 16 10 14 18 18 19 17 17 21 21 22 10 20 16 16 16 22 22 24 27 27 28 26 9 9 9 30 30 31 19 19 19 33 33 34 31 31 31 36 36 37 32 18 18 18 28 28 39 42 42 43 1 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 7 9 10 10 10 10 10 10 12 12 12 13 14 14 14 15 16 17 17 17 18 19 20 20 20 21 22 23 23 23 23 23 23 26 26 26 28 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 36 38 38 38 38 38 38 41 41 41 43 13 43 45 43 45 45 8 27 42 27 42 42 8 9 9 6 29 11 15 21 15 21 21 3 13 13 12 16 30 30 14 23 19 25 25 38 32 22 37 37 20 23 22 24 25 24 25 25 28 34 34 38 30 31 39 31 39 39 33 34 36 34 36 36 36 37 45 37 45 45 35 28 39 40 39 40 40 43 44 44 41 89.0064 99.2259 98.4532 143.6229 107.6618 106.0534 106.1067 113.7801 112.8242 109.2601 98.3537 114.926 97.974 103.3684 105.7606 164.7852 160.1971 105.8748 112.3072 111.5345 120.1349 116.4728 90.1291 111.9346 111.1161 104.6248 161.2427 105.0066 103.7238 100.6502 164.8553 162.6025 103.7563 110.6645 112.3607 159.3479 162.5088 105.0096 101.4826 101.7979 164.0423 163.667 90.3884 121.169 111.2066 119.2384 107.8219 106.0747 106.0998 111.953 102.7071 159.2778 122.0302 96.7609 111.8608 105.0728 112.0869 106.3611 119.7227 102.9651 92.321 107.3477 127.0938 104.2166 106.7619 106.8079 96.0145 107.6809 123.7378 113.7601 163.5705 99.725 95.2495 122.8477 100.6931 125.2403 107.1616 100.0258 105.5989 113.4325 158.3262 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 10 4 17 4 14 29 26 20 29 4 1 10 4 17 4 14 29 26 20 29 4 1 2 8 25 27 30 31 34 37 39 42 45 2 8 25 27 30 31 34 37 39 42 45 12 6 23 26 29 35 32 35 38 41 35 12 6 23 26 29 35 32 35 38 41 35 18 17 1 2 2 2 1 2 4 1 2 18 17 1 2 2 2 1 2 4 1 2 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 180.8906 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 178.7123 180.3026 176.3154 177.1866 178.215 176.8613 173.7808 176.9632 167.9533 173.7463 179.4044 172.1254 179.9966 180.1298 169.1097 184.0082 172.7975 187.6325 171.8932 179.8954 169.9865 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 13 43 45 7 43 45 7 7 7 13 13 13 43 43 43 7 13 45 5 5 27 27 42 42 5 5 8 8 42 42 5 5 8 8 27 27 11 11 15 15 21 21 8 9 7 8 6 6 6 2 11 21 2 11 15 2 3 16 30 15 30 15 15 15 16 16 16 14 14 14 19 25 18 25 18 18 18 19 19 19 17 17 17 17 17 17 22 37 21 37 21 21 21 22 22 22 20 20 20 27 34 27 27 27 28 28 28 26 26 26 9 9 9 30 30 30 39 39 39 9 9 9 30 30 30 31 31 31 19 33 34 31 37 45 42 44 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 4 4 4 4 4 4 10 10 10 10 10 10 6 6 6 6 9 9 9 10 10 10 10 10 10 12 12 14 14 14 14 14 14 14 14 14 14 16 16 16 17 17 17 17 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 20 20 20 20 22 22 22 26 26 26 26 26 26 26 26 28 28 28 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 32 32 32 35 35 35 41 41 7 7 7 13 13 13 35 35 35 35 35 35 35 35 35 43 43 43 6 6 6 6 6 6 26 26 26 26 26 26 41 41 41 41 41 41 12 12 12 12 12 12 7 7 9 9 29 29 29 15 15 15 21 21 21 13 13 15 15 16 16 29 29 29 29 29 29 23 23 23 18 18 19 19 23 23 23 23 23 23 38 38 38 32 32 32 21 21 22 22 35 35 35 35 35 35 23 23 23 28 28 32 32 32 32 32 32 38 38 38 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 38 38 38 36 36 36 36 36 36 43 43 6 6 6 12 12 12 31 36 37 31 36 37 31 36 37 41 41 41 7 9 7 9 7 9 28 34 28 34 28 34 43 44 43 44 43 44 3 13 3 13 3 13 1 1 29 29 30 31 39 14 14 14 20 20 20 1 1 10 10 23 23 9 31 39 9 31 39 22 24 25 38 38 32 32 16 22 24 16 22 24 28 39 40 33 34 36 10 10 23 23 31 36 45 31 36 45 16 24 25 38 38 19 33 36 19 33 36 18 39 40 36 37 45 36 37 45 36 37 45 18 28 40 18 28 40 18 28 40 35 35 35 32 32 32 1 1 -134.5066 81.1045 -26.7966 39.4613 143.7506 -59.0947 -17.9022 94.4353 -127.3016 71.5404 -176.1221 -37.8589 -118.5062 -6.1687 132.0944 -44.6427 -145.6466 56.9944 -133.13 121.4026 101.0903 -4.3771 -17.1345 -122.6019 -86.5403 163.4292 31.8039 -78.2266 140.3857 30.3552 133.3168 -111.0116 22.9324 138.6041 -90.7714 24.9002 -103.4447 139.7988 29.1172 -87.6392 128.957 12.2005 -48.6279 59.7449 -43.924 58.505 126.7145 14.1914 -96.492 73.6295 -160.9178 -39.8037 -74.5359 163.7947 39.6027 63.1294 -57.8425 65.1913 -40.0229 -71.6945 35.7832 -53.8885 51.3253 163.1626 -161.1213 -55.9075 55.9298 48.5983 173.6954 -60.7269 -41.145 79.5813 26.2058 -93.3694 -14.5211 -112.2282 118.9979 101.0169 3.3097 -125.4641 57.3837 -44.4336 -158.7655 -156.9488 -38.0173 67.1449 -64.9123 40.7801 74.3775 -31.0818 -59.857 -172.7852 41.8196 47.2509 -65.6774 148.9274 -50.9445 -177.5955 61.5227 -90.9814 26.6616 126.3782 -106.0345 32.0783 14.4571 142.0444 -79.8427 -47.9854 49.301 169.3713 -109.3131 134.8839 18.2268 125.6698 9.8668 -106.7903 5.2799 -110.5231 132.8197 151.5136 51.4505 -81.5463 -64.7629 -164.826 62.1771 48.362 -51.7011 175.3021 -49.6229 179.6288 54.376 -5.8716 108.5205 -115.3072 17.6376 -94.3397 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1466.3596081576 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= 8.20D-05 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Berny optimization. local minimum Step number 32 out of a maximum of 270 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00019 0.00064 0.00106 0.00367 0.00470 0.00565 0.00601 0.00615 0.00675 0.00709 0.00722 0.00749 0.00785 0.00857 0.00873 0.01034 0.01070 0.01399 0.01488 0.01575 0.01599 0.01693 0.01752 0.02017 0.02121 0.02264 0.02447 0.02639 0.02931 0.03057 0.03155 0.03321 0.03543 0.03558 0.03700 0.03771 0.03995 0.04205 0.04245 0.04297 0.04444 0.04505 0.04607 0.04866 0.04947 0.04986 0.05024 0.05118 0.05189 0.05286 0.05368 0.05396 0.05479 0.05503 0.05575 0.05696 0.05785 0.05880 0.05915 0.05977 0.06092 0.06202 0.06376 0.06519 0.06685 0.06860 0.06957 0.07148 0.07415 0.07478 0.07502 0.07607 0.07664 0.07995 0.08156 0.08332 0.08534 0.08694 0.08793 0.08892 0.09097 0.09357 0.09631 0.09782 0.10035 0.10430 0.10669 0.10940 0.12120 0.12588 0.12796 0.13192 0.13485 0.13914 0.14671 0.15421 0.15819 0.16708 0.19461 0.37569 0.39997 0.40223 0.41882 0.42695 0.44920 0.45509 0.45565 0.45929 0.46128 0.46791 0.47047 0.48140 0.48542 0.49063 0.49803 0.50279 0.50440 0.51119 0.51194 0.51428 0.51530 0.53706 0.55504 0.55646 0.55736 0.55774 0.55812 0.55836 0.61674 -1.59653574e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 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 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 3.48779 3.31286 1.84596 1.86111 1.87325 3.21572 1.81823 1.81905 1.89809 3.49623 3.49673 1.85044 3.08657 1.84968 3.46350 1.81806 3.59772 3.56252 1.85861 1.84007 1.84164 3.24003 3.57801 1.84159 1.84183 3.15734 3.58658 3.59992 1.84121 1.84216 3.19393 3.54131 1.81758 1.88280 1.84623 1.84300 3.11276 3.54650 1.87317 1.86345 3.14865 3.35540 1.81686 1.88829 3.42967 1.84676 1.87679 3.29024 1.88264 1.81726 1.84898 3.49759 1.81581 1.63128 1.75174 1.73785 2.46965 1.86797 1.84674 1.85692 2.02716 2.01846 1.85879 1.71450 1.94931 1.75305 1.79870 1.92009 2.86079 2.76863 1.85252 1.95522 1.92120 2.15460 2.06714 1.49185 2.03717 2.01552 1.83851 2.87252 1.84276 1.88210 1.78837 2.88663 2.85724 1.81817 1.98722 2.03099 2.80878 2.84747 1.84218 1.83333 1.81043 2.88005 2.84228 1.48554 2.15039 1.93862 2.13976 1.86340 1.85533 1.85613 2.04101 1.83278 2.81026 2.15869 1.69558 1.89774 1.81997 1.98876 1.85122 2.14119 1.80052 1.55075 1.87650 2.23952 1.78738 1.91328 1.85397 1.64303 1.87400 2.14203 2.00358 2.84326 1.70711 1.65636 2.17089 1.77643 2.17693 1.87645 1.83315 1.86383 2.22569 2.71046 3.12055 3.08844 3.11130 3.05797 3.08210 3.09290 3.07418 3.03620 3.05068 2.88933 3.01442 3.14798 2.98566 3.13914 3.13915 2.92074 3.18987 2.96100 3.28194 2.93161 3.22018 2.96257 -2.35483 1.41657 -0.47125 0.78299 2.72823 -0.98178 -0.32497 1.66993 -2.20732 1.32028 -2.96800 -0.56207 -2.11310 -0.11820 2.28773 -0.64339 -2.54913 1.15691 -2.34617 2.07481 1.71817 -0.14403 -0.26502 -2.12722 -1.46793 2.81019 0.59264 -1.41242 2.43055 0.42548 2.35658 -1.54474 0.42817 2.81003 -1.48005 0.90181 -1.58016 2.53345 0.82358 -1.34599 2.44412 0.27455 -0.87850 1.10379 -0.76292 1.09427 2.15095 0.18788 -1.72672 1.19247 -2.84263 -0.72466 -1.18559 2.96282 0.76596 0.97607 -1.29866 1.21139 -0.69057 -1.39967 0.56884 -0.91904 0.91371 2.85441 -2.82640 -0.99365 0.94705 0.95782 -3.12311 -0.89397 -0.84832 1.38178 0.49644 -1.70643 -0.36612 -1.94852 2.02072 1.74026 0.15786 -2.15608 1.05083 -0.74037 -2.74974 -2.75362 -0.63920 1.14936 -1.27720 0.62977 1.47068 -0.45266 -1.05280 -3.07392 0.68270 0.85280 -1.16831 2.58831 -1.00452 3.06709 0.92509 -1.73457 0.43970 2.20847 -1.78673 0.63831 0.20013 2.48810 -1.37004 -0.73492 0.95287 3.06889 -1.87306 2.37863 0.33855 2.19904 0.16755 -1.87254 0.07656 -1.95493 2.28817 2.61268 0.90485 -1.42348 -1.12279 -2.83061 1.12424 0.83568 -0.87214 3.08271 -0.90036 3.07447 0.90127 -0.04772 1.95912 -1.94449 0.11654 -2.07708 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -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 0.00009 -0.00003 0.00001 0.00000 0.00001 -0.00006 -0.00000 0.00001 0.00003 0.00006 -0.00005 -0.00000 -0.00006 -0.00000 0.00004 0.00000 -0.00004 0.00006 0.00001 0.00001 0.00001 0.00002 -0.00004 -0.00000 0.00000 -0.00003 0.00007 -0.00003 0.00000 0.00001 -0.00008 -0.00002 0.00000 0.00001 0.00000 -0.00000 0.00005 0.00013 0.00000 -0.00001 -0.00002 0.00009 0.00000 -0.00000 0.00011 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00009 0.00000 0.00026 0.00003 -0.00005 -0.00008 -0.00003 -0.00003 -0.00006 0.00007 0.00002 -0.00003 0.00002 -0.00003 0.00001 0.00001 0.00002 -0.00010 -0.00001 -0.00004 0.00010 -0.00007 0.00005 -0.00002 -0.00003 0.00009 -0.00004 0.00001 0.00005 -0.00003 0.00005 0.00004 0.00001 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00006 -0.00004 0.00004 -0.00000 -0.00005 -0.00006 -0.00006 0.00003 0.00002 0.00003 0.00001 -0.00002 -0.00002 0.00003 -0.00003 0.00005 -0.00004 0.00003 0.00000 -0.00002 0.00008 -0.00008 -0.00003 -0.00003 -0.00004 -0.00003 0.00012 -0.00000 0.00005 0.00001 -0.00006 0.00000 -0.00001 0.00001 -0.00008 -0.00004 -0.00006 0.00006 0.00009 -0.00003 -0.00001 0.00003 0.00001 -0.00005 0.00003 0.00012 0.00008 0.00007 -0.00008 0.00004 -0.00010 -0.00001 0.00002 -0.00015 -0.00005 0.00011 0.00002 0.00009 0.00006 0.00003 -0.00009 0.00002 0.00005 -0.00007 0.00004 -0.00003 0.00011 -0.00018 -0.00020 -0.00016 0.00011 0.00047 0.00008 0.00001 0.00005 -0.00000 0.00029 0.00033 0.00028 -0.00002 0.00002 -0.00003 -0.00005 -0.00049 -0.00011 0.00011 0.00008 0.00011 0.00008 0.00012 0.00009 0.00001 0.00007 -0.00005 0.00001 -0.00008 -0.00001 -0.00022 -0.00027 -0.00016 -0.00021 -0.00012 -0.00017 0.00041 0.00031 0.00052 0.00042 0.00054 0.00044 0.00013 0.00015 0.00002 0.00004 -0.00022 -0.00020 -0.00013 -0.00004 0.00007 0.00004 0.00001 0.00013 0.00010 -0.00043 -0.00052 -0.00005 -0.00011 -0.00034 -0.00028 0.00004 0.00005 -0.00005 0.00005 0.00006 -0.00004 0.00038 0.00038 0.00039 -0.00008 -0.00011 -0.00010 -0.00006 -0.00009 -0.00005 -0.00005 -0.00011 -0.00007 -0.00007 0.00008 0.00001 0.00005 0.00023 0.00013 0.00012 -0.00016 -0.00016 0.00032 0.00028 -0.00006 -0.00015 -0.00011 -0.00008 -0.00017 -0.00013 -0.00028 -0.00028 -0.00028 -0.00013 -0.00012 -0.00001 -0.00009 0.00003 0.00001 -0.00007 0.00005 0.00012 0.00007 0.00012 0.00010 0.00006 0.00008 0.00015 0.00012 0.00013 0.00011 0.00007 0.00009 -0.00005 -0.00000 0.00002 -0.00001 0.00004 0.00006 -0.00003 0.00001 0.00004 0.00015 0.00016 0.00011 -0.00016 -0.00012 -0.00011 0.00012 0.00011 -0.00003 0.00004 0.00001 0.00000 0.00001 -0.00006 0.00000 -0.00000 -0.00000 -0.00002 -0.00005 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00002 -0.00001 0.00000 0.00000 -0.00005 -0.00008 -0.00003 0.00000 0.00000 -0.00001 0.00002 0.00000 0.00002 0.00000 0.00000 -0.00003 -0.00005 0.00001 -0.00001 -0.00001 0.00007 0.00000 0.00001 -0.00004 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 -0.00002 0.00000 -0.00001 -0.00001 -0.00002 0.00001 0.00002 -0.00001 0.00004 -0.00001 0.00000 -0.00000 0.00001 -0.00003 0.00003 0.00002 0.00003 0.00002 0.00000 -0.00002 0.00002 0.00002 -0.00001 -0.00001 0.00001 0.00004 -0.00001 0.00000 -0.00002 0.00001 -0.00000 -0.00003 -0.00002 -0.00001 0.00004 0.00000 -0.00002 -0.00002 0.00000 0.00001 0.00001 0.00000 -0.00002 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00002 0.00001 0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00004 -0.00001 -0.00000 -0.00000 0.00004 0.00002 -0.00003 0.00002 0.00003 -0.00001 -0.00002 0.00001 -0.00003 -0.00001 -0.00000 0.00002 -0.00000 -0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00001 0.00002 -0.00007 -0.00000 0.00001 0.00001 -0.00006 0.00001 -0.00003 -0.00001 0.00007 -0.00003 -0.00000 -0.00007 0.00000 0.00000 0.00003 0.00004 -0.00002 0.00005 -0.00004 0.00006 0.00001 0.00002 0.00001 0.00003 -0.00001 -0.00003 0.00000 0.00001 -0.00000 -0.00002 -0.00000 -0.00002 -0.00003 0.00002 0.00001 -0.00001 0.00006 0.00008 0.00004 0.00002 -0.00001 -0.00001 -0.00003 0.00004 0.00001 -0.00007 -0.00010 -0.00002 -0.00006 -0.00002 -0.00006 0.00010 0.00011 0.00004 0.00005 0.00004 0.00005 0.00000 -0.00003 -0.00002 -0.00005 0.00001 -0.00002 -0.00007 -0.00003 0.00004 0.00009 -0.00004 -0.00006 -0.00005 -0.00007 -0.00009 -0.00010 0.00001 0.00002 0.00003 0.00000 -0.00004 0.00007 0.00010 -0.00005 -0.00006 0.00000 0.00003 0.00004 0.00000 0.00003 0.00004 0.00007 0.00008 0.00006 0.00004 0.00005 -0.00007 -0.00009 -0.00004 -0.00003 -0.00004 0.00001 0.00001 -0.00000 -0.00004 -0.00004 -0.00005 0.00013 0.00009 0.00011 0.00002 0.00003 0.00004 0.00003 -0.00005 -0.00001 -0.00002 -0.00004 -0.00001 -0.00002 -0.00008 -0.00006 -0.00007 0.00001 0.00002 0.00001 -0.00006 0.00001 -0.00002 -0.00009 -0.00002 -0.00002 -0.00002 -0.00002 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00002 -0.00002 -0.00004 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00003 0.00001 -0.00005 0.00007 0.00007 0.00006 -0.00007 -0.00005 0.00006 0.00002 0.00001 0.00001 0.00003 -0.00012 0.00000 0.00001 0.00002 0.00004 -0.00010 0.00000 -0.00006 -0.00000 0.00003 0.00001 -0.00005 0.00007 0.00001 0.00001 0.00001 0.00000 -0.00005 0.00000 0.00000 -0.00008 -0.00001 -0.00007 0.00000 0.00001 -0.00009 0.00001 0.00001 0.00002 0.00000 -0.00000 0.00002 0.00008 0.00001 -0.00001 -0.00003 0.00015 0.00001 0.00000 0.00007 -0.00000 0.00002 0.00001 0.00001 0.00000 0.00001 -0.00011 0.00000 0.00025 0.00002 -0.00007 -0.00008 -0.00001 -0.00005 -0.00002 0.00006 0.00002 -0.00004 0.00002 -0.00006 0.00004 0.00002 0.00005 -0.00008 -0.00001 -0.00005 0.00012 -0.00005 0.00004 -0.00003 -0.00002 0.00013 -0.00005 0.00001 0.00003 -0.00002 0.00005 0.00001 -0.00001 0.00001 0.00003 -0.00002 -0.00002 -0.00002 0.00006 -0.00003 0.00005 0.00000 -0.00007 -0.00005 -0.00007 0.00003 0.00003 0.00004 0.00002 -0.00004 -0.00000 0.00002 -0.00002 0.00006 -0.00003 0.00004 -0.00002 -0.00002 0.00008 -0.00008 -0.00007 -0.00004 -0.00004 -0.00003 0.00016 0.00002 0.00002 0.00003 -0.00003 -0.00001 -0.00002 0.00002 -0.00011 -0.00005 -0.00006 0.00008 0.00008 -0.00004 0.00000 0.00001 0.00002 -0.00005 0.00003 0.00014 0.00000 0.00007 -0.00007 0.00005 -0.00016 0.00000 -0.00001 -0.00016 0.00002 0.00008 0.00002 0.00002 0.00006 0.00003 -0.00005 0.00006 0.00003 -0.00002 0.00000 0.00003 0.00012 -0.00016 -0.00019 -0.00012 0.00010 0.00044 0.00008 0.00002 0.00004 -0.00002 0.00029 0.00031 0.00025 0.00000 0.00002 -0.00004 0.00001 -0.00041 -0.00007 0.00013 0.00007 0.00010 0.00004 0.00016 0.00010 -0.00006 -0.00003 -0.00007 -0.00004 -0.00010 -0.00007 -0.00013 -0.00016 -0.00012 -0.00016 -0.00008 -0.00012 0.00041 0.00028 0.00050 0.00037 0.00055 0.00042 0.00006 0.00013 0.00006 0.00013 -0.00027 -0.00026 -0.00018 -0.00011 -0.00002 -0.00006 0.00001 0.00015 0.00013 -0.00042 -0.00056 0.00001 -0.00000 -0.00039 -0.00034 0.00004 0.00008 -0.00001 0.00005 0.00009 -0.00001 0.00045 0.00046 0.00046 -0.00004 -0.00006 -0.00017 -0.00016 -0.00013 -0.00008 -0.00010 -0.00010 -0.00005 -0.00007 0.00004 -0.00003 -0.00001 0.00036 0.00022 0.00023 -0.00015 -0.00013 0.00036 0.00031 -0.00011 -0.00016 -0.00013 -0.00013 -0.00017 -0.00015 -0.00036 -0.00035 -0.00035 -0.00012 -0.00010 -0.00001 -0.00015 0.00004 -0.00001 -0.00016 0.00004 0.00011 0.00004 0.00010 0.00011 0.00007 0.00007 0.00016 0.00012 0.00012 0.00009 0.00005 0.00005 -0.00006 0.00000 0.00003 -0.00001 0.00005 0.00008 -0.00004 0.00002 0.00005 0.00012 0.00016 0.00006 -0.00009 -0.00005 -0.00004 0.00005 0.00006 3.48785 3.31287 1.84597 1.86111 1.87327 3.21560 1.81823 1.81905 1.89811 3.49627 3.49663 1.85044 3.08651 1.84968 3.46353 1.81807 3.59767 3.56258 1.85861 1.84008 1.84165 3.24003 3.57796 1.84160 1.84184 3.15726 3.58657 3.59985 1.84121 1.84216 3.19384 3.54132 1.81759 1.88282 1.84623 1.84300 3.11279 3.54658 1.87318 1.86344 3.14862 3.35555 1.81687 1.88829 3.42973 1.84676 1.87681 3.29025 1.88265 1.81726 1.84899 3.49748 1.81581 1.63154 1.75176 1.73778 2.46958 1.86797 1.84669 1.85690 2.02721 2.01848 1.85875 1.71453 1.94925 1.75309 1.79873 1.92014 2.86071 2.76863 1.85247 1.95534 1.92115 2.15463 2.06711 1.49184 2.03730 2.01547 1.83852 2.87255 1.84274 1.88215 1.78837 2.88662 2.85725 1.81820 1.98720 2.03097 2.80876 2.84753 1.84215 1.83338 1.81043 2.87998 2.84223 1.48546 2.15042 1.93865 2.13980 1.86342 1.85529 1.85613 2.04103 1.83277 2.81032 2.15866 1.69562 1.89772 1.81996 1.98885 1.85113 2.14112 1.80048 1.55071 1.87647 2.23967 1.78740 1.91330 1.85400 1.64299 1.87399 2.14201 2.00360 2.84315 1.70705 1.65629 2.17097 1.77652 2.17689 1.87645 1.83316 1.86384 2.22563 2.71048 3.12069 3.08844 3.11137 3.05791 3.08215 3.09274 3.07419 3.03619 3.05053 2.88935 3.01450 3.14800 2.98568 3.13919 3.13918 2.92069 3.18993 2.96102 3.28192 2.93161 3.22021 2.96269 -2.35499 1.41638 -0.47137 0.78309 2.72867 -0.98170 -0.32495 1.66997 -2.20735 1.32057 -2.96769 -0.56183 -2.11310 -0.11818 2.28769 -0.64338 -2.54954 1.15684 -2.34605 2.07488 1.71827 -0.14399 -0.26486 -2.12712 -1.46799 2.81016 0.59257 -1.41247 2.43044 0.42541 2.35646 -1.54490 0.42805 2.80987 -1.48013 0.90169 -1.57975 2.53374 0.82409 -1.34562 2.44468 0.27497 -0.87844 1.10392 -0.76286 1.09441 2.15068 0.18761 -1.72691 1.19236 -2.84265 -0.72472 -1.18557 2.96298 0.76610 0.97565 -1.29922 1.21140 -0.69057 -1.40007 0.56849 -0.91900 0.91379 2.85440 -2.82635 -0.99356 0.94705 0.95828 -3.12265 -0.89351 -0.84836 1.38172 0.49627 -1.70659 -0.36625 -1.94860 2.02062 1.74016 0.15781 -2.15615 1.05087 -0.74039 -2.74975 -2.75326 -0.63897 1.14959 -1.27735 0.62963 1.47104 -0.45235 -1.05292 -3.07407 0.68257 0.85268 -1.16848 2.58816 -1.00488 3.06674 0.92475 -1.73469 0.43960 2.20846 -1.78689 0.63835 0.20012 2.48795 -1.37000 -0.73481 0.95291 3.06898 -1.87296 2.37870 0.33862 2.19920 0.16767 -1.87241 0.07665 -1.95488 2.28822 2.61262 0.90485 -1.42344 -1.12280 -2.83056 1.12432 0.83564 -0.87213 3.08276 -0.90024 3.07463 0.90134 -0.04781 1.95907 -1.94453 0.11659 -2.07702 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.001456 0.000154 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.982597e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 1 1 1 1 2 2 3 4 4 4 4 6 6 6 9 10 10 10 12 14 14 14 16 17 17 17 18 19 20 20 20 22 23 23 26 26 26 28 29 29 29 31 32 32 32 35 35 35 38 38 41 41 41 7 13 43 45 10 12 12 5 8 27 42 7 8 9 29 11 15 21 13 15 16 30 23 18 19 25 38 32 21 22 37 23 24 25 27 28 34 38 30 31 39 35 33 34 36 36 37 45 39 40 42 43 44 1.8457 1.7531 0.9768 0.9849 0.9913 1.7017 0.9622 0.9626 1.0044 1.8501 1.8504 0.9792 1.6333 0.9788 1.8328 0.9621 1.9038 1.8852 0.9835 0.9737 0.9746 1.7146 1.8934 0.9745 0.9747 1.6708 1.8979 1.905 0.9743 0.9748 1.6902 1.874 0.9618 0.9963 0.977 0.9753 1.6472 1.8767 0.9912 0.9861 1.6662 1.7756 0.9614 0.9992 1.8149 0.9773 0.9932 1.7411 0.9963 0.9617 0.9784 1.8508 0.9609 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 7 7 7 13 13 43 5 5 5 8 8 27 7 7 8 1 6 2 2 2 11 11 15 2 2 3 1 15 15 16 10 14 18 18 19 17 17 21 21 22 10 20 16 16 16 22 22 24 27 27 28 26 9 9 9 30 30 31 19 19 19 33 33 34 31 31 31 36 36 37 32 18 18 18 28 28 39 42 42 43 1 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 7 9 10 10 10 10 10 10 12 12 12 13 14 14 14 15 16 17 17 17 18 19 20 20 20 21 22 23 23 23 23 23 23 26 26 26 28 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 36 38 38 38 38 38 38 41 41 41 43 13 43 45 43 45 45 8 27 42 27 42 42 8 9 9 6 29 11 15 21 15 21 21 3 13 13 12 16 30 30 14 23 19 25 25 38 32 22 37 37 20 23 22 24 25 24 25 25 28 34 34 38 30 31 39 31 39 39 33 34 36 34 36 36 36 37 45 37 45 45 35 28 39 40 39 40 40 43 44 44 41 93.4657 100.3671 99.5714 141.5008 107.0269 105.8105 106.3936 116.1475 115.649 106.5007 98.2337 111.687 100.4425 103.058 110.013 163.9111 158.6311 106.1416 112.0258 110.0765 123.4494 118.4384 85.477 116.7214 115.4808 105.3388 164.5835 105.5826 107.8361 102.4658 165.3917 163.7077 104.1735 113.8595 116.367 160.9314 163.1478 105.5494 105.0419 103.7299 165.0147 162.8509 85.115 123.2085 111.0746 122.5991 106.765 106.3025 106.3484 116.9412 105.0108 161.016 123.6836 97.1498 108.7327 104.2769 113.9478 106.067 122.6811 103.1621 88.8516 107.5156 128.3148 102.4091 109.6229 106.2249 94.1386 107.3723 122.7292 114.7966 162.9066 97.81 94.9023 124.3828 101.782 124.7288 107.5127 105.0315 106.7893 127.5225 155.2977 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 10 4 17 4 14 29 26 20 29 4 1 10 4 17 4 14 29 26 20 29 4 2 8 25 27 30 31 34 37 39 42 45 2 8 25 27 30 31 34 37 39 42 12 6 23 26 29 35 32 35 38 41 35 12 6 23 26 29 35 32 35 38 41 18 17 1 2 2 2 1 2 4 1 2 18 17 1 2 2 2 1 2 4 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 178.7943 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 176.9544 178.2644 175.209 176.5912 177.2099 176.1378 173.9615 174.7913 165.5462 172.7137 180.3662 171.0659 179.8593 179.86 167.3462 182.7663 169.6525 188.0415 167.9688 184.5028 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 13 43 45 7 43 45 7 7 7 13 13 13 43 43 43 7 13 45 5 5 27 27 42 42 5 5 8 8 42 42 5 5 8 8 27 27 11 11 15 15 21 21 8 9 7 8 6 6 6 2 11 21 2 11 15 2 3 16 30 15 30 15 15 15 16 16 16 14 14 14 19 25 18 25 18 18 18 19 19 19 17 17 17 17 17 17 22 37 21 37 21 21 21 22 22 22 20 20 20 27 34 27 27 27 28 28 28 26 26 26 9 9 9 30 30 30 39 39 39 9 9 9 30 30 30 31 31 31 19 33 34 31 37 45 42 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 4 4 4 4 4 4 10 10 10 10 10 10 6 6 6 6 9 9 9 10 10 10 10 10 10 12 12 14 14 14 14 14 14 14 14 14 14 16 16 16 17 17 17 17 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 20 20 20 20 22 22 22 26 26 26 26 26 26 26 26 28 28 28 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 32 32 32 35 35 35 41 7 7 7 13 13 13 35 35 35 35 35 35 35 35 35 43 43 43 6 6 6 6 6 6 26 26 26 26 26 26 41 41 41 41 41 41 12 12 12 12 12 12 7 7 9 9 29 29 29 15 15 15 21 21 21 13 13 15 15 16 16 29 29 29 29 29 29 23 23 23 18 18 19 19 23 23 23 23 23 23 38 38 38 32 32 32 21 21 22 22 35 35 35 35 35 35 23 23 23 28 28 32 32 32 32 32 32 38 38 38 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 38 38 38 36 36 36 36 36 36 43 6 6 6 12 12 12 31 36 37 31 36 37 31 36 37 41 41 41 7 9 7 9 7 9 28 34 28 34 28 34 43 44 43 44 43 44 3 13 3 13 3 13 1 1 29 29 30 31 39 14 14 14 20 20 20 1 1 10 10 23 23 9 31 39 9 31 39 22 24 25 38 38 32 32 16 22 24 16 22 24 28 39 40 33 34 36 10 10 23 23 31 36 45 31 36 45 16 24 25 38 38 19 33 36 19 33 36 18 39 40 36 37 45 36 37 45 36 37 45 18 28 40 18 28 40 18 28 40 35 35 35 32 32 32 1 -134.9218 81.1634 -27.0005 44.8623 156.316 -56.2519 -18.6195 95.6799 -126.4704 75.6464 -170.0541 -32.2044 -121.0718 -6.7724 131.0773 -36.8633 -146.0541 66.2858 -134.4257 118.8779 98.444 -8.2523 -15.1844 -121.8808 -84.1061 161.012 33.956 -80.9259 139.26 24.378 135.0223 -88.5071 24.5321 161.0026 -84.8008 51.6697 -90.5364 145.1561 47.1879 -77.1196 140.038 15.7305 -50.3342 63.2428 -43.7119 62.6972 123.2401 10.7645 -98.934 68.3235 -162.8705 -41.5202 -67.9292 169.7573 43.8865 55.9248 -74.4078 69.4075 -39.5665 -80.1953 32.592 -52.6573 52.3515 163.5458 -161.9409 -56.9322 54.2621 54.8793 -178.9408 -51.2207 -48.6051 79.1703 28.4439 -97.7714 -20.9772 -111.6421 115.7787 99.7096 9.0447 -123.5345 60.2081 -42.4199 -157.5486 -157.7706 -36.6232 65.8536 -73.1784 36.083 84.264 -25.9356 -60.3212 -176.1224 39.1159 48.862 -66.9392 148.2991 -57.5547 175.7314 53.004 -99.3837 25.1929 126.5361 -102.3723 36.5723 11.4663 142.5579 -78.4974 -42.1076 54.5954 175.8343 -107.3186 136.2855 19.3974 125.9956 9.5996 -107.2885 4.3865 -112.0094 131.1025 149.6953 51.8443 -81.5593 -64.3309 -162.182 64.4145 47.881 -49.97 176.6264 -51.5867 176.1541 51.6391 -2.7342 112.2492 -111.4108 6.6772 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0497694289 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:1.591,2.0942,1.078;-1.4746,3.3562,-.0935;.462,3.9519,-.9635;3.6261,-.6875,-.4001;4.4281,-.8226,-.9092;2.1946,1.1845,-1.4861;2.0234,1.6564,-.6472;3.0931,.006,-.8976;1.3301,.7791,-1.698;-2.4005,2.9993,-.103;-2.977,3.7646,-.0665;.0629,3.9782,-.0907;.6602,3.4408,.4709;-2.6398,.8692,-1.9648;-2.6496,1.6869,-1.4394;-3.1399,.2243,-1.4363;-1.9866,-3.0334,.0168;-1.4322,-3.0663,-.7812;-1.3441,-2.9525,.7414;-2.6389,.8613,1.759;-2.6542,1.6841,1.2419;-3.1354,.2179,1.2235;-3.6409,-1.0001,-.0869;-4.522,-1.377,-.061;-3.009,-1.7717,-.0468;2.0223,-2.9713,-.0915;2.6121,-2.2024,-.2021;1.4523,-2.9898,-.8798;-.2315,-.096,-1.4826;-1.1006,.296,-1.7699;-.2484,-.0627,-.4968;.2414,-2.554,1.7444;.4306,-3.0415,2.5476;.9768,-2.755,1.0922;-.1838,.0878,1.2346;-.0127,-.807,1.5892;-1.0935,.3631,1.534;-.0238,-2.648,-1.9863;-.1067,-1.6598,-1.8841;-.0679,-2.8399,-2.9244;3.898,.8611,1.923;3.9165,.2616,1.1536;2.431,1.8514,1.5167;3.7765,.2958,2.6872;.9654,1.3577,1.2617; 0.000000 3.516078 0.000000 2.982246 2.205025 0.000000 3.750285 6.516344 5.643916 0.000000 4.528349 7.277996 6.207176 0.959497 0.000000 2.786853 4.485353 3.306608 2.594821 3.057732 0.000000 1.831709 3.928360 2.794237 2.850184 3.463571 0.977575 0.000000 3.243470 5.721384 4.743177 1.006248 1.571266 1.594545 1.982602 0.000000 3.082823 4.133055 3.370477 3.017780 3.575618 0.978080 1.534418 2.084813 0.000000 4.259829 0.992375 3.137172 7.071149 7.866814 5.130439 4.655191 6.306436 4.625018 0.000000 4.996661 1.557150 3.558936 7.970798 8.751440 5.951237 5.457640 7.187758 5.488713 0.958832 0.000000 2.692649 1.658511 0.960118 5.878872 6.540058 3.780994 3.089371 5.060799 3.797827 2.650782 3.047437 0.000000 1.745915 2.209759 1.535598 5.157315 5.854708 3.357769 2.508478 4.425984 3.498169 3.145206 3.690916 0.980283 0.000000 5.353399 3.323382 4.486298 6.643239 7.343771 4.868226 4.909278 5.894886 3.979833 2.839211 3.478644 4.525776 4.841033 0.000000 4.948348 2.445178 3.878020 6.789882 7.528112 4.870410 4.739803 6.008132 4.090112 1.889591 2.511792 3.798268 4.204803 0.971999 0.000000 5.674515 3.792822 5.205071 6.905382 7.658257 5.420491 5.416065 6.260071 4.511919 3.166268 3.799605 5.114736 5.331446 0.972309 1.542591 0.000000 6.341740 6.411051 7.466700 6.097454 6.847864 6.126306 6.206045 5.989731 5.336257 6.048108 6.870337 7.305774 7.009055 4.425335 4.984099 3.748909 0.000000 6.263145 6.459354 7.271650 5.602681 6.276447 5.632048 5.853448 5.470891 4.822623 6.179745 7.039804 7.234415 6.948940 4.283369 4.950563 3.764779 0.972154 0.000000 5.847822 6.365049 7.337564 5.579918 6.370153 5.882054 5.874506 5.579165 5.198671 6.103547 6.959833 7.120829 6.705541 4.858771 5.290009 4.249652 0.971827 1.529329 0.000000 4.458215 3.318389 5.155526 6.805222 7.739351 5.830757 5.306525 6.375337 5.264061 2.845142 3.446164 4.520584 4.381442 3.723828 3.303248 3.296489 4.316256 4.830619 4.154225 0.000000 4.268033 2.443442 4.440385 6.911039 7.814672 5.585854 5.044708 6.358016 5.033499 1.898100 2.478854 3.797445 3.829524 3.308699 2.681324 3.088692 4.919557 5.305908 4.844107 0.971919 0.000000 5.087300 3.787080 5.627396 7.012400 7.927016 6.056823 5.672946 6.583165 5.365683 3.167991 3.777429 5.108436 5.035914 3.291688 3.079780 2.659809 3.653331 4.207758 3.673225 0.973316 1.543358 0.000000 6.188998 4.865197 6.490333 7.280396 8.112679 6.386129 6.281294 6.856768 5.520081 4.187367 4.810820 6.204910 6.207381 2.832507 3.167296 1.889719 2.623304 3.103113 3.126194 2.806426 3.153473 1.859009 0.000000 7.121475 5.629478 7.352020 8.184255 9.007295 7.328363 7.237926 7.784745 6.447893 4.863599 5.368764 7.049824 7.095726 3.494646 3.846176 2.523016 3.029573 3.594348 3.636697 3.445097 3.815382 2.473098 0.958739 0.000000 6.113089 5.352732 6.756310 6.732329 7.546823 6.155297 6.118574 6.412411 5.297184 4.809971 5.536457 6.519135 6.395358 3.284701 3.745680 2.435525 1.625214 2.168299 2.188038 3.214130 3.705321 2.363872 0.998099 1.563746 0.000000 5.216657 7.229513 7.150300 2.807708 3.327736 4.386991 4.660960 3.265091 4.138295 7.430343 8.388482 7.220463 6.579256 6.324047 6.733681 6.218444 4.010792 3.523929 3.467890 6.311930 6.732046 6.204993 5.996394 6.735779 5.172490 0.000000 4.598074 6.900075 6.563427 1.833584 2.387777 3.646077 3.928698 2.364691 3.573539 7.224560 8.176921 6.686593 6.009004 6.334351 6.659073 6.363829 4.678327 4.175922 4.135759 6.387968 6.702554 6.397222 6.368565 7.183139 5.639732 0.975442 0.000000 5.449700 7.032525 7.012516 3.202492 3.681473 4.282932 4.686913 3.415730 3.858593 7.163574 8.118005 7.148829 6.618438 5.728328 6.245792 5.632801 3.554057 2.887171 3.232491 6.207424 6.573422 5.979931 5.525159 6.242085 4.698970 0.972948 1.557075 0.000000 3.830886 3.923393 4.139639 4.050036 4.750638 2.743320 2.975497 3.377220 1.802995 4.023588 4.944478 4.315502 4.137685 2.638912 3.004651 2.926385 3.735854 3.279656 3.787267 4.149743 4.057262 3.981747 3.793292 4.697899 3.547349 3.909238 3.763327 3.401813 0.000000 4.311435 3.509256 4.056787 5.018462 5.705974 3.424624 3.587506 4.293223 2.479238 3.431634 4.295765 4.210894 4.243907 1.653974 2.107895 2.067712 3.881009 3.520333 4.113224 3.890885 3.662141 3.620343 3.311410 4.174373 3.299449 4.821285 4.741729 4.255098 0.995736 0.000000 3.242761 3.654480 4.103627 3.925696 4.755698 2.915851 2.852852 3.366090 2.154728 3.763356 4.720073 4.073149 3.746494 2.956742 3.116986 3.053900 3.479988 3.240980 3.329361 3.414275 3.444187 3.372423 3.543411 4.492379 3.277824 3.712172 3.584340 3.406854 0.986539 1.573421 0.000000 4.885825 6.422861 7.050458 4.420266 5.250516 5.312959 5.159720 4.654646 4.913716 6.421229 7.318672 6.787411 6.142861 5.811864 6.039857 5.410122 2.859804 3.072762 1.917956 4.467787 5.157397 4.399723 4.565093 5.228314 3.792813 2.591558 3.087577 2.922735 4.083999 4.719507 3.386668 0.000000 5.466369 7.178822 7.825390 4.943758 5.731710 6.102530 5.900286 5.314573 5.781886 7.178601 8.047908 7.508082 6.810656 6.714338 6.909515 6.267822 3.499707 3.814600 2.533726 5.027533 5.792434 5.009320 5.261604 5.839882 4.491556 3.082667 3.608878 3.576730 5.035531 5.667788 4.313047 0.958386 0.000000 4.887917 6.690399 7.033745 3.676960 4.432979 4.863135 4.856011 4.007587 4.516561 6.778382 7.712342 6.897072 6.234847 5.963168 6.268167 5.675991 3.164761 3.067532 2.355522 5.157087 5.736878 5.075936 5.078618 5.784962 4.260346 1.594062 2.157572 2.042051 3.893544 4.670705 3.357711 1.003252 1.580633 0.000000 2.683292 3.756663 4.492271 4.217666 5.166655 3.776468 3.297499 3.910365 3.371906 3.896160 4.797301 4.117329 3.540928 4.108373 3.973382 3.986380 3.804612 3.945896 3.291329 2.626967 2.941263 2.954500 3.857585 4.758616 3.616800 3.997948 3.889278 4.076621 2.723878 3.148135 1.739144 2.723931 3.448730 3.073832 0.000000 3.354051 4.722335 5.421128 4.148742 5.095345 4.277278 3.900643 4.060854 3.888928 4.801356 5.694563 5.071995 4.443711 4.726728 4.727055 4.471784 3.365400 3.569057 2.663593 3.115965 3.647411 3.306891 4.001260 4.835535 3.547527 3.413237 3.470692 3.606452 3.160585 3.699091 2.227278 1.772247 2.471470 2.240691 0.977531 0.000000 3.226586 3.428236 4.640793 5.207566 6.153264 4.539490 4.018109 4.854621 4.061075 3.367194 4.204766 4.128638 3.698352 3.858645 3.607686 3.609745 3.825700 4.151564 3.418218 1.639308 2.065504 2.070540 3.312819 4.162589 3.274973 4.844425 4.829842 4.852719 3.170800 3.304581 2.240478 3.214900 3.865391 3.768725 0.996444 1.593780 0.000000 5.872456 6.460472 6.696316 4.436290 4.930629 4.456350 4.950892 4.235957 3.696013 6.409963 7.316323 6.892508 6.601379 4.383398 5.097550 4.273515 2.830852 1.900329 3.045735 5.760364 6.008964 5.310213 4.405317 5.055357 3.666232 2.807359 3.213997 1.876166 2.609423 3.142191 2.992103 3.741342 4.573585 3.238845 4.229000 4.021655 4.754323 0.000000 5.074309 5.498872 5.715100 4.132920 4.713332 3.680265 4.130872 3.739846 2.836728 5.490100 6.400512 5.918767 5.670065 3.580323 4.226633 3.598736 3.005662 2.225238 3.177298 5.102965 5.238629 4.728184 4.019383 4.785254 3.436768 3.076680 3.242723 2.282073 1.619271 2.196832 2.120209 3.753217 4.673027 3.351362 3.575777 3.577653 4.092569 0.996888 0.000000 6.566316 6.955870 7.089055 4.964916 5.323979 4.835654 5.456701 4.711567 4.068838 6.891832 7.762060 7.384648 7.176667 4.614344 5.418647 4.587011 3.516943 2.550657 3.883162 6.499456 6.671822 5.996996 4.919543 5.493416 4.251019 3.522995 3.872947 2.552238 3.103872 3.497589 3.693020 4.687740 5.498301 4.151111 5.087422 4.950551 5.584621 0.958482 1.573642 0.000000 2.748963 6.257499 5.448976 2.805109 3.337170 3.824601 3.279057 3.055227 4.439796 6.953261 7.723599 5.336585 4.387091 7.606384 7.406662 7.824487 7.309495 7.151739 6.589278 6.538971 6.638665 7.097313 8.021061 8.935422 7.649672 4.718432 3.943877 5.354052 5.437537 6.240336 4.888837 5.006528 5.257630 4.722197 4.211038 4.264624 5.031284 6.555589 6.073344 7.274760 0.000000 2.961842 6.340054 5.480421 1.843681 2.385834 3.284024 2.961809 2.225030 3.884451 6.998545 7.828212 5.496557 4.601857 7.285534 7.202067 7.516854 6.855385 6.589932 6.178537 6.610631 6.723513 7.052451 7.761756 8.681577 7.316967 3.948453 3.100102 4.558361 4.927880 5.806837 4.491706 4.667262 5.000500 4.212532 4.104837 4.095154 5.025455 5.818119 5.394950 6.490382 0.975513 0.000000 0.978295 4.484520 3.800134 3.398335 4.125977 3.085045 2.210614 3.110125 3.563171 5.223498 5.950928 3.565811 2.599161 6.228866 5.880364 6.511794 6.754732 6.662467 6.158719 5.171371 5.095326 5.808575 6.897103 7.826652 6.720474 5.100222 4.406872 5.489836 4.458449 5.068831 3.859678 4.924820 5.385575 4.849067 3.166569 3.611601 3.825861 6.208182 5.507616 6.926496 1.815986 2.205956 0.000000 3.255798 6.683744 6.138502 3.243620 3.822234 4.550663 4.005345 3.660845 5.044629 7.297271 8.076245 5.921788 4.951185 7.946008 7.762699 8.052713 7.171377 7.103831 6.368553 6.506883 6.735734 7.065672 8.024496 8.900410 7.602144 4.633892 3.993148 5.377806 5.797029 6.606943 5.144532 4.637636 4.727818 4.437322 4.223461 4.096331 5.005119 6.704477 6.308755 7.490158 0.958299 1.540363 2.366481 0.000000 0.983626 3.432810 3.454727 3.744805 4.632099 3.015122 2.202814 3.319104 3.037630 3.985831 4.806255 3.083904 2.248956 4.862740 4.524679 5.041591 5.435600 5.430771 4.917523 3.672181 3.634313 4.256462 5.347459 6.272154 5.225012 4.657076 4.186704 4.870653 3.328236 3.819118 2.565725 4.007309 4.614340 4.116134 1.712907 2.397819 2.302679 5.251006 4.488898 6.017500 3.046952 3.149970 1.567413 3.325969 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:-1.3867,2.3843,-.7332;1.9322,3.1198,.1651;.201,3.892,1.2916;-3.6323,-.2171,.7681;-4.3882,-.287,1.355;-1.8441,1.3464,1.8124;-1.6955,1.8615,.9949;-2.9573,.3535,1.2489;-1.0288,.8124,1.8944;2.7938,2.6429,.043;3.4664,3.3246,-.0051;.507,3.9396,.3828;-.2158,3.5372,-.1431;2.9195,.3478,1.7097;2.991,1.1989,1.2458;3.2652,-.3103,1.0829;1.5154,-3.2475,-.455;1.0479,-3.2745,.3969;.8192,-3.0195,-1.0936;2.5309,.6603,-1.9806;2.7167,1.4262,-1.4118;2.9837,-.0874,-1.5525;3.4439,-1.4701,-.3983;4.255,-1.9577,-.5517;2.708,-2.1439,-.4201;-2.4106,-2.6597,.1167;-2.8704,-1.8312,.3484;-1.7703,-2.8219,.831;.3615,-.2418,1.4399;1.3026,.0044,1.6526;.2805,-.1264,.4635;-.7889,-2.3279,-1.8773;-1.1279,-2.7148,-2.6859;-1.4736,-2.4841,-1.1609;.0586,.1797,-1.234;-.274,-.6503,-1.629;.9621,.3556,-1.6156;-.1538,-2.7768,1.7823;.0578,-1.8035,1.7414;-.0403,-3.0529,2.6931;-3.9208,1.5479,-1.393;-3.9445,.8923,-.6709;-2.2937,2.2946,-1.0887;-3.9611,1.0393,-2.2042;-.8948,1.5894,-1.0391; 0.3104665 0.2735358 0.1945371 -19.14286 -19.14164 -19.14085 -19.13980 -19.13776 -19.13609 -19.13421 -19.12475 -19.12383 -19.12374 -19.12307 -19.12102 -19.11922 -19.11790 -19.11645 -1.04397 -1.03905 -1.03832 -1.03307 -1.03123 -1.02677 -1.02513 -1.02292 -1.01638 -1.01360 -1.00940 -1.00571 -1.00281 -1.00021 -0.99199 -0.56389 -0.55986 -0.55901 -0.55662 -0.55317 -0.55272 -0.54582 -0.54387 -0.54224 -0.53807 -0.53515 -0.53423 -0.53225 -0.52989 -0.52821 -0.45847 -0.45233 -0.44994 -0.43903 -0.43547 -0.42447 -0.41481 -0.40816 -0.40211 -0.39774 -0.39643 -0.38818 -0.38176 -0.37963 -0.36227 -0.34261 -0.34126 -0.34046 -0.33838 -0.33693 -0.33469 -0.33322 -0.32838 -0.32621 -0.32460 -0.32417 -0.32329 -0.31773 -0.31542 -0.31248 -0.01472 0.00813 0.01316 0.02352 0.03219 0.04181 0.04409 0.06838 0.07359 0.08568 0.08996 0.09292 0.09461 0.09690 0.11038 0.11300 0.11496 0.11954 0.13120 0.13464 0.13679 0.14272 0.14525 0.14909 0.15448 0.15886 0.16048 0.16927 0.17578 0.17969 0.18427 0.18636 0.19217 0.19329 0.19664 0.19896 0.20387 0.20789 0.21354 0.21572 0.21721 0.22493 0.22620 0.23101 0.23833 0.24019 0.24449 0.24635 0.24813 0.25041 0.25302 0.25585 0.26120 0.26570 0.26782 0.26946 0.27426 0.27669 0.28003 0.28077 0.28905 0.29042 0.29492 0.29757 0.29977 0.30288 0.30571 0.30683 0.31105 0.31704 0.32241 0.33420 0.34276 0.35215 0.36337 0.36942 0.38758 0.41014 0.41618 0.42903 0.43530 0.44571 0.44981 0.45131 0.46665 0.47959 0.48417 0.48971 0.49826 0.50541 0.51871 0.52488 0.52982 0.54047 0.54694 0.55086 0.55515 0.55645 0.56351 0.57298 0.58469 0.58853 0.59601 0.60210 0.60567 0.61454 0.61728 0.62537 0.63501 0.64187 0.64533 0.64845 0.65556 0.66724 0.67441 0.68091 0.68775 0.70505 0.71979 0.75483 0.91389 0.92832 0.93346 0.94669 0.94757 0.95945 0.96675 0.97144 0.98120 0.99622 1.00043 1.00144 1.00502 1.01504 1.01939 1.02951 1.03170 1.03527 1.04442 1.04933 1.05755 1.05830 1.06191 1.06444 1.07214 1.07695 1.08170 1.08372 1.08698 1.09299 1.09708 1.09918 1.10665 1.11090 1.12364 1.12577 1.12989 1.13985 1.15207 1.15542 1.15840 1.17029 1.19000 1.20576 1.21767 1.23425 1.24798 1.25572 1.26798 1.27280 1.28109 1.28469 1.29222 1.29763 1.30423 1.31290 1.32281 1.32351 1.33146 1.33560 1.34227 1.35153 1.35784 1.36928 1.37312 1.38030 1.39397 1.40204 1.41707 1.42003 1.43180 1.44064 1.44896 1.45916 1.46861 1.47031 1.47576 1.48759 1.49537 1.50465 1.51077 1.51356 1.52082 1.53203 1.54902 1.55415 1.56051 1.57386 1.58132 1.58756 1.59725 1.60202 1.61236 1.61958 1.62886 1.64353 1.64819 1.66570 1.67052 1.68922 1.70063 1.70413 1.71326 1.72918 1.73095 1.73900 1.74905 1.75138 1.75527 1.76528 1.77626 1.78115 1.78524 1.79909 1.80658 1.81656 1.82722 1.85673 1.85834 1.91312 2.00577 2.02215 2.02623 2.03079 2.04319 2.05022 2.05448 2.18208 2.19300 2.23211 2.24371 2.25095 2.25773 2.26052 2.27631 2.28984 2.29841 2.32006 2.32717 2.35606 2.36204 2.37537 2.38359 2.40085 2.40341 2.42909 2.45179 2.45539 2.48624 2.51192 2.52096 2.52509 2.52778 2.53595 2.54957 2.57115 2.57996 2.64137 2.66394 2.67880 2.68388 2.69267 2.70293 2.70460 2.72755 2.72858 2.74114 2.74974 2.75566 2.77015 2.80009 2.80769 2.81485 2.83530 2.85627 2.85720 2.87463 2.91073 2.94027 2.95316 3.04820 3.06622 3.07543 3.08008 3.08528 3.08904 3.09023 3.10442 3.10604 3.11061 3.11907 3.12367 3.12736 3.13336 3.13497 3.13942 3.14329 3.14888 3.15329 3.16237 3.16952 3.17505 3.17700 3.19376 3.19718 3.20275 3.20909 3.22415 3.22772 3.23616 3.29537 3.30227 3.30599 3.30756 3.31076 3.31557 3.32218 3.32634 3.33061 3.33523 3.35438 3.36952 3.37529 3.38493 3.38796 3.65191 3.66706 3.67867 3.68321 3.69765 3.70813 3.71731 3.72518 3.73426 3.75395 3.77573 3.77887 3.79199 3.80165 3.81216 3.89792 3.90178 3.90556 3.91000 3.91288 3.91604 3.92563 3.92870 3.93902 3.94245 3.95538 3.96320 3.97690 3.98963 3.99876 4.98859 4.99685 4.99979 5.00210 5.01044 5.01273 5.01875 5.03120 5.03837 5.05099 5.05866 5.06382 5.09836 5.12856 5.19686 5.37334 5.38160 5.38794 5.39955 5.42246 5.42949 5.43591 5.44921 5.45761 5.46343 5.49046 5.50047 5.52488 5.55203 5.56084 5.63672 5.66261 5.67631 5.67683 5.67958 5.68668 5.69249 5.69354 5.70387 5.71015 5.72850 5.73592 5.75462 5.76397 5.77100 49.87855 49.88263 49.89495 49.90532 49.90726 49.91180 49.92084 49.92957 49.93154 49.94306 49.95340 49.95952 49.96431 49.98187 50.00743 1-A. 0.1182 -1.7113 0.2287 1.7305 -89.6803 -107.0327 -97.2161 7.1972 1.1123 2.2657 8.2961 -9.0563 0.7603 7.1972 1.1123 2.2657 40.9305 11.6302 -8.3927 54.7983 -11.6045 -6.1244 -52.1564 -46.8712 24.7373 -2.9793 -2807.3228 -3024.8253 -1020.2403 88.0273 -161.4731 112.7416 34.2715 91.4801 -12.8507 -983.9640 -733.5198 -511.5391 32.1623 18.4471 26.2941 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:1.6007,2.0574,1.0277;-1.6066,3.4542,-.0377;.4235,4.2242,-.7994;3.7742,-.7602,-.4266;4.5724,-.9131,-.9423;2.263,1.095,-1.5166;2.0731,1.5925,-.6948;3.2352,-.0806,-.9331;1.3906,.7206,-1.755;-2.535,3.1091,-.0779;-3.1092,3.8788,-.0197;-.0007,4.012,.0378;.6307,3.4216,.5071;-2.6933,.924,-1.9112;-2.7345,1.7481,-1.3942;-3.2077,.2704,-1.4033;-1.9484,-2.9853,.0203;-1.3739,-3.0508,-.7642;-1.3258,-2.9336,.7684;-2.7236,.8815,1.6698;-2.7643,1.7211,1.177;-3.242,.2447,1.1444;-3.7512,-1.0262,-.1351;-4.6213,-1.4361,-.1406;-3.0916,-1.7709,-.0789;2.0268,-2.9464,-.043;2.6718,-2.225,-.1769;1.4685,-2.9673,-.8424;-.2331,-.1,-1.5325;-1.0967,.31,-1.7943;-.2449,-.0834,-.5467;.2148,-2.6019,1.8387;.3949,-3.0817,2.6522;.971,-2.7806,1.2105;-.2189,.0575,1.2231;-.0616,-.8216,1.6201;-1.1306,.3454,1.492;.0191,-2.6923,-2.0024;-.0865,-1.7024,-1.965;.002,-2.9504,-2.9287;3.9563,.862,1.8566;4.0038,.1977,1.1398;2.4284,1.844,1.5006;4.1829,.4071,2.6721;.9782,1.3217,1.231; 0.000000 3.656918 0.000000 3.069080 2.300855 0.000000 3.844135 6.845768 6.017489 0.000000 4.640624 7.620438 6.604959 0.962598 0.000000 2.799701 4.767207 3.699997 2.629390 3.113786 0.000000 1.845662 4.175864 3.107738 2.915595 3.547611 0.979210 0.000000 3.329719 6.061280 5.143431 1.004427 1.575192 1.633344 2.050960 0.000000 3.094305 4.405060 3.758133 3.104683 3.667891 0.978810 1.532979 2.172594 0.000000 4.408226 0.991280 3.242867 7.409325 8.212181 5.398775 4.890317 6.648331 4.891591 0.000000 5.157335 1.561570 3.634101 8.310627 9.100573 6.233019 5.704334 7.534088 5.764861 0.962077 0.000000 2.713858 1.701687 0.962164 6.102372 6.791913 4.006149 3.269775 5.306873 3.997891 2.692816 3.111895 0.000000 1.753090 2.302851 1.547175 5.314216 6.035530 3.488967 2.621255 4.595996 3.604173 3.234372 3.804353 0.983533 0.000000 5.325402 3.330536 4.673460 6.846054 7.556718 4.974886 4.964368 6.092032 4.091924 2.856653 3.532900 4.536989 4.809845 0.000000 4.975433 2.454123 4.056739 7.042029 7.789525 5.041437 4.860680 6.260494 4.266401 1.903831 2.563076 3.827440 4.211825 0.973725 0.000000 5.676647 3.816427 5.402093 7.124809 7.883132 5.533665 5.489741 6.469591 4.633676 3.204304 3.865850 5.134358 5.321015 0.974552 1.551682 0.000000 6.248128 6.448785 7.633703 6.156147 6.909532 6.061876 6.135134 6.017931 5.294729 6.123307 6.961658 7.263304 6.923645 4.423544 5.002342 3.769865 0.000000 6.176793 6.549604 7.493830 5.644767 6.321428 5.566064 5.783362 5.485845 4.779969 6.305858 7.182315 7.239653 6.893998 4.342332 5.027730 3.847348 0.974530 0.000000 5.791513 6.444594 7.533375 5.671102 6.465170 5.859231 5.846329 5.642471 5.205772 6.220337 7.085959 7.108538 6.654722 4.891961 5.345985 4.303913 0.974657 1.537796 0.000000 4.527047 3.283575 5.212826 7.022112 7.954539 5.921495 5.394900 6.573208 5.355496 2.837598 3.462206 4.458388 4.365191 3.581292 3.184124 3.170447 4.274768 4.817573 4.161892 0.000000 4.380477 2.412389 4.509235 7.174908 8.078202 5.737676 5.188528 6.610004 5.182740 1.885202 2.491387 3.766114 3.855702 3.190158 2.571476 2.993200 4.914599 5.335962 4.888991 0.974325 0.000000 5.172106 3.791103 5.748841 7.259715 8.170625 6.173169 5.783523 6.809916 5.485747 3.193475 3.818282 5.091424 5.049364 3.177823 2.993607 2.548035 3.656460 4.241803 3.730255 0.974827 1.552037 0.000000 6.285214 4.968233 6.740618 7.535701 8.363438 6.525233 6.410452 7.095120 5.666899 4.310867 4.948254 6.283337 6.276699 2.842000 3.211851 1.893403 2.666835 3.185321 3.215107 2.820156 3.200551 1.873983 0.000000 7.230698 5.745829 7.610691 8.427474 9.243418 7.462799 7.368518 8.011862 6.587929 5.001585 5.527196 7.145921 7.183360 3.524534 3.907807 2.550467 3.093554 3.679907 3.732148 3.500062 3.892642 2.525681 0.961822 0.000000 6.156127 5.432159 6.986794 6.948462 7.760073 6.241149 6.194038 6.604172 5.395101 4.911608 5.650027 6.558131 6.415674 3.283014 3.773683 2.436048 1.670790 2.249105 2.277706 3.198197 3.725337 2.362544 0.996333 1.567094 0.000000 5.134749 7.359962 7.386471 2.824871 3.379865 4.308170 4.585704 3.235003 4.096686 7.581554 8.541813 7.248214 6.542452 6.383511 6.821565 6.292727 3.975877 3.477869 3.449426 6.336592 6.799131 6.273187 6.089393 6.818173 5.251783 0.000000 4.575642 7.111746 6.858137 1.850126 2.432943 3.603374 3.898685 2.342533 3.578920 7.454716 8.408396 6.788821 6.043022 6.458205 6.818751 6.503870 4.686522 4.170725 4.168571 6.493880 6.852410 6.543541 6.534077 7.335762 5.782145 0.976982 0.000000 5.363021 7.165134 7.267131 3.218731 3.723460 4.193810 4.602070 3.385615 3.799953 7.316749 8.276559 7.186367 6.583425 5.796981 6.340706 5.715278 3.524171 2.844700 3.225544 6.220754 6.631392 6.037617 5.613670 6.318438 4.775885 0.975276 1.562708 0.000000 3.817315 4.093090 4.434763 4.209134 4.909378 2.767401 2.980734 3.519733 1.832803 4.208702 5.137305 4.407794 4.160291 2.691602 3.113171 3.000430 3.698426 3.255660 3.810226 4.173819 4.131000 4.042044 3.897189 4.793683 3.616104 3.927795 3.846000 3.404835 0.000000 4.277067 3.637510 4.315275 5.171224 5.861820 3.461349 3.591871 4.433942 2.521285 3.584631 4.464942 4.273499 4.238220 1.714552 2.215976 2.147277 3.857061 3.526092 4.140183 3.869507 3.687913 3.638969 3.403643 4.266897 3.354443 4.840206 4.821232 4.269331 0.991240 0.000000 3.235401 3.824633 4.366440 4.077405 4.904218 2.935796 2.864228 3.501474 2.186650 3.956801 4.917432 4.144107 3.763281 2.978485 3.204798 3.104421 3.412345 3.182388 3.319861 3.462281 3.546058 3.456818 3.654113 4.598661 3.342177 3.689303 3.637351 3.367492 0.986094 1.561100 0.000000 4.928234 6.596602 7.321110 4.603512 5.438300 5.396341 5.240747 4.812739 5.033558 6.621969 7.516840 6.858121 6.183012 5.911904 6.170287 5.520383 2.851827 3.082245 1.904994 4.560372 5.291617 4.531537 4.701910 5.353930 3.911548 2.634906 3.200240 2.982205 4.222016 4.837172 3.499172 0.000000 5.522960 7.345737 8.080229 5.127115 5.922413 6.189792 5.988928 5.470627 5.905302 7.373179 8.238142 7.570497 6.852071 6.812246 7.035129 6.376724 3.525201 3.847172 2.555640 5.137832 5.934939 5.154185 5.402238 5.972419 4.618748 3.153610 3.731187 3.657553 5.176554 5.787914 4.430770 0.961441 0.000000 4.882151 6.861073 7.307912 3.823498 4.592594 4.911831 4.895756 4.124418 4.607432 6.974244 7.906267 6.961201 6.251233 6.074176 6.404979 5.796747 3.159349 3.077471 2.344009 5.222249 5.849659 5.187113 5.214193 5.908223 4.380306 1.647204 2.264075 2.120519 4.019858 4.780786 3.441018 0.999239 1.581495 0.000000 2.710840 3.879845 4.675947 4.397101 5.346752 3.839586 3.359801 4.074182 3.449601 4.045904 4.949875 4.134113 3.542890 4.086245 4.004584 3.984579 3.700858 3.865886 3.221602 2.674301 3.041171 3.029890 3.936583 4.844791 3.645652 3.958477 3.940280 4.032753 2.760228 3.152695 1.775601 2.763962 3.503352 3.077432 0.000000 3.376753 4.839171 5.616814 4.348044 5.296068 4.349233 3.967829 4.235138 3.984801 4.944788 5.836999 5.086335 4.441050 4.737352 4.778410 4.497946 3.286467 3.517998 2.604666 3.160546 3.737098 3.387924 4.090950 4.926318 3.601209 3.412055 3.559510 3.606826 3.238691 3.743008 2.296361 1.814903 2.526238 2.252058 0.977262 0.000000 3.256708 3.497314 4.765509 5.381413 6.327223 4.596727 4.074450 5.012220 4.128001 3.474896 4.322643 4.103064 3.679013 3.789265 3.587492 3.564172 3.732074 4.084633 3.363609 1.690156 2.158862 2.142199 3.375936 4.245560 3.285162 4.812626 4.883674 4.814446 3.186217 3.286715 2.263750 3.258398 3.926627 3.777280 0.993156 1.587761 0.000000 5.851757 6.654521 7.032005 4.507468 5.002274 4.428906 4.928366 4.278812 3.686544 6.624470 7.543031 7.007938 6.637195 4.521418 5.260197 4.421418 2.836914 1.897936 3.089413 5.812010 6.110165 5.400270 4.525220 5.155325 3.771657 2.816882 3.253983 1.876728 2.646610 3.209730 2.999246 3.847160 4.685935 3.352111 4.245292 4.077849 4.770842 0.000000 5.093029 5.711016 6.061610 4.261347 4.834692 3.680555 4.139273 3.837792 2.845495 5.719001 6.638612 6.055837 5.734224 3.700875 4.386792 3.734932 3.008988 2.217622 3.244008 5.180989 5.363147 4.839086 4.151633 4.895315 3.548676 3.115697 3.328501 2.297426 1.666192 2.258215 2.158246 3.920231 4.842796 3.516316 3.644069 3.691820 4.151510 0.996252 0.000000 6.579224 7.208592 7.495724 5.028548 5.383738 4.844684 5.469656 4.761447 4.096557 7.161050 8.048592 7.568015 7.266504 4.828160 5.649711 4.796116 3.535771 2.566774 3.928330 6.577072 6.806736 6.109153 5.058951 5.607264 4.368418 3.525131 3.902115 2.550136 3.182620 3.622730 3.735568 4.784788 5.596155 4.254409 5.131626 5.022639 5.629180 0.961651 1.579201 0.000000 2.768556 6.422928 5.553357 2.806728 3.371137 3.781614 3.254256 3.031661 4.432517 7.136446 7.908447 5.374811 4.408298 7.643136 7.491307 7.893102 7.282812 7.112674 6.594844 6.682525 6.809293 7.259727 8.181608 9.101985 7.768643 4.672875 3.913350 5.304495 5.473846 6.258397 4.931524 5.098844 5.373047 4.753713 4.298948 4.362809 5.126030 6.559561 6.125813 7.284902 0.000000 3.040672 6.593004 5.726420 1.850390 2.427455 3.300369 3.006506 2.228264 3.934800 7.260483 8.092580 5.639080 4.708731 7.395073 7.364050 7.647162 6.842019 6.564889 6.192565 6.782748 6.937499 7.245904 7.953846 8.871373 7.463610 3.897836 3.062202 4.513787 5.018092 5.885342 4.579815 4.762649 5.105473 4.251195 4.225828 4.218644 5.148537 5.839895 5.475488 6.517459 0.978436 0.000000 0.976841 4.608717 3.869768 3.508113 4.262168 3.113213 2.238207 3.205898 3.596986 5.359776 6.092360 3.569395 2.589978 6.222389 5.919801 6.532598 6.683491 6.598917 6.120085 5.243794 5.204189 5.902306 7.007224 7.946748 6.784714 5.048941 4.407877 5.436864 4.479116 5.063214 3.879768 4.977984 5.451937 4.857404 3.205707 3.649576 3.861573 6.217266 5.559864 6.963593 1.850843 2.307008 0.000000 3.477800 7.081388 6.383947 3.336377 3.867644 4.658845 4.146421 3.759427 5.243561 7.745520 8.513131 6.118605 5.137438 8.279816 8.135279 8.440914 7.492175 7.392083 6.717890 6.994904 7.226686 7.582124 8.537259 9.424567 8.076499 4.823538 4.162631 5.577292 6.118568 6.916122 5.496029 5.049200 5.149850 4.755360 4.647286 4.542241 5.443256 6.985357 6.646840 7.753756 0.960883 1.556846 2.552513 0.000000 0.984856 3.583039 3.585270 3.859940 4.757706 3.041591 2.231792 3.426886 3.073707 4.153353 4.980952 3.101517 2.248199 4.848834 4.566971 5.056389 5.346134 5.350933 4.861134 3.753599 3.764136 4.356302 5.454065 6.390762 5.276706 4.575984 4.174853 4.789068 3.335513 3.805450 2.574970 4.043193 4.663758 4.102367 1.741118 2.413806 2.338439 5.242881 4.526978 6.042071 3.077647 3.228909 1.564734 3.630886 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:-1.2127,2.4497,-.6939;2.2995,3.0418,.1351;.5561,4.1395,1.1595;-3.8104,.0183,.7611;-4.5758,-.0144,1.344;-1.847,1.4062,1.8254;-1.6253,1.9299,1.0283;-3.0962,.5194,1.2588;-1.0589,.8378,1.9429;3.1315,2.5093,.0523;3.8512,3.1451,-.0068;.8514,3.9253,.2692;.0698,3.5266,-.1752;2.9707,.1733,1.6887;3.1444,1.0167,1.2341;3.2867,-.521,1.0823;1.2376,-3.2925,-.4448;.7317,-3.3124,.3879;.5793,-3.0412,-1.1182;2.685,.4693,-1.8688;2.9478,1.2309,-1.3209;3.0967,-.3086,-1.4498;3.4272,-1.7744,-.3299;4.1856,-2.3545,-.4459;2.6201,-2.357,-.3734;-2.6152,-2.4358,.0339;-3.0756,-1.6125,.2882;-2.0084,-2.6487,.7671;.3244,-.2767,1.4915;1.2753,-.0819,1.6924;.2552,-.1684,.5138;-.9392,-2.2959,-1.9944;-1.2874,-2.6476,-2.8187;-1.6596,-2.3732,-1.3063;.1091,.144,-1.228;-.2675,-.6411,-1.6717;1.035,.2609,-1.5676;-.44,-2.7931,1.7877;-.127,-1.8477,1.8145;-.4,-3.1368,2.685;-3.8327,1.8544,-1.3616;-3.961,1.1488,-.696;-2.1042,2.4591,-1.0931;-4.2209,1.5368,-2.1812;-.7833,1.6239,-1.0158; 0.3086945 0.2621509 0.1877997 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 523 523 523 523 523 MxSgAt= 45 MxSgA2= 45. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 510 RedAO= T EigKep= 1.02D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 523 523 523 523 523 MxSgAt= 45 MxSgA2= 45. 1 4.64904924e-02 -6.73263769e-01 8.99676081e-02 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 0.000826803 0.002037529 -0.001434965 0.000653682 0.001521525 0.000195009 0.001639771 0.001020959 -0.002739698 -0.000910692 -0.000890121 0.002775355 0.002991606 -0.000835147 -0.001790521 0.001161965 0.000353151 -0.001253683 -0.000830135 0.001639440 0.001477190 0.000774333 0.000243223 -0.001138326 -0.002115409 -0.000203170 -0.001055212 -0.000963754 -0.004079065 -0.000013262 -0.002167934 0.002917090 0.000144000 -0.002073620 0.000621496 0.000431618 0.002345791 -0.000985346 0.001571227 0.000464121 0.000161836 -0.002171010 -0.000756534 0.002632683 0.001491092 -0.001995944 -0.001731182 0.001683332 -0.001694872 0.000149343 0.000200441 0.002193719 -0.000822107 -0.002418631 0.002437875 -0.000264159 0.002431241 0.000383662 0.000286227 0.002003614 -0.000800805 0.002522998 -0.001508803 -0.001884561 -0.001385902 -0.001546963 0.001004095 0.003572698 -0.000206826 -0.003204181 -0.001363154 -0.000017809 -0.000451200 -0.001428021 -0.000026296 0.000155620 -0.001058453 0.001195008 0.002249268 0.001654310 -0.000849772 -0.001239109 -0.000315960 -0.002787105 0.001210079 0.000744631 -0.000785229 0.000592760 -0.000355803 -0.000133177 -0.000181005 0.000738614 0.000985192 -0.002929655 0.001028046 -0.000881814 0.000599932 -0.001674468 0.002876019 0.001015923 -0.000869786 0.000711447 0.000835814 0.000524262 -0.000802241 -0.000190481 -0.001017847 0.001066355 0.000336374 -0.000736764 0.000881256 0.000124839 -0.002934945 0.003238881 -0.000155791 0.001739471 -0.001282400 0.000108686 -0.001013331 -0.003226680 -0.000549213 0.003385243 -0.000378285 0.000406230 -0.002792748 -0.002266743 0.000275300 0.000599688 0.001027552 0.000720571 -0.001954925 0.003407608 -0.000413923 -0.001382060 0.000922013 0.004079065 0.001585556 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1147.17258751132 -1147.17258769261 -0.000000181296 -1147.17258769295 -0.000000000333 -1147.17258769478 -0.000000001837 -1147.17258769491 -0.000000000122 -1147.17258769 5 1.143477867318e+03 -5.611437721897e+03 1.871988474390e+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) PT32552.900S Thu Jul 18 09:09:28 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 -0.885939 0.442884 0.254868 -0.752927 0.282529 -0.665447 0.338018 0.415583 0.365090 -0.778674 0.301180 -0.627456 0.387076 -0.662743 0.351882 0.341962 -0.621988 0.343452 0.335149 -0.631913 0.336682 0.346113 -0.768334 0.306897 0.410597 -0.662396 0.393651 0.339739 -0.888126 0.493183 0.404136 -0.769337 0.306398 0.392276 -0.865512 0.415522 0.450202 -0.777324 0.427181 0.302962 -0.622175 0.359991 0.469980 0.255527 0.409581 -0.00000 -19.14178 -19.14115 -19.14079 -19.13994 -19.13655 -19.13245 -19.13195 -19.12141 -19.12133 -19.12058 -19.11913 -19.11896 -19.11423 -19.11295 -19.11205 -1.03845 -1.03428 -1.03375 -1.02965 -1.02706 -1.02286 -1.01940 -1.01823 -1.01025 -1.00731 -1.00522 -1.00074 -0.99853 -0.99580 -0.98952 -0.56081 -0.55836 -0.55773 -0.55456 -0.55017 -0.54953 -0.54275 -0.53857 -0.53640 -0.53221 -0.53080 -0.52904 -0.52762 -0.52396 -0.52094 -0.45379 -0.44771 -0.44517 -0.43363 -0.43074 -0.42060 -0.41024 -0.40431 -0.39751 -0.39392 -0.39221 -0.38194 -0.37667 -0.37598 -0.35857 -0.34045 -0.33915 -0.33840 -0.33646 -0.33421 -0.33136 -0.32960 -0.32583 -0.32319 -0.32122 -0.31937 -0.31725 -0.31374 -0.31137 -0.30746 -0.01190 0.00966 0.01411 0.02543 0.03190 0.04186 0.04511 0.06727 0.07425 0.08618 0.09078 0.09263 0.09549 0.09711 0.11127 0.11311 0.11511 0.12368 0.13249 0.13476 0.13792 0.14374 0.14544 0.15037 0.15592 0.15944 0.16252 0.16601 0.17549 0.18083 0.18282 0.18526 0.19022 0.19366 0.19569 0.19971 0.20120 0.20932 0.21262 0.21641 0.22199 0.22552 0.22819 0.23447 0.23749 0.24177 0.24373 0.24454 0.24765 0.25129 0.25259 0.25931 0.26190 0.26474 0.26589 0.26937 0.27146 0.27344 0.27754 0.28253 0.28489 0.29030 0.29090 0.29424 0.29614 0.30115 0.30324 0.30668 0.30763 0.31318 0.32532 0.32996 0.33948 0.34596 0.35816 0.36328 0.37194 0.39467 0.40601 0.42801 0.43092 0.44374 0.44946 0.45110 0.46483 0.48237 0.48598 0.49312 0.49743 0.50640 0.52111 0.52937 0.53389 0.53721 0.54253 0.54708 0.55122 0.55327 0.56854 0.57425 0.58270 0.59041 0.59399 0.60036 0.60708 0.61235 0.62389 0.62945 0.63237 0.63582 0.64231 0.64783 0.66115 0.66402 0.66756 0.67193 0.68397 0.70316 0.71425 0.75586 0.92382 0.93170 0.94414 0.94962 0.95902 0.96593 0.97518 0.98089 0.98681 0.99469 1.00015 1.00367 1.00753 1.01207 1.02211 1.02596 1.03063 1.03762 1.04813 1.05176 1.05464 1.05755 1.06335 1.06896 1.06998 1.07457 1.07690 1.08159 1.08758 1.09007 1.09374 1.09928 1.10466 1.10787 1.11886 1.12231 1.12828 1.13544 1.14364 1.14642 1.15353 1.17535 1.18621 1.21357 1.22846 1.23502 1.24901 1.25351 1.27195 1.27554 1.28420 1.29043 1.29478 1.29900 1.30692 1.31076 1.31686 1.32818 1.33293 1.34213 1.34460 1.34815 1.35443 1.36022 1.37442 1.37679 1.39022 1.39797 1.40454 1.41412 1.42870 1.43696 1.44276 1.45604 1.45918 1.46261 1.47180 1.47795 1.48524 1.49576 1.50076 1.50754 1.51702 1.52165 1.53313 1.53864 1.55590 1.57018 1.57564 1.58661 1.59676 1.59888 1.60842 1.61612 1.63225 1.63412 1.65142 1.65465 1.66694 1.67887 1.69634 1.70746 1.71205 1.71992 1.72661 1.73797 1.74073 1.75832 1.76312 1.76586 1.77283 1.77755 1.78593 1.80335 1.80752 1.81828 1.83541 1.84882 1.86110 1.91421 2.00277 2.01699 2.02523 2.02796 2.03585 2.04653 2.04790 2.15689 2.18379 2.22668 2.23331 2.24360 2.26059 2.26545 2.27608 2.29969 2.31097 2.31717 2.32874 2.33336 2.34245 2.34784 2.35581 2.37810 2.38457 2.39554 2.41598 2.42759 2.44488 2.46993 2.48814 2.50782 2.51177 2.51503 2.52379 2.54225 2.55614 2.61069 2.64680 2.65458 2.66546 2.67628 2.68582 2.70350 2.71426 2.71926 2.72285 2.73268 2.73523 2.74497 2.78427 2.78976 2.80901 2.82451 2.83384 2.83610 2.85058 2.89029 2.92786 2.94446 3.05136 3.06956 3.07689 3.07958 3.08490 3.08737 3.09456 3.10901 3.11104 3.11369 3.12289 3.12420 3.12796 3.13370 3.13542 3.13928 3.14175 3.14610 3.15186 3.16264 3.16853 3.17435 3.17918 3.18918 3.19601 3.20067 3.20538 3.21868 3.22727 3.23161 3.29348 3.29876 3.30310 3.30571 3.30822 3.31103 3.31802 3.31943 3.32645 3.33369 3.34516 3.36359 3.36880 3.38048 3.38188 3.66230 3.68453 3.68930 3.69131 3.71134 3.71368 3.72268 3.72509 3.73624 3.74530 3.75687 3.76784 3.78157 3.79239 3.80093 3.89621 3.89829 3.90346 3.90475 3.90928 3.91315 3.92118 3.92860 3.93092 3.93990 3.94580 3.95487 3.96997 3.98293 3.98957 4.97171 4.99223 4.99730 5.00469 5.00641 5.01506 5.02455 5.02684 5.03077 5.04646 5.05589 5.06998 5.10081 5.12966 5.20023 5.36709 5.38187 5.38818 5.39721 5.41401 5.41816 5.43298 5.44318 5.44888 5.45751 5.48398 5.49723 5.52923 5.54073 5.54619 5.63753 5.65035 5.65710 5.66006 5.66399 5.66898 5.66957 5.67346 5.68395 5.69927 5.71797 5.73698 5.75015 5.75419 5.78001 49.87255 49.88086 49.88640 49.89843 49.90109 49.90914 49.91766 49.92620 49.93127 49.93954 49.95002 49.95447 49.96173 49.97423 49.99473 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 -0.830777 0.431939 0.258763 -0.732725 0.282752 -0.661546 0.337482 0.403505 0.356019 -0.755188 0.299728 -0.649209 0.394118 -0.673362 0.351338 0.340939 -0.633532 0.345175 0.342773 -0.640227 0.337385 0.339067 -0.747616 0.306158 0.398189 -0.668444 0.391536 0.338531 -0.847704 0.479385 0.391793 -0.752153 0.307712 0.380498 -0.840981 0.405896 0.440246 -0.759781 0.405835 0.305006 -0.653516 0.364845 0.439684 0.273297 0.397169 -0.00000 -2.82114085e-01 -4.87321319e-01 4.28004208e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.7171 -1.2386 0.1088 1.4354 -83.0114 -102.7795 -96.2169 4.8155 3.2365 1.4246 10.9912 -8.7769 -2.2143 4.8155 3.2365 1.4246 9.3429 14.6702 -13.4948 57.8744 2.1192 -16.7137 -61.8347 -43.1658 30.8564 8.0317 -2732.2951 -2944.3168 -1000.3307 15.9876 -77.7858 94.5971 59.1502 96.3221 -24.6156 -972.0586 -732.3853 -500.9851 5.1268 30.4241 28.7934 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.1725877 9.258E-9 4.669E-6 5.5467227,-4.0748616,-1.4718612,-6.2753976,2.4137621,-2.4058867 C01 [X(H30O15)] 0.1777314 -0.5320494 -0.0650946 -0.000008066 0.000004877 -0.000005107 0.000011349 0.000008155 0.000005367 0.000004369 0.000003262 0.000001542 0.000001396 0.000008504 -0.000002588 0.000002301 -0.000003763 0.000002047 -0.000005872 -0.000001899 0.000003523 0.000001745 0.000001160 0.000002937 -0.000000689 -0.000000180 -0.000001003 0.000001982 -0.000002131 -0.000004056 -0.000002184 -0.000014963 -0.000003187 -0.000002383 0.000003126 0.000000399 -0.000013551 -0.000004128 -0.000005184 0.000002678 0.000005657 -0.000000270 0.000004189 -0.000000850 -0.000006899 -0.000006337 0.000003559 0.000002872 -0.000002965 -0.000000168 0.000007447 0.000007824 -0.000003085 0.000000951 -0.000001015 0.000001039 -0.000010561 -0.000003709 0.000007898 0.000007860 0.000002456 -0.000004032 -0.000001230 -0.000003329 0.000004674 0.000004871 0.000000611 0.000001279 -0.000002616 -0.000001775 0.000008567 -0.000000141 -0.000001814 -0.000004476 -0.000000834 0.000007583 -0.000013434 0.000001842 -0.000001504 0.000000257 -0.000001124 0.000003387 0.000002675 0.000000257 -0.000004142 -0.000000688 -0.000000670 0.000002070 0.000000965 0.000004300 -0.000004114 0.000001039 0.000001498 -0.000001066 -0.000005932 -0.000009669 0.000001916 0.000010657 -0.000001170 -0.000001306 -0.000007142 -0.000000307 0.000004652 -0.000002634 -0.000002635 0.000002353 0.000007349 -0.000002104 -0.000002888 -0.000006297 0.000004375 -0.000002660 -0.000001352 0.000005339 -0.000001280 -0.000004820 0.000004422 -0.000000527 0.000005489 0.000001205 0.000003184 -0.000001359 -0.000002228 0.000004775 0.000003373 0.000000033 -0.000003763 -0.000004103 -0.000007902 0.000003428 -0.000004277 0.000004763 -0.000001648 0.000001854 0.000002716 0.000004335 -0.000003700 0.000000921 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:1.6007,2.0574,1.0277;-1.6066,3.4542,-.0377;.4235,4.2242,-.7994;3.7742,-.7602,-.4266;4.5724,-.9131,-.9423;2.263,1.095,-1.5166;2.0731,1.5925,-.6948;3.2352,-.0806,-.9331;1.3906,.7206,-1.755;-2.535,3.1091,-.0779;-3.1092,3.8788,-.0197;-.0007,4.012,.0378;.6307,3.4216,.5071;-2.6933,.924,-1.9112;-2.7345,1.7481,-1.3942;-3.2077,.2704,-1.4033;-1.9484,-2.9853,.0203;-1.3739,-3.0508,-.7642;-1.3258,-2.9336,.7684;-2.7236,.8815,1.6698;-2.7643,1.7211,1.177;-3.242,.2447,1.1444;-3.7512,-1.0262,-.1351;-4.6213,-1.4361,-.1406;-3.0916,-1.7709,-.0789;2.0268,-2.9464,-.043;2.6718,-2.225,-.1769;1.4685,-2.9673,-.8424;-.2331,-.1,-1.5325;-1.0967,.31,-1.7943;-.2449,-.0834,-.5467;.2148,-2.6019,1.8387;.3949,-3.0817,2.6522;.971,-2.7806,1.2105;-.2189,.0575,1.2231;-.0616,-.8216,1.6201;-1.1306,.3454,1.492;.0191,-2.6923,-2.0024;-.0865,-1.7024,-1.965;.002,-2.9504,-2.9287;3.9563,.862,1.8566;4.0038,.1977,1.1398;2.4284,1.844,1.5006;4.1829,.4071,2.6721;.9782,1.3217,1.231; Gaussian 16 GINC-CABRERA LAMSABHI Optimization 15-agua/ CONF17 gas 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:1.6007,2.0574,1.0277;-1.6066,3.4542,-.0377;.4235,4.2242,-.7994;3.7742,-.7602,-.4266;4.5724,-.9131,-.9423;2.263,1.095,-1.5166;2.0731,1.5925,-.6948;3.2352,-.0806,-.9331;1.3906,.7206,-1.755;-2.535,3.1091,-.0779;-3.1092,3.8788,-.0197;-.0007,4.012,.0378;.6307,3.4216,.5071;-2.6933,.924,-1.9112;-2.7345,1.7481,-1.3942;-3.2077,.2704,-1.4033;-1.9484,-2.9853,.0203;-1.3739,-3.0508,-.7642;-1.3258,-2.9336,.7684;-2.7236,.8815,1.6698;-2.7643,1.7211,1.177;-3.242,.2447,1.1444;-3.7512,-1.0262,-.1351;-4.6213,-1.4361,-.1406;-3.0916,-1.7709,-.0789;2.0268,-2.9464,-.043;2.6718,-2.225,-.1769;1.4685,-2.9673,-.8424;-.2331,-.1,-1.5325;-1.0967,.31,-1.7943;-.2449,-.0834,-.5467;.2148,-2.6019,1.8387;.3949,-3.0817,2.6522;.971,-2.7806,1.2105;-.2189,.0575,1.2231;-.0616,-.8216,1.6201;-1.1306,.3454,1.492;.0191,-2.6923,-2.0024;-.0865,-1.7024,-1.965;.002,-2.9504,-2.9287;3.9563,.862,1.8566;4.0038,.1977,1.1398;2.4284,1.844,1.5006;4.1829,.4071,2.6721;.9782,1.3217,1.231; Optimization 15-agua/ CONF17 gas 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/gas/CONF17/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 R53 1 1 1 1 2 2 3 4 4 4 4 6 6 6 9 10 10 10 12 14 14 14 16 17 17 17 18 19 20 20 20 22 23 23 26 26 26 28 29 29 29 31 32 32 32 35 35 35 38 38 41 41 41 7 13 43 45 10 12 12 5 8 27 42 7 8 9 29 11 15 21 13 15 16 30 23 18 19 25 38 32 21 22 37 23 24 25 27 28 34 38 30 31 39 35 33 34 36 36 37 45 39 40 42 43 44 1.8457 1.7531 0.9768 0.9849 0.9913 1.7017 0.9622 0.9626 1.0044 1.8501 1.8504 0.9792 1.6333 0.9788 1.8328 0.9621 1.9038 1.8852 0.9835 0.9737 0.9746 1.7146 1.8934 0.9745 0.9747 1.6708 1.8979 1.905 0.9743 0.9748 1.6902 1.874 0.9618 0.9963 0.977 0.9753 1.6472 1.8767 0.9912 0.9861 1.6662 1.7756 0.9614 0.9992 1.8149 0.9773 0.9932 1.7411 0.9963 0.9617 0.9784 1.8508 0.9609 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 7 7 7 13 13 43 5 5 5 8 8 27 7 7 8 1 6 2 2 2 11 11 15 2 2 3 1 15 15 16 10 14 18 18 19 17 17 21 21 22 10 20 16 16 16 22 22 24 27 27 28 26 9 9 9 30 30 31 19 19 19 33 33 34 31 31 31 36 36 37 32 18 18 18 28 28 39 42 42 43 1 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 7 9 10 10 10 10 10 10 12 12 12 13 14 14 14 15 16 17 17 17 18 19 20 20 20 21 22 23 23 23 23 23 23 26 26 26 28 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 36 38 38 38 38 38 38 41 41 41 43 13 43 45 43 45 45 8 27 42 27 42 42 8 9 9 6 29 11 15 21 15 21 21 3 13 13 12 16 30 30 14 23 19 25 25 38 32 22 37 37 20 23 22 24 25 24 25 25 28 34 34 38 30 31 39 31 39 39 33 34 36 34 36 36 36 37 45 37 45 45 35 28 39 40 39 40 40 43 44 44 41 93.4657 100.3671 99.5714 141.5008 107.0269 105.8105 106.3936 116.1475 115.649 106.5007 98.2337 111.687 100.4425 103.058 110.013 163.9111 158.6311 106.1416 112.0258 110.0765 123.4494 118.4384 85.477 116.7214 115.4808 105.3388 164.5835 105.5826 107.8361 102.4658 165.3917 163.7077 104.1735 113.8595 116.367 160.9314 163.1478 105.5494 105.0419 103.7299 165.0147 162.8509 85.115 123.2085 111.0746 122.5991 106.765 106.3025 106.3484 116.9412 105.0108 161.016 123.6836 97.1498 108.7327 104.2769 113.9478 106.067 122.6811 103.1621 88.8516 107.5156 128.3148 102.4091 109.6229 106.2249 94.1386 107.3723 122.7292 114.7966 162.9066 97.81 94.9023 124.3828 101.782 124.7288 107.5127 105.0315 106.7893 127.5225 155.2977 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 10 4 17 4 14 29 26 20 29 4 1 10 4 17 4 14 29 26 20 29 4 1 2 8 25 27 30 31 34 37 39 42 45 2 8 25 27 30 31 34 37 39 42 45 12 6 23 26 29 35 32 35 38 41 35 12 6 23 26 29 35 32 35 38 41 35 18 17 1 2 2 2 1 2 4 1 2 18 17 1 2 2 2 1 2 4 1 2 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 178.7943 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 176.9544 178.2644 175.209 176.5912 177.2099 176.1378 173.9615 174.7913 165.5462 172.7137 180.3662 171.0659 179.8593 179.86 167.3462 182.7663 169.6525 188.0415 167.9688 184.5028 169.7428 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 13 43 45 7 43 45 7 7 7 13 13 13 43 43 43 7 13 45 5 5 27 27 42 42 5 5 8 8 42 42 5 5 8 8 27 27 11 11 15 15 21 21 8 9 7 8 6 6 6 2 11 21 2 11 15 2 3 16 30 15 30 15 15 15 16 16 16 14 14 14 19 25 18 25 18 18 18 19 19 19 17 17 17 17 17 17 22 37 21 37 21 21 21 22 22 22 20 20 20 27 34 27 27 27 28 28 28 26 26 26 9 9 9 30 30 30 39 39 39 9 9 9 30 30 30 31 31 31 19 33 34 31 37 45 42 44 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 4 4 4 4 4 4 10 10 10 10 10 10 6 6 6 6 9 9 9 10 10 10 10 10 10 12 12 14 14 14 14 14 14 14 14 14 14 16 16 16 17 17 17 17 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 20 20 20 20 22 22 22 26 26 26 26 26 26 26 26 28 28 28 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 32 32 32 35 35 35 41 41 7 7 7 13 13 13 35 35 35 35 35 35 35 35 35 43 43 43 6 6 6 6 6 6 26 26 26 26 26 26 41 41 41 41 41 41 12 12 12 12 12 12 7 7 9 9 29 29 29 15 15 15 21 21 21 13 13 15 15 16 16 29 29 29 29 29 29 23 23 23 18 18 19 19 23 23 23 23 23 23 38 38 38 32 32 32 21 21 22 22 35 35 35 35 35 35 23 23 23 28 28 32 32 32 32 32 32 38 38 38 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 38 38 38 36 36 36 36 36 36 43 43 6 6 6 12 12 12 31 36 37 31 36 37 31 36 37 41 41 41 7 9 7 9 7 9 28 34 28 34 28 34 43 44 43 44 43 44 3 13 3 13 3 13 1 1 29 29 30 31 39 14 14 14 20 20 20 1 1 10 10 23 23 9 31 39 9 31 39 22 24 25 38 38 32 32 16 22 24 16 22 24 28 39 40 33 34 36 10 10 23 23 31 36 45 31 36 45 16 24 25 38 38 19 33 36 19 33 36 18 39 40 36 37 45 36 37 45 36 37 45 18 28 40 18 28 40 18 28 40 35 35 35 32 32 32 1 1 -134.9218 81.1634 -27.0005 44.8623 156.316 -56.2519 -18.6195 95.6799 -126.4704 75.6464 -170.0541 -32.2044 -121.0718 -6.7724 131.0773 -36.8633 -146.0541 66.2858 -134.4257 118.8779 98.444 -8.2523 -15.1844 -121.8808 -84.1061 161.012 33.956 -80.9259 139.26 24.378 135.0223 -88.5071 24.5321 161.0026 -84.8008 51.6697 -90.5364 145.1561 47.1879 -77.1196 140.038 15.7305 -50.3342 63.2428 -43.7119 62.6972 123.2401 10.7645 -98.934 68.3235 -162.8705 -41.5202 -67.9292 169.7573 43.8865 55.9248 -74.4078 69.4075 -39.5665 -80.1953 32.592 -52.6573 52.3515 163.5458 -161.9409 -56.9322 54.2621 54.8793 -178.9408 -51.2207 -48.6051 79.1703 28.4439 -97.7714 -20.9772 -111.6421 115.7787 99.7096 9.0447 -123.5345 60.2081 -42.4199 -157.5486 -157.7706 -36.6232 65.8536 -73.1784 36.083 84.264 -25.9356 -60.3212 -176.1224 39.1159 48.862 -66.9392 148.2991 -57.5547 175.7314 53.004 -99.3837 25.1929 126.5361 -102.3723 36.5723 11.4663 142.5579 -78.4974 -42.1076 54.5954 175.8343 -107.3186 136.2855 19.3974 125.9956 9.5996 -107.2885 4.3865 -112.0094 131.1025 149.6953 51.8443 -81.5593 -64.3309 -162.182 64.4145 47.881 -49.97 176.6264 -51.5867 176.1541 51.6391 -2.7342 112.2492 -111.4108 6.6772 -119.0079 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00016 0.00025 0.00027 0.00034 0.00038 0.00039 0.00045 0.00047 0.00053 0.00055 0.00070 0.00082 0.00114 0.00134 0.00186 0.00190 0.00219 0.00250 0.00281 0.00321 0.00323 0.00336 0.00356 0.00395 0.00423 0.00468 0.00490 0.00494 0.00525 0.00539 0.00590 0.00610 0.00691 0.00723 0.00737 0.00758 0.00769 0.00812 0.00823 0.00840 0.00878 0.00956 0.00989 0.01040 0.01048 0.01081 0.01099 0.01143 0.01177 0.01191 0.01244 0.01248 0.01293 0.01314 0.01318 0.01340 0.01370 0.01397 0.01433 0.01461 0.01507 0.01529 0.01568 0.01604 0.01612 0.01681 0.01739 0.01812 0.01830 0.01905 0.02014 0.02059 0.02183 0.02200 0.02323 0.02364 0.02393 0.02412 0.02469 0.02495 0.02545 0.02611 0.02728 0.02774 0.02905 0.03196 0.03322 0.03555 0.03838 0.04200 0.04391 0.04623 0.04970 0.05766 0.05816 0.06018 0.06049 0.06451 0.07889 0.30750 0.33406 0.33841 0.35324 0.36332 0.39184 0.40130 0.40426 0.40762 0.41107 0.41901 0.42571 0.43432 0.43940 0.44770 0.45823 0.46013 0.46551 0.46741 0.47159 0.47482 0.47696 0.48643 0.53758 0.53925 0.54000 0.54077 0.54125 0.54215 0.54396 Angle between quadratic step and forces= 75.76 degrees. 1 2 0.00062487 0.00000051 0.00000054 0.00000010 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 R53 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 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 3.48779 3.31286 1.84596 1.86111 1.87325 3.21572 1.81823 1.81905 1.89809 3.49623 3.49673 1.85044 3.08657 1.84968 3.46350 1.81806 3.59772 3.56252 1.85861 1.84007 1.84164 3.24003 3.57801 1.84159 1.84183 3.15734 3.58658 3.59992 1.84121 1.84216 3.19393 3.54131 1.81758 1.88280 1.84623 1.84300 3.11276 3.54650 1.87317 1.86345 3.14865 3.35540 1.81686 1.88829 3.42967 1.84676 1.87679 3.29024 1.88264 1.81726 1.84898 3.49759 1.81581 1.63128 1.75174 1.73785 2.46965 1.86797 1.84674 1.85692 2.02716 2.01846 1.85879 1.71450 1.94931 1.75305 1.79870 1.92009 2.86079 2.76863 1.85252 1.95522 1.92120 2.15460 2.06714 1.49185 2.03717 2.01552 1.83851 2.87252 1.84276 1.88210 1.78837 2.88663 2.85724 1.81817 1.98722 2.03099 2.80878 2.84747 1.84218 1.83333 1.81043 2.88005 2.84228 1.48554 2.15039 1.93862 2.13976 1.86340 1.85533 1.85613 2.04101 1.83278 2.81026 2.15869 1.69558 1.89774 1.81997 1.98876 1.85122 2.14119 1.80052 1.55075 1.87650 2.23952 1.78738 1.91328 1.85397 1.64303 1.87400 2.14203 2.00358 2.84326 1.70711 1.65636 2.17089 1.77643 2.17693 1.87645 1.83315 1.86383 2.22569 2.71046 3.12055 3.08844 3.11130 3.05797 3.08210 3.09290 3.07418 3.03620 3.05068 2.88933 3.01442 3.14798 2.98566 3.13914 3.13915 2.92074 3.18987 2.96100 3.28194 2.93161 3.22018 2.96257 -2.35483 1.41657 -0.47125 0.78299 2.72823 -0.98178 -0.32497 1.66993 -2.20732 1.32028 -2.96800 -0.56207 -2.11310 -0.11820 2.28773 -0.64339 -2.54913 1.15691 -2.34617 2.07481 1.71817 -0.14403 -0.26502 -2.12722 -1.46793 2.81019 0.59264 -1.41242 2.43055 0.42548 2.35658 -1.54474 0.42817 2.81003 -1.48005 0.90181 -1.58016 2.53345 0.82358 -1.34599 2.44412 0.27455 -0.87850 1.10379 -0.76292 1.09427 2.15095 0.18788 -1.72672 1.19247 -2.84263 -0.72466 -1.18559 2.96282 0.76596 0.97607 -1.29866 1.21139 -0.69057 -1.39967 0.56884 -0.91904 0.91371 2.85441 -2.82640 -0.99365 0.94705 0.95782 -3.12311 -0.89397 -0.84832 1.38178 0.49644 -1.70643 -0.36612 -1.94852 2.02072 1.74026 0.15786 -2.15608 1.05083 -0.74037 -2.74974 -2.75362 -0.63920 1.14936 -1.27720 0.62977 1.47068 -0.45266 -1.05280 -3.07392 0.68270 0.85280 -1.16831 2.58831 -1.00452 3.06709 0.92509 -1.73457 0.43970 2.20847 -1.78673 0.63831 0.20013 2.48810 -1.37004 -0.73492 0.95287 3.06889 -1.87306 2.37863 0.33855 2.19904 0.16755 -1.87254 0.07656 -1.95493 2.28817 2.61268 0.90485 -1.42348 -1.12279 -2.83061 1.12424 0.83568 -0.87214 3.08271 -0.90036 3.07447 0.90127 -0.04772 1.95912 -1.94449 0.11654 -2.07708 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00006 -0.00008 0.00004 0.00001 0.00003 -0.00019 -0.00001 -0.00000 0.00002 -0.00007 -0.00036 0.00000 -0.00019 -0.00001 0.00011 0.00001 -0.00012 0.00013 0.00002 0.00001 0.00001 -0.00008 -0.00011 0.00000 0.00002 -0.00023 -0.00012 -0.00033 0.00000 0.00000 -0.00003 0.00003 0.00001 0.00005 0.00001 0.00001 -0.00020 -0.00030 0.00002 -0.00004 -0.00011 0.00046 0.00001 0.00003 -0.00001 0.00000 0.00001 -0.00004 0.00002 0.00000 0.00003 -0.00011 0.00001 0.00096 -0.00011 -0.00015 -0.00048 0.00016 -0.00009 0.00011 -0.00006 -0.00001 -0.00017 0.00004 0.00008 0.00024 0.00003 0.00025 -0.00014 -0.00010 -0.00006 0.00058 0.00014 -0.00040 -0.00026 0.00009 0.00068 -0.00012 0.00005 0.00017 0.00000 0.00005 -0.00018 0.00007 0.00006 0.00009 0.00005 -0.00023 -0.00024 0.00052 0.00003 -0.00001 -0.00004 -0.00031 0.00009 -0.00026 -0.00008 0.00016 0.00010 0.00011 -0.00002 0.00005 -0.00010 -0.00001 0.00026 -0.00005 0.00003 -0.00034 -0.00002 0.00035 0.00002 -0.00088 -0.00016 -0.00020 0.00001 0.00090 0.00029 0.00002 0.00007 -0.00007 -0.00003 0.00001 0.00002 -0.00042 -0.00006 -0.00021 0.00042 0.00010 -0.00030 0.00003 -0.00016 -0.00002 -0.00089 0.00022 0.00014 -0.00012 -0.00003 -0.00007 -0.00006 -0.00027 -0.00004 0.00002 -0.00012 0.00025 0.00021 0.00025 -0.00012 0.00008 0.00007 0.00000 0.00010 -0.00001 0.00011 -0.00009 0.00012 0.00017 -0.00088 -0.00070 -0.00055 0.00096 0.00183 0.00079 -0.00005 -0.00002 -0.00013 0.00096 0.00099 0.00087 0.00010 0.00013 0.00001 -0.00003 -0.00124 -0.00025 0.00024 0.00007 0.00032 0.00015 0.00028 0.00011 -0.00039 -0.00035 -0.00039 -0.00034 -0.00041 -0.00036 0.00005 -0.00120 -0.00012 -0.00137 -0.00000 -0.00125 0.00216 0.00150 0.00213 0.00147 0.00254 0.00188 0.00035 0.00071 0.00001 0.00038 -0.00052 -0.00050 -0.00045 0.00070 0.00086 0.00048 -0.00097 -0.00081 -0.00031 -0.00238 -0.00324 -0.00075 -0.00057 -0.00108 -0.00109 0.00000 -0.00001 0.00012 0.00006 0.00005 0.00017 0.00141 0.00132 0.00138 0.00068 0.00049 -0.00159 -0.00157 -0.00057 -0.00037 -0.00053 -0.00059 -0.00039 -0.00055 -0.00038 -0.00044 -0.00050 0.00239 0.00168 0.00193 0.00047 0.00043 0.00104 0.00105 -0.00055 -0.00058 -0.00061 -0.00054 -0.00057 -0.00060 -0.00116 -0.00091 -0.00106 -0.00018 -0.00028 -0.00014 -0.00136 0.00005 -0.00014 -0.00137 0.00005 0.00026 0.00005 -0.00001 0.00026 0.00022 0.00023 0.00036 0.00032 0.00034 -0.00008 -0.00012 -0.00011 0.00005 0.00013 0.00045 0.00000 0.00009 0.00041 0.00013 0.00021 0.00053 0.00016 0.00103 -0.00004 0.00007 0.00014 0.00014 0.00013 0.00112 0.00006 -0.00008 0.00004 0.00001 0.00003 -0.00019 -0.00001 -0.00000 0.00002 -0.00007 -0.00036 0.00000 -0.00019 -0.00001 0.00011 0.00001 -0.00012 0.00013 0.00002 0.00001 0.00001 -0.00008 -0.00011 0.00000 0.00002 -0.00023 -0.00012 -0.00033 0.00000 0.00000 -0.00003 0.00003 0.00001 0.00005 0.00001 0.00001 -0.00020 -0.00030 0.00002 -0.00004 -0.00011 0.00046 0.00001 0.00003 -0.00001 0.00000 0.00001 -0.00004 0.00002 0.00000 0.00003 -0.00011 0.00001 0.00096 -0.00011 -0.00015 -0.00048 0.00016 -0.00009 0.00011 -0.00006 -0.00001 -0.00017 0.00004 0.00008 0.00024 0.00003 0.00025 -0.00014 -0.00010 -0.00006 0.00058 0.00014 -0.00040 -0.00026 0.00009 0.00068 -0.00012 0.00005 0.00017 0.00000 0.00005 -0.00018 0.00007 0.00006 0.00009 0.00005 -0.00023 -0.00024 0.00052 0.00003 -0.00001 -0.00004 -0.00031 0.00009 -0.00026 -0.00008 0.00016 0.00010 0.00011 -0.00002 0.00005 -0.00010 -0.00001 0.00026 -0.00005 0.00003 -0.00034 -0.00002 0.00035 0.00002 -0.00088 -0.00016 -0.00020 0.00001 0.00090 0.00029 0.00002 0.00007 -0.00007 -0.00003 0.00001 0.00002 -0.00042 -0.00006 -0.00021 0.00042 0.00010 -0.00030 0.00003 -0.00016 -0.00002 -0.00089 0.00022 0.00014 -0.00012 -0.00003 -0.00007 -0.00006 -0.00027 -0.00004 0.00002 -0.00012 0.00025 0.00021 0.00025 -0.00012 0.00008 0.00007 0.00000 0.00010 -0.00001 0.00011 -0.00009 0.00012 0.00017 -0.00088 -0.00070 -0.00055 0.00096 0.00183 0.00079 -0.00005 -0.00002 -0.00013 0.00096 0.00099 0.00087 0.00010 0.00013 0.00001 -0.00003 -0.00124 -0.00025 0.00024 0.00007 0.00032 0.00015 0.00028 0.00011 -0.00039 -0.00035 -0.00039 -0.00034 -0.00041 -0.00036 0.00005 -0.00120 -0.00012 -0.00137 -0.00000 -0.00125 0.00216 0.00150 0.00213 0.00147 0.00254 0.00188 0.00035 0.00071 0.00001 0.00038 -0.00052 -0.00050 -0.00045 0.00070 0.00086 0.00048 -0.00097 -0.00081 -0.00031 -0.00238 -0.00324 -0.00075 -0.00057 -0.00108 -0.00109 0.00000 -0.00001 0.00012 0.00006 0.00005 0.00017 0.00141 0.00132 0.00138 0.00068 0.00049 -0.00159 -0.00157 -0.00057 -0.00037 -0.00053 -0.00059 -0.00039 -0.00055 -0.00038 -0.00044 -0.00050 0.00239 0.00168 0.00193 0.00047 0.00043 0.00104 0.00105 -0.00055 -0.00058 -0.00061 -0.00054 -0.00057 -0.00060 -0.00116 -0.00091 -0.00106 -0.00018 -0.00028 -0.00014 -0.00136 0.00005 -0.00014 -0.00137 0.00005 0.00026 0.00005 -0.00001 0.00026 0.00022 0.00023 0.00036 0.00032 0.00034 -0.00008 -0.00012 -0.00011 0.00005 0.00013 0.00045 0.00000 0.00009 0.00041 0.00013 0.00021 0.00053 0.00016 0.00103 -0.00004 0.00008 0.00014 0.00014 0.00013 0.00112 3.48786 3.31278 1.84600 1.86112 1.87328 3.21553 1.81822 1.81905 1.89811 3.49616 3.49637 1.85044 3.08639 1.84967 3.46361 1.81807 3.59760 3.56265 1.85863 1.84009 1.84165 3.23995 3.57790 1.84160 1.84185 3.15710 3.58646 3.59959 1.84121 1.84216 3.19390 3.54135 1.81759 1.88285 1.84624 1.84302 3.11257 3.54620 1.87319 1.86341 3.14854 3.35586 1.81686 1.88832 3.42966 1.84676 1.87680 3.29019 1.88266 1.81726 1.84901 3.49747 1.81581 1.63224 1.75163 1.73770 2.46918 1.86813 1.84665 1.85703 2.02710 2.01845 1.85861 1.71455 1.94938 1.75329 1.79873 1.92034 2.86065 2.76853 1.85246 1.95580 1.92134 2.15420 2.06688 1.49194 2.03785 2.01540 1.83856 2.87270 1.84277 1.88215 1.78819 2.88670 2.85730 1.81826 1.98727 2.03076 2.80854 2.84799 1.84222 1.83332 1.81039 2.87974 2.84237 1.48528 2.15031 1.93878 2.13986 1.86351 1.85531 1.85618 2.04091 1.83278 2.81052 2.15864 1.69561 1.89740 1.81995 1.98911 1.85124 2.14031 1.80036 1.55055 1.87651 2.24041 1.78767 1.91330 1.85404 1.64296 1.87396 2.14204 2.00360 2.84284 1.70704 1.65615 2.17131 1.77653 2.17662 1.87648 1.83298 1.86381 2.22480 2.71067 3.12069 3.08832 3.11128 3.05791 3.08203 3.09263 3.07415 3.03622 3.05056 2.88958 3.01463 3.14823 2.98555 3.13921 3.13922 2.92074 3.18997 2.96099 3.28206 2.93151 3.22030 2.96274 -2.35571 1.41587 -0.47179 0.78396 2.73006 -0.98099 -0.32502 1.66991 -2.20746 1.32124 -2.96702 -0.56120 -2.11300 -0.11807 2.28775 -0.64342 -2.55036 1.15666 -2.34593 2.07488 1.71850 -0.14388 -0.26474 -2.12711 -1.46832 2.80984 0.59226 -1.41276 2.43014 0.42512 2.35663 -1.54594 0.42804 2.80865 -1.48005 0.90056 -1.57799 2.53495 0.82572 -1.34452 2.44667 0.27643 -0.87815 1.10450 -0.76291 1.09465 2.15042 0.18738 -1.72717 1.19317 -2.84177 -0.72419 -1.18656 2.96201 0.76565 0.97369 -1.30190 1.21064 -0.69114 -1.40075 0.56774 -0.91904 0.91370 2.85453 -2.82634 -0.99361 0.94722 0.95924 -3.12179 -0.89259 -0.84764 1.38227 0.49485 -1.70800 -0.36669 -1.94889 2.02019 1.73967 0.15747 -2.15663 1.05045 -0.74081 -2.75024 -2.75123 -0.63751 1.15129 -1.27674 0.63020 1.47173 -0.45161 -1.05335 -3.07449 0.68209 0.85226 -1.16888 2.58771 -1.00568 3.06618 0.92403 -1.73475 0.43942 2.20833 -1.78810 0.63836 0.19999 2.48674 -1.36999 -0.73465 0.95292 3.06887 -1.87280 2.37885 0.33878 2.19940 0.16787 -1.87220 0.07648 -1.95506 2.28806 2.61272 0.90499 -1.42303 -1.12278 -2.83052 1.12465 0.83581 -0.87193 3.08324 -0.90020 3.07550 0.90123 -0.04765 1.95926 -1.94434 0.11667 -2.07596 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.006389 0.000625 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -4.223910e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 525 A 510 A 510 780 525 75 75 1448.8469458968 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) -0.0481534016 0.000000 3.656918 0.000000 3.069080 2.300855 0.000000 3.844135 6.845768 6.017489 0.000000 4.640624 7.620438 6.604959 0.962598 0.000000 2.799701 4.767207 3.699997 2.629390 3.113786 0.000000 1.845662 4.175864 3.107738 2.915595 3.547611 0.979210 0.000000 3.329719 6.061280 5.143431 1.004427 1.575192 1.633344 2.050960 0.000000 3.094305 4.405060 3.758133 3.104683 3.667891 0.978810 1.532979 2.172594 0.000000 4.408226 0.991280 3.242867 7.409325 8.212181 5.398775 4.890317 6.648331 4.891591 0.000000 5.157335 1.561570 3.634101 8.310627 9.100573 6.233019 5.704334 7.534088 5.764861 0.962077 0.000000 2.713858 1.701687 0.962164 6.102372 6.791913 4.006149 3.269775 5.306873 3.997891 2.692816 3.111895 0.000000 1.753090 2.302851 1.547175 5.314216 6.035530 3.488967 2.621255 4.595996 3.604173 3.234372 3.804353 0.983533 0.000000 5.325402 3.330536 4.673460 6.846054 7.556718 4.974886 4.964368 6.092032 4.091924 2.856653 3.532900 4.536989 4.809845 0.000000 4.975433 2.454123 4.056739 7.042029 7.789525 5.041437 4.860680 6.260494 4.266401 1.903831 2.563076 3.827440 4.211825 0.973725 0.000000 5.676647 3.816427 5.402093 7.124809 7.883132 5.533665 5.489741 6.469591 4.633676 3.204304 3.865850 5.134358 5.321015 0.974552 1.551682 0.000000 6.248128 6.448785 7.633703 6.156147 6.909532 6.061876 6.135134 6.017931 5.294729 6.123307 6.961658 7.263304 6.923645 4.423544 5.002342 3.769865 0.000000 6.176793 6.549604 7.493830 5.644767 6.321428 5.566064 5.783362 5.485845 4.779969 6.305858 7.182315 7.239653 6.893998 4.342332 5.027730 3.847348 0.974530 0.000000 5.791513 6.444594 7.533375 5.671102 6.465170 5.859231 5.846329 5.642471 5.205772 6.220337 7.085959 7.108538 6.654722 4.891961 5.345985 4.303913 0.974657 1.537796 0.000000 4.527047 3.283575 5.212826 7.022112 7.954539 5.921495 5.394900 6.573208 5.355496 2.837598 3.462206 4.458388 4.365191 3.581292 3.184124 3.170447 4.274768 4.817573 4.161892 0.000000 4.380477 2.412389 4.509235 7.174908 8.078202 5.737676 5.188528 6.610004 5.182740 1.885202 2.491387 3.766114 3.855702 3.190158 2.571476 2.993200 4.914599 5.335962 4.888991 0.974325 0.000000 5.172106 3.791103 5.748841 7.259715 8.170625 6.173169 5.783523 6.809916 5.485747 3.193475 3.818282 5.091424 5.049364 3.177823 2.993607 2.548035 3.656460 4.241803 3.730255 0.974827 1.552037 0.000000 6.285214 4.968233 6.740618 7.535701 8.363438 6.525233 6.410452 7.095120 5.666899 4.310867 4.948254 6.283337 6.276699 2.842000 3.211851 1.893403 2.666835 3.185321 3.215107 2.820156 3.200551 1.873983 0.000000 7.230698 5.745829 7.610691 8.427474 9.243418 7.462799 7.368518 8.011862 6.587929 5.001585 5.527196 7.145921 7.183360 3.524534 3.907807 2.550467 3.093554 3.679907 3.732148 3.500062 3.892642 2.525681 0.961822 0.000000 6.156127 5.432159 6.986794 6.948462 7.760073 6.241149 6.194038 6.604172 5.395101 4.911608 5.650027 6.558131 6.415674 3.283014 3.773683 2.436048 1.670790 2.249105 2.277706 3.198197 3.725337 2.362544 0.996333 1.567094 0.000000 5.134749 7.359962 7.386471 2.824871 3.379865 4.308170 4.585704 3.235003 4.096686 7.581554 8.541813 7.248214 6.542452 6.383511 6.821565 6.292727 3.975877 3.477869 3.449426 6.336592 6.799131 6.273187 6.089393 6.818173 5.251783 0.000000 4.575642 7.111746 6.858137 1.850126 2.432943 3.603374 3.898685 2.342533 3.578920 7.454716 8.408396 6.788821 6.043022 6.458205 6.818751 6.503870 4.686522 4.170725 4.168571 6.493880 6.852410 6.543541 6.534077 7.335762 5.782145 0.976982 0.000000 5.363021 7.165134 7.267131 3.218731 3.723460 4.193810 4.602070 3.385615 3.799953 7.316749 8.276559 7.186367 6.583425 5.796981 6.340706 5.715278 3.524171 2.844700 3.225544 6.220754 6.631392 6.037617 5.613670 6.318438 4.775885 0.975276 1.562708 0.000000 3.817315 4.093090 4.434763 4.209134 4.909378 2.767401 2.980734 3.519733 1.832803 4.208702 5.137305 4.407794 4.160291 2.691602 3.113171 3.000430 3.698426 3.255660 3.810226 4.173819 4.131000 4.042044 3.897189 4.793683 3.616104 3.927795 3.846000 3.404835 0.000000 4.277067 3.637510 4.315275 5.171224 5.861820 3.461349 3.591871 4.433942 2.521285 3.584631 4.464942 4.273499 4.238220 1.714552 2.215976 2.147277 3.857061 3.526092 4.140183 3.869507 3.687913 3.638969 3.403643 4.266897 3.354443 4.840206 4.821232 4.269331 0.991240 0.000000 3.235401 3.824633 4.366440 4.077405 4.904218 2.935796 2.864228 3.501474 2.186650 3.956801 4.917432 4.144107 3.763281 2.978485 3.204798 3.104421 3.412345 3.182388 3.319861 3.462281 3.546058 3.456818 3.654113 4.598661 3.342177 3.689303 3.637351 3.367492 0.986094 1.561100 0.000000 4.928234 6.596602 7.321110 4.603512 5.438300 5.396341 5.240747 4.812739 5.033558 6.621969 7.516840 6.858121 6.183012 5.911904 6.170287 5.520383 2.851827 3.082245 1.904994 4.560372 5.291617 4.531537 4.701910 5.353930 3.911548 2.634906 3.200240 2.982205 4.222016 4.837172 3.499172 0.000000 5.522960 7.345737 8.080229 5.127115 5.922413 6.189792 5.988928 5.470627 5.905302 7.373179 8.238142 7.570497 6.852071 6.812246 7.035129 6.376724 3.525201 3.847172 2.555640 5.137832 5.934939 5.154185 5.402238 5.972419 4.618748 3.153610 3.731187 3.657553 5.176554 5.787914 4.430770 0.961441 0.000000 4.882151 6.861073 7.307912 3.823498 4.592594 4.911831 4.895756 4.124418 4.607432 6.974244 7.906267 6.961201 6.251233 6.074176 6.404979 5.796747 3.159349 3.077471 2.344009 5.222249 5.849659 5.187113 5.214193 5.908223 4.380306 1.647204 2.264075 2.120519 4.019858 4.780786 3.441018 0.999239 1.581495 0.000000 2.710840 3.879845 4.675947 4.397101 5.346752 3.839586 3.359801 4.074182 3.449601 4.045904 4.949875 4.134113 3.542890 4.086245 4.004584 3.984579 3.700858 3.865886 3.221602 2.674301 3.041171 3.029890 3.936583 4.844791 3.645652 3.958477 3.940280 4.032753 2.760228 3.152695 1.775601 2.763962 3.503352 3.077432 0.000000 3.376753 4.839171 5.616814 4.348044 5.296068 4.349233 3.967829 4.235138 3.984801 4.944788 5.836999 5.086335 4.441050 4.737352 4.778410 4.497946 3.286467 3.517998 2.604666 3.160546 3.737098 3.387924 4.090950 4.926318 3.601209 3.412055 3.559510 3.606826 3.238691 3.743008 2.296361 1.814903 2.526238 2.252058 0.977262 0.000000 3.256708 3.497314 4.765509 5.381413 6.327223 4.596727 4.074450 5.012220 4.128001 3.474896 4.322643 4.103064 3.679013 3.789265 3.587492 3.564172 3.732074 4.084633 3.363609 1.690156 2.158862 2.142199 3.375936 4.245560 3.285162 4.812626 4.883674 4.814446 3.186217 3.286715 2.263750 3.258398 3.926627 3.777280 0.993156 1.587761 0.000000 5.851757 6.654521 7.032005 4.507468 5.002274 4.428906 4.928366 4.278812 3.686544 6.624470 7.543031 7.007938 6.637195 4.521418 5.260197 4.421418 2.836914 1.897936 3.089413 5.812010 6.110165 5.400270 4.525220 5.155325 3.771657 2.816882 3.253983 1.876728 2.646610 3.209730 2.999246 3.847160 4.685935 3.352111 4.245292 4.077849 4.770842 0.000000 5.093029 5.711016 6.061610 4.261347 4.834692 3.680555 4.139273 3.837792 2.845495 5.719001 6.638612 6.055837 5.734224 3.700875 4.386792 3.734932 3.008988 2.217622 3.244008 5.180989 5.363147 4.839086 4.151633 4.895315 3.548676 3.115697 3.328501 2.297426 1.666192 2.258215 2.158246 3.920231 4.842796 3.516316 3.644069 3.691820 4.151510 0.996252 0.000000 6.579224 7.208592 7.495724 5.028548 5.383738 4.844684 5.469656 4.761447 4.096557 7.161050 8.048592 7.568015 7.266504 4.828160 5.649711 4.796116 3.535771 2.566774 3.928330 6.577072 6.806736 6.109153 5.058951 5.607264 4.368418 3.525131 3.902115 2.550136 3.182620 3.622730 3.735568 4.784788 5.596155 4.254409 5.131626 5.022639 5.629180 0.961651 1.579201 0.000000 2.768556 6.422928 5.553357 2.806728 3.371137 3.781614 3.254256 3.031661 4.432517 7.136446 7.908447 5.374811 4.408298 7.643136 7.491307 7.893102 7.282812 7.112674 6.594844 6.682525 6.809293 7.259727 8.181608 9.101985 7.768643 4.672875 3.913350 5.304495 5.473846 6.258397 4.931524 5.098844 5.373047 4.753713 4.298948 4.362809 5.126030 6.559561 6.125813 7.284902 0.000000 3.040672 6.593004 5.726420 1.850390 2.427455 3.300369 3.006506 2.228264 3.934800 7.260483 8.092580 5.639080 4.708731 7.395073 7.364050 7.647162 6.842019 6.564889 6.192565 6.782748 6.937499 7.245904 7.953846 8.871373 7.463610 3.897836 3.062202 4.513787 5.018092 5.885342 4.579815 4.762649 5.105473 4.251195 4.225828 4.218644 5.148537 5.839895 5.475488 6.517459 0.978436 0.000000 0.976841 4.608717 3.869768 3.508113 4.262168 3.113213 2.238207 3.205898 3.596986 5.359776 6.092360 3.569395 2.589978 6.222389 5.919801 6.532598 6.683491 6.598917 6.120085 5.243794 5.204189 5.902306 7.007224 7.946748 6.784714 5.048941 4.407877 5.436864 4.479116 5.063214 3.879768 4.977984 5.451937 4.857404 3.205707 3.649576 3.861573 6.217266 5.559864 6.963593 1.850843 2.307008 0.000000 3.477800 7.081388 6.383947 3.336377 3.867644 4.658845 4.146421 3.759427 5.243561 7.745520 8.513131 6.118605 5.137438 8.279816 8.135279 8.440914 7.492175 7.392083 6.717890 6.994904 7.226686 7.582124 8.537259 9.424567 8.076499 4.823538 4.162631 5.577292 6.118568 6.916122 5.496029 5.049200 5.149850 4.755360 4.647286 4.542241 5.443256 6.985357 6.646840 7.753756 0.960883 1.556846 2.552513 0.000000 0.984856 3.583039 3.585270 3.859940 4.757706 3.041591 2.231792 3.426886 3.073707 4.153353 4.980952 3.101517 2.248199 4.848834 4.566971 5.056389 5.346134 5.350933 4.861134 3.753599 3.764136 4.356302 5.454065 6.390762 5.276706 4.575984 4.174853 4.789068 3.335513 3.805450 2.574970 4.043193 4.663758 4.102367 1.741118 2.413806 2.338439 5.242881 4.526978 6.042071 3.077647 3.228909 1.564734 3.630886 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:-1.2127,2.4497,-.6939;2.2995,3.0418,.1351;.5561,4.1395,1.1595;-3.8104,.0183,.7611;-4.5758,-.0144,1.344;-1.847,1.4062,1.8254;-1.6253,1.9299,1.0283;-3.0962,.5194,1.2588;-1.0589,.8378,1.9429;3.1315,2.5093,.0523;3.8512,3.1451,-.0068;.8514,3.9253,.2692;.0698,3.5266,-.1752;2.9707,.1733,1.6887;3.1444,1.0167,1.2341;3.2867,-.521,1.0823;1.2376,-3.2925,-.4448;.7317,-3.3124,.3879;.5793,-3.0412,-1.1182;2.685,.4693,-1.8688;2.9478,1.2309,-1.3209;3.0967,-.3086,-1.4498;3.4272,-1.7744,-.3299;4.1856,-2.3545,-.4459;2.6201,-2.357,-.3734;-2.6152,-2.4358,.0339;-3.0756,-1.6125,.2882;-2.0084,-2.6487,.7671;.3244,-.2767,1.4915;1.2753,-.0819,1.6924;.2552,-.1684,.5138;-.9392,-2.2959,-1.9944;-1.2874,-2.6476,-2.8187;-1.6596,-2.3732,-1.3063;.1091,.144,-1.228;-.2675,-.6411,-1.6717;1.035,.2609,-1.5676;-.44,-2.7931,1.7877;-.127,-1.8477,1.8145;-.4,-3.1368,2.685;-3.8327,1.8544,-1.3616;-3.961,1.1488,-.696;-2.1042,2.4591,-1.0931;-4.2209,1.5368,-2.1812;-.7833,1.6239,-1.0158; 0.3086945 0.2621509 0.1877997 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 510 RedAO= T EigKep= 1.02D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 523 523 523 523 523 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.17258769487 -1147.17258769 1 1.143477867529e+03 -5.611437707790e+03 1.871988460071e+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 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. 13768 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 135 NMatS0= 135 NMatT0= 0 NMatD0= 135 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 71.89% of shell-pairs survive, threshold= 0.20 IRatSp=72. 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= 6.83D+01 1.11D+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= 3.00D+00 1.86D-01. 135 vectors produced by pass 2 Test12= 3.26D-14 1.00D-09 XBig12= 2.81D-02 1.75D-02. 135 vectors produced by pass 3 Test12= 3.26D-14 1.00D-09 XBig12= 9.16D-05 1.19D-03. 135 vectors produced by pass 4 Test12= 3.26D-14 1.00D-09 XBig12= 1.22D-07 2.39D-05. 81 vectors produced by pass 5 Test12= 3.26D-14 1.00D-09 XBig12= 8.14D-11 5.28D-07. 4 vectors produced by pass 6 Test12= 3.26D-14 1.00D-09 XBig12= 5.12D-14 1.45D-08. 3 vectors produced by pass 7 Test12= 3.26D-14 1.00D-09 XBig12= 4.63D-16 1.62D-09. 3 vectors produced by pass 8 Test12= 3.26D-14 1.00D-09 XBig12= 1.21D-15 3.13D-09. 3 vectors produced by pass 9 Test12= 3.26D-14 1.00D-09 XBig12= 1.90D-15 3.13D-09. 3 vectors produced by pass 10 Test12= 3.26D-14 1.00D-09 XBig12= 1.74D-15 3.93D-09. 2 vectors produced by pass 11 Test12= 3.26D-14 1.00D-09 XBig12= 5.54D-16 1.93D-09. InvSVY: IOpt=1 It= 1 EMax= 1.95D-14 Solved reduced A of dimension 774 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 134.68 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 144.459 1.411 135.408 0.609 0.052 124.186 163.075 1.450 156.018 0.966 0.476 155.671 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT16309.500S Thu Jul 18 09:27:09 2024 -19.14179 -19.14115 -19.14079 -19.13994 -19.13655 -19.13245 -19.13195 -19.12141 -19.12133 -19.12058 -19.11913 -19.11896 -19.11423 -19.11295 -19.11205 -1.03845 -1.03428 -1.03375 -1.02965 -1.02706 -1.02286 -1.01940 -1.01823 -1.01025 -1.00730 -1.00522 -1.00074 -0.99853 -0.99580 -0.98952 -0.56081 -0.55836 -0.55773 -0.55456 -0.55017 -0.54953 -0.54275 -0.53857 -0.53640 -0.53221 -0.53080 -0.52904 -0.52762 -0.52396 -0.52094 -0.45379 -0.44771 -0.44517 -0.43363 -0.43074 -0.42060 -0.41024 -0.40431 -0.39751 -0.39392 -0.39221 -0.38194 -0.37667 -0.37598 -0.35857 -0.34045 -0.33915 -0.33840 -0.33646 -0.33421 -0.33136 -0.32960 -0.32583 -0.32319 -0.32122 -0.31937 -0.31725 -0.31374 -0.31137 -0.30746 -0.01190 0.00966 0.01411 0.02543 0.03190 0.04186 0.04511 0.06727 0.07425 0.08618 0.09078 0.09263 0.09549 0.09711 0.11127 0.11311 0.11511 0.12368 0.13249 0.13476 0.13792 0.14374 0.14544 0.15037 0.15592 0.15944 0.16252 0.16601 0.17549 0.18083 0.18282 0.18526 0.19022 0.19366 0.19569 0.19971 0.20120 0.20932 0.21262 0.21641 0.22199 0.22552 0.22819 0.23447 0.23749 0.24177 0.24373 0.24454 0.24765 0.25129 0.25259 0.25931 0.26190 0.26474 0.26589 0.26937 0.27146 0.27344 0.27754 0.28253 0.28489 0.29030 0.29090 0.29424 0.29614 0.30115 0.30324 0.30668 0.30763 0.31318 0.32532 0.32996 0.33948 0.34596 0.35816 0.36328 0.37194 0.39467 0.40601 0.42801 0.43092 0.44374 0.44946 0.45110 0.46483 0.48237 0.48598 0.49312 0.49743 0.50640 0.52111 0.52937 0.53389 0.53721 0.54253 0.54708 0.55122 0.55327 0.56854 0.57425 0.58270 0.59041 0.59399 0.60036 0.60708 0.61235 0.62389 0.62945 0.63237 0.63582 0.64231 0.64783 0.66115 0.66402 0.66756 0.67193 0.68397 0.70316 0.71425 0.75586 0.92382 0.93170 0.94414 0.94962 0.95902 0.96593 0.97518 0.98089 0.98681 0.99469 1.00015 1.00367 1.00753 1.01207 1.02211 1.02596 1.03063 1.03762 1.04813 1.05176 1.05464 1.05755 1.06335 1.06896 1.06998 1.07457 1.07690 1.08159 1.08758 1.09007 1.09374 1.09928 1.10466 1.10787 1.11886 1.12231 1.12828 1.13544 1.14364 1.14642 1.15353 1.17535 1.18621 1.21357 1.22846 1.23502 1.24901 1.25351 1.27195 1.27554 1.28420 1.29043 1.29478 1.29900 1.30692 1.31076 1.31686 1.32818 1.33293 1.34213 1.34460 1.34815 1.35443 1.36022 1.37442 1.37679 1.39022 1.39797 1.40454 1.41412 1.42870 1.43696 1.44276 1.45604 1.45918 1.46261 1.47180 1.47795 1.48524 1.49576 1.50076 1.50754 1.51702 1.52165 1.53313 1.53864 1.55590 1.57018 1.57564 1.58661 1.59676 1.59888 1.60842 1.61612 1.63225 1.63412 1.65142 1.65465 1.66694 1.67887 1.69634 1.70746 1.71205 1.71992 1.72661 1.73797 1.74073 1.75832 1.76312 1.76586 1.77283 1.77755 1.78593 1.80335 1.80752 1.81828 1.83541 1.84882 1.86110 1.91421 2.00277 2.01699 2.02523 2.02796 2.03585 2.04653 2.04790 2.15689 2.18379 2.22668 2.23331 2.24360 2.26059 2.26545 2.27608 2.29969 2.31097 2.31717 2.32874 2.33336 2.34245 2.34784 2.35581 2.37810 2.38457 2.39554 2.41598 2.42759 2.44488 2.46993 2.48814 2.50782 2.51177 2.51503 2.52379 2.54225 2.55614 2.61069 2.64680 2.65458 2.66546 2.67628 2.68582 2.70350 2.71426 2.71926 2.72285 2.73268 2.73523 2.74497 2.78427 2.78976 2.80901 2.82451 2.83384 2.83610 2.85058 2.89029 2.92786 2.94446 3.05136 3.06956 3.07689 3.07958 3.08490 3.08737 3.09456 3.10901 3.11104 3.11369 3.12289 3.12420 3.12796 3.13370 3.13542 3.13928 3.14175 3.14610 3.15186 3.16264 3.16853 3.17435 3.17918 3.18918 3.19601 3.20067 3.20538 3.21868 3.22727 3.23161 3.29348 3.29876 3.30310 3.30571 3.30822 3.31103 3.31802 3.31943 3.32645 3.33369 3.34516 3.36359 3.36880 3.38048 3.38188 3.66230 3.68453 3.68930 3.69131 3.71134 3.71368 3.72268 3.72509 3.73624 3.74530 3.75687 3.76784 3.78157 3.79239 3.80093 3.89621 3.89829 3.90346 3.90475 3.90928 3.91315 3.92118 3.92860 3.93092 3.93990 3.94580 3.95487 3.96997 3.98293 3.98957 4.97171 4.99223 4.99730 5.00469 5.00641 5.01506 5.02455 5.02684 5.03077 5.04646 5.05589 5.06998 5.10081 5.12966 5.20023 5.36709 5.38187 5.38818 5.39721 5.41401 5.41816 5.43298 5.44318 5.44888 5.45751 5.48398 5.49723 5.52923 5.54073 5.54619 5.63753 5.65035 5.65710 5.66006 5.66399 5.66898 5.66957 5.67346 5.68395 5.69927 5.71797 5.73698 5.75015 5.75419 5.78001 49.87255 49.88086 49.88640 49.89843 49.90109 49.90914 49.91766 49.92620 49.93127 49.93954 49.95002 49.95447 49.96173 49.97423 49.99473 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 -0.830777 0.431939 0.258763 -0.732727 0.282752 -0.661546 0.337481 0.403505 0.356019 -0.755188 0.299727 -0.649208 0.394118 -0.673362 0.351338 0.340939 -0.633532 0.345175 0.342772 -0.640227 0.337385 0.339068 -0.747617 0.306158 0.398189 -0.668444 0.391536 0.338531 -0.847705 0.479385 0.391793 -0.752153 0.307712 0.380498 -0.840981 0.405896 0.440246 -0.759780 0.405835 0.305006 -0.653516 0.364845 0.439685 0.273297 0.397169 -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 0.006076 -0.046469 0.031954 -0.023522 0.003673 0.018916 0.054415 0.036226 -0.043269 0.061624 0.023473 -0.063943 0.005161 -0.048940 -0.015375 0.00000 -2.82113018e-01 -4.87322581e-01 4.28002424e-02 1.44459235e+02 1.41067471e+00 1.35407709e+02 6.09088895e-01 5.21770635e-02 1.24186178e+02 -2.4195 -0.0005 0.0006 0.0008 2.0215 3.2769 22.6692 41.3822 41.8183 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 22.6631 41.3815 41.8176 50.4928 59.4694 63.6814 67.8679 71.3484 75.9905 77.5866 81.3330 84.5316 88.3996 94.1040 103.2794 104.2541 148.3849 166.9109 171.6852 176.1604 177.2691 183.4456 187.9213 192.6371 200.2157 206.0976 213.6082 214.7846 228.7039 229.7070 238.4500 256.8438 274.3007 276.9464 279.9711 305.1624 311.2786 315.5143 318.9259 322.8943 328.5250 333.2998 337.3499 344.8355 352.3663 372.1685 426.4035 455.1509 471.3198 485.2139 490.1635 502.3165 509.2656 536.4676 545.5939 575.8421 581.0451 595.8880 607.3951 638.5581 653.0376 676.1310 692.9704 712.8574 718.8666 740.2349 743.1749 762.5013 780.1368 796.4235 808.5556 824.5896 836.3015 838.6993 872.6413 911.1995 959.5194 961.6033 983.1430 997.4445 1035.5880 1056.7736 1096.2286 1125.9391 1643.7738 1647.7055 1654.4583 1656.9857 1660.8545 1664.4658 1667.3996 1678.0162 1697.1821 1704.7878 1717.6380 1719.9579 1729.3918 1735.7228 1748.6847 3046.8120 3140.1869 3176.1051 3214.1618 3234.8011 3289.8913 3336.2235 3376.4051 3445.8854 3471.8089 3525.3199 3554.4554 3574.3724 3576.7895 3581.9431 3603.1217 3616.6466 3618.0445 3627.5767 3634.2848 3636.7680 3667.6120 3691.0774 3867.4124 3874.3788 3876.5176 3878.8745 3881.4203 3884.2705 3893.6554 4.8771 5.5499 4.9481 5.9598 6.0218 6.0690 6.0891 6.0525 6.1317 6.2768 6.6678 5.7280 6.4947 6.9427 6.8246 7.4979 6.1621 5.4515 5.4471 4.7761 5.5549 4.6333 4.8068 3.5953 1.5216 5.6495 5.4740 5.4824 5.9184 5.7265 5.5310 1.1454 5.4339 5.6892 4.5065 1.5840 1.3764 3.7640 3.9572 3.7667 2.5039 1.4673 3.7178 1.9879 2.0229 1.1138 1.0879 1.0591 1.0464 1.0653 1.0475 1.0643 1.0706 1.0405 1.0362 1.0286 1.0371 1.0366 1.0442 1.0513 1.0381 1.0494 1.0493 1.0635 1.0549 1.0541 1.0496 1.0663 1.0527 1.0772 1.0739 1.0482 1.0569 1.0532 1.0680 1.0493 1.0455 1.0497 1.0491 1.0454 1.0484 1.0443 1.0522 1.0402 1.0745 1.0757 1.0788 1.0724 1.0720 1.0711 1.0705 1.0735 1.0687 1.0664 1.0670 1.0683 1.0661 1.0664 1.0623 1.0699 1.0677 1.0671 1.0674 1.0675 1.0690 1.0659 1.0659 1.0654 1.0642 1.0642 1.0528 1.0680 1.0632 1.0533 1.0499 1.0625 1.0657 1.0478 1.0689 1.0821 1.0819 1.0833 1.0655 1.0669 1.0664 1.0659 1.0664 1.0662 1.0691 0.0015 0.0056 0.0051 0.0090 0.0125 0.0145 0.0165 0.0182 0.0209 0.0223 0.0260 0.0241 0.0299 0.0362 0.0429 0.0480 0.0799 0.0895 0.0946 0.0873 0.1028 0.0919 0.1000 0.0786 0.0359 0.1414 0.1472 0.1490 0.1824 0.1780 0.1853 0.0445 0.2409 0.2571 0.2081 0.0869 0.0786 0.2208 0.2371 0.2314 0.1592 0.0960 0.2493 0.1393 0.1480 0.0909 0.1165 0.1293 0.1370 0.1478 0.1483 0.1582 0.1636 0.1764 0.1817 0.2010 0.2063 0.2169 0.2270 0.2526 0.2608 0.2826 0.2969 0.3184 0.3212 0.3403 0.3416 0.3653 0.3775 0.4026 0.4136 0.4199 0.4355 0.4365 0.4792 0.5133 0.5671 0.5719 0.5975 0.6128 0.6624 0.6871 0.7450 0.7770 1.7106 1.7207 1.7398 1.7348 1.7422 1.7483 1.7535 1.7809 1.8137 1.8260 1.8547 1.8620 1.8786 1.8930 1.9138 5.8517 6.2031 6.3421 6.4970 6.5814 6.8171 6.9900 7.1597 7.4533 7.5575 7.7925 7.8370 8.0397 8.0141 7.9621 8.0306 8.1879 8.2192 8.1240 8.3181 8.4321 8.5741 8.6961 9.3895 9.4360 9.4415 9.4491 9.4653 9.4774 9.5493 2.6414 0.9252 1.3575 0.2727 2.9365 0.9816 1.3237 0.8936 1.8987 0.1100 2.4540 2.4732 4.8956 1.2180 2.3311 1.1134 6.7197 16.4653 6.3719 3.5304 3.5448 4.7887 33.2199 18.6690 96.6581 8.1379 4.3011 25.8767 19.0818 7.0365 39.4470 114.2335 26.0307 31.5676 33.7262 22.6736 7.1035 13.0933 29.2311 25.7605 8.2038 70.4425 41.0936 10.0344 74.3586 64.5776 24.2109 20.5705 3.8605 26.3219 19.1925 70.2825 48.4420 2.7181 9.2263 87.6519 41.9619 13.1382 4.7449 44.3798 33.1688 4.8540 166.1130 255.3244 95.9672 58.3650 196.5606 110.7623 189.0581 93.4880 637.1327 101.5141 448.1465 80.7131 47.6873 30.3715 69.6104 21.9531 84.4000 235.2880 185.8978 12.0739 118.9643 102.3504 14.8284 131.7352 58.5819 114.1450 84.4921 31.8606 99.5849 84.1802 6.1903 44.8082 46.1765 87.2664 8.5542 89.8634 7.5657 996.0673 661.6384 884.4403 1606.2147 823.0626 270.6278 2692.7678 325.7644 1701.5749 324.2112 114.5910 522.7662 921.2708 257.2470 348.3864 550.3439 33.6495 998.1627 73.2049 137.4352 33.9890 903.6229 1121.5060 63.6373 63.9596 71.0410 64.6934 66.5187 56.9906 77.8883 -0.04 -0.01 -0.15 -0.04 -0.08 0.11 -0.15 -0.55 0.39 0.00 0.05 0.05 0.02 0.07 0.07 0.05 0.10 -0.09 0.01 0.03 -0.15 0.02 0.07 0.01 0.05 0.10 -0.09 -0.01 -0.02 0.02 -0.06 0.04 0.02 -0.10 -0.22 0.32 -0.05 -0.10 0.15 0.04 -0.03 -0.02 0.07 -0.03 -0.02 0.03 -0.03 -0.02 -0.00 0.01 0.03 0.01 0.03 0.03 -0.01 -0.01 0.03 0.03 0.01 -0.02 0.01 0.00 -0.01 0.02 0.00 -0.02 0.01 -0.01 -0.04 0.01 -0.02 -0.05 0.01 -0.01 -0.02 0.01 0.05 0.04 0.01 0.05 0.04 0.01 0.06 0.04 0.03 0.07 -0.06 0.04 0.04 -0.07 0.03 0.05 -0.07 -0.01 -0.02 0.02 -0.02 -0.05 0.04 -0.00 0.01 0.03 0.02 0.00 -0.08 0.02 -0.02 -0.05 0.02 -0.00 -0.07 0.02 0.09 0.03 0.02 0.09 -0.01 0.03 0.12 0.04 -0.06 -0.05 -0.05 -0.04 -0.02 -0.01 -0.05 -0.03 -0.13 -0.10 -0.09 -0.02 -0.02 -0.01 -0.14 -0.02 -0.04 -0.14 -0.08 -0.00 0.06 -0.14 0.19 -0.21 0.06 0.07 0.22 0.10 0.09 0.28 0.14 0.14 -0.02 0.10 0.06 -0.08 0.09 0.11 0.14 0.11 0.09 -0.04 -0.07 -0.01 0.17 -0.07 -0.01 0.21 -0.07 0.06 -0.16 -0.05 0.03 -0.17 -0.03 -0.07 0.08 -0.05 -0.05 0.11 -0.02 -0.04 0.06 -0.02 0.01 -0.11 -0.02 -0.02 -0.10 -0.03 0.03 -0.09 0.08 0.04 0.08 0.04 0.02 0.12 0.06 0.03 0.07 -0.00 -0.02 0.03 -0.01 -0.03 0.03 -0.01 -0.00 -0.03 -0.01 0.10 -0.00 0.02 0.09 0.08 -0.01 0.02 -0.03 -0.02 -0.06 -0.02 -0.02 -0.07 0.01 0.01 -0.05 -0.02 -0.06 0.06 -0.05 -0.09 0.08 -0.04 -0.04 0.09 -0.03 0.06 -0.01 -0.02 0.05 0.01 -0.05 0.06 0.00 0.00 0.00 -0.07 -0.07 -0.01 -0.07 -0.05 0.02 -0.10 -0.08 -0.03 -0.20 0.01 -0.01 -0.11 0.11 -0.04 -0.11 -0.10 -0.04 -0.32 0.06 0.02 -0.03 -0.10 -0.04 -0.04 -0.08 -0.04 -0.02 -0.02 -0.06 -0.02 -0.08 -0.00 0.01 0.03 0.05 -0.06 0.09 0.04 0.00 -0.04 0.02 -0.01 -0.05 0.02 0.00 0.01 0.03 -0.01 -0.06 -0.03 -0.00 0.01 -0.04 0.01 0.01 -0.05 -0.03 -0.07 -0.04 -0.05 -0.08 -0.03 0.02 0.04 -0.02 0.02 0.03 0.01 0.01 0.06 0.07 -0.05 0.05 0.04 -0.04 0.04 0.09 -0.07 0.03 0.05 -0.04 0.04 0.02 -0.03 0.03 0.03 -0.04 0.06 0.05 -0.01 0.10 0.06 -0.00 0.11 0.06 -0.03 0.09 0.03 0.04 -0.09 0.03 0.04 -0.09 0.01 0.02 -0.07 -0.00 -0.02 -0.08 -0.01 -0.01 -0.06 0.00 -0.02 -0.08 0.11 -0.09 -0.04 0.13 -0.11 -0.04 0.08 -0.04 -0.07 0.01 -0.03 -0.09 0.05 -0.06 -0.08 0.02 -0.03 -0.05 -0.02 -0.00 -0.03 -0.02 -0.01 -0.05 -0.05 0.02 -0.02 -0.18 0.26 0.25 -0.14 0.18 0.18 -0.07 -0.01 -0.00 -0.40 0.43 0.29 -0.06 -0.04 -0.11 -0.07 -0.06 0.08 0.08 -0.05 -0.14 0.11 -0.15 -0.01 -0.13 -0.07 0.12 -0.11 -0.09 0.14 -0.09 -0.09 0.06 -0.11 -0.08 0.06 -0.11 -0.08 0.11 -0.06 -0.05 0.05 0.11 -0.01 -0.15 0.08 0.03 -0.16 0.04 -0.12 -0.04 -0.00 -0.09 0.00 0.05 0.09 0.02 0.08 0.06 -0.04 0.03 0.04 0.06 -0.06 0.06 -0.02 -0.09 0.08 -0.04 -0.02 0.09 -0.04 0.14 -0.11 -0.03 0.16 -0.08 -0.07 0.10 -0.09 0.04 0.01 -0.04 0.14 -0.01 -0.08 0.20 -0.02 -0.00 0.09 -0.03 0.06 -0.12 -0.10 0.01 -0.07 -0.03 0.07 -0.12 0.04 0.09 0.00 0.04 0.10 0.03 0.07 0.10 0.00 0.01 0.16 -0.08 0.03 0.21 -0.11 -0.01 0.14 -0.10 0.11 0.07 -0.00 0.08 0.08 -0.01 0.12 0.03 -0.00 -0.08 0.12 -0.06 -0.03 0.11 -0.04 -0.11 0.11 -0.06 -0.06 -0.16 0.06 -0.09 -0.12 0.09 -0.06 -0.10 0.06 -0.07 -0.18 0.07 -0.00 -0.02 0.05 0.11 -0.04 0.03 -0.05 0.11 -0.09 -0.02 -0.16 0.23 0.07 0.08 0.07 0.07 0.09 0.06 0.12 0.03 0.06 0.12 -0.00 0.04 0.08 0.07 0.07 0.07 -0.05 0.01 -0.07 0.10 -0.21 -0.06 0.09 -0.24 -0.05 0.05 0.17 -0.01 0.03 0.13 -0.10 0.22 -0.02 -0.12 0.19 -0.09 -0.06 0.18 0.05 0.01 -0.01 -0.03 -0.03 -0.07 -0.05 0.02 -0.03 -0.05 -0.02 -0.07 -0.03 -0.06 -0.01 -0.10 0.00 -0.02 0.05 -0.03 0.05 0.17 -0.02 0.06 0.24 -0.02 0.05 0.10 -0.04 0.05 -0.05 0.01 0.07 -0.02 -0.06 -0.02 -0.06 -0.04 -0.13 -0.01 -0.07 -0.01 -0.00 -0.04 -0.14 -0.01 -0.03 -0.08 -0.06 -0.03 -0.09 -0.05 -0.04 -0.03 -0.07 0.00 -0.10 -0.01 -0.02 -0.08 -0.04 0.00 -0.11 -0.01 -0.06 -0.14 -0.06 -0.04 -0.15 -0.02 -0.09 -0.17 -0.07 0.13 -0.01 -0.01 0.11 0.02 0.03 0.11 -0.04 0.03 0.19 -0.06 -0.01 0.10 -0.05 0.03 -0.02 0.15 -0.04 0.07 -0.04 -0.04 0.11 -0.08 0.05 0.09 -0.10 -0.02 0.08 -0.11 -0.04 -0.06 0.12 -0.04 -0.06 0.13 -0.04 0.03 -0.00 -0.04 -0.05 0.13 -0.04 0.05 -0.07 -0.05 0.07 -0.09 -0.08 0.09 -0.03 0.03 0.06 0.06 0.00 -0.12 0.04 0.07 -0.04 0.00 0.03 -0.10 -0.01 0.13 0.00 -0.01 -0.17 0.02 -0.02 -0.16 0.01 0.04 -0.15 -0.05 -0.14 0.07 -0.02 -0.12 0.02 -0.06 -0.13 0.11 -0.01 -0.05 0.18 0.01 -0.03 0.21 -0.00 -0.06 0.03 0.10 -0.12 0.09 0.11 -0.11 0.10 0.15 -0.10 0.06 -0.10 0.08 -0.03 -0.10 0.10 -0.03 -0.11 0.08 -0.03 -0.07 0.08 -0.04 -0.12 0.10 -0.02 -0.01 -0.01 0.03 -0.11 0.08 -0.03 -0.14 0.09 -0.02 -0.08 -0.00 0.01 0.23 -0.03 -0.05 0.11 0.01 -0.06 0.34 -0.04 -0.06 -0.03 0.00 0.04 0.03 -0.05 -0.00 -0.04 0.14 -0.02 -0.07 0.05 0.04 -0.05 0.13 -0.04 -0.08 0.04 0.09 0.01 -0.05 -0.03 0.05 -0.01 0.01 0.12 0.04 0.06 0.10 -0.05 0.03 -0.02 0.18 0.16 -0.04 0.16 0.14 0.06 0.09 0.09 -0.03 0.17 0.14 -0.00 -0.06 -0.04 0.01 -0.08 -0.04 0.02 -0.03 -0.00 -0.01 0.01 0.02 -0.07 -0.08 -0.06 -0.05 -0.08 -0.05 -0.08 -0.08 -0.07 0.06 -0.11 0.09 0.03 -0.02 0.07 0.10 -0.11 0.05 -0.12 -0.04 -0.02 -0.06 -0.05 -0.03 -0.11 -0.05 -0.05 -0.00 -0.04 -0.07 0.03 0.00 -0.08 0.03 -0.09 -0.01 0.12 0.11 -0.18 0.14 0.11 -0.15 0.07 0.05 -0.16 -0.10 0.08 0.07 -0.08 0.02 0.02 -0.13 0.07 0.07 0.23 -0.07 -0.09 0.28 -0.05 -0.12 0.17 -0.03 -0.15 -0.10 0.03 0.07 -0.04 0.01 0.04 -0.09 0.04 0.08 -0.03 0.05 -0.02 -0.07 0.06 0.02 -0.12 0.05 -0.01 -0.02 -0.10 -0.04 0.03 -0.06 0.01 -0.07 0.04 0.06 0.10 -0.23 -0.05 -0.09 0.03 0.10 -0.06 -0.14 0.01 -0.04 -0.06 -0.05 -0.07 -0.11 -0.06 -0.11 0.17 -0.07 -0.13 0.15 -0.10 -0.06 0.01 0.05 -0.03 -0.04 0.02 -0.11 0.11 -0.02 -0.07 0.01 0.12 -0.02 -0.03 -0.04 -0.05 0.00 -0.06 -0.07 -0.12 -0.06 -0.07 -0.14 -0.05 0.06 0.01 0.03 0.03 -0.00 0.00 0.04 0.00 0.03 0.09 0.02 -0.15 0.09 0.01 -0.15 0.08 0.00 -0.14 -0.04 -0.05 0.02 -0.02 -0.03 -0.01 0.03 -0.03 0.00 0.10 0.00 0.01 0.11 0.01 0.02 0.10 0.00 -0.07 0.03 0.16 0.06 0.02 0.16 0.05 0.05 0.16 0.04 0.03 0.01 0.19 0.03 0.01 0.17 0.02 -0.02 0.19 -0.04 -0.00 -0.01 -0.10 0.09 -0.02 -0.02 0.04 0.01 0.02 -0.10 0.18 0.01 -0.08 0.15 0.01 -0.08 0.15 0.15 -0.06 -0.10 0.13 -0.06 0.03 0.17 -0.18 -0.14 -0.08 0.12 -0.12 -0.10 0.14 -0.10 -0.03 -0.11 -0.05 -0.06 0.10 -0.12 -0.05 -0.15 0.05 -0.02 0.01 -0.09 -0.07 0.01 0.00 -0.10 -0.02 -0.01 0.20 -0.08 -0.08 0.22 -0.10 -0.05 0.13 0.02 -0.06 0.10 0.01 -0.07 0.20 -0.07 -0.09 0.16 0.08 0.01 -0.05 0.03 -0.02 -0.08 0.05 -0.10 -0.07 0.01 -0.00 -0.05 0.01 -0.04 0.21 0.03 0.05 0.14 0.03 0.01 0.13 0.02 0.03 -0.13 0.05 -0.01 -0.16 0.08 -0.03 -0.10 0.03 -0.05 -0.10 -0.03 0.08 -0.09 -0.02 0.05 -0.08 -0.02 0.07 -0.08 -0.04 0.04 -0.11 -0.07 -0.01 -0.10 0.00 0.03 -0.00 -0.14 -0.12 0.04 -0.10 -0.14 0.02 -0.08 -0.13 0.17 0.04 0.16 0.18 0.02 0.13 0.13 0.01 0.16 -0.05 0.04 -0.13 -0.02 0.13 -0.18 -0.06 -0.06 -0.14 -0.05 -0.05 0.17 -0.07 -0.02 0.13 -0.07 -0.04 0.13 -0.08 0.09 0.02 0.00 0.06 0.09 -0.12 0.02 -0.01 -0.05 0.03 0.02 0.04 -0.02 -0.01 -0.03 0.00 -0.06 -0.12 0.07 0.03 -0.04 -0.02 -0.03 0.06 -0.08 -0.08 0.27 0.02 0.00 0.12 -0.22 -0.07 0.00 -0.05 0.05 0.01 -0.06 0.06 -0.04 0.08 -0.03 -0.02 0.03 -0.06 -0.01 0.00 0.02 -0.05 0.07 0.00 0.28 0.04 0.05 0.29 0.04 0.08 0.16 -0.20 -0.06 0.17 -0.18 -0.10 -0.08 0.08 0.05 0.01 0.08 0.09 -0.10 0.09 0.03 -0.01 0.08 -0.02 -0.01 0.07 -0.02 -0.03 -0.00 -0.03 -0.08 0.19 -0.00 0.00 0.16 -0.01 -0.06 0.17 -0.05 -0.09 0.19 -0.05 -0.07 0.20 -0.04 -0.07 0.16 -0.05 -0.03 -0.05 -0.03 -0.01 -0.04 -0.02 -0.02 -0.05 -0.04 -0.08 0.01 0.07 -0.09 0.05 0.07 -0.06 -0.04 0.06 -0.05 -0.11 -0.06 -0.05 -0.11 -0.06 -0.05 -0.09 -0.06 -0.02 -0.13 0.05 0.02 -0.12 -0.00 -0.04 -0.01 0.04 -0.03 -0.02 -0.01 -0.05 -0.01 0.04 -0.04 -0.06 -0.03 0.00 -0.02 0.07 -0.01 -0.03 0.06 0.05 -0.05 -0.05 -0.11 0.04 0.10 -0.00 -0.13 -0.03 -0.01 0.08 -0.04 -0.02 -0.09 -0.03 0.05 -0.04 0.01 0.03 -0.01 0.03 0.04 0.03 0.04 0.03 0.05 -0.03 0.02 0.05 -0.03 0.04 0.01 -0.00 0.03 0.05 -0.02 -0.04 -0.13 -0.05 -0.02 -0.16 -0.05 0.04 -0.02 0.01 0.02 0.03 -0.01 -0.02 -0.08 0.03 -0.05 -0.07 0.02 0.09 -0.05 0.05 0.16 0.30 0.05 0.14 0.20 0.03 0.14 0.25 0.05 -0.07 -0.10 -0.05 -0.07 -0.08 -0.07 0.04 -0.06 -0.07 0.32 0.06 -0.01 0.30 0.05 -0.03 0.29 0.10 0.01 -0.19 -0.11 -0.04 -0.12 -0.07 -0.03 -0.16 -0.11 -0.06 -0.04 -0.04 0.03 -0.03 -0.10 0.02 -0.04 -0.01 0.03 -0.03 0.01 0.09 0.05 -0.00 0.06 -0.07 -0.04 0.04 -0.06 0.03 0.05 -0.10 0.03 0.07 -0.06 -0.04 0.04 -0.14 -0.03 -0.08 -0.15 -0.03 -0.03 -0.17 -0.05 -0.09 -0.01 -0.02 0.02 0.01 -0.02 0.02 -0.02 0.06 -0.01 -0.01 -0.04 0.02 -0.02 0.06 -0.01 -0.01 0.08 -0.13 0.01 0.00 -0.09 -0.01 -0.15 0.05 -0.00 -0.05 -0.01 0.02 -0.04 0.02 -0.01 0.05 -0.14 0.02 0.02 -0.15 -0.00 0.00 -0.06 -0.03 0.03 -0.07 0.01 0.02 -0.10 0.01 0.03 -0.00 -0.01 -0.02 0.02 -0.01 0.05 -0.04 -0.08 0.01 -0.07 -0.10 0.00 -0.09 -0.10 0.01 -0.09 -0.01 -0.09 0.05 0.00 -0.12 0.05 -0.00 -0.00 0.07 0.08 0.02 -0.10 0.12 0.02 -0.12 0.05 0.01 -0.10 -0.06 -0.00 -0.07 -0.04 0.00 -0.01 -0.04 -0.03 -0.01 0.03 -0.02 0.00 0.02 -0.04 0.03 -0.02 -0.09 0.02 -0.08 -0.13 0.15 -0.09 -0.09 0.15 -0.03 -0.07 0.15 0.11 0.20 0.10 0.13 0.29 0.05 0.08 0.13 0.06 0.13 0.10 0.18 0.12 0.12 0.16 0.12 0.10 0.14 -0.04 -0.18 0.07 -0.06 -0.18 0.10 -0.06 -0.21 0.06 -0.06 0.01 0.04 -0.05 -0.01 0.02 -0.02 0.02 -0.11 -0.23 0.12 0.08 0.03 0.07 -0.06 0.18 -0.09 -0.04 -0.13 0.01 0.05 -0.09 0.10 0.06 -0.05 -0.10 0.04 -0.05 -0.13 0.03 -0.16 0.12 -0.03 -0.09 0.05 -0.06 -0.09 -0.02 0.03 -0.15 0.15 0.07 -0.16 -0.04 0.01 -0.13 -0.07 0.06 -0.05 0.13 0.06 -0.00 0.04 0.05 -0.06 -0.07 -0.05 -0.09 -0.06 -0.06 -0.09 -0.06 -0.06 -0.03 0.05 -0.04 -0.03 0.13 -0.04 -0.03 -0.01 -0.07 0.10 -0.04 -0.09 0.01 -0.03 -0.06 0.13 -0.02 -0.09 0.03 -0.04 -0.08 0.02 -0.07 0.00 0.01 -0.01 -0.10 0.03 -0.05 -0.02 0.01 -0.07 -0.01 0.06 -0.01 -0.03 -0.10 0.17 0.11 -0.08 0.08 0.10 -0.05 0.08 0.10 -0.04 -0.05 -0.08 -0.07 0.01 -0.09 -0.03 -0.05 -0.07 0.14 -0.15 0.05 0.09 -0.11 0.03 0.12 -0.15 0.01 0.04 0.13 -0.00 -0.02 0.15 0.04 0.07 0.08 -0.02 0.16 0.02 0.15 0.06 -0.01 0.09 0.18 -0.12 -0.03 -0.08 0.24 0.18 0.19 -0.11 0.00 -0.04 -0.10 0.07 -0.09 -0.15 -0.02 -0.01 -0.03 -0.06 0.15 0.01 -0.09 0.13 -0.05 -0.13 0.06 -0.02 0.11 0.04 -0.02 0.11 0.11 0.01 -0.02 0.04 -0.05 0.05 -0.10 -0.17 0.00 -0.08 -0.18 0.07 -0.04 -0.11 -0.05 -0.06 -0.11 -0.01 -0.10 -0.04 0.11 -0.12 -0.04 0.09 -0.08 -0.02 0.10 -0.11 0.23 0.05 -0.10 0.14 0.05 -0.11 0.19 0.04 0.06 -0.00 -0.20 0.01 -0.02 -0.16 0.02 0.00 -0.15 -0.06 0.12 0.03 -0.09 0.07 0.06 -0.09 0.16 0.04 0.18 0.03 0.03 0.19 0.03 0.02 0.13 -0.02 0.07 -0.04 -0.07 -0.04 -0.04 -0.05 -0.01 -0.01 -0.08 -0.04 -0.03 0.09 -0.11 -0.05 0.01 -0.07 0.03 0.06 -0.04 0.06 0.01 -0.08 0.03 0.05 -0.12 0.05 0.02 -0.12 0.02 -0.04 0.20 -0.00 -0.03 0.14 0.06 -0.01 0.21 -0.03 0.07 -0.04 0.04 0.04 -0.06 -0.02 -0.07 0.03 0.04 0.03 -0.07 -0.01 -0.07 0.03 0.06 0.09 -0.05 -0.07 -0.14 0.02 0.06 0.07 0.01 -0.12 -0.00 0.07 -0.09 0.03 0.11 0.01 -0.08 -0.12 0.02 -0.05 -0.10 -0.07 -0.03 0.01 0.02 -0.05 -0.09 -0.12 -0.21 -0.01 -0.07 -0.26 -0.04 0.06 0.04 0.02 0.04 0.07 0.02 0.09 -0.00 0.27 0.01 -0.02 0.20 0.00 0.00 0.21 0.06 -0.11 -0.01 0.05 -0.09 -0.02 0.07 -0.10 -0.01 -0.12 0.00 -0.22 -0.16 -0.02 -0.17 -0.17 0.01 -0.15 -0.16 0.18 0.05 -0.10 0.26 0.02 -0.09 0.09 0.04 -0.01 0.08 -0.03 -0.07 0.04 -0.02 0.00 0.10 -0.03 0.10 0.03 0.02 0.09 0.02 0.10 0.14 0.05 0.02 0.08 -0.03 0.04 0.09 0.02 0.01 0.04 0.01 0.00 -0.03 0.03 0.03 -0.05 0.00 0.08 -0.07 0.03 -0.08 0.04 0.03 -0.09 0.07 0.02 -0.07 0.01 0.03 -0.10 0.07 -0.05 0.04 -0.01 -0.02 0.06 0.04 0.07 -0.01 0.02 -0.02 0.05 0.03 0.07 -0.03 0.07 0.09 -0.08 0.04 0.05 0.01 0.04 0.02 0.05 -0.20 -0.03 0.07 -0.16 -0.03 0.12 -0.03 -0.12 -0.18 0.00 -0.09 -0.16 -0.15 -0.03 0.00 -0.03 -0.11 -0.14 0.02 0.02 -0.01 0.04 -0.00 -0.08 0.06 0.07 0.04 0.07 0.08 0.01 0.02 -0.03 -0.07 0.03 -0.02 -0.05 0.07 -0.03 -0.04 -0.06 0.18 0.05 -0.07 0.11 0.04 -0.05 0.14 0.02 -0.14 -0.06 0.13 -0.10 -0.04 0.09 -0.07 -0.04 0.08 0.09 -0.05 -0.01 0.04 -0.10 -0.07 0.04 0.01 0.02 0.23 0.22 -0.02 0.08 0.13 0.02 0.14 0.17 0.03 0.01 -0.11 0.01 0.02 -0.07 -0.05 -0.05 -0.15 0.01 0.01 -0.01 -0.18 -0.02 -0.11 -0.13 0.06 0.06 -0.13 -0.13 -0.04 0.02 -0.12 0.02 -0.08 -0.11 -0.05 0.08 0.02 -0.06 0.19 0.04 -0.07 0.18 0.02 -0.09 0.18 0.04 -0.07 0.05 -0.06 -0.03 0.06 0.04 0.07 -0.03 -0.00 -0.03 0.06 0.02 0.05 -0.05 0.08 -0.10 -0.01 -0.15 -0.07 -0.03 -0.09 -0.22 -0.13 0.03 -0.02 0.00 0.02 0.01 -0.02 0.02 -0.06 -0.02 0.02 -0.07 -0.03 0.04 -0.03 0.01 0.03 -0.06 -0.04 -0.10 -0.02 0.01 -0.14 0.02 -0.04 -0.09 -0.24 -0.12 -0.09 -0.27 -0.12 -0.07 0.05 -0.05 -0.07 0.05 -0.04 -0.01 0.05 -0.02 0.04 -0.07 0.05 0.03 -0.02 0.05 0.06 0.00 0.06 -0.16 0.03 0.13 -0.13 0.03 0.13 -0.12 0.03 0.08 0.03 -0.00 -0.02 0.05 0.04 -0.09 0.06 -0.04 0.02 0.01 0.03 -0.00 -0.01 0.01 0.01 0.02 0.03 -0.01 -0.02 0.02 -0.09 -0.02 0.03 -0.09 -0.04 0.03 -0.09 0.02 0.23 0.06 0.01 0.31 0.03 0.02 0.16 0.06 -0.07 0.04 0.02 -0.07 0.03 0.02 -0.05 0.04 0.05 -0.00 0.07 -0.03 -0.00 0.07 -0.07 -0.02 0.12 -0.01 0.29 0.03 0.08 0.19 0.00 0.04 0.08 -0.06 -0.02 0.07 0.23 0.11 0.06 -0.12 -0.00 -0.00 -0.03 0.04 -0.04 0.01 -0.11 -0.02 -0.09 -0.01 -0.09 0.01 0.05 -0.12 0.02 0.01 -0.12 0.22 0.03 -0.09 0.11 -0.03 -0.15 0.07 0.05 -0.16 0.19 0.09 -0.02 0.05 -0.17 -0.08 0.10 -0.40 -0.05 -0.04 -0.03 -0.06 -0.05 -0.01 0.21 -0.10 0.18 0.20 -0.10 0.18 0.17 -0.08 0.13 -0.01 -0.02 -0.01 0.00 -0.09 -0.01 -0.02 0.01 0.01 0.00 0.09 0.08 -0.04 0.09 0.12 -0.01 0.08 0.07 0.02 -0.00 -0.02 0.00 0.00 -0.16 0.02 0.01 -0.01 -0.00 -0.10 -0.01 0.00 -0.11 0.02 -0.03 -0.14 0.00 -0.00 -0.04 -0.02 -0.02 -0.07 0.02 0.01 -0.01 -0.02 0.01 -0.00 -0.07 0.04 -0.07 -0.04 0.03 -0.03 -0.06 0.00 0.08 -0.12 0.02 0.07 -0.13 0.02 0.08 -0.07 -0.03 -0.15 0.09 -0.05 -0.15 0.05 -0.00 -0.11 0.11 0.10 0.04 -0.01 0.02 0.03 -0.03 0.01 -0.01 -0.00 0.02 0.14 -0.00 0.02 -0.01 0.01 -0.03 0.03 0.00 -0.04 -0.01 -0.09 -0.01 -0.08 -0.01 0.05 -0.02 -0.03 0.05 -0.03 -0.04 0.01 -0.05 -0.03 0.01 -0.02 -0.01 0.05 -0.02 -0.02 0.02 -0.03 -0.02 -0.02 0.03 -0.12 -0.05 0.06 -0.20 -0.05 -0.04 -0.03 -0.06 -0.01 -0.02 -0.01 -0.18 -0.05 0.04 -0.17 -0.00 -0.10 -0.18 -0.11 -0.07 0.22 -0.12 -0.03 0.12 -0.10 -0.13 0.21 -0.07 0.02 0.03 0.11 0.02 0.04 0.11 -0.00 0.02 0.11 -0.18 0.01 0.07 -0.20 -0.03 0.11 -0.23 0.06 -0.03 0.01 0.07 0.02 0.02 0.09 -0.01 -0.01 0.07 0.04 -0.01 0.01 0.01 0.00 -0.04 0.01 0.00 0.04 0.01 0.15 -0.16 0.19 0.22 -0.32 0.22 0.09 -0.06 0.15 0.05 0.06 0.02 0.09 0.04 0.04 0.07 0.06 0.06 0.00 0.02 -0.10 -0.00 0.02 -0.06 0.05 -0.03 -0.12 0.08 -0.02 0.05 0.06 -0.04 0.03 -0.03 -0.00 0.02 0.01 0.06 0.05 -0.00 0.04 -0.00 0.06 -0.14 0.02 0.10 0.08 -0.03 0.02 0.10 0.07 0.13 -0.09 -0.09 0.13 -0.17 -0.10 -0.04 -0.00 -0.03 -0.02 -0.02 -0.05 0.09 -0.02 -0.07 -0.04 -0.01 -0.03 0.06 0.04 -0.12 0.07 0.01 -0.28 0.04 0.13 0.07 0.08 0.05 0.08 0.01 -0.11 0.12 0.06 -0.11 0.15 0.01 -0.09 0.10 0.04 -0.06 -0.05 0.05 -0.07 -0.04 0.03 -0.03 -0.02 -0.07 0.04 0.03 -0.10 0.05 0.03 -0.03 0.06 0.01 0.05 0.02 -0.01 0.07 0.05 -0.05 0.07 -0.01 -0.03 0.06 0.16 0.04 0.08 0.18 0.03 0.03 0.11 0.05 -0.05 0.00 -0.09 -0.06 -0.03 -0.04 -0.02 -0.01 -0.10 -0.05 0.11 0.10 -0.14 0.20 0.10 -0.02 0.14 0.15 -0.00 -0.09 0.00 -0.02 -0.10 0.02 -0.01 -0.07 -0.02 -0.11 0.05 -0.01 -0.08 0.04 -0.06 -0.17 0.11 0.02 -0.12 -0.06 0.01 -0.04 -0.12 -0.04 0.09 -0.10 -0.03 -0.35 0.08 0.06 0.06 -0.15 0.02 0.05 -0.06 -0.02 0.04 0.04 -0.02 -0.00 0.01 0.03 -0.05 0.04 0.06 -0.04 0.09 0.08 0.05 -0.02 0.02 0.04 -0.03 0.01 -0.02 0.01 0.03 0.05 -0.03 0.00 0.02 0.02 -0.09 0.03 0.01 -0.16 0.01 0.06 0.02 0.04 0.02 0.01 -0.03 -0.23 -0.09 0.04 -0.21 -0.01 -0.08 -0.21 -0.16 0.02 0.03 0.24 -0.05 0.13 0.21 0.09 -0.04 0.16 -0.06 0.12 -0.00 -0.07 0.12 0.03 -0.03 0.13 -0.03 -0.06 0.03 0.15 -0.05 0.02 0.30 -0.06 0.01 0.18 -0.08 -0.08 -0.05 -0.07 -0.09 -0.01 -0.03 -0.07 -0.08 -0.00 -0.00 -0.04 0.02 -0.06 -0.06 -0.02 -0.00 -0.04 -0.03 0.11 -0.09 -0.00 0.20 -0.14 -0.04 0.03 -0.12 0.01 -0.06 0.04 0.01 -0.04 0.01 -0.01 0.00 0.02 0.21 0.01 -0.09 0.10 0.05 -0.08 0.28 -0.01 -0.10 -0.06 0.03 -0.07 -0.06 0.07 -0.03 0.06 -0.03 -0.04 -0.07 -0.02 -0.05 0.03 -0.08 -0.01 -0.05 0.11 -0.02 -0.04 -0.02 -0.03 0.01 -0.06 -0.03 -0.00 0.01 -0.02 -0.01 0.02 -0.03 0.02 -0.05 -0.01 0.01 -0.00 0.03 0.01 -0.02 -0.01 0.04 -0.03 -0.01 -0.02 0.00 -0.04 -0.04 0.02 -0.02 -0.01 -0.06 -0.03 -0.04 0.00 -0.04 -0.03 -0.12 -0.07 -0.01 -0.11 -0.04 -0.05 -0.12 -0.08 0.04 -0.12 -0.11 0.03 -0.10 -0.12 0.05 -0.10 -0.11 0.03 0.22 -0.10 -0.01 0.20 -0.03 0.11 0.24 -0.17 0.12 -0.03 0.19 0.16 -0.03 0.43 0.15 -0.03 0.05 0.06 0.00 0.05 0.03 -0.01 0.03 0.07 0.05 0.06 0.01 0.02 0.07 0.03 -0.03 0.03 -0.00 0.00 0.07 -0.08 -0.05 -0.06 -0.16 -0.04 -0.04 -0.03 -0.04 -0.00 -0.02 -0.00 0.02 -0.01 0.00 0.00 -0.05 0.05 -0.02 -0.12 0.06 0.07 -0.06 0.04 0.07 -0.20 0.08 0.08 0.05 0.00 0.05 0.06 0.00 0.06 -0.09 0.06 0.05 0.33 -0.14 -0.02 -0.07 0.10 -0.01 0.05 0.04 -0.07 -0.04 -0.01 -0.09 0.08 -0.11 0.05 -0.09 0.05 0.10 -0.07 0.10 0.13 0.11 -0.09 0.07 0.06 -0.03 0.11 -0.04 -0.03 0.08 0.11 -0.13 -0.05 -0.06 -0.05 -0.13 -0.04 -0.08 -0.23 0.05 0.01 0.01 0.05 0.04 -0.01 -0.12 0.01 0.10 -0.09 -0.00 0.09 -0.07 0.01 0.12 0.00 -0.02 -0.09 0.03 0.00 -0.08 -0.02 -0.01 -0.07 -0.00 0.02 0.16 -0.02 0.03 0.17 0.02 0.02 0.12 0.00 0.02 -0.12 0.01 0.04 -0.20 0.01 0.00 -0.12 0.07 -0.15 0.03 0.00 -0.19 0.01 0.11 -0.06 0.04 -0.04 0.01 -0.07 -0.06 0.02 -0.02 -0.00 0.01 -0.08 0.05 0.01 -0.03 0.06 0.01 -0.04 0.07 -0.05 -0.02 0.09 -0.03 0.09 0.10 -0.01 0.04 0.11 -0.01 0.11 -0.05 0.12 0.04 -0.04 0.12 -0.02 -0.09 0.19 0.07 -0.10 0.07 -0.08 -0.08 0.15 0.01 0.03 0.02 -0.03 0.32 -0.27 -0.15 0.04 0.02 -0.03 -0.06 0.08 0.01 -0.02 -0.01 -0.08 0.02 -0.02 0.00 0.09 0.01 -0.09 0.07 0.01 -0.12 -0.01 -0.07 -0.06 0.01 -0.00 -0.01 0.09 -0.00 -0.06 0.01 -0.06 -0.07 -0.01 0.01 -0.09 -0.03 0.03 -0.17 -0.02 -0.03 -0.01 -0.06 0.03 0.00 -0.04 -0.00 0.12 -0.01 -0.01 0.12 -0.01 0.00 0.12 -0.00 -0.03 0.11 -0.00 0.03 0.12 0.00 -0.09 0.09 0.07 0.01 0.06 0.05 0.01 0.08 0.06 -0.00 0.05 0.03 -0.01 -0.11 0.02 -0.00 -0.19 0.03 -0.01 -0.04 -0.11 0.10 -0.03 -0.04 0.14 -0.02 -0.12 0.05 -0.05 -0.05 0.04 0.01 -0.06 0.04 0.05 -0.01 0.02 0.00 -0.10 -0.05 -0.06 -0.09 -0.09 -0.05 -0.10 0.00 -0.07 0.05 -0.00 0.02 0.06 0.01 -0.00 0.06 0.00 0.04 0.12 -0.03 0.00 0.04 -0.00 0.02 0.17 -0.04 -0.01 0.01 -0.03 0.13 0.08 -0.04 0.14 -0.12 -0.02 0.11 0.57 -0.34 -0.02 -0.04 0.10 -0.00 0.03 -0.06 0.01 0.00 0.00 0.03 -0.01 0.05 -0.01 -0.00 -0.03 0.01 -0.01 -0.05 -0.00 -0.03 0.05 -0.05 0.02 -0.00 -0.08 -0.02 -0.00 0.00 -0.05 0.05 0.02 -0.00 -0.01 0.02 0.00 -0.01 0.03 0.00 0.00 0.00 0.01 -0.02 0.01 0.03 0.01 -0.04 0.02 0.01 -0.04 0.02 0.00 -0.04 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.04 0.01 -0.02 -0.01 -0.00 -0.02 -0.01 -0.01 -0.03 -0.01 0.01 -0.02 0.01 0.02 -0.02 0.01 0.02 -0.02 0.00 0.02 0.04 -0.01 0.01 0.02 -0.02 0.02 0.04 -0.01 0.01 0.01 -0.01 0.02 0.02 -0.01 0.00 0.00 -0.00 0.02 0.01 0.04 0.04 0.04 -0.03 0.06 0.02 0.03 0.05 -0.01 -0.01 -0.03 0.00 -0.02 -0.02 -0.01 -0.01 -0.02 -0.03 -0.01 -0.04 -0.01 -0.01 -0.02 -0.05 -0.03 -0.04 -0.06 0.06 0.03 -0.01 0.09 0.08 -0.01 -0.07 0.09 0.80 -0.46 -0.18 0.02 -0.06 -0.01 -0.11 0.03 -0.02 0.16 0.11 -0.01 -0.22 0.00 -0.01 -0.05 0.09 -0.00 -0.07 0.15 -0.02 0.03 -0.02 -0.00 0.01 0.01 0.01 -0.03 0.04 0.01 0.03 -0.03 -0.05 0.20 0.19 0.03 0.14 0.27 0.09 -0.18 0.04 -0.01 -0.15 0.02 -0.04 -0.03 -0.12 0.13 0.05 -0.09 0.21 -0.02 -0.08 0.08 0.02 0.01 0.03 -0.02 0.04 0.02 0.05 -0.02 -0.00 -0.01 -0.18 -0.14 0.10 -0.13 -0.27 -0.03 -0.15 -0.07 -0.02 0.01 -0.04 -0.01 0.03 -0.06 -0.01 -0.01 -0.00 0.13 -0.09 0.07 0.07 -0.13 0.04 0.18 -0.01 0.06 -0.04 -0.05 -0.06 -0.05 -0.06 -0.01 -0.01 -0.01 -0.07 0.01 0.03 -0.03 -0.02 0.10 -0.05 0.04 -0.04 -0.00 -0.03 -0.05 0.08 -0.05 -0.03 0.08 -0.05 -0.06 0.03 -0.05 0.07 -0.09 -0.04 0.08 -0.10 -0.12 0.09 -0.08 0.13 0.02 0.06 0.08 0.03 0.07 -0.14 -0.06 0.02 0.23 -0.00 0.02 -0.08 0.04 0.01 -0.04 -0.05 0.12 -0.03 -0.06 0.01 0.13 0.08 0.02 -0.06 0.24 -0.19 -0.10 0.35 -0.23 -0.01 0.10 -0.09 0.05 0.05 -0.12 -0.03 0.18 -0.16 -0.05 0.06 -0.04 -0.06 -0.10 -0.01 -0.03 -0.14 -0.01 0.08 0.01 0.02 0.05 0.03 0.07 0.02 0.05 -0.08 -0.03 0.04 -0.10 0.02 0.04 -0.07 0.01 0.00 0.04 -0.03 0.02 0.01 0.05 -0.04 -0.01 0.01 0.03 0.08 -0.02 0.02 0.11 -0.00 0.02 0.07 -0.03 0.05 0.00 -0.03 0.05 -0.01 -0.03 0.04 0.03 0.09 -0.12 0.09 0.06 -0.12 0.02 0.15 -0.00 0.08 0.04 -0.08 -0.05 0.03 -0.05 -0.05 0.03 -0.05 -0.05 0.00 -0.00 -0.07 -0.04 0.05 -0.07 0.05 -0.06 -0.04 0.05 -0.00 0.04 0.04 0.03 -0.00 0.06 0.01 0.04 -0.05 0.04 -0.08 0.00 0.03 -0.08 -0.11 0.04 -0.08 -0.03 -0.18 0.17 -0.02 -0.21 0.16 -0.05 -0.10 0.12 -0.25 -0.02 0.22 0.00 -0.01 0.09 0.02 -0.13 0.05 0.08 0.04 0.03 -0.06 0.09 0.00 -0.01 0.16 -0.04 0.00 0.27 -0.02 0.05 -0.04 -0.09 0.09 -0.07 -0.11 0.07 0.08 -0.06 0.05 -0.04 -0.03 0.07 0.04 0.02 0.07 0.04 0.03 -0.03 0.05 0.02 -0.00 -0.02 0.04 -0.05 -0.05 0.00 0.01 -0.05 0.03 -0.07 -0.06 -0.00 0.02 -0.01 -0.19 0.11 -0.06 -0.14 -0.03 0.10 -0.10 -0.08 -0.05 -0.04 -0.04 -0.03 -0.09 -0.06 -0.03 -0.02 0.01 0.00 0.03 0.04 0.04 0.08 0.03 -0.02 -0.07 -0.17 -0.07 -0.13 -0.13 -0.04 -0.14 -0.25 -0.09 -0.07 -0.02 0.09 0.03 -0.01 0.07 0.01 -0.02 0.04 0.03 0.13 0.06 0.03 0.24 0.06 -0.02 0.06 0.01 -0.06 -0.03 0.02 -0.04 -0.02 0.00 -0.02 -0.03 0.01 -0.03 0.09 -0.00 0.27 0.03 0.01 0.18 0.19 0.08 0.30 -0.02 -0.06 0.08 0.00 -0.01 0.14 0.01 -0.12 0.06 0.10 -0.18 0.07 0.03 -0.11 0.00 0.10 0.11 -0.26 -0.02 -0.00 0.06 -0.06 -0.02 -0.02 -0.03 0.07 -0.15 -0.14 0.04 -0.29 -0.08 -0.02 0.29 -0.10 0.11 0.38 -0.12 0.01 0.01 -0.08 -0.06 0.11 -0.01 0.01 0.05 -0.03 0.02 0.03 0.01 -0.02 0.00 0.03 0.01 -0.08 0.12 0.05 0.01 0.10 0.04 -0.02 0.11 0.03 0.02 -0.07 0.04 -0.01 -0.05 -0.01 -0.01 -0.07 0.09 0.01 -0.06 0.04 -0.07 -0.07 0.04 -0.05 -0.02 0.05 -0.09 0.02 -0.08 0.04 -0.02 -0.13 0.05 -0.02 -0.02 0.04 -0.01 0.01 -0.03 0.01 0.03 -0.05 -0.07 -0.03 -0.00 -0.04 0.00 -0.13 -0.06 0.02 -0.10 -0.02 0.01 -0.14 0.07 0.05 0.07 0.13 0.06 0.05 0.04 0.03 0.04 0.01 -0.10 0.06 0.03 -0.10 0.05 -0.01 -0.05 0.02 0.03 -0.07 0.01 0.01 -0.06 -0.06 0.15 -0.04 0.02 -0.05 -0.08 0.12 0.05 -0.10 0.13 0.03 0.01 -0.09 0.18 -0.23 0.08 0.04 0.03 -0.12 0.01 0.07 -0.09 -0.01 -0.04 0.00 -0.04 -0.05 -0.00 0.01 -0.04 -0.03 -0.03 -0.07 -0.08 -0.04 -0.01 0.11 -0.05 0.03 0.13 -0.03 -0.04 0.02 -0.03 0.01 0.07 0.00 -0.01 0.01 -0.02 0.02 0.00 -0.02 -0.01 -0.01 -0.02 0.02 -0.04 0.07 -0.12 -0.15 0.06 -0.08 -0.08 -0.03 -0.08 -0.25 0.19 -0.06 -0.03 0.19 -0.09 -0.03 0.17 -0.08 -0.02 0.06 -0.19 0.13 0.05 -0.13 0.05 -0.01 -0.16 0.26 -0.13 0.30 0.01 -0.03 0.43 0.01 -0.05 0.16 0.00 -0.03 0.04 0.01 -0.01 0.05 0.01 -0.05 0.02 0.01 0.01 0.01 0.00 0.03 -0.03 -0.04 -0.02 0.02 0.01 -0.10 0.03 -0.07 -0.17 0.08 -0.06 -0.06 0.04 -0.03 0.04 -0.00 -0.02 0.00 0.03 -0.04 0.06 -0.06 0.02 -0.06 -0.02 0.11 -0.05 -0.03 0.07 -0.15 0.06 0.14 0.00 -0.00 0.02 0.03 -0.02 0.00 -0.00 0.02 -0.05 0.05 -0.02 0.00 0.02 0.06 -0.06 0.16 -0.04 -0.12 0.01 0.06 -0.00 -0.06 0.09 -0.03 -0.02 0.07 -0.07 -0.07 0.17 -0.13 0.04 -0.10 0.10 0.11 -0.13 0.09 -0.00 -0.01 -0.01 0.05 -0.07 0.22 0.01 0.06 -0.04 0.00 0.06 -0.15 -0.01 -0.01 0.01 0.02 -0.07 0.00 -0.09 -0.04 0.05 -0.05 -0.03 0.08 -0.07 -0.03 0.05 0.01 -0.01 0.06 -0.03 0.03 0.04 0.04 0.01 0.03 0.01 -0.02 0.01 -0.01 -0.02 0.02 -0.04 -0.03 0.04 0.00 -0.02 -0.05 0.01 0.01 -0.14 0.01 -0.05 -0.01 0.06 -0.03 0.07 0.02 -0.05 0.04 0.11 0.04 0.05 0.03 0.06 0.28 0.07 0.04 0.21 -0.02 0.08 0.30 -0.00 0.02 -0.02 -0.02 -0.05 0.02 0.03 0.01 0.01 -0.10 0.14 -0.24 -0.09 0.11 -0.18 -0.07 0.07 -0.17 -0.04 -0.01 -0.10 -0.01 -0.03 0.09 -0.14 -0.18 -0.16 -0.06 -0.06 0.04 0.02 -0.07 0.05 0.14 0.01 -0.06 -0.16 -0.06 0.09 0.11 -0.06 -0.17 -0.01 0.01 -0.02 0.02 -0.06 0.14 -0.05 0.89 -0.20 0.01 0.01 0.02 0.02 0.01 0.04 -0.01 -0.01 -0.01 0.00 0.01 0.01 0.02 0.01 0.00 0.00 0.00 -0.00 0.02 -0.02 -0.01 -0.03 0.02 -0.24 -0.02 -0.05 0.04 -0.10 -0.08 0.21 0.01 0.01 -0.01 0.06 0.02 0.02 -0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.01 0.03 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.02 0.00 -0.01 -0.03 0.02 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.02 0.00 0.01 0.01 0.01 0.01 0.02 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 0.01 -0.01 0.01 0.02 0.00 -0.01 -0.00 -0.02 -0.02 0.01 0.01 0.01 0.01 -0.02 0.21 -0.00 0.06 -0.09 0.08 0.03 -0.01 0.05 -0.08 0.00 -0.05 -0.04 0.01 -0.12 -0.03 -0.01 0.06 -0.00 0.04 0.04 0.00 -0.04 -0.00 -0.04 -0.04 0.02 0.02 -0.04 0.14 0.04 -0.08 0.21 0.19 -0.01 -0.10 -0.04 -0.03 -0.12 -0.01 -0.03 -0.05 0.02 -0.05 -0.03 0.05 0.01 -0.02 0.02 0.00 -0.02 -0.01 0.01 -0.02 -0.00 -0.00 -0.03 -0.01 -0.18 -0.07 -0.06 -0.04 -0.03 -0.18 -0.13 -0.05 -0.06 0.03 -0.02 0.03 0.05 0.00 0.02 0.04 -0.03 0.03 -0.06 0.04 0.05 -0.03 0.06 0.03 -0.03 0.06 0.03 0.03 -0.09 -0.07 0.02 -0.09 -0.02 0.06 0.02 -0.06 -0.05 -0.12 -0.10 -0.03 -0.31 -0.02 -0.03 -0.08 -0.09 0.17 0.24 0.10 0.10 0.31 0.05 0.19 0.17 0.08 0.02 0.06 0.01 0.03 0.06 -0.08 0.01 0.15 0.05 -0.11 -0.02 -0.01 -0.07 -0.02 -0.00 0.23 0.03 0.01 -0.05 -0.09 -0.01 0.24 -0.01 0.07 -0.00 -0.05 0.01 0.01 -0.02 0.01 -0.01 -0.25 0.06 0.10 0.09 0.08 0.10 0.18 0.09 -0.02 -0.17 -0.07 -0.06 -0.09 -0.03 0.17 0.05 0.06 0.02 -0.13 -0.13 0.01 -0.03 0.04 0.02 -0.04 0.13 -0.01 0.04 -0.01 0.03 0.03 -0.06 0.17 0.03 -0.04 0.14 0.01 -0.08 0.07 -0.00 -0.05 -0.00 0.01 0.04 -0.08 -0.02 -0.01 0.05 -0.04 -0.03 -0.11 -0.01 -0.01 -0.04 -0.01 -0.04 -0.08 -0.01 -0.03 -0.00 -0.00 0.03 0.00 -0.00 0.06 0.00 -0.01 0.06 0.04 -0.03 0.11 0.06 -0.03 0.14 -0.02 -0.13 0.12 -0.21 0.26 -0.04 -0.21 0.17 0.02 -0.10 0.19 -0.07 0.02 -0.04 -0.09 -0.07 0.02 -0.08 0.07 -0.03 -0.05 0.11 0.07 0.02 0.10 0.09 0.00 0.12 0.06 0.03 -0.10 -0.17 -0.05 -0.21 -0.16 -0.01 0.03 -0.23 -0.07 -0.00 0.03 -0.03 0.06 0.08 0.05 0.03 -0.03 -0.05 -0.06 -0.07 0.03 0.04 -0.02 -0.01 0.10 0.11 0.12 -0.23 0.10 0.03 0.21 0.01 -0.06 0.00 0.04 0.02 0.04 0.08 0.07 0.01 -0.02 -0.07 0.03 0.06 -0.01 0.05 0.04 -0.03 0.02 -0.01 -0.09 -0.16 0.20 0.06 -0.28 0.30 -0.33 0.12 -0.16 -0.05 0.04 -0.11 0.03 0.04 -0.06 0.03 0.08 -0.01 0.13 -0.01 -0.00 -0.06 0.01 0.02 0.00 -0.01 0.03 -0.01 0.02 -0.03 -0.02 0.12 -0.06 -0.06 -0.03 -0.06 0.01 0.12 -0.04 -0.03 -0.03 0.02 -0.02 -0.02 -0.00 0.13 -0.03 0.02 -0.02 0.04 -0.02 -0.03 0.02 -0.03 -0.02 0.00 -0.05 -0.01 -0.06 0.06 -0.01 -0.06 0.03 -0.01 -0.04 -0.01 -0.02 0.02 0.03 0.04 -0.02 0.23 -0.03 0.01 -0.00 0.03 -0.10 -0.13 0.00 -0.11 -0.16 0.05 -0.12 -0.15 -0.03 -0.01 -0.03 0.00 -0.05 -0.03 0.02 0.05 -0.07 -0.02 -0.08 -0.03 -0.02 -0.06 -0.01 0.01 0.12 0.21 0.09 -0.13 -0.06 0.01 0.01 0.07 0.10 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.03 0.01 0.02 -0.02 -0.00 0.02 -0.08 -0.00 -0.02 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 -0.03 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.09 0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 -0.01 0.02 0.04 -0.03 0.02 -0.03 0.01 0.01 -0.00 -0.16 0.21 -0.09 0.14 -0.18 -0.20 0.01 0.00 0.00 -0.01 -0.02 0.03 0.02 -0.01 -0.04 -0.01 -0.01 -0.02 -0.00 -0.04 0.16 -0.01 -0.00 -0.01 -0.07 0.02 0.10 -0.03 0.05 0.08 -0.15 -0.04 0.14 0.02 -0.04 -0.00 0.02 -0.02 -0.00 0.01 -0.02 0.00 0.10 -0.03 -0.06 -0.16 0.54 -0.19 0.13 -0.02 -0.04 -0.02 0.01 -0.02 0.02 -0.06 0.06 -0.02 -0.00 -0.00 -0.05 0.04 0.01 -0.03 0.03 0.03 0.51 -0.18 -0.10 0.00 0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.07 -0.03 -0.02 -0.02 -0.01 -0.01 0.06 0.02 0.02 0.01 -0.01 -0.04 -0.06 0.16 -0.05 0.02 0.02 0.01 0.02 0.02 0.02 -0.02 -0.01 -0.02 0.00 0.01 0.00 0.02 0.02 0.00 -0.02 -0.00 0.00 0.01 -0.02 -0.07 0.08 -0.03 0.65 -0.04 -0.02 -0.00 -0.05 -0.04 0.02 0.02 -0.01 0.00 -0.10 -0.06 -0.15 0.11 -0.06 0.12 -0.01 -0.00 -0.00 -0.03 0.02 -0.02 0.01 -0.03 -0.03 0.05 0.02 0.01 0.14 0.10 -0.16 -0.04 0.06 0.17 0.00 0.01 0.04 -0.03 0.08 -0.53 -0.00 0.01 0.03 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.02 -0.02 0.01 -0.02 -0.00 -0.01 -0.01 -0.04 -0.02 -0.03 -0.00 -0.01 0.01 -0.01 0.00 -0.03 0.12 -0.03 0.01 -0.01 0.00 -0.06 -0.01 0.02 -0.03 -0.03 0.02 -0.07 0.03 0.02 -0.00 0.01 0.00 -0.01 0.02 -0.01 0.11 -0.01 -0.01 -0.02 -0.01 -0.01 -0.00 0.02 0.02 0.07 0.07 0.01 -0.03 -0.05 0.01 0.02 -0.01 0.02 -0.10 -0.01 -0.05 -0.07 0.09 0.02 0.16 0.08 0.01 0.04 -0.00 0.02 0.02 0.01 -0.01 -0.04 -0.02 0.01 -0.06 -0.02 -0.00 0.03 0.00 0.03 -0.03 -0.00 0.00 -0.07 0.08 0.00 -0.05 0.06 0.13 0.13 -0.02 0.02 0.09 0.02 0.05 -0.01 0.01 0.03 -0.05 -0.03 -0.06 0.04 -0.05 0.12 0.22 0.08 -0.01 0.25 -0.00 0.00 0.19 0.15 0.03 -0.05 0.03 -0.04 -0.05 0.05 -0.08 -0.17 0.02 0.09 -0.14 -0.18 0.04 -0.17 -0.10 -0.52 -0.15 -0.17 0.02 -0.05 0.01 0.06 -0.03 0.02 0.06 0.01 0.04 0.03 0.01 -0.03 0.03 0.02 -0.02 0.03 0.03 -0.04 0.02 0.01 0.05 -0.07 0.07 -0.17 -0.00 0.03 0.04 -0.06 0.05 -0.05 -0.03 0.05 0.00 -0.11 0.04 0.02 -0.06 -0.01 0.02 0.02 -0.01 0.02 0.03 -0.24 0.09 0.06 0.03 0.02 -0.00 0.05 0.00 -0.01 -0.11 -0.05 -0.04 0.01 0.04 0.00 -0.08 0.00 -0.04 0.14 0.05 0.08 0.09 -0.12 -0.03 -0.22 -0.10 -0.02 -0.03 -0.02 -0.02 -0.02 0.00 -0.00 0.05 0.02 -0.01 0.07 0.06 0.02 -0.03 -0.00 -0.05 0.04 0.00 -0.04 0.09 -0.11 -0.01 0.07 -0.09 -0.11 -0.18 0.01 -0.03 -0.14 -0.03 -0.07 0.02 0.06 0.02 0.08 0.05 0.03 -0.13 0.04 -0.05 0.20 0.08 0.00 0.21 0.04 0.01 0.17 0.00 -0.00 0.05 0.06 0.00 0.08 -0.02 0.10 0.07 -0.00 -0.15 -0.13 -0.14 -0.06 -0.12 -0.23 0.50 -0.15 -0.12 -0.07 0.01 0.01 -0.02 -0.01 -0.01 -0.02 0.02 0.01 -0.02 -0.02 0.02 -0.03 -0.04 0.07 -0.01 -0.01 0.01 -0.03 -0.05 -0.01 -0.01 -0.10 0.10 -0.03 -0.04 -0.02 0.00 -0.06 0.01 0.03 -0.07 0.01 0.03 -0.06 0.01 0.03 -0.02 -0.02 0.03 -0.03 -0.02 0.03 -0.18 0.04 0.06 -0.06 -0.02 -0.00 -0.06 -0.03 -0.01 0.15 0.11 0.07 -0.02 -0.03 -0.01 0.10 0.02 0.09 -0.04 0.02 0.05 -0.01 -0.01 0.02 0.02 0.16 -0.04 -0.17 -0.14 -0.11 -0.13 -0.10 -0.04 0.26 0.10 0.03 0.20 0.09 0.02 -0.15 -0.14 -0.17 0.25 0.07 -0.04 0.00 0.01 -0.00 -0.00 0.03 0.09 0.00 -0.02 -0.00 -0.03 -0.01 0.05 -0.02 -0.01 -0.01 -0.00 -0.03 -0.05 0.05 -0.04 0.06 0.00 0.00 0.01 -0.05 0.04 -0.03 0.05 -0.02 -0.04 -0.06 -0.00 -0.00 -0.05 0.04 -0.06 -0.11 0.02 0.10 0.00 -0.01 0.04 -0.01 0.06 -0.40 0.00 -0.01 0.04 0.01 0.04 0.01 -0.07 -0.01 0.01 -0.08 -0.01 0.06 -0.03 0.14 0.01 -0.02 0.08 0.00 -0.01 0.08 -0.00 0.00 0.00 0.01 -0.11 0.13 0.00 0.03 0.04 0.04 0.07 -0.04 -0.03 0.08 -0.06 -0.01 0.07 -0.01 -0.04 -0.04 -0.08 0.00 -0.08 -0.07 0.04 0.25 -0.19 -0.05 0.01 -0.02 0.03 -0.13 -0.14 -0.14 -0.09 -0.05 0.15 0.11 0.20 -0.11 -0.03 0.03 0.03 -0.03 -0.06 -0.04 -0.01 0.03 0.02 0.05 0.01 0.01 -0.01 0.05 0.01 0.01 -0.06 0.03 -0.02 -0.01 0.01 -0.02 -0.04 -0.02 -0.01 0.03 0.04 -0.02 -0.01 0.02 -0.02 0.02 0.01 -0.02 0.01 -0.07 0.05 0.01 0.01 0.06 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.03 0.05 0.03 0.01 -0.01 0.08 -0.02 0.06 -0.20 -0.08 -0.01 0.00 -0.01 -0.03 0.00 0.00 -0.05 -0.00 0.02 -0.02 -0.03 0.02 -0.04 -0.02 -0.17 -0.03 -0.02 0.00 0.10 -0.02 -0.15 0.11 -0.02 -0.14 0.03 -0.09 -0.11 0.01 0.00 -0.02 0.01 -0.01 0.00 0.03 0.08 -0.01 -0.12 -0.10 0.11 -0.41 0.64 -0.08 -0.11 -0.07 0.13 0.02 0.10 0.01 0.02 -0.02 0.20 0.01 0.05 -0.02 -0.01 -0.01 0.03 -0.01 -0.01 0.01 0.17 -0.05 0.01 0.02 0.01 0.00 -0.01 0.07 0.07 -0.03 -0.07 -0.04 0.04 -0.08 0.03 -0.01 -0.04 -0.05 -0.04 -0.05 -0.03 -0.03 0.05 -0.04 0.08 0.18 -0.02 -0.02 -0.02 -0.01 -0.03 0.01 -0.02 0.04 0.00 0.01 0.03 -0.02 -0.01 -0.02 -0.02 -0.01 0.03 -0.01 0.01 -0.04 0.03 -0.06 0.04 0.01 0.62 0.06 -0.01 0.02 0.04 -0.02 0.07 0.05 -0.00 0.04 -0.12 -0.00 -0.03 -0.10 0.01 -0.07 0.01 0.00 0.00 0.02 0.01 0.01 -0.00 -0.02 0.01 -0.00 -0.01 0.03 0.12 0.02 -0.08 0.13 0.01 -0.07 -0.01 0.00 -0.06 0.02 -0.09 0.64 -0.01 0.01 -0.07 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.04 -0.00 -0.01 -0.05 -0.01 0.03 -0.03 0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.02 0.01 -0.01 0.00 -0.00 -0.04 0.03 -0.00 -0.01 0.02 -0.01 -0.01 0.01 0.05 0.01 0.00 0.00 -0.02 0.01 -0.01 -0.05 0.04 0.02 0.02 0.00 0.01 0.00 -0.02 -0.02 -0.05 -0.05 -0.00 0.04 0.04 -0.01 -0.03 -0.04 -0.05 -0.01 0.15 0.06 0.03 0.01 -0.05 -0.05 0.05 -0.03 0.03 0.05 0.03 0.05 0.03 0.05 -0.08 -0.01 -0.02 -0.09 0.07 0.03 0.04 0.05 0.02 -0.05 0.02 -0.05 0.02 0.01 -0.04 0.09 -0.01 0.47 -0.06 -0.04 -0.02 -0.09 0.02 -0.01 -0.05 -0.01 0.02 -0.14 -0.02 -0.03 -0.12 -0.01 -0.02 -0.01 0.00 0.01 -0.04 0.06 -0.01 0.02 -0.04 -0.03 -0.17 -0.01 0.05 -0.07 0.04 -0.07 -0.01 0.03 -0.02 0.01 -0.01 -0.03 0.03 -0.06 0.35 0.01 -0.01 -0.04 0.04 -0.02 -0.05 0.05 -0.02 -0.04 0.01 -0.05 -0.04 0.11 0.01 0.05 0.11 0.02 0.08 0.16 -0.05 0.03 -0.01 0.03 0.06 -0.14 0.21 0.03 0.01 0.07 0.09 0.18 -0.14 -0.15 0.17 -0.15 -0.11 0.20 -0.13 -0.12 -0.02 -0.02 0.00 0.02 -0.04 0.05 0.09 -0.12 -0.04 -0.02 -0.01 -0.02 0.01 0.01 0.01 0.02 0.13 0.01 -0.10 -0.01 0.03 0.03 0.17 0.06 -0.00 0.02 0.01 0.00 -0.01 -0.00 -0.01 -0.06 0.01 -0.00 0.01 0.00 0.02 -0.00 0.03 0.03 -0.02 -0.01 0.06 -0.04 -0.01 0.01 0.01 -0.01 -0.01 -0.05 0.03 0.00 -0.01 0.01 -0.00 -0.01 -0.06 -0.01 0.00 -0.01 -0.01 0.02 -0.02 0.09 0.02 -0.00 0.05 0.02 -0.01 0.05 0.03 -0.03 0.03 -0.03 -0.00 -0.03 0.20 -0.03 0.10 0.05 -0.04 -0.02 0.00 -0.00 -0.02 -0.01 0.01 -0.03 -0.01 -0.00 -0.01 -0.00 0.01 0.02 0.04 -0.01 0.01 -0.04 0.00 0.03 -0.01 -0.06 -0.00 -0.02 -0.07 -0.09 -0.07 0.02 -0.13 -0.10 0.05 -0.14 -0.07 0.05 -0.11 -0.10 0.05 -0.05 0.03 0.03 0.01 -0.43 0.20 0.02 0.04 0.11 0.03 -0.01 -0.03 -0.00 0.07 -0.14 0.04 0.00 -0.01 -0.02 0.11 0.01 -0.05 0.13 0.05 0.67 -0.16 -0.13 -0.00 -0.00 -0.00 -0.02 -0.00 -0.01 -0.01 0.00 0.02 -0.04 0.03 0.00 0.01 0.04 -0.02 0.00 -0.03 -0.02 -0.01 0.01 -0.01 0.01 0.06 -0.01 0.00 0.02 0.01 0.01 -0.01 0.01 -0.04 0.01 0.00 -0.07 0.02 0.00 0.00 0.01 0.02 -0.01 0.04 -0.02 -0.01 0.01 -0.01 -0.00 0.01 0.05 0.01 0.00 0.01 0.01 -0.01 0.02 -0.08 -0.02 0.01 -0.06 -0.01 0.04 -0.08 -0.01 -0.00 0.03 -0.02 0.01 -0.03 0.07 -0.02 0.08 0.11 0.01 0.03 0.00 -0.00 0.05 -0.00 -0.01 0.03 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.01 0.07 0.01 -0.04 -0.00 0.03 -0.00 -0.02 0.03 -0.00 -0.02 -0.12 -0.12 0.07 0.14 0.09 -0.06 0.15 0.07 -0.06 0.11 0.06 -0.05 -0.04 0.03 -0.01 0.09 -0.54 0.18 0.03 0.01 0.06 -0.04 0.01 0.08 -0.08 0.09 -0.03 -0.06 0.02 0.04 -0.09 -0.06 0.01 -0.04 -0.08 -0.01 0.59 -0.25 -0.09 0.01 0.00 -0.00 0.01 0.03 0.03 0.02 -0.03 -0.05 -0.04 -0.03 0.03 0.00 -0.05 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.05 0.04 -0.28 0.78 -0.31 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.03 -0.05 0.02 -0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -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 -0.03 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.02 -0.02 -0.18 -0.13 0.11 -0.02 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.04 0.02 0.00 -0.00 0.05 0.01 0.00 0.00 0.01 0.02 -0.01 0.02 0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.05 -0.00 -0.00 -0.02 0.01 0.01 0.26 -0.18 -0.14 0.01 0.04 -0.01 0.03 0.08 -0.05 -0.01 -0.01 -0.01 0.02 0.00 -0.02 -0.01 -0.02 -0.03 0.07 -0.01 0.02 0.02 0.03 0.02 0.14 -0.00 0.18 -0.03 -0.01 -0.00 0.08 0.01 0.05 0.06 0.11 -0.11 -0.06 -0.05 0.05 0.00 -0.00 0.00 -0.02 0.02 0.00 -0.00 0.00 -0.00 -0.04 0.02 0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.03 0.00 0.03 -0.00 -0.04 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -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 -0.03 0.02 0.03 0.01 -0.02 -0.02 0.02 -0.28 -0.35 -0.38 -0.10 -0.15 0.24 0.27 0.52 -0.33 0.02 0.01 -0.03 0.01 -0.01 -0.01 -0.15 -0.24 -0.22 0.62 -0.02 0.20 0.00 -0.00 -0.00 -0.03 -0.02 -0.05 0.00 0.00 0.00 -0.00 -0.05 -0.04 -0.02 -0.01 0.04 -0.01 -0.00 0.02 0.02 -0.02 0.02 -0.20 0.24 0.05 -0.03 0.02 -0.03 -0.30 0.05 0.42 -0.01 0.00 -0.00 0.08 0.01 0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.13 -0.02 -0.03 -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.03 -0.02 -0.02 -0.00 0.00 0.00 0.00 -0.02 0.00 0.01 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.03 -0.00 0.02 0.02 0.00 0.00 0.00 0.01 -0.00 0.03 -0.03 -0.03 -0.01 0.00 0.00 -0.00 0.04 0.04 0.04 0.01 -0.03 -0.02 -0.04 -0.06 0.04 0.06 0.03 -0.05 0.00 0.01 0.00 0.10 0.20 -0.09 0.15 0.00 0.05 0.00 0.00 0.00 -0.07 -0.07 -0.10 0.01 -0.00 -0.01 0.07 -0.11 -0.06 -0.07 0.03 0.08 -0.03 -0.02 0.11 -0.01 0.01 0.01 0.18 -0.21 -0.04 -0.02 -0.01 -0.01 -0.07 -0.05 0.13 0.00 -0.00 -0.00 -0.15 0.04 0.02 0.08 0.06 -0.04 0.01 0.01 -0.00 0.06 -0.23 0.03 -0.07 0.04 0.08 0.00 -0.00 -0.00 -0.08 -0.02 0.07 0.06 0.00 -0.05 0.01 0.00 0.00 -0.12 -0.15 -0.02 -0.08 0.13 0.04 0.01 0.01 0.00 0.10 0.04 0.07 -0.11 -0.21 0.03 -0.00 0.00 0.02 0.01 -0.11 0.06 0.02 0.14 0.04 -0.00 0.00 -0.01 0.03 0.02 -0.03 -0.01 -0.01 -0.02 0.00 -0.01 -0.00 -0.02 -0.03 0.05 -0.00 -0.05 -0.02 -0.02 -0.02 -0.01 -0.06 0.02 -0.40 0.25 0.42 0.15 -0.00 0.00 -0.00 0.04 -0.00 0.00 -0.01 0.05 0.02 -0.02 -0.02 0.01 -0.01 0.03 -0.08 -0.00 0.00 0.01 -0.20 -0.39 0.15 -0.25 -0.01 -0.07 0.00 0.00 0.00 -0.03 -0.03 -0.03 0.00 -0.00 -0.00 0.05 -0.05 -0.02 -0.03 0.01 0.03 -0.02 -0.02 0.07 0.02 -0.02 -0.01 -0.35 0.41 0.05 0.03 0.01 0.01 0.11 0.10 -0.21 -0.02 0.01 -0.00 0.19 -0.02 0.02 0.04 -0.03 0.07 0.01 0.00 0.00 0.02 -0.14 0.01 -0.03 -0.02 0.03 -0.01 -0.00 0.01 0.14 0.03 -0.11 0.06 0.02 -0.03 0.01 0.01 -0.00 -0.12 -0.17 0.00 -0.08 0.14 0.02 0.00 0.00 -0.00 0.04 0.01 0.03 -0.07 -0.11 0.03 0.00 -0.01 0.02 0.00 0.01 -0.01 -0.03 0.04 0.03 0.00 0.00 -0.01 -0.07 -0.00 0.03 0.04 0.04 0.04 -0.00 -0.01 -0.01 0.03 -0.01 -0.03 0.02 0.01 0.05 -0.01 -0.01 -0.01 -0.01 0.00 -0.21 0.11 0.23 0.08 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.04 -0.07 0.04 -0.05 0.01 -0.02 0.01 0.01 0.01 -0.16 -0.15 -0.22 0.01 -0.00 -0.01 0.00 -0.06 -0.05 -0.16 0.07 0.18 -0.03 -0.06 -0.03 0.00 -0.00 -0.00 -0.06 0.08 0.02 0.00 0.00 0.00 0.02 -0.00 -0.03 0.01 0.01 0.00 0.05 -0.01 -0.01 -0.20 -0.03 -0.07 -0.01 0.01 -0.00 0.08 0.02 0.05 -0.06 0.12 0.09 0.01 0.01 -0.00 0.02 0.01 -0.02 -0.15 -0.02 0.11 -0.02 -0.02 -0.00 0.32 0.42 0.05 0.22 -0.35 -0.09 -0.00 0.00 0.01 0.17 0.08 0.08 0.02 -0.14 -0.06 0.00 -0.01 0.00 -0.03 0.04 0.08 0.07 0.03 0.00 -0.01 -0.01 0.01 0.19 0.08 -0.11 -0.11 -0.08 -0.11 0.00 -0.00 -0.00 0.01 -0.05 0.08 -0.02 0.02 -0.06 -0.01 -0.00 -0.00 -0.03 0.01 -0.08 0.09 0.07 0.02 -0.01 -0.00 0.00 0.09 -0.08 -0.06 -0.00 0.04 0.01 0.01 0.04 -0.02 -0.03 -0.00 -0.02 -0.00 -0.00 -0.01 -0.01 -0.02 -0.03 0.02 -0.01 0.01 -0.01 -0.02 -0.02 0.22 0.23 0.31 -0.01 0.00 0.01 0.01 0.11 0.09 0.21 -0.09 -0.27 0.02 0.05 0.01 -0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 0.00 0.00 -0.01 0.03 -0.00 0.01 0.00 0.00 -0.02 0.03 0.04 -0.11 0.03 -0.09 -0.01 0.02 0.01 -0.04 -0.11 -0.02 0.02 0.03 -0.02 0.01 0.01 -0.00 0.06 -0.05 0.05 -0.14 -0.07 0.01 -0.01 -0.02 -0.00 0.22 0.28 0.02 0.15 -0.24 0.00 0.01 0.01 -0.01 -0.18 -0.10 -0.03 -0.12 0.01 0.10 0.00 -0.01 0.01 -0.01 -0.03 0.06 0.05 0.03 0.01 0.01 -0.01 -0.01 -0.22 -0.00 0.08 0.12 0.08 0.11 -0.00 -0.01 0.00 0.01 0.01 -0.05 -0.02 0.06 -0.02 0.00 -0.02 -0.01 -0.00 -0.00 -0.24 0.04 0.28 0.11 0.01 0.00 -0.00 -0.12 0.12 0.10 0.00 -0.04 -0.02 -0.03 -0.08 0.05 0.01 -0.02 0.04 -0.00 -0.00 -0.00 -0.03 -0.05 0.00 0.03 -0.02 0.01 -0.01 -0.02 -0.02 0.16 0.19 0.22 -0.01 0.00 0.01 0.03 0.05 0.05 0.16 -0.07 -0.20 0.00 0.03 0.04 0.01 -0.00 0.00 -0.04 0.05 0.01 0.00 0.00 -0.00 -0.02 0.04 0.00 -0.00 0.00 -0.00 0.03 -0.02 -0.03 0.00 -0.03 0.03 0.01 -0.01 -0.01 0.18 -0.07 0.09 -0.14 0.11 0.18 -0.01 -0.00 0.00 -0.06 0.06 -0.06 0.07 0.06 0.05 0.00 0.00 0.00 -0.05 -0.06 0.02 -0.04 0.06 -0.06 0.02 0.02 0.02 -0.12 -0.07 0.04 0.10 0.10 -0.03 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.04 0.00 -0.03 -0.01 0.02 0.47 0.14 -0.25 -0.28 -0.17 -0.27 0.01 0.01 -0.02 -0.05 -0.07 0.16 0.00 -0.08 -0.05 -0.02 0.01 0.00 -0.00 -0.00 -0.01 0.22 -0.07 -0.04 0.01 0.00 -0.00 -0.08 0.09 0.07 -0.00 -0.05 -0.01 -0.03 -0.06 0.04 0.04 0.01 0.01 0.00 0.00 0.00 -0.03 -0.04 -0.06 -0.10 0.03 -0.03 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.04 -0.04 -0.02 -0.00 -0.00 0.01 -0.01 0.01 0.07 -0.00 -0.00 -0.02 -0.03 0.05 0.15 0.01 -0.00 0.01 0.04 0.01 -0.06 -0.00 -0.02 -0.00 -0.09 0.23 0.43 0.10 0.32 -0.34 0.00 -0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.06 0.01 -0.00 0.01 0.00 0.17 -0.25 0.29 -0.13 -0.23 -0.33 0.00 -0.00 0.02 -0.02 0.00 -0.14 -0.00 -0.00 0.12 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.06 0.05 -0.03 -0.00 0.01 -0.00 0.03 -0.09 -0.05 -0.04 0.01 -0.00 -0.01 -0.00 0.01 0.11 0.04 -0.06 -0.07 -0.03 -0.06 0.00 -0.01 -0.00 0.06 -0.04 0.01 -0.00 0.08 0.00 -0.00 0.00 0.00 0.01 -0.00 0.06 0.00 -0.09 -0.03 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.04 0.02 -0.00 0.01 -0.00 -0.04 -0.01 -0.02 -0.00 0.01 0.00 0.01 0.02 0.03 -0.03 -0.01 -0.01 0.00 -0.01 -0.00 0.04 0.03 0.05 -0.01 0.01 -0.00 0.40 -0.40 -0.17 0.03 0.01 -0.05 -0.17 -0.07 0.56 -0.00 -0.00 0.00 0.02 -0.02 -0.02 -0.00 -0.00 -0.00 0.02 -0.03 -0.00 -0.00 0.00 0.01 0.02 -0.02 -0.03 -0.01 -0.03 0.04 -0.00 0.00 0.00 -0.04 0.06 -0.02 0.04 -0.00 -0.04 -0.00 -0.00 -0.00 -0.03 0.04 -0.05 -0.00 0.04 0.07 -0.01 -0.00 -0.00 0.06 0.07 0.04 0.04 -0.07 -0.01 -0.00 -0.00 0.00 -0.06 -0.02 -0.06 0.03 0.11 0.01 0.01 0.01 -0.02 0.03 0.00 -0.15 -0.17 0.11 0.00 -0.00 0.00 -0.00 -0.01 -0.03 0.02 0.01 0.00 0.02 0.01 -0.01 0.01 0.06 -0.04 0.02 0.03 -0.02 0.07 -0.00 -0.01 0.01 0.05 -0.02 0.04 -0.06 -0.07 -0.01 0.01 -0.00 -0.01 -0.03 0.06 0.05 -0.06 0.15 0.14 -0.05 -0.04 0.03 -0.08 0.08 -0.26 -0.01 0.00 0.00 -0.00 -0.03 0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.04 -0.00 -0.06 0.00 -0.00 -0.00 -0.02 -0.01 -0.02 -0.02 -0.01 0.05 0.01 0.02 0.01 0.01 -0.02 -0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.03 0.10 -0.03 0.00 -0.01 -0.00 -0.06 0.19 0.36 0.04 0.26 -0.30 -0.00 -0.00 0.01 -0.15 -0.03 -0.08 0.13 0.06 -0.10 0.00 -0.01 -0.00 -0.18 0.27 -0.31 0.12 0.24 0.36 -0.00 -0.02 -0.01 0.01 0.00 0.00 0.00 -0.03 0.07 0.00 -0.00 -0.00 -0.04 0.01 -0.12 -0.02 0.12 0.06 -0.01 0.01 0.00 0.01 -0.08 -0.01 -0.00 0.03 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.03 -0.09 0.02 0.00 0.01 -0.00 -0.16 0.05 0.05 0.01 -0.16 -0.04 0.01 -0.01 0.00 0.03 -0.01 -0.03 -0.04 0.04 0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.18 -0.03 0.00 0.01 -0.01 0.15 0.06 0.06 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.00 0.02 -0.06 -0.04 -0.09 0.00 0.00 -0.00 -0.03 -0.02 -0.03 -0.03 -0.01 0.09 -0.01 -0.02 -0.03 0.00 0.01 -0.00 -0.00 0.02 0.04 0.00 -0.00 -0.00 -0.01 0.03 -0.01 -0.00 0.01 -0.00 0.05 -0.10 -0.19 -0.03 -0.14 0.16 0.00 0.00 0.01 -0.28 -0.23 -0.17 0.23 0.18 -0.14 0.00 0.01 0.00 0.00 -0.11 0.17 -0.05 -0.09 -0.14 -0.00 0.01 -0.02 -0.00 0.00 0.01 0.01 -0.02 0.21 0.01 -0.01 0.00 -0.15 0.01 -0.36 -0.04 0.39 0.16 -0.01 -0.00 0.00 -0.04 0.07 0.05 0.04 0.03 0.00 -0.02 0.00 0.01 0.12 0.02 -0.06 -0.01 -0.22 -0.01 0.01 -0.00 -0.00 -0.10 0.00 0.08 -0.02 -0.05 -0.09 -0.00 -0.01 0.00 0.14 -0.05 -0.09 0.06 0.07 0.03 -0.00 -0.00 0.00 0.04 -0.04 -0.04 0.00 -0.06 -0.01 0.02 0.04 -0.02 0.06 0.03 0.01 0.01 -0.02 -0.00 -0.00 -0.01 0.03 0.03 -0.03 0.02 -0.00 0.01 0.00 0.04 -0.07 0.04 -0.00 0.00 0.00 -0.14 0.06 0.01 0.02 -0.04 0.02 0.06 0.04 -0.14 -0.00 -0.01 0.00 -0.02 0.01 -0.06 -0.01 0.02 -0.00 0.08 -0.30 0.11 0.00 -0.00 -0.00 0.00 0.05 0.09 -0.01 0.06 -0.08 0.00 0.01 -0.00 0.05 -0.11 0.02 -0.07 -0.05 0.04 -0.00 -0.01 0.00 0.06 0.10 -0.19 -0.02 0.06 0.15 0.00 -0.00 -0.00 -0.01 -0.03 0.03 -0.01 0.03 -0.02 0.01 -0.01 0.00 -0.13 -0.02 -0.20 -0.02 0.24 0.10 -0.00 -0.00 0.01 -0.01 -0.00 0.03 0.03 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.02 0.01 0.00 0.00 -0.00 0.23 -0.12 0.02 0.01 0.17 0.07 -0.01 -0.00 -0.00 0.05 -0.02 -0.03 0.08 0.01 0.00 -0.00 -0.01 0.01 0.09 -0.10 -0.07 0.01 0.50 0.04 0.05 0.04 -0.04 -0.37 -0.16 -0.14 -0.00 0.01 0.00 0.01 0.03 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.01 -0.07 -0.06 -0.10 0.00 0.00 -0.00 0.01 -0.07 -0.05 -0.04 -0.01 0.10 -0.01 -0.01 0.03 -0.00 0.00 -0.00 0.03 -0.03 0.03 0.00 -0.01 0.00 -0.03 0.10 -0.04 0.00 0.00 0.00 0.03 0.01 0.03 -0.08 0.01 -0.05 -0.00 0.01 -0.01 0.39 -0.17 0.22 -0.35 -0.01 0.32 -0.00 -0.00 -0.00 -0.02 -0.02 0.04 0.06 -0.00 -0.07 0.00 -0.00 0.02 0.02 0.04 -0.04 0.00 0.01 -0.20 0.00 -0.02 0.00 -0.15 -0.02 -0.27 -0.06 0.29 0.15 -0.00 0.00 -0.00 -0.01 0.06 -0.04 -0.04 -0.05 -0.00 0.02 -0.00 -0.02 -0.23 0.10 0.04 0.13 0.02 0.10 -0.01 -0.00 0.00 -0.05 0.07 -0.08 0.01 -0.05 0.04 -0.01 0.01 -0.01 0.07 -0.02 0.04 0.13 -0.10 -0.06 -0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.00 -0.17 -0.01 0.01 0.03 -0.02 0.14 0.06 0.05 0.00 -0.00 -0.00 0.02 0.04 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.03 0.02 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 0.03 -0.05 -0.03 -0.00 0.00 -0.00 0.01 -0.04 0.02 -0.00 -0.00 0.00 0.04 -0.01 0.01 0.08 -0.00 0.05 0.00 -0.00 0.00 -0.05 -0.50 -0.05 0.06 0.51 0.13 0.00 -0.00 -0.00 0.05 0.05 -0.10 -0.05 0.02 0.09 -0.00 0.00 -0.02 0.01 -0.01 0.09 0.01 -0.04 0.22 -0.01 0.00 -0.01 0.07 -0.01 0.18 0.10 -0.12 -0.13 0.00 0.01 0.00 0.03 0.06 -0.17 -0.16 -0.14 0.00 0.01 -0.03 0.00 -0.14 0.16 -0.02 -0.01 0.12 0.01 0.00 -0.01 0.01 0.04 0.10 -0.20 0.02 0.09 0.09 -0.01 0.03 0.00 0.15 -0.03 0.09 0.07 -0.16 -0.08 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.03 -0.03 0.03 0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.02 0.01 -0.01 -0.00 0.02 -0.00 -0.00 -0.06 -0.00 -0.00 -0.02 -0.01 -0.24 -0.04 -0.09 0.06 -0.19 0.11 0.26 0.38 0.14 0.00 0.00 0.01 -0.01 0.01 -0.08 0.00 -0.00 0.00 -0.01 0.07 -0.03 -0.00 0.00 0.00 -0.18 -0.01 -0.10 0.32 0.01 0.18 -0.00 -0.00 -0.00 0.03 0.14 0.02 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.10 -0.01 -0.04 -0.08 -0.03 0.02 -0.02 -0.00 -0.01 0.07 0.08 0.13 0.04 -0.08 -0.02 0.01 0.00 0.00 -0.03 -0.00 -0.06 -0.04 0.03 0.05 0.00 0.01 0.01 0.13 -0.26 -0.30 -0.29 0.01 0.03 -0.01 0.00 0.01 0.06 0.03 -0.03 -0.03 -0.04 -0.02 0.00 -0.01 -0.00 0.08 -0.02 -0.05 0.03 0.05 0.10 0.00 -0.01 -0.00 -0.12 0.03 -0.04 0.01 0.07 0.03 -0.01 -0.00 0.01 0.04 -0.07 -0.06 0.05 -0.06 -0.12 0.04 0.06 -0.04 0.08 0.02 0.07 0.01 0.01 -0.01 0.01 0.04 -0.09 -0.02 0.03 -0.01 0.01 -0.01 0.01 -0.07 0.01 -0.10 -0.00 0.00 -0.01 0.19 0.09 0.10 -0.07 0.12 0.01 -0.13 -0.17 -0.01 -0.01 0.00 0.02 0.02 -0.05 -0.18 0.00 -0.01 0.01 -0.04 0.17 -0.07 0.01 -0.01 0.00 -0.24 0.00 -0.08 0.08 0.03 0.00 0.00 0.01 -0.00 -0.02 -0.06 -0.02 -0.04 -0.21 -0.04 -0.00 0.00 0.00 0.31 0.04 -0.21 -0.24 -0.05 0.15 0.01 -0.00 -0.01 -0.02 -0.05 0.09 -0.01 0.03 0.02 -0.00 -0.01 0.00 -0.01 0.01 -0.07 0.09 0.15 -0.03 -0.00 0.01 -0.00 -0.00 -0.06 0.07 0.07 -0.02 -0.01 -0.01 0.01 0.01 0.08 -0.03 -0.02 -0.07 0.05 -0.05 -0.02 -0.01 -0.01 0.28 -0.11 -0.08 -0.04 0.33 0.06 -0.01 -0.00 0.00 0.03 -0.02 -0.03 0.06 0.00 0.00 0.00 0.00 -0.01 -0.07 0.08 0.06 -0.06 -0.26 0.12 -0.07 -0.03 0.04 0.04 -0.05 0.18 0.00 -0.01 -0.00 -0.05 -0.10 -0.01 -0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.06 -0.00 -0.00 0.00 0.00 0.09 0.00 0.03 -0.01 0.05 -0.04 -0.06 -0.08 -0.00 0.02 -0.00 0.00 -0.09 0.12 -0.07 0.00 0.01 0.00 0.02 -0.04 -0.00 0.00 -0.00 -0.00 -0.37 0.00 -0.14 0.24 0.05 0.07 -0.01 -0.03 -0.01 0.12 0.13 0.07 -0.00 0.38 0.14 0.00 0.00 0.00 0.01 -0.01 0.01 -0.10 -0.02 0.06 -0.00 0.01 -0.01 -0.02 -0.04 0.09 -0.01 0.01 0.04 0.00 0.00 0.00 0.05 0.06 -0.11 -0.16 -0.05 0.11 -0.01 0.01 -0.01 0.00 -0.27 0.20 0.25 0.05 -0.03 0.01 -0.01 -0.01 -0.12 0.06 0.01 0.11 -0.12 0.08 0.01 -0.00 0.01 -0.16 0.05 0.06 -0.07 -0.01 -0.22 0.02 0.01 -0.00 -0.19 0.07 0.12 -0.09 -0.10 -0.04 0.00 -0.00 -0.00 -0.03 0.02 0.02 -0.03 0.10 0.06 -0.00 -0.01 0.01 -0.09 -0.04 -0.04 0.00 0.00 -0.01 0.01 0.03 0.04 0.04 -0.02 0.01 0.00 -0.01 0.01 -0.05 0.05 -0.06 -0.00 -0.00 -0.01 0.09 0.12 0.10 -0.03 0.06 -0.01 -0.03 -0.05 -0.01 -0.01 0.00 -0.02 0.04 -0.03 0.18 -0.00 0.00 -0.00 0.00 -0.07 0.04 -0.02 -0.00 -0.02 0.41 0.02 0.20 0.26 -0.00 0.14 -0.00 0.00 -0.00 0.07 0.07 0.04 -0.06 -0.09 0.02 0.02 0.00 -0.02 -0.24 -0.05 0.19 -0.40 -0.06 0.29 0.01 0.00 -0.02 -0.01 -0.06 0.18 -0.02 0.04 -0.02 0.00 -0.00 0.00 0.06 0.06 -0.08 -0.11 -0.04 0.08 0.00 -0.00 0.02 0.03 0.07 -0.17 -0.13 -0.05 0.02 -0.00 0.01 -0.00 0.02 -0.01 -0.01 0.03 -0.08 0.02 0.02 -0.00 0.01 -0.03 0.02 0.02 -0.08 0.11 -0.22 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.02 0.04 0.01 0.00 -0.00 -0.00 -0.07 0.06 0.04 -0.04 -0.03 0.09 -0.03 -0.02 0.02 -0.06 -0.06 0.07 0.00 -0.00 -0.01 0.02 0.05 -0.01 0.01 -0.01 0.01 0.00 -0.02 0.01 -0.06 0.12 -0.07 -0.00 -0.00 -0.01 0.11 0.22 0.17 -0.04 0.10 -0.05 -0.04 -0.07 -0.08 -0.01 -0.00 0.00 0.04 -0.06 -0.03 -0.00 0.00 0.00 0.02 -0.07 0.02 0.00 0.00 0.01 0.09 -0.00 0.03 -0.06 -0.01 -0.02 -0.00 -0.02 -0.00 0.02 0.24 0.02 0.07 0.23 0.02 -0.02 -0.00 0.01 0.13 0.03 -0.11 0.28 0.04 -0.20 -0.01 0.00 0.01 0.01 0.05 -0.10 0.01 -0.03 -0.03 0.01 0.00 0.00 0.17 0.16 -0.21 -0.25 -0.09 0.19 0.01 -0.00 0.01 0.05 0.07 -0.18 -0.21 -0.04 0.02 -0.01 0.00 0.00 0.07 0.08 -0.06 0.03 -0.24 0.02 -0.00 0.00 -0.01 0.11 0.01 -0.11 0.11 -0.02 0.28 0.01 -0.01 -0.01 -0.06 0.01 -0.02 -0.08 0.09 0.03 0.01 -0.00 -0.01 -0.10 0.08 0.06 -0.07 -0.04 0.16 -0.04 -0.03 0.03 -0.07 -0.05 0.02 -0.00 -0.01 -0.00 -0.03 -0.08 0.02 0.01 -0.01 0.01 0.00 -0.00 0.01 -0.01 -0.06 -0.01 -0.00 -0.00 -0.01 0.17 0.26 0.22 -0.07 0.17 -0.06 -0.11 -0.18 -0.13 0.02 -0.00 -0.00 -0.06 0.09 0.03 -0.00 0.01 -0.00 0.02 -0.06 0.02 -0.00 -0.00 -0.00 -0.21 0.01 -0.05 0.33 0.05 0.12 0.00 0.02 0.00 -0.02 -0.16 -0.02 -0.05 -0.23 -0.04 0.00 -0.00 -0.00 -0.22 -0.01 0.12 0.21 0.05 -0.12 -0.03 -0.01 0.00 0.11 0.17 0.03 0.07 -0.12 -0.05 -0.01 -0.01 -0.00 -0.03 -0.03 0.04 0.16 0.12 -0.10 0.00 0.02 0.01 0.08 -0.18 -0.16 -0.13 -0.02 0.02 0.01 0.00 -0.00 -0.02 -0.05 0.04 -0.01 0.09 -0.01 0.01 0.01 -0.00 -0.09 0.03 0.05 0.06 -0.22 0.07 -0.01 0.00 0.00 0.09 -0.03 -0.03 0.08 -0.00 -0.00 -0.00 0.01 -0.00 0.15 -0.03 -0.01 -0.04 0.05 0.09 -0.03 -0.05 0.03 -0.06 -0.02 -0.05 -0.02 -0.01 0.01 0.01 0.04 -0.07 0.02 0.02 0.00 -0.03 0.01 -0.00 0.15 -0.12 0.23 0.00 0.00 -0.00 0.19 0.06 0.09 0.01 0.11 -0.16 -0.12 -0.15 0.06 -0.01 0.00 0.00 0.04 -0.05 -0.01 0.00 -0.01 0.00 -0.06 0.20 -0.06 -0.00 -0.00 -0.00 0.07 0.00 0.03 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.03 0.08 0.02 0.00 0.06 0.02 0.00 0.00 -0.00 0.07 0.01 -0.04 -0.07 -0.01 0.04 0.00 0.00 -0.00 -0.02 -0.03 0.02 -0.01 0.02 0.00 0.00 0.00 -0.00 0.03 0.03 -0.05 -0.10 -0.04 0.07 0.00 0.00 0.00 -0.00 0.06 -0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.01 0.03 -0.02 0.02 -0.09 0.02 -0.00 -0.00 -0.00 0.03 -0.00 -0.03 -0.00 0.05 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.01 0.00 -0.02 0.02 0.01 0.62 -0.29 -0.19 0.14 0.07 -0.33 0.03 -0.04 0.01 0.09 0.02 0.08 0.00 0.00 -0.00 0.01 0.03 0.03 -0.00 -0.01 0.00 0.02 0.01 -0.00 -0.00 -0.18 -0.04 0.00 0.01 0.00 0.03 -0.01 -0.00 -0.05 0.04 0.07 -0.08 -0.13 -0.09 -0.01 -0.00 -0.00 0.02 -0.03 0.01 -0.00 0.00 -0.00 0.02 -0.07 0.03 -0.01 -0.00 -0.01 0.11 0.01 0.06 0.09 0.00 0.04 -0.01 -0.03 -0.00 0.03 0.42 0.03 0.09 0.25 0.01 0.00 -0.00 0.00 0.04 0.00 -0.02 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.02 0.01 -0.01 0.01 -0.02 0.01 0.00 -0.00 -0.41 -0.28 0.15 0.18 0.20 -0.09 0.00 0.01 0.01 -0.00 0.01 0.03 0.04 -0.03 0.00 0.00 -0.02 0.01 -0.01 0.11 -0.04 -0.10 0.18 -0.07 -0.00 -0.01 0.01 -0.09 0.20 -0.29 0.01 0.03 0.04 -0.00 -0.03 0.00 -0.11 0.01 -0.13 0.06 0.19 0.09 -0.00 0.00 -0.00 0.03 -0.00 0.00 -0.03 -0.01 0.06 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.04 0.03 0.01 0.00 0.00 0.01 0.00 -0.02 -0.13 -0.04 -0.00 -0.01 -0.01 0.01 0.17 0.11 -0.02 -0.02 0.07 0.07 0.09 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.04 -0.00 -0.01 0.00 -0.07 0.21 -0.07 -0.00 0.00 -0.00 0.12 -0.01 0.03 -0.02 -0.02 0.02 -0.00 -0.01 -0.00 0.02 0.05 0.01 0.05 0.28 0.06 0.00 -0.01 -0.00 -0.12 0.00 0.04 0.07 0.03 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.05 0.00 0.00 -0.00 -0.18 -0.13 0.09 0.01 0.01 -0.00 0.00 -0.02 -0.01 -0.01 -0.02 0.02 -0.05 0.37 0.04 0.00 -0.00 -0.02 -0.13 -0.09 0.07 0.05 0.15 0.04 -0.01 0.01 -0.02 0.27 -0.38 0.43 0.00 0.02 0.03 0.00 0.00 0.00 -0.04 0.02 0.04 -0.03 -0.07 -0.02 -0.00 0.00 -0.01 0.09 -0.00 0.00 -0.07 -0.11 0.17 -0.06 -0.02 0.03 -0.03 -0.02 -0.02 -0.01 0.00 0.02 0.02 0.03 0.03 -0.02 0.02 -0.01 0.01 -0.00 -0.01 0.03 -0.01 0.01 0.01 0.02 0.03 -0.13 -0.25 -0.20 -0.02 0.07 -0.01 -0.17 -0.31 -0.29 -0.00 0.00 -0.00 0.03 -0.03 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.01 -0.01 -0.01 -0.01 0.05 0.02 0.07 0.31 0.03 0.12 0.00 0.01 -0.00 -0.00 -0.09 -0.01 -0.02 -0.04 0.01 -0.00 0.00 -0.00 0.03 0.01 -0.02 0.04 0.01 -0.03 -0.01 -0.00 -0.01 0.05 0.07 0.06 0.03 -0.07 0.06 0.02 0.01 -0.01 -0.21 -0.14 0.06 -0.28 -0.17 0.18 0.00 0.01 0.01 -0.00 0.03 0.01 0.05 -0.12 -0.01 -0.01 0.00 -0.00 0.07 -0.02 -0.02 -0.02 0.01 -0.02 -0.02 0.01 -0.01 0.17 -0.16 0.12 0.06 -0.03 0.18 0.01 0.01 -0.01 -0.01 0.01 0.07 -0.08 -0.05 -0.03 0.00 -0.01 0.01 -0.17 0.04 0.02 0.08 0.01 -0.18 0.04 0.03 -0.02 0.15 0.15 -0.17 -0.01 -0.01 0.01 0.02 0.04 -0.00 0.01 0.01 -0.00 -0.01 -0.02 0.00 0.01 0.21 0.04 0.00 0.00 0.01 -0.08 -0.07 -0.06 0.02 0.03 -0.09 -0.02 -0.05 -0.07 -0.01 0.00 -0.00 0.04 -0.05 0.03 0.00 -0.01 0.00 -0.04 0.11 -0.03 -0.02 -0.00 -0.02 0.20 0.01 0.10 0.24 0.00 0.12 -0.00 -0.01 -0.00 0.04 0.14 0.03 0.02 0.13 0.03 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.07 0.02 -0.03 -0.01 0.00 -0.00 0.02 0.04 0.04 0.02 -0.04 -0.01 -0.03 -0.02 0.01 0.37 0.26 -0.15 0.36 0.25 -0.23 -0.01 -0.00 -0.00 -0.03 -0.04 0.15 0.14 0.17 0.01 0.01 0.00 -0.01 -0.12 -0.01 0.05 0.04 0.02 0.04 -0.02 -0.00 -0.00 0.11 -0.06 -0.01 0.04 0.01 0.13 -0.01 -0.01 0.01 -0.00 -0.01 -0.08 0.12 0.05 0.03 0.00 -0.00 0.01 -0.13 0.02 0.01 0.10 0.08 -0.21 0.05 0.02 -0.03 0.07 0.07 -0.08 -0.01 0.03 -0.02 -0.00 -0.02 0.10 0.05 -0.03 0.02 0.01 0.00 0.00 -0.03 -0.03 -0.05 0.01 -0.00 -0.01 0.14 -0.08 -0.02 -0.04 0.06 0.01 -0.04 0.00 0.26 0.00 -0.00 -0.01 -0.02 0.03 0.05 -0.00 0.01 -0.01 0.04 -0.18 0.09 -0.00 0.00 -0.00 0.06 0.00 0.02 0.04 -0.00 0.03 0.00 0.00 0.00 -0.02 -0.04 -0.01 0.02 0.04 -0.00 0.00 -0.01 0.00 -0.18 0.01 0.06 0.22 0.06 -0.09 -0.01 -0.00 0.00 0.02 0.05 -0.03 0.01 -0.03 -0.02 0.00 0.00 -0.00 -0.07 -0.04 0.01 -0.03 0.01 0.03 -0.01 0.01 -0.01 -0.00 -0.10 0.07 0.12 -0.09 -0.03 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.04 -0.01 -0.01 0.01 -0.01 0.15 -0.09 0.03 -0.00 0.10 0.03 0.01 0.00 -0.00 -0.08 0.03 0.02 -0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.14 0.01 -0.00 0.13 -0.02 -0.33 0.05 0.05 -0.04 -0.11 -0.28 0.62 0.01 -0.03 0.00 -0.04 -0.05 -0.20 0.03 0.08 -0.00 0.01 -0.00 0.00 -0.04 0.03 -0.06 0.00 0.00 0.00 -0.02 -0.02 -0.02 -0.04 0.06 0.00 -0.03 -0.06 -0.06 0.02 0.00 0.01 -0.02 0.04 0.02 0.00 -0.02 0.01 -0.17 0.54 -0.19 0.01 -0.00 0.01 -0.20 -0.01 -0.09 -0.15 -0.00 -0.08 0.00 -0.01 0.00 -0.01 0.07 -0.00 0.03 0.05 -0.00 0.01 -0.01 -0.01 -0.31 -0.01 0.15 -0.00 0.04 0.08 0.01 0.00 0.00 -0.03 -0.04 -0.02 -0.02 0.04 -0.03 0.00 -0.00 -0.00 -0.03 -0.02 -0.00 -0.02 0.00 0.02 0.01 0.00 0.01 0.02 0.08 -0.12 -0.15 -0.08 0.01 -0.00 -0.00 0.00 0.02 0.03 -0.02 -0.03 0.01 -0.02 0.01 0.00 0.01 0.06 0.05 -0.12 -0.00 0.07 0.01 -0.00 -0.00 -0.00 0.06 -0.02 -0.03 0.00 0.05 0.02 0.01 -0.01 0.01 -0.25 0.06 0.03 0.09 0.33 -0.14 0.06 0.05 -0.04 -0.19 -0.13 0.00 0.02 -0.00 -0.01 0.00 -0.02 0.07 0.03 0.01 0.01 -0.01 0.01 -0.00 0.04 -0.01 0.07 -0.01 0.00 0.00 -0.02 -0.08 -0.06 0.08 -0.16 0.03 0.07 0.11 0.04 0.01 0.00 -0.01 0.01 0.01 0.07 -0.00 -0.01 -0.00 -0.08 0.20 -0.05 -0.01 0.00 -0.01 0.08 0.01 0.04 0.09 0.00 0.05 0.00 0.01 0.00 -0.04 -0.09 -0.02 0.01 -0.04 -0.02 0.01 -0.01 -0.01 -0.32 -0.00 0.14 0.15 0.06 -0.01 -0.01 -0.00 -0.00 0.03 0.04 0.00 0.01 -0.03 0.00 0.00 -0.00 0.00 0.06 0.05 -0.07 -0.06 -0.03 0.05 -0.00 0.01 -0.01 -0.04 -0.08 0.22 0.29 -0.26 -0.06 -0.01 -0.00 0.01 0.07 0.05 -0.04 -0.05 -0.01 -0.03 -0.02 0.00 0.01 0.21 0.05 -0.27 0.03 0.15 0.19 0.01 0.00 -0.00 -0.14 0.05 0.04 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.25 -0.05 -0.02 -0.15 -0.11 0.36 -0.08 -0.05 0.04 -0.06 -0.01 -0.08 -0.01 0.01 0.01 -0.00 -0.09 0.39 0.03 -0.08 0.02 -0.00 -0.01 -0.00 0.03 0.04 0.04 0.00 0.00 0.01 -0.05 -0.02 -0.02 -0.01 0.06 -0.05 -0.06 -0.10 -0.11 0.02 0.00 -0.02 -0.07 0.11 0.04 -0.00 0.02 -0.02 0.05 -0.25 0.12 0.02 0.00 0.02 -0.28 -0.01 -0.12 -0.25 0.02 -0.15 -0.00 -0.01 -0.00 0.01 0.08 0.01 0.03 0.11 0.01 0.02 -0.00 -0.02 -0.31 -0.04 0.19 -0.14 -0.01 0.12 0.01 0.00 -0.00 -0.06 -0.09 -0.02 -0.03 0.06 0.02 -0.00 -0.01 0.00 0.07 0.05 -0.06 0.05 0.05 -0.02 0.01 0.00 0.01 0.05 -0.04 -0.10 -0.17 0.03 0.02 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.04 -0.00 -0.02 -0.00 0.00 0.25 -0.10 -0.06 0.01 0.15 0.12 -0.00 -0.01 -0.00 -0.03 0.00 -0.02 0.02 0.05 0.02 -0.00 0.00 0.00 0.05 -0.02 -0.01 0.03 -0.18 -0.10 -0.00 -0.02 0.01 0.21 0.17 -0.10 0.01 0.02 -0.01 -0.02 -0.02 -0.11 -0.04 0.01 -0.01 -0.01 0.00 -0.01 0.06 0.04 0.08 0.00 0.01 0.01 -0.12 -0.19 -0.16 0.07 -0.15 0.03 -0.04 -0.07 -0.07 0.01 -0.00 0.00 -0.03 0.04 -0.02 0.00 0.00 0.00 0.03 -0.07 0.02 0.01 -0.01 -0.00 -0.20 0.02 -0.02 0.18 0.05 0.02 -0.00 -0.01 0.00 0.04 0.22 0.03 0.04 0.12 0.01 -0.00 -0.00 0.00 -0.04 0.00 0.01 0.08 0.02 -0.03 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.00 0.01 -0.15 -0.01 0.00 -0.00 0.08 0.03 0.04 0.01 -0.05 -0.03 -0.01 0.00 0.01 -0.05 0.28 -0.06 -0.03 -0.14 -0.01 0.00 0.00 -0.01 -0.05 -0.02 0.02 0.05 -0.06 0.04 0.00 0.01 -0.00 0.04 -0.09 0.14 -0.05 0.07 -0.14 -0.02 -0.00 0.00 0.55 -0.18 -0.12 -0.01 0.08 0.03 -0.00 0.01 -0.01 0.14 -0.03 -0.02 -0.08 -0.13 0.18 -0.04 -0.03 0.02 -0.07 -0.11 0.19 -0.00 -0.01 0.00 0.02 -0.01 0.26 0.07 -0.03 0.02 0.00 0.00 0.00 -0.03 -0.03 -0.05 0.00 -0.01 -0.01 0.04 0.14 0.10 0.01 -0.05 0.04 0.05 0.09 0.09 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.04 0.04 0.01 -0.01 -0.01 -0.01 -0.05 0.02 0.02 0.13 0.03 0.03 0.00 0.00 0.00 -0.01 0.04 -0.01 -0.02 -0.05 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.03 -0.04 -0.02 0.01 -0.00 -0.00 0.00 0.02 0.02 0.02 0.00 -0.00 -0.08 0.01 0.00 -0.00 -0.03 -0.03 0.03 -0.18 -0.13 0.11 -0.01 -0.02 -0.02 -0.08 0.01 0.23 0.08 0.50 0.03 -0.01 -0.01 0.01 0.08 0.05 -0.05 -0.05 0.03 -0.04 -0.01 -0.02 0.00 -0.01 0.15 -0.29 0.05 0.01 0.17 -0.01 0.02 0.01 0.47 -0.15 -0.04 -0.10 -0.13 -0.05 0.00 -0.00 0.00 -0.07 0.01 0.01 0.04 0.05 -0.10 0.02 0.03 -0.02 0.02 0.02 -0.03 0.01 -0.01 -0.00 0.08 0.03 0.68 0.17 -0.05 0.05 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.02 -0.03 -0.03 -0.00 0.01 -0.01 -0.02 -0.04 -0.06 -0.01 0.01 -0.02 0.07 -0.09 -0.01 -0.01 -0.01 -0.02 -0.17 0.29 -0.02 -0.00 0.00 0.00 0.05 0.01 0.02 0.01 0.03 -0.02 -0.00 0.00 0.01 -0.03 -0.04 -0.01 0.03 0.02 -0.02 -0.01 -0.01 0.02 0.18 0.02 -0.11 0.13 -0.01 -0.15 -0.00 -0.00 0.01 0.01 0.03 -0.03 0.00 0.00 -0.15 -0.00 0.00 -0.00 -0.01 -0.01 0.03 0.03 0.01 -0.03 -0.00 0.01 0.01 0.06 -0.13 -0.13 -0.04 -0.10 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.01 0.03 -0.06 0.02 0.01 -0.00 0.01 -0.06 -0.01 0.09 -0.14 0.17 -0.32 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.08 0.05 -0.00 -0.00 0.00 -0.06 -0.04 -0.02 0.01 0.02 -0.01 -0.00 0.00 -0.05 -0.00 0.02 -0.01 -0.00 -0.00 -0.01 0.07 0.05 0.09 0.01 0.02 0.02 -0.19 -0.23 -0.21 0.03 -0.06 0.00 -0.14 -0.25 -0.24 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.01 0.00 0.06 -0.01 -0.01 -0.08 -0.03 -0.00 -0.00 0.01 0.00 -0.01 -0.11 -0.01 -0.02 -0.07 -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 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 0.01 0.03 -0.01 -0.03 0.01 -0.01 0.00 0.06 -0.17 -0.07 -0.19 0.52 0.08 -0.00 0.00 0.00 0.01 0.02 -0.01 0.04 -0.14 0.02 0.01 -0.01 -0.00 -0.08 0.12 -0.15 0.03 -0.01 0.04 0.01 0.01 0.00 -0.18 0.06 0.04 -0.02 -0.09 -0.03 -0.00 0.01 -0.00 0.11 -0.02 -0.01 -0.07 -0.07 0.17 -0.03 -0.03 0.02 -0.15 -0.19 0.29 0.00 0.00 -0.01 0.03 -0.00 0.31 0.09 -0.03 0.03 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.03 -0.02 0.02 -0.06 0.02 0.00 0.01 0.03 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.07 0.12 -0.00 0.00 -0.01 0.00 -0.11 -0.00 -0.04 0.04 0.03 -0.03 -0.00 0.00 -0.02 0.16 0.15 0.07 -0.13 -0.12 0.05 0.01 0.01 -0.00 0.05 0.01 -0.02 -0.13 -0.04 0.03 0.00 0.00 -0.02 -0.00 -0.01 0.03 0.03 -0.08 0.64 -0.00 -0.00 0.00 0.02 0.02 -0.02 0.03 0.02 -0.02 0.01 -0.01 -0.00 -0.07 0.28 0.04 -0.01 -0.07 -0.01 0.00 0.00 -0.00 -0.03 -0.02 0.02 0.01 0.01 0.01 0.00 0.01 -0.02 -0.09 0.00 0.08 0.13 -0.28 0.21 -0.00 -0.01 -0.00 -0.05 0.01 -0.00 0.03 0.05 0.02 0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.03 0.05 0.07 -0.01 -0.00 0.00 -0.12 -0.13 0.16 -0.00 0.00 0.00 -0.01 -0.00 -0.12 -0.04 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.03 0.01 0.00 0.00 0.00 -0.02 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.02 -0.03 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.03 -0.05 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.02 -0.00 0.01 0.00 0.00 -0.01 0.05 0.08 0.02 -0.08 -0.10 0.03 -0.00 -0.01 0.02 -0.08 0.06 -0.06 0.28 0.07 -0.12 -0.01 -0.00 -0.01 0.03 0.06 -0.02 0.03 -0.09 0.41 0.01 -0.02 0.01 0.10 0.09 -0.17 -0.13 0.00 0.12 0.00 -0.01 0.00 0.01 0.06 -0.07 -0.07 0.15 0.03 0.00 -0.02 0.01 0.05 0.02 -0.03 -0.17 0.44 -0.13 0.01 -0.01 0.02 0.02 0.04 -0.09 -0.19 0.28 -0.40 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.02 -0.02 -0.01 -0.00 0.00 0.00 0.02 -0.01 -0.00 0.01 -0.03 -0.02 0.01 -0.00 -0.00 0.06 0.06 -0.07 0.00 0.00 -0.01 0.01 0.01 0.08 0.03 0.00 0.01 -0.00 -0.00 0.00 0.01 0.05 0.03 0.00 0.00 0.00 -0.02 -0.06 -0.05 0.02 -0.03 -0.01 -0.03 -0.05 -0.04 -0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.02 0.05 -0.01 0.00 0.00 0.00 0.02 0.00 0.01 -0.05 -0.01 -0.01 0.00 -0.01 0.01 -0.10 -0.01 -0.05 0.07 0.11 -0.01 0.00 0.01 -0.01 0.11 -0.03 0.01 -0.19 -0.05 0.06 0.01 0.00 0.01 -0.02 -0.04 0.01 -0.02 0.06 -0.28 0.01 -0.02 0.01 0.14 0.12 -0.22 -0.14 0.01 0.14 -0.00 0.01 0.00 0.03 -0.11 -0.02 0.01 -0.07 -0.01 0.01 -0.02 0.00 0.03 -0.00 -0.02 -0.23 0.63 -0.16 0.00 0.01 -0.01 -0.12 -0.01 0.13 0.10 -0.29 0.14 0.00 0.00 -0.00 0.02 -0.01 0.00 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.05 -0.01 -0.01 -0.03 0.03 0.07 -0.00 -0.01 0.00 -0.07 -0.09 0.12 -0.00 -0.00 0.00 0.00 -0.01 0.08 0.02 -0.02 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.04 0.04 0.03 0.04 -0.11 0.04 -0.00 0.01 0.04 0.00 -0.00 -0.00 -0.02 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.02 -0.01 -0.23 0.04 0.02 0.25 0.07 0.02 -0.00 0.00 0.01 -0.09 -0.17 -0.05 0.06 0.03 -0.04 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.03 0.00 -0.02 -0.00 -0.00 0.01 0.03 0.04 0.01 -0.01 0.02 -0.30 -0.00 -0.00 0.00 0.01 0.02 -0.05 0.02 0.02 -0.01 0.02 -0.04 -0.00 -0.14 0.67 0.05 -0.09 0.15 0.03 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.02 0.05 -0.02 0.00 -0.01 0.00 -0.01 0.02 -0.03 -0.03 0.05 -0.05 0.01 -0.00 -0.00 -0.41 0.13 0.08 0.01 0.02 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.03 0.01 0.01 -0.01 0.01 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.03 0.01 0.03 0.02 0.03 0.01 -0.03 0.02 -0.23 -0.15 -0.14 -0.28 0.73 -0.32 0.21 0.26 0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.04 0.01 0.01 0.05 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.03 0.00 -0.00 -0.00 -0.04 -0.04 0.02 -0.04 0.05 0.05 -0.00 -0.01 -0.00 -0.04 0.12 0.04 0.01 0.04 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 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 0.01 -0.00 0.04 -0.01 -0.02 -0.05 -0.04 0.11 -0.04 -0.10 0.06 -0.03 -0.03 0.02 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 -0.05 -0.02 -0.01 0.00 -0.01 -0.01 0.04 0.04 0.06 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.09 0.07 0.05 0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.04 0.01 0.06 0.00 0.00 -0.00 -0.01 0.01 0.02 -0.01 -0.02 0.02 0.01 -0.00 -0.00 -0.05 0.02 -0.03 -0.03 0.01 0.04 -0.00 -0.00 -0.00 0.01 -0.02 0.02 0.02 0.02 0.02 0.00 -0.00 -0.00 0.02 0.03 0.00 -0.03 0.04 0.01 0.01 0.01 0.02 -0.10 -0.00 -0.20 0.04 -0.17 -0.08 0.00 0.00 0.00 -0.00 0.01 0.02 -0.02 -0.02 -0.00 0.03 0.02 0.01 -0.30 -0.07 0.16 -0.28 -0.18 -0.35 0.00 -0.01 -0.01 -0.06 0.00 0.05 0.01 0.10 0.06 0.00 0.01 0.01 -0.01 0.02 -0.19 -0.05 -0.12 -0.04 -0.02 -0.04 -0.01 0.25 0.27 0.35 -0.02 0.05 0.03 0.11 0.34 -0.19 0.07 0.02 0.04 -0.00 -0.00 -0.00 -0.02 -0.03 -0.00 -0.03 -0.01 -0.01 0.00 -0.01 -0.03 0.13 0.12 0.17 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.22 0.05 0.24 0.00 0.01 0.02 -0.00 0.00 0.00 0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.03 -0.00 -0.00 0.00 0.02 -0.02 -0.02 0.01 0.02 -0.02 -0.00 0.00 0.00 0.04 -0.01 0.02 0.03 -0.00 -0.04 0.00 0.00 0.00 -0.01 0.02 -0.02 -0.02 -0.02 -0.02 -0.00 0.00 0.00 -0.02 -0.02 -0.00 0.02 -0.03 -0.01 -0.01 -0.01 -0.02 0.09 -0.01 0.19 -0.04 0.16 0.08 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.02 0.00 -0.03 -0.01 -0.01 0.27 0.06 -0.14 0.25 0.15 0.31 -0.00 0.00 0.00 0.05 -0.01 -0.03 -0.01 -0.06 -0.04 -0.00 -0.01 -0.01 0.02 -0.02 0.19 0.05 0.12 0.04 -0.02 -0.04 -0.01 0.24 0.26 0.33 -0.02 0.03 0.02 0.11 0.33 -0.18 0.04 0.01 0.03 0.00 0.01 0.01 0.27 0.43 0.00 0.36 0.12 0.09 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.02 -0.02 -0.01 -0.01 0.01 0.00 0.01 0.01 -0.02 0.00 -0.04 -0.00 -0.26 0.30 0.03 -0.04 -0.01 0.02 0.24 -0.05 -0.38 0.00 0.00 -0.01 -0.04 0.04 0.07 -0.03 -0.07 0.06 -0.01 0.00 0.00 0.05 -0.01 0.03 0.04 -0.01 -0.04 0.01 0.00 0.01 -0.04 0.05 -0.05 -0.04 -0.05 -0.06 -0.00 0.02 0.00 -0.11 -0.14 -0.01 0.14 -0.18 -0.03 -0.00 0.00 0.00 -0.02 0.00 -0.04 0.02 -0.03 -0.02 -0.00 0.00 0.00 0.01 0.01 -0.04 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.01 0.02 0.02 0.03 -0.00 0.00 0.00 0.02 0.00 -0.02 -0.00 -0.04 -0.02 0.00 0.00 0.01 -0.02 0.02 -0.16 -0.04 -0.11 -0.04 -0.00 -0.01 -0.00 0.05 0.05 0.07 0.02 -0.11 -0.06 0.02 0.07 -0.04 -0.10 -0.02 -0.07 0.00 0.00 0.00 0.09 0.14 0.02 0.16 0.05 0.04 0.00 -0.00 -0.01 0.03 0.03 0.04 -0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.05 -0.01 0.07 0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.09 0.10 0.01 -0.02 -0.00 0.01 0.11 -0.03 -0.17 0.01 0.00 -0.01 -0.06 0.07 0.11 -0.05 -0.11 0.10 0.01 -0.00 -0.00 -0.11 0.03 -0.07 -0.10 0.01 0.10 -0.01 -0.00 -0.02 0.12 -0.13 0.12 0.10 0.13 0.14 0.00 -0.03 -0.01 0.19 0.23 0.02 -0.24 0.31 0.07 0.00 -0.01 -0.01 0.07 -0.00 0.13 -0.06 0.10 0.07 0.00 0.00 -0.01 -0.02 -0.05 0.09 -0.07 0.02 0.00 0.01 0.01 0.00 -0.12 -0.03 0.06 -0.10 -0.07 -0.14 0.00 -0.01 -0.01 -0.07 0.01 0.04 0.01 0.08 0.04 -0.01 -0.01 -0.03 0.07 -0.06 0.45 0.10 0.29 0.10 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.05 -0.03 -0.00 -0.00 0.00 -0.05 -0.01 -0.04 -0.00 -0.00 -0.00 -0.03 -0.05 0.04 -0.07 -0.03 -0.02 0.00 -0.00 -0.00 0.02 0.02 0.03 0.00 -0.00 -0.00 -0.03 0.02 0.01 -0.04 0.00 0.04 -0.02 -0.01 0.03 -0.00 0.01 -0.00 0.03 -0.04 -0.00 0.01 0.00 -0.00 -0.06 0.02 0.08 0.02 0.01 -0.04 -0.21 0.24 0.36 -0.15 -0.33 0.30 -0.01 0.00 0.00 0.08 -0.02 0.05 0.06 -0.01 -0.06 -0.02 -0.00 -0.03 0.24 -0.26 0.24 0.20 0.26 0.28 -0.00 0.02 -0.00 -0.10 -0.12 -0.01 0.13 -0.17 0.02 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.05 -0.03 -0.00 -0.01 -0.00 -0.00 0.07 0.01 -0.04 0.07 0.05 0.08 0.00 -0.00 -0.00 -0.02 -0.00 0.01 -0.01 0.02 -0.01 0.00 0.00 0.01 -0.02 0.02 -0.14 -0.03 -0.09 -0.03 0.00 0.00 0.00 -0.02 -0.02 -0.02 -0.01 0.04 0.02 -0.01 -0.02 0.01 0.04 0.01 0.03 -0.00 -0.00 -0.01 0.02 0.03 -0.00 -0.08 -0.03 -0.02 -0.01 0.01 0.03 -0.14 -0.14 -0.18 -0.01 0.00 0.01 0.07 -0.07 -0.02 0.24 -0.02 -0.30 0.05 0.04 -0.08 0.00 -0.00 0.00 -0.02 0.02 0.00 0.01 0.00 -0.00 -0.06 0.02 0.09 0.00 0.00 -0.01 -0.02 0.03 0.05 -0.02 -0.04 0.04 -0.01 0.01 0.00 0.08 -0.05 0.04 0.07 -0.02 -0.07 0.00 -0.00 0.01 -0.05 0.05 -0.04 -0.03 -0.04 -0.05 -0.00 0.03 0.00 -0.19 -0.24 -0.02 0.25 -0.32 -0.05 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 -0.03 0.03 -0.02 0.06 0.01 0.01 0.00 0.00 -0.07 -0.02 0.04 -0.08 -0.04 -0.10 0.00 -0.01 -0.00 -0.05 0.01 0.02 0.01 0.07 0.04 -0.01 -0.01 -0.03 0.08 -0.06 0.48 0.12 0.29 0.10 -0.01 -0.01 -0.00 0.07 0.07 0.09 -0.02 0.06 0.03 0.03 0.09 -0.05 0.07 0.01 0.05 0.00 0.00 0.00 -0.02 -0.02 -0.01 -0.03 -0.01 -0.01 0.01 -0.01 -0.04 0.20 0.19 0.26 0.01 -0.00 -0.01 -0.07 0.09 0.04 -0.35 0.02 0.44 -0.05 -0.04 0.10 0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.03 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.02 -0.02 0.01 0.02 -0.01 -0.02 0.01 -0.00 0.01 -0.07 0.08 -0.07 -0.05 -0.07 -0.08 -0.00 0.03 0.00 -0.16 -0.19 -0.02 0.20 -0.27 -0.05 0.00 -0.00 -0.01 0.05 -0.01 0.09 -0.06 0.08 0.07 0.00 0.00 -0.01 -0.02 -0.02 0.07 -0.05 -0.01 0.00 0.02 0.01 0.01 -0.18 -0.04 0.10 -0.18 -0.11 -0.22 0.00 -0.00 -0.00 -0.03 0.01 0.02 0.00 0.05 0.03 -0.00 -0.00 -0.01 0.01 -0.01 0.13 0.03 0.07 0.03 0.01 0.02 0.00 -0.13 -0.12 -0.16 0.01 -0.01 -0.01 -0.05 -0.16 0.09 -0.02 0.00 -0.03 -0.01 -0.02 -0.02 0.28 0.42 -0.01 -0.28 -0.10 -0.07 0.00 -0.00 -0.00 0.02 0.02 0.02 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.03 -0.01 0.04 -0.01 -0.01 0.02 -0.00 -0.04 -0.00 -0.25 0.28 0.03 0.03 -0.00 -0.01 -0.23 0.08 0.31 0.00 0.00 -0.01 -0.03 0.03 0.05 -0.02 -0.06 0.05 0.00 -0.00 -0.00 -0.03 0.01 -0.02 -0.03 0.00 0.03 0.01 -0.00 0.01 -0.07 0.06 -0.06 -0.05 -0.07 -0.08 0.00 -0.01 -0.00 0.06 0.07 0.01 -0.08 0.10 0.02 -0.00 -0.00 -0.00 0.02 -0.00 0.04 -0.01 0.04 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.03 0.00 -0.02 0.04 0.02 0.04 0.00 -0.01 -0.01 -0.07 -0.01 0.06 0.01 0.11 0.07 0.00 0.00 0.00 -0.01 0.01 -0.06 -0.02 -0.04 -0.01 0.01 0.00 0.00 -0.05 -0.04 -0.06 -0.06 0.29 0.15 -0.02 -0.06 0.03 0.29 0.07 0.18 0.00 0.00 0.00 -0.02 -0.03 0.00 -0.03 -0.01 -0.01 -0.00 0.00 0.01 -0.05 -0.05 -0.07 -0.01 0.00 0.01 0.10 -0.06 -0.01 0.11 -0.04 -0.11 0.04 0.04 -0.09 0.00 0.00 -0.00 0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.04 0.00 0.00 -0.00 -0.04 0.04 0.05 -0.03 -0.05 0.04 0.03 -0.00 -0.00 -0.23 0.07 -0.13 -0.20 0.01 0.19 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.05 -0.06 -0.01 0.07 -0.09 -0.02 -0.00 -0.02 -0.04 0.26 -0.00 0.47 -0.18 0.42 0.27 -0.01 -0.00 0.01 0.03 0.05 -0.14 0.12 0.02 -0.00 0.01 0.01 0.00 -0.10 -0.02 0.05 -0.08 -0.08 -0.12 -0.00 0.00 0.00 0.06 -0.01 -0.03 -0.00 -0.06 -0.03 0.01 0.00 0.01 -0.07 0.03 -0.22 -0.06 -0.13 -0.04 -0.00 -0.00 -0.00 0.03 0.04 0.05 0.01 -0.03 -0.03 0.01 0.04 -0.02 -0.04 -0.01 -0.01 -0.00 -0.00 -0.00 -0.04 -0.05 -0.01 0.09 0.03 0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.00 0.00 0.00 0.05 -0.03 -0.01 0.03 -0.02 -0.02 0.02 0.02 -0.05 0.00 0.00 0.00 0.03 -0.03 0.00 -0.01 0.00 0.00 0.07 -0.03 -0.11 -0.01 -0.00 0.01 0.06 -0.07 -0.11 0.05 0.11 -0.10 -0.02 0.00 0.00 0.22 -0.05 0.13 0.18 -0.01 -0.17 -0.00 -0.01 -0.01 -0.02 -0.04 0.06 0.07 0.06 0.06 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.10 0.00 0.16 -0.07 0.15 0.10 0.00 0.00 0.00 -0.01 0.00 0.03 -0.03 -0.03 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.01 0.02 0.07 0.02 0.02 -0.03 -0.03 -0.45 0.05 0.27 0.07 0.51 0.33 0.00 0.00 0.01 -0.03 0.02 -0.13 -0.03 -0.09 -0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.04 0.02 0.00 0.00 -0.00 0.06 0.02 0.00 -0.02 -0.03 -0.03 -0.04 -0.05 0.00 0.22 0.08 0.06 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.09 0.03 -0.01 0.01 -0.00 -0.01 -0.04 -0.04 0.06 0.00 0.01 0.00 0.03 -0.03 -0.00 -0.02 -0.00 0.01 0.17 -0.07 -0.26 -0.01 -0.00 0.02 0.08 -0.09 -0.15 0.06 0.14 -0.13 0.00 0.00 -0.00 -0.04 0.01 -0.02 -0.03 0.00 0.03 -0.01 0.00 -0.01 0.11 -0.11 0.11 0.08 0.11 0.13 -0.00 0.01 0.00 -0.04 -0.05 -0.01 0.06 -0.08 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.03 -0.01 0.03 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.03 -0.01 0.02 -0.03 -0.04 -0.04 -0.01 0.01 0.01 0.16 -0.04 -0.08 -0.04 -0.11 -0.10 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.03 -0.01 -0.02 -0.10 0.42 0.25 -0.02 -0.03 0.02 0.48 0.13 0.28 0.00 0.01 0.01 0.11 0.17 0.00 -0.12 -0.04 -0.03 0.00 -0.00 -0.01 0.04 0.04 0.05 -0.02 -0.00 0.01 0.21 -0.08 0.00 -0.07 0.01 0.09 0.10 0.10 -0.16 -0.00 -0.01 -0.00 -0.09 0.10 0.01 0.01 -0.00 -0.01 -0.10 0.04 0.14 -0.01 -0.00 0.03 0.10 -0.14 -0.22 0.07 0.20 -0.19 -0.01 0.00 0.00 0.12 -0.04 0.07 0.10 -0.00 -0.10 -0.02 0.00 -0.02 0.20 -0.21 0.20 0.14 0.21 0.24 -0.00 0.00 0.00 -0.02 -0.03 -0.00 0.03 -0.05 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.03 -0.00 -0.03 -0.01 -0.02 -0.01 0.02 0.06 0.06 -0.34 0.35 0.12 -0.01 0.00 0.00 0.00 -0.04 -0.01 0.02 -0.06 -0.03 -0.06 -0.00 0.00 0.01 0.07 0.00 -0.07 -0.01 -0.10 -0.03 -0.00 0.00 -0.00 0.00 -0.01 0.06 0.01 0.03 0.01 0.00 0.00 0.00 -0.02 -0.02 -0.02 0.03 -0.09 -0.07 -0.00 -0.01 0.01 -0.11 -0.03 -0.05 -0.01 -0.01 -0.01 -0.07 -0.11 -0.00 0.07 0.02 0.02 0.00 -0.00 -0.01 0.05 0.05 0.07 -0.02 -0.00 0.01 0.30 -0.13 -0.00 -0.10 0.02 0.12 0.14 0.14 -0.23 0.00 0.01 -0.00 0.06 -0.06 -0.01 -0.01 0.00 0.00 0.06 -0.04 -0.08 0.01 0.00 -0.01 -0.07 0.06 0.08 -0.05 -0.08 0.07 0.03 -0.00 -0.00 -0.29 0.08 -0.17 -0.26 -0.00 0.24 0.01 -0.00 0.00 -0.08 0.06 -0.04 -0.03 -0.05 -0.06 -0.00 0.01 0.00 -0.03 -0.04 -0.01 0.05 -0.06 -0.01 -0.00 0.01 0.02 -0.11 0.00 -0.18 0.09 -0.17 -0.12 -0.02 -0.01 0.01 0.05 0.05 -0.26 0.25 0.09 -0.01 -0.01 -0.00 -0.01 0.07 0.02 -0.04 0.10 0.05 0.12 0.00 -0.01 -0.01 -0.17 0.02 0.09 0.04 0.20 0.15 -0.00 -0.00 -0.00 0.01 -0.01 0.07 0.01 0.05 0.02 0.00 0.00 0.00 -0.04 -0.04 -0.05 -0.01 0.09 0.03 -0.01 -0.04 0.02 0.11 0.03 0.07 -0.01 -0.01 -0.01 -0.07 -0.11 0.00 0.06 0.02 0.02 0.00 -0.00 -0.01 0.03 0.03 0.03 -0.02 -0.00 0.01 0.28 -0.13 -0.01 -0.05 -0.00 0.06 0.14 0.13 -0.23 0.00 0.01 -0.00 0.06 -0.06 -0.01 -0.01 0.00 0.00 0.05 -0.03 -0.07 0.01 0.00 -0.02 -0.10 0.12 0.17 -0.08 -0.17 0.15 -0.04 0.00 0.00 0.33 -0.08 0.20 0.29 0.01 -0.28 0.01 0.00 0.02 -0.10 0.13 -0.12 -0.10 -0.13 -0.14 0.00 -0.01 -0.00 0.09 0.11 0.01 -0.14 0.18 0.03 0.00 -0.00 -0.01 0.04 -0.00 0.06 -0.04 0.06 0.05 -0.01 -0.01 0.01 0.03 0.02 -0.11 0.10 0.06 0.00 0.01 0.00 0.01 -0.07 -0.02 0.04 -0.10 -0.04 -0.11 -0.01 0.01 0.01 0.15 -0.02 -0.09 -0.02 -0.14 -0.08 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 -0.02 -0.01 0.00 0.00 0.00 -0.03 -0.02 -0.03 -0.02 0.12 0.04 -0.01 -0.02 0.01 0.13 0.03 0.10 0.00 -0.00 0.00 -0.03 -0.04 0.00 0.03 0.01 0.01 -0.00 0.00 0.00 -0.02 -0.02 -0.03 0.04 -0.00 -0.02 -0.41 0.19 0.02 0.04 0.00 -0.06 -0.20 -0.19 0.35 0.00 0.00 -0.00 0.02 -0.02 -0.00 -0.00 0.00 0.00 0.02 -0.00 -0.04 0.01 0.00 -0.01 -0.08 0.06 0.09 -0.06 -0.09 0.07 -0.01 0.00 0.00 0.06 -0.02 0.04 0.05 -0.00 -0.05 0.00 -0.00 0.00 -0.06 0.05 -0.04 -0.04 -0.05 -0.05 0.00 -0.00 -0.00 0.03 0.03 0.00 -0.04 0.05 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.03 -0.01 0.02 0.09 0.09 -0.46 0.50 0.10 -0.02 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.01 -0.02 -0.00 -0.01 -0.00 -0.06 0.01 0.01 0.02 0.06 0.09 -0.00 -0.00 -0.01 -0.01 -0.00 0.09 0.02 0.04 0.02 -0.00 -0.00 -0.00 0.02 0.02 0.02 -0.01 0.00 0.03 0.00 0.02 -0.01 0.02 0.02 -0.03 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.04 -0.03 -0.03 -0.05 -0.01 0.03 -0.00 0.00 0.01 0.02 0.06 -0.07 0.69 0.48 0.49 0.08 -0.05 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 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 -0.02 -0.01 -0.00 0.00 -0.01 -0.00 -0.04 0.07 0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.02 0.00 0.01 -0.00 0.00 -0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.10 -0.01 0.09 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.06 0.05 -0.03 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.08 0.06 0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.02 0.02 -0.00 0.00 -0.00 0.01 0.00 -0.02 0.04 -0.01 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.00 0.16 0.12 0.01 0.00 0.00 0.01 0.04 -0.05 -0.03 -0.05 0.02 -0.08 0.01 0.00 -0.00 -0.12 -0.03 -0.04 0.01 -0.01 0.10 -0.04 -0.01 0.04 0.02 0.02 0.05 0.63 0.07 -0.58 0.00 -0.00 -0.00 0.03 0.07 0.04 -0.05 -0.01 0.02 0.01 0.02 0.00 -0.12 -0.36 -0.02 -0.00 0.01 -0.03 0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.00 0.00 -0.03 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 0.05 0.05 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.01 0.02 -0.04 -0.03 0.00 -0.00 -0.01 -0.05 -0.01 0.08 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.02 -0.04 0.02 0.02 0.02 0.00 0.03 -0.01 -0.00 -0.36 -0.25 -0.02 -0.00 0.00 0.00 0.02 -0.03 -0.02 0.01 -0.00 0.00 -0.02 -0.00 0.00 0.25 0.06 0.07 -0.01 0.02 -0.14 -0.02 -0.00 0.02 0.01 0.01 0.03 0.33 0.04 -0.31 -0.01 -0.00 0.00 0.01 0.01 0.01 0.17 0.02 -0.07 -0.01 -0.04 -0.00 0.21 0.63 0.03 0.00 -0.02 0.04 0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 0.03 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.01 -0.01 0.02 0.02 -0.00 0.00 -0.00 0.02 0.00 -0.02 0.05 -0.01 0.05 0.00 -0.00 0.00 -0.01 -0.03 -0.01 -0.04 0.07 -0.03 -0.04 -0.03 -0.00 -0.05 0.02 0.01 0.62 0.44 0.03 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.02 -0.01 0.03 -0.01 -0.00 0.00 0.15 0.04 0.04 -0.01 0.01 -0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.01 -0.03 0.02 0.00 -0.01 -0.00 -0.01 -0.01 -0.30 -0.04 0.12 -0.01 -0.03 -0.00 0.15 0.47 0.02 0.00 -0.02 0.03 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.03 0.05 0.02 -0.00 0.01 0.00 -0.19 0.12 0.02 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.02 0.01 -0.00 0.00 0.00 0.00 -0.08 -0.04 -0.05 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.04 0.03 -0.00 0.00 0.00 0.01 0.00 -0.02 0.02 -0.00 0.02 -0.00 -0.00 -0.01 0.03 0.08 0.05 0.03 -0.04 0.02 -0.02 -0.01 -0.00 -0.02 0.01 0.00 0.29 0.21 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.02 -0.19 -0.04 -0.05 -0.01 0.02 -0.19 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.05 -0.00 0.02 -0.04 -0.07 -0.04 0.76 0.11 -0.29 -0.00 -0.00 -0.00 0.01 0.05 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.00 0.00 0.00 0.08 -0.15 -0.06 0.00 -0.01 -0.00 0.66 -0.41 -0.06 0.01 -0.01 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.03 0.02 0.01 0.01 -0.05 0.04 -0.01 -0.04 0.03 0.00 -0.05 -0.03 0.00 -0.01 -0.01 -0.01 0.18 0.08 0.11 0.00 0.00 -0.00 -0.02 -0.09 0.04 -0.02 0.04 0.03 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.04 -0.03 0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.03 0.01 0.02 -0.45 -0.09 -0.12 0.00 0.02 -0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.10 0.01 -0.03 -0.00 -0.01 -0.00 0.05 0.16 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 0.00 0.02 0.00 0.00 0.00 -0.05 0.10 0.04 -0.00 0.00 0.00 0.40 -0.24 -0.04 0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.04 -0.03 -0.03 0.09 -0.07 0.03 -0.02 0.02 0.00 -0.03 -0.02 0.00 -0.00 -0.00 -0.00 0.07 0.03 0.03 -0.00 0.00 0.00 0.01 0.03 -0.02 0.03 -0.04 -0.04 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.11 0.08 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 -0.05 -0.01 -0.01 0.72 0.15 0.19 -0.02 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.26 0.04 -0.10 0.00 0.01 0.00 -0.08 -0.24 -0.00 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.01 0.03 -0.00 0.01 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.01 0.03 0.01 0.16 -0.10 -0.02 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.04 0.09 -0.13 0.01 0.00 0.01 -0.14 0.10 -0.03 -0.01 0.01 0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.12 -0.06 -0.07 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 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.04 -0.05 -0.01 -0.02 0.06 -0.07 0.66 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.01 -0.00 -0.01 -0.00 0.05 0.15 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.08 0.01 -0.03 0.00 -0.00 0.00 0.29 -0.53 -0.21 0.01 -0.03 -0.01 -0.13 0.08 0.02 0.00 -0.01 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.04 0.02 0.02 -0.09 0.07 -0.02 0.01 -0.01 -0.00 0.02 0.01 -0.00 -0.02 -0.01 -0.01 0.36 0.19 0.23 -0.00 0.00 0.00 0.00 0.02 -0.01 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.04 0.01 -0.04 -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 0.00 0.00 0.04 0.03 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.01 0.01 -0.01 0.06 -0.06 0.58 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.01 0.04 -0.02 -0.01 -0.00 0.07 0.17 0.10 0.24 0.04 -0.09 -0.00 -0.01 -0.00 0.03 0.09 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.02 -0.02 0.13 -0.01 0.06 0.00 0.00 0.00 -0.22 0.41 0.16 -0.01 0.02 0.01 -0.15 0.09 0.02 0.01 -0.02 -0.07 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.02 0.07 0.19 -0.26 -0.03 -0.02 -0.02 0.02 -0.02 0.01 0.01 -0.01 -0.00 0.02 0.01 -0.00 -0.04 -0.02 -0.02 0.60 0.31 0.37 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.03 0.01 0.01 -0.02 0.02 -0.21 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.00 -0.03 0.01 0.01 0.00 -0.05 -0.11 -0.07 -0.09 -0.01 0.03 0.00 0.00 0.00 -0.01 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.05 -0.04 0.05 0.01 0.03 0.01 0.00 0.01 0.18 -0.33 -0.13 -0.03 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.02 -0.10 -0.28 0.39 0.08 0.05 0.05 -0.05 0.05 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.13 0.23 0.07 0.02 -0.01 0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 0.00 -0.04 0.00 0.01 0.00 -0.05 -0.10 -0.06 -0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.03 0.02 0.09 0.49 -0.48 0.34 -0.02 0.15 0.04 0.02 0.09 0.05 -0.11 -0.05 -0.01 0.01 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.03 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.03 0.00 -0.02 -0.10 -0.33 0.46 0.06 0.04 0.04 -0.38 0.30 -0.09 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.14 0.07 0.08 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.03 -0.01 0.03 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.02 0.01 0.17 -0.29 -0.08 -0.06 0.03 -0.06 -0.00 -0.00 0.00 0.04 0.01 0.02 -0.01 0.01 -0.07 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.00 0.03 0.00 0.01 0.00 -0.05 -0.10 -0.06 -0.02 -0.00 0.01 0.00 0.00 0.00 -0.02 -0.05 -0.00 -0.00 0.00 -0.01 0.00 0.02 -0.02 -0.05 -0.30 0.29 0.09 0.00 0.04 -0.02 -0.01 -0.05 0.08 -0.14 -0.05 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.03 -0.02 -0.06 -0.11 0.17 -0.03 -0.02 -0.02 0.58 -0.43 0.11 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.02 0.02 -0.00 -0.00 0.00 0.01 0.06 -0.03 0.02 -0.05 -0.04 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.06 -0.02 0.07 0.00 -0.00 0.01 -0.02 -0.06 -0.04 -0.05 0.09 -0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.01 0.01 0.09 -0.16 -0.04 -0.09 0.04 -0.11 0.01 0.00 -0.01 -0.11 -0.02 -0.03 0.02 -0.02 0.21 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.01 0.02 0.01 -0.15 -0.30 -0.17 0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.03 0.08 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.03 -0.15 0.15 0.22 -0.01 0.10 -0.01 -0.00 -0.02 0.01 -0.03 -0.02 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.01 -0.05 -0.12 0.17 0.01 0.01 0.01 0.24 -0.18 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.07 0.03 0.04 0.00 0.00 -0.00 -0.01 -0.04 0.02 -0.02 0.04 0.03 0.01 -0.00 0.01 -0.04 -0.00 0.08 -0.17 0.07 -0.19 -0.01 0.00 -0.01 0.03 0.11 0.07 0.07 -0.14 0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 0.03 0.00 -0.00 0.01 0.01 0.12 -0.20 -0.05 -0.11 0.05 -0.12 0.00 -0.00 0.01 -0.04 -0.01 -0.01 -0.01 0.01 -0.10 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.05 -0.00 0.06 -0.02 -0.04 -0.02 0.30 0.59 0.33 -0.05 -0.02 0.01 -0.00 -0.00 -0.00 0.01 0.05 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.04 -0.04 0.02 0.00 0.01 0.00 0.00 0.01 0.12 -0.21 -0.08 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.00 0.00 -0.02 0.00 0.02 -0.00 0.01 -0.01 -0.06 -0.15 0.22 -0.05 -0.03 -0.03 0.11 -0.08 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.08 0.04 0.05 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.06 0.00 -0.09 -0.05 0.02 -0.06 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.03 -0.32 0.55 0.15 0.30 -0.12 0.35 0.00 0.00 -0.00 -0.03 -0.01 -0.01 0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 0.01 0.01 0.06 0.00 -0.06 -0.00 -0.01 -0.00 0.06 0.12 0.07 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.02 -0.01 -0.05 -0.29 0.29 -0.04 0.01 -0.02 -0.03 -0.01 -0.06 0.05 -0.09 -0.03 0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.03 0.04 0.00 0.00 0.00 -0.03 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.01 0.02 -0.01 0.01 0.03 0.05 0.27 -0.13 0.15 -0.35 -0.28 0.01 -0.00 0.00 -0.04 -0.00 0.07 -0.06 0.02 -0.07 0.02 -0.01 0.03 -0.11 -0.35 -0.22 -0.25 0.50 -0.24 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.08 -0.02 -0.02 -0.01 0.01 -0.07 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.07 0.15 0.08 0.09 0.01 -0.03 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.06 -0.06 -0.18 0.01 -0.08 0.00 0.00 0.01 0.03 -0.04 -0.01 -0.04 0.00 -0.02 -0.00 -0.00 -0.00 -0.01 0.01 0.03 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.01 0.02 0.06 0.16 -0.23 -0.02 -0.01 -0.01 -0.11 0.08 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.14 -0.07 -0.08 -0.00 0.00 0.01 0.01 0.06 -0.03 0.04 -0.10 -0.08 0.02 -0.00 -0.01 -0.15 -0.01 0.28 -0.16 0.07 -0.19 0.00 0.00 0.00 -0.01 -0.03 -0.02 -0.02 0.03 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.04 0.03 0.00 0.01 -0.01 0.00 -0.06 0.10 0.03 -0.04 0.02 -0.05 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.07 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.03 0.05 0.03 -0.02 -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 -0.01 -0.02 -0.17 0.17 0.69 -0.04 0.31 -0.01 -0.00 -0.03 -0.01 -0.00 -0.01 0.02 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.03 -0.08 0.11 -0.03 -0.02 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 0.03 0.03 0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.01 0.03 0.02 0.03 -0.00 -0.02 -0.30 -0.03 0.55 -0.15 0.06 -0.19 -0.00 0.00 -0.00 0.01 0.03 0.02 0.05 -0.09 0.05 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.06 0.04 0.00 0.03 -0.02 0.02 -0.15 0.27 0.09 -0.28 0.10 -0.34 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.05 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.08 -0.16 -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 0.00 0.00 -0.00 -0.01 -0.03 0.03 -0.33 0.02 -0.14 -0.01 -0.01 -0.01 -0.01 0.04 0.02 -0.00 0.00 -0.00 -0.05 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 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.02 -0.01 -0.03 -0.06 -0.36 0.16 -0.22 0.49 0.39 0.00 -0.00 0.00 -0.02 -0.00 0.03 -0.05 0.02 -0.05 0.02 0.01 0.02 -0.13 -0.39 -0.26 -0.15 0.30 -0.14 0.00 0.00 0.00 -0.01 0.01 0.00 -0.05 -0.03 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.08 0.02 0.02 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.03 0.06 0.03 0.06 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 -0.00 -0.01 0.01 0.05 -0.00 0.02 -0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.03 -0.02 -0.02 -0.03 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.07 0.03 0.02 -0.04 -0.03 -0.03 0.01 -0.02 0.09 0.01 -0.19 0.39 -0.15 0.44 0.00 -0.01 0.00 0.02 0.06 0.04 -0.05 0.10 -0.05 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.04 -0.03 -0.00 0.03 -0.03 0.02 -0.16 0.29 0.09 -0.35 0.13 -0.43 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.05 -0.00 0.05 -0.01 -0.01 -0.01 0.10 0.20 0.11 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.02 0.06 -0.00 -0.00 0.00 -0.02 0.00 0.01 -0.00 -0.01 -0.09 0.09 0.09 -0.00 0.04 -0.01 -0.01 -0.02 0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.01 0.11 0.52 -0.26 -0.08 0.15 0.14 -0.01 0.00 -0.00 0.02 0.00 -0.05 0.08 -0.03 0.09 -0.00 0.05 0.01 -0.16 -0.44 -0.31 0.22 -0.40 0.21 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.02 0.03 0.01 -0.05 0.02 -0.06 0.00 0.00 0.00 -0.03 -0.01 -0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.02 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 0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.01 0.03 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.02 0.02 -0.00 0.01 -0.06 -0.33 -0.02 0.55 0.40 -0.15 0.42 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.02 0.06 -0.11 -0.04 0.24 -0.09 0.29 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.03 -0.00 0.04 -0.00 -0.01 -0.00 0.06 0.13 0.07 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.02 -0.07 0.00 0.00 -0.01 0.03 -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 0.07 -0.04 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.06 -0.00 0.11 0.53 -0.28 -0.16 0.34 0.30 0.00 -0.00 0.00 -0.01 -0.00 0.02 -0.03 0.01 -0.03 0.00 -0.04 -0.01 0.13 0.36 0.26 -0.17 0.31 -0.17 0.00 0.00 -0.00 -0.02 0.02 0.00 -0.05 -0.03 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.05 -0.00 0.03 0.80 0.05 -0.59 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.04 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.02 -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.27 0.23 0.89 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.19 -0.16 0.02 0.01 -0.02 -0.06 0.08 0.03 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.01 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 -0.01 -0.00 0.00 0.00 0.00 0.04 -0.05 -0.00 -0.07 0.06 0.23 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 -0.05 -0.04 0.00 0.74 0.62 -0.06 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.01 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 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.01 -0.05 0.03 0.01 0.80 -0.58 -0.12 0.02 0.05 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 -0.02 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.06 -0.02 -0.05 -0.03 0.03 -0.37 0.92 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.02 -0.06 0.34 0.36 0.86 -0.05 -0.01 0.01 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 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.03 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 0.04 0.00 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 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 0.01 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 -0.01 -0.02 -0.01 -0.06 -0.03 -0.11 0.07 -0.01 -0.00 -0.01 0.39 0.31 0.85 -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 5846.36590 6884.36023 9609.92831 0.99998 0.00667 0.00115 -0.00667 0.99998 8.0E-4 -0.00115 -8.1E-4 1.0 asymmetric 1 0.01482 0.01258 0.00901 0.30869 0.26215 0.18780 1010387.5 32.61 59.54 60.17 72.65 85.56 91.62 97.65 102.65 109.33 111.63 117.02 121.62 127.19 135.39 148.60 150.00 213.49 240.15 247.02 253.46 255.05 263.94 270.38 277.16 288.07 296.53 307.33 309.03 329.05 330.50 343.08 369.54 394.66 398.46 402.82 439.06 447.86 453.95 458.86 464.57 472.67 479.54 485.37 496.14 506.98 535.47 613.50 654.86 678.12 698.11 705.24 722.72 732.72 771.86 784.99 828.51 835.99 857.35 873.91 918.74 939.58 972.80 997.03 1025.64 1034.29 1065.03 1069.26 1097.07 1122.44 1145.88 1163.33 1186.40 1203.25 1206.70 1255.54 1311.01 1380.53 1383.53 1414.52 1435.10 1489.98 1520.46 1577.23 1619.98 2365.02 2370.68 2380.40 2384.03 2389.60 2394.80 2399.02 2414.29 2441.87 2452.81 2471.30 2474.64 2488.21 2497.32 2515.97 4383.68 4518.03 4569.71 4624.46 4654.16 4733.42 4800.08 4857.89 4957.86 4995.16 5072.15 5114.07 5142.72 5146.20 5153.62 5184.09 5203.55 5205.56 5219.27 5228.93 5232.50 5276.88 5310.64 5564.34 5574.37 5577.44 5580.84 5584.50 5588.60 5602.10 0.384836 0.419557 0.420501 0.320074 -1146.787751 -1146.753031 -1146.752086 -1146.852514 263.276 120.958 211.367 0.000 0.000 0.000 0.889 2.981 42.680 0.889 2.981 34.313 261.499 114.997 134.373 1 0.593 1.985 6.386 2 0.594 1.981 5.192 3 0.594 1.980 5.171 4 0.595 1.977 4.798 5 0.597 1.974 4.475 6 0.597 1.972 4.340 7 0.598 1.970 4.214 8 0.598 1.968 4.116 9 0.599 1.965 3.992 10 0.599 1.964 3.951 11 0.600 1.962 3.858 12 0.601 1.960 3.783 13 0.601 1.957 3.695 14 0.603 1.953 3.573 15 0.605 1.947 3.391 16 0.605 1.946 3.373 17 0.618 1.904 2.693 18 0.624 1.883 2.470 19 0.626 1.877 2.417 20 0.628 1.872 2.369 21 0.628 1.870 2.357 22 0.631 1.862 2.293 23 0.633 1.856 2.248 24 0.635 1.850 2.202 25 0.638 1.840 2.131 26 0.641 1.831 2.078 27 0.644 1.820 2.013 28 0.645 1.818 2.003 29 0.651 1.797 1.889 30 0.652 1.796 1.881 31 0.656 1.782 1.814 32 0.666 1.751 1.683 33 0.677 1.721 1.569 34 0.678 1.716 1.552 35 0.680 1.711 1.534 36 0.696 1.664 1.388 37 0.700 1.652 1.356 38 0.703 1.644 1.333 39 0.705 1.637 1.316 40 0.708 1.630 1.295 41 0.712 1.619 1.267 42 0.715 1.609 1.244 43 0.718 1.601 1.225 44 0.723 1.586 1.190 45 0.729 1.570 1.156 46 0.744 1.529 1.071 47 0.788 1.413 0.870 48 0.813 1.350 0.780 49 0.828 1.314 0.734 50 0.841 1.283 0.696 51 0.846 1.272 0.683 52 0.858 1.245 0.652 53 0.864 1.229 0.635 54 0.891 1.169 0.573 55 0.901 1.149 0.553 56 0.932 1.084 0.493 57 0.938 1.072 0.483 58 0.954 1.041 0.457 59 0.966 1.016 0.437 0.614612e+30 29.788601 68.590789 0.500195e+15 14.699139 33.846018 0.100000e+01 0.000000 0.000000 0.174535e+09 8.241882 18.977634 0.704013e+07 6.847580 15.767137 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.7171 -1.2387 0.1088 1.4354 -83.0114 -102.7795 -96.2169 4.8155 3.2365 1.4246 10.9912 -8.7769 -2.2143 4.8155 3.2365 1.4246 9.3427 14.6701 -13.4948 57.8744 2.1192 -16.7136 -61.8348 -43.1658 30.8564 8.0317 -2732.2943 -2944.3178 -1000.3307 15.9871 -77.7859 94.5970 59.1500 96.3220 -24.6156 -972.0586 -732.3851 -500.9853 5.1268 30.4240 28.7933 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.1725877 5.207E-9 4.657E-6 0.3848363 0.4195571 -1146.7530306 -1146.7520864 -1146.8525138 5.5467269,-4.0748593,-1.4718676,-6.2754025,2.4137635,-2.4058808 C01 [X(H30O15)] 0.17773 -0.5320504 -0.0650947 -1.0333683 0.0736193 -0.0575975 0.0081 -0.869556 -0.0381598 -0.0406798 -0.0363508 -0.7856263 0.9563091 0.2024862 0.0229281 0.1882774 0.2846029 -0.0047509 0.0156409 -0.0032244 0.261029 0.2165298 0.0012561 0.065473 0.0259146 0.3788748 -0.0187949 0.0367547 0.0100346 0.2302176 -0.8335275 0.0673265 -0.160654 0.0974813 -0.9625517 -0.0224333 -0.2502188 0.0137998 -0.6622423 0.2790177 0.0104816 0.0193183 -0.0202475 0.2903518 0.0337862 0.0675506 0.0102436 0.2264489 -0.8789979 0.0707916 -0.0737611 0.0861492 -0.8351819 0.0206687 -0.1006124 0.0167542 -0.7836925 0.2626022 -0.0157152 -0.0470822 -0.03795 0.3551853 0.1263864 -0.0933645 0.1500337 0.6069586 0.6367894 -0.3714576 0.201819 -0.4023551 0.6572621 -0.1736199 0.2387033 -0.1901783 0.331188 0.6540808 0.1867649 0.0175188 0.2262882 0.3360923 0.0010988 0.0468723 0.0024103 0.2877331 -0.8955996 -0.1184719 -0.0086611 -0.1403097 -0.6954559 0.0208198 -0.0134829 0.0268284 -0.7004933 0.2941887 -0.0315168 -0.0016458 0.0207142 0.1923284 -0.0102302 0.0035652 -0.0152848 0.312476 -0.8556237 0.0224232 -0.1611464 -0.006743 -0.8613341 0.0611596 -0.1741126 0.0744638 -0.5175493 0.4319157 -0.2582083 0.1397711 -0.2588999 0.639585 -0.1292624 0.1930264 -0.1668528 0.3505181 -0.9094377 0.0763612 -0.1158327 0.0703457 -0.8496886 0.0464856 -0.0924074 0.0367352 -0.6127773 0.2658152 0.0217505 0.0694054 0.002179 0.5574333 0.1532487 0.0577733 0.1413517 0.3581625 0.3468267 0.1091 -0.0214972 0.1206327 0.4823918 -0.1742796 -0.0185913 -0.1533062 0.3519606 -0.8142159 0.1028074 -0.0103399 0.1141053 -0.8146932 0.0098871 -0.0218341 0.0304544 -0.721895 0.3817931 0.0518103 -0.1554259 0.0541393 0.3189267 -0.0039737 -0.2167311 -0.0081651 0.4706274 0.4427362 0.0457239 0.154634 0.0540671 0.306098 -0.0019941 0.2185537 -0.0096291 0.4311814 -0.9299663 0.0477986 0.108362 0.055172 -0.860868 -0.0446599 0.0953889 -0.0398465 -0.6097193 0.2706938 0.025997 -0.0679816 0.0099415 0.5791611 -0.1557332 -0.0596677 -0.1456251 0.3528878 0.344832 0.1149901 0.0298863 0.1271159 0.4936246 0.1829685 0.0266192 0.1666789 0.3634561 -0.7956659 0.1560014 -0.0160249 0.197656 -0.836012 0.0013088 -0.0241746 0.0006881 -0.7061564 0.2745136 -0.0155619 -0.0010823 -0.0734377 0.2069628 0.0029489 0.0024601 0.004457 0.310327 0.7018833 -0.4185344 0.0285115 -0.4275526 0.598343 -0.0212789 0.0320229 -0.0266377 0.2545485 -0.9701934 -0.0432605 0.0829408 -0.0483706 -0.7163382 -0.0552318 0.0852138 -0.0420595 -0.7564371 0.5266485 0.2264565 -0.0335084 0.2261605 0.5488312 -0.0294604 -0.0111997 -0.0206903 0.2102 0.4951526 -0.0467739 0.2057973 -0.0397445 0.2944834 0.0423799 0.2071472 0.0172749 0.4154922 -1.0423886 0.0637347 -0.0853526 0.0597473 -0.9579123 -0.0555246 -0.0891292 -0.0585459 -0.8091994 0.8657503 -0.2774297 0.0961833 -0.271252 0.3673904 -0.0554182 0.1401878 -0.0712424 0.2798971 0.2643115 0.0288507 0.0388205 0.0283119 0.2592241 0.0040213 0.0094047 0.041333 0.7666569 -0.8378601 -0.0469862 0.1720613 -0.0118484 -0.7471049 -0.0511083 0.1273804 -0.0120416 -0.8045591 0.2546233 0.0642957 -0.0533979 0.0394873 0.2681193 0.0443452 -0.0034615 0.009923 0.2676058 0.6164258 -0.0050043 -0.3926773 -0.0194008 0.2557501 0.0550686 -0.4229715 0.0444731 0.6723935 -1.0349227 0.0787672 -0.004801 0.0658168 -0.9263549 -0.0175134 0.008674 -0.0181061 -0.7851577 0.2524099 -0.1414027 0.0577986 -0.1085496 0.7300829 -0.0971848 0.0480456 -0.0939926 0.2842987 0.9439503 -0.2656282 -0.079462 -0.2878209 0.3245034 0.0677738 -0.0666841 0.0631188 0.2653874 -0.8015552 0.0404903 0.0194318 0.03349 -0.966383 -0.1646861 0.0201065 -0.0892853 -0.5931754 0.2831466 -0.0892875 -0.0351441 -0.0889904 1.0025999 0.2211895 -0.0325318 0.2034352 0.251936 0.3046898 0.0037509 -0.009343 0.0071614 0.2988527 0.0709393 -0.0064549 0.0094245 0.19448 -0.8459424 0.0075323 -0.0794854 -0.0081268 -0.5570548 -0.1764283 -0.0852227 -0.1478501 -0.7161857 0.3243694 0.0275006 0.033742 0.0581524 0.3414934 0.224071 0.0602612 0.2399532 0.6132981 0.6584505 -0.1672936 0.1514079 -0.1388627 0.3203481 0.0071285 0.1293818 -0.0096541 0.3332838 0.3360025 0.0442253 -0.0020079 0.072988 0.2158365 0.0875218 0.0039469 0.0357777 0.2588115 0.592807 0.3394386 -0.0418989 0.3408673 0.5517503 0.0165209 -0.0511487 0.0089217 0.2514042 143.1602249|-3.2855263|136.385153|2.3239721|0.401947|124.5077438 -0.000008070 0.000005015 -0.000005125 0.000011199 0.000008148 0.000005366 0.000004358 0.000003246 0.000001669 0.000001442 0.000008362 -0.000002411 0.000002434 -0.000003799 0.000001988 -0.000005812 -0.000001925 0.000003515 0.000001738 0.000001142 0.000002949 -0.000000911 0.000000042 -0.000001125 0.000001980 -0.000002145 -0.000004038 -0.000002124 -0.000014886 -0.000003158 -0.000002337 0.000003075 0.000000388 -0.000013320 -0.000004318 -0.000005169 0.000002489 0.000005881 -0.000000439 0.000004218 -0.000000869 -0.000006783 -0.000006356 0.000003489 0.000002813 -0.000002938 -0.000000104 0.000007389 0.000007910 -0.000003053 0.000000937 -0.000001068 0.000001031 -0.000010487 -0.000003763 0.000007886 0.000007804 0.000002446 -0.000004037 -0.000001147 -0.000003318 0.000004725 0.000004827 0.000000596 0.000001227 -0.000002659 -0.000001804 0.000008615 -0.000000138 -0.000001828 -0.000004475 -0.000000833 0.000007635 -0.000013492 0.000001849 -0.000001549 0.000000324 -0.000001186 0.000003346 0.000002618 0.000000255 -0.000004062 -0.000000689 -0.000000595 0.000002212 0.000000951 0.000004183 -0.000004296 0.000001112 0.000001453 -0.000001062 -0.000005945 -0.000009488 0.000001894 0.000010667 -0.000001164 -0.000001302 -0.000007149 -0.000000292 0.000004691 -0.000002638 -0.000002662 0.000002346 0.000007361 -0.000002121 -0.000002883 -0.000006289 0.000004373 -0.000002639 -0.000001362 0.000005326 -0.000001296 -0.000004724 0.000004399 -0.000000515 0.000005344 0.000001165 0.000003187 -0.000001333 -0.000002187 0.000004754 0.000003390 0.000000003 -0.000003757 -0.000004097 -0.000007903 0.000003548 -0.000004339 0.000004806 -0.000001650 0.000001843 0.000002732 0.000004238 -0.000003828 0.000000921 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:1.6007,2.0574,1.0277;-1.6066,3.4542,-.0377;.4235,4.2242,-.7994;3.7742,-.7602,-.4266;4.5724,-.9131,-.9423;2.263,1.095,-1.5166;2.0731,1.5925,-.6948;3.2352,-.0806,-.9331;1.3906,.7206,-1.755;-2.535,3.1091,-.0779;-3.1092,3.8788,-.0197;-.0007,4.012,.0378;.6307,3.4216,.5071;-2.6933,.924,-1.9112;-2.7345,1.7481,-1.3942;-3.2077,.2704,-1.4033;-1.9484,-2.9853,.0203;-1.3739,-3.0508,-.7642;-1.3258,-2.9336,.7684;-2.7236,.8815,1.6698;-2.7643,1.7211,1.177;-3.242,.2447,1.1444;-3.7512,-1.0262,-.1351;-4.6213,-1.4361,-.1406;-3.0916,-1.7709,-.0789;2.0268,-2.9464,-.043;2.6718,-2.225,-.1769;1.4685,-2.9673,-.8424;-.2331,-.1,-1.5325;-1.0967,.31,-1.7943;-.2449,-.0834,-.5467;.2148,-2.6019,1.8387;.3949,-3.0817,2.6522;.971,-2.7806,1.2105;-.2189,.0575,1.2231;-.0616,-.8216,1.6201;-1.1306,.3454,1.492;.0191,-2.6923,-2.0024;-.0865,-1.7024,-1.965;.002,-2.9504,-2.9287;3.9563,.862,1.8566;4.0038,.1977,1.1398;2.4284,1.844,1.5006;4.1829,.4071,2.6721;.9782,1.3217,1.231; 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 geom=check guess=readoutput=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:1.6007,2.0574,1.0277;-1.6066,3.4542,-.0377;.4235,4.2242,-.7994;3.7742,-.7602,-.4266;4.5724,-.9131,-.9423;2.263,1.095,-1.5166;2.0731,1.5925,-.6948;3.2352,-.0806,-.9331;1.3906,.7206,-1.755;-2.535,3.1091,-.0779;-3.1092,3.8788,-.0197;-.0007,4.012,.0378;.6307,3.4216,.5071;-2.6933,.924,-1.9112;-2.7345,1.7481,-1.3942;-3.2077,.2704,-1.4033;-1.9484,-2.9853,.0203;-1.3739,-3.0508,-.7642;-1.3258,-2.9336,.7684;-2.7236,.8815,1.6698;-2.7643,1.7211,1.177;-3.242,.2447,1.1444;-3.7512,-1.0262,-.1351;-4.6213,-1.4361,-.1406;-3.0916,-1.7709,-.0789;2.0268,-2.9464,-.043;2.6718,-2.225,-.1769;1.4685,-2.9673,-.8424;-.2331,-.1,-1.5325;-1.0967,.31,-1.7943;-.2449,-.0834,-.5467;.2148,-2.6019,1.8387;.3949,-3.0817,2.6522;.971,-2.7806,1.2105;-.2189,.0575,1.2231;-.0616,-.8216,1.6201;-1.1306,.3454,1.492;.0191,-2.6923,-2.0024;-.0865,-1.7024,-1.965;.002,-2.9504,-2.9287;3.9563,.862,1.8566;4.0038,.1977,1.1398;2.4284,1.844,1.5006;4.1829,.4071,2.6721;.9782,1.3217,1.231; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/gas/CONF17/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 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=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 15-agua/ CONF17 gas 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 1448.8469458968 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) -0.0481534016 0.000000 3.656918 0.000000 3.069080 2.300855 0.000000 3.844135 6.845768 6.017489 0.000000 4.640624 7.620438 6.604959 0.962598 0.000000 2.799701 4.767207 3.699997 2.629390 3.113786 0.000000 1.845662 4.175864 3.107738 2.915595 3.547611 0.979210 0.000000 3.329719 6.061280 5.143431 1.004427 1.575192 1.633344 2.050960 0.000000 3.094305 4.405060 3.758133 3.104683 3.667891 0.978810 1.532979 2.172594 0.000000 4.408226 0.991280 3.242867 7.409325 8.212181 5.398775 4.890317 6.648331 4.891591 0.000000 5.157335 1.561570 3.634101 8.310627 9.100573 6.233019 5.704334 7.534088 5.764861 0.962077 0.000000 2.713858 1.701687 0.962164 6.102372 6.791913 4.006149 3.269775 5.306873 3.997891 2.692816 3.111895 0.000000 1.753090 2.302851 1.547175 5.314216 6.035530 3.488967 2.621255 4.595996 3.604173 3.234372 3.804353 0.983533 0.000000 5.325402 3.330536 4.673460 6.846054 7.556718 4.974886 4.964368 6.092032 4.091924 2.856653 3.532900 4.536989 4.809845 0.000000 4.975433 2.454123 4.056739 7.042029 7.789525 5.041437 4.860680 6.260494 4.266401 1.903831 2.563076 3.827440 4.211825 0.973725 0.000000 5.676647 3.816427 5.402093 7.124809 7.883132 5.533665 5.489741 6.469591 4.633676 3.204304 3.865850 5.134358 5.321015 0.974552 1.551682 0.000000 6.248128 6.448785 7.633703 6.156147 6.909532 6.061876 6.135134 6.017931 5.294729 6.123307 6.961658 7.263304 6.923645 4.423544 5.002342 3.769865 0.000000 6.176793 6.549604 7.493830 5.644767 6.321428 5.566064 5.783362 5.485845 4.779969 6.305858 7.182315 7.239653 6.893998 4.342332 5.027730 3.847348 0.974530 0.000000 5.791513 6.444594 7.533375 5.671102 6.465170 5.859231 5.846329 5.642471 5.205772 6.220337 7.085959 7.108538 6.654722 4.891961 5.345985 4.303913 0.974657 1.537796 0.000000 4.527047 3.283575 5.212826 7.022112 7.954539 5.921495 5.394900 6.573208 5.355496 2.837598 3.462206 4.458388 4.365191 3.581292 3.184124 3.170447 4.274768 4.817573 4.161892 0.000000 4.380477 2.412389 4.509235 7.174908 8.078202 5.737676 5.188528 6.610004 5.182740 1.885202 2.491387 3.766114 3.855702 3.190158 2.571476 2.993200 4.914599 5.335962 4.888991 0.974325 0.000000 5.172106 3.791103 5.748841 7.259715 8.170625 6.173169 5.783523 6.809916 5.485747 3.193475 3.818282 5.091424 5.049364 3.177823 2.993607 2.548035 3.656460 4.241803 3.730255 0.974827 1.552037 0.000000 6.285214 4.968233 6.740618 7.535701 8.363438 6.525233 6.410452 7.095120 5.666899 4.310867 4.948254 6.283337 6.276699 2.842000 3.211851 1.893403 2.666835 3.185321 3.215107 2.820156 3.200551 1.873983 0.000000 7.230698 5.745829 7.610691 8.427474 9.243418 7.462799 7.368518 8.011862 6.587929 5.001585 5.527196 7.145921 7.183360 3.524534 3.907807 2.550467 3.093554 3.679907 3.732148 3.500062 3.892642 2.525681 0.961822 0.000000 6.156127 5.432159 6.986794 6.948462 7.760073 6.241149 6.194038 6.604172 5.395101 4.911608 5.650027 6.558131 6.415674 3.283014 3.773683 2.436048 1.670790 2.249105 2.277706 3.198197 3.725337 2.362544 0.996333 1.567094 0.000000 5.134749 7.359962 7.386471 2.824871 3.379865 4.308170 4.585704 3.235003 4.096686 7.581554 8.541813 7.248214 6.542452 6.383511 6.821565 6.292727 3.975877 3.477869 3.449426 6.336592 6.799131 6.273187 6.089393 6.818173 5.251783 0.000000 4.575642 7.111746 6.858137 1.850126 2.432943 3.603374 3.898685 2.342533 3.578920 7.454716 8.408396 6.788821 6.043022 6.458205 6.818751 6.503870 4.686522 4.170725 4.168571 6.493880 6.852410 6.543541 6.534077 7.335762 5.782145 0.976982 0.000000 5.363021 7.165134 7.267131 3.218731 3.723460 4.193810 4.602070 3.385615 3.799953 7.316749 8.276559 7.186367 6.583425 5.796981 6.340706 5.715278 3.524171 2.844700 3.225544 6.220754 6.631392 6.037617 5.613670 6.318438 4.775885 0.975276 1.562708 0.000000 3.817315 4.093090 4.434763 4.209134 4.909378 2.767401 2.980734 3.519733 1.832803 4.208702 5.137305 4.407794 4.160291 2.691602 3.113171 3.000430 3.698426 3.255660 3.810226 4.173819 4.131000 4.042044 3.897189 4.793683 3.616104 3.927795 3.846000 3.404835 0.000000 4.277067 3.637510 4.315275 5.171224 5.861820 3.461349 3.591871 4.433942 2.521285 3.584631 4.464942 4.273499 4.238220 1.714552 2.215976 2.147277 3.857061 3.526092 4.140183 3.869507 3.687913 3.638969 3.403643 4.266897 3.354443 4.840206 4.821232 4.269331 0.991240 0.000000 3.235401 3.824633 4.366440 4.077405 4.904218 2.935796 2.864228 3.501474 2.186650 3.956801 4.917432 4.144107 3.763281 2.978485 3.204798 3.104421 3.412345 3.182388 3.319861 3.462281 3.546058 3.456818 3.654113 4.598661 3.342177 3.689303 3.637351 3.367492 0.986094 1.561100 0.000000 4.928234 6.596602 7.321110 4.603512 5.438300 5.396341 5.240747 4.812739 5.033558 6.621969 7.516840 6.858121 6.183012 5.911904 6.170287 5.520383 2.851827 3.082245 1.904994 4.560372 5.291617 4.531537 4.701910 5.353930 3.911548 2.634906 3.200240 2.982205 4.222016 4.837172 3.499172 0.000000 5.522960 7.345737 8.080229 5.127115 5.922413 6.189792 5.988928 5.470627 5.905302 7.373179 8.238142 7.570497 6.852071 6.812246 7.035129 6.376724 3.525201 3.847172 2.555640 5.137832 5.934939 5.154185 5.402238 5.972419 4.618748 3.153610 3.731187 3.657553 5.176554 5.787914 4.430770 0.961441 0.000000 4.882151 6.861073 7.307912 3.823498 4.592594 4.911831 4.895756 4.124418 4.607432 6.974244 7.906267 6.961201 6.251233 6.074176 6.404979 5.796747 3.159349 3.077471 2.344009 5.222249 5.849659 5.187113 5.214193 5.908223 4.380306 1.647204 2.264075 2.120519 4.019858 4.780786 3.441018 0.999239 1.581495 0.000000 2.710840 3.879845 4.675947 4.397101 5.346752 3.839586 3.359801 4.074182 3.449601 4.045904 4.949875 4.134113 3.542890 4.086245 4.004584 3.984579 3.700858 3.865886 3.221602 2.674301 3.041171 3.029890 3.936583 4.844791 3.645652 3.958477 3.940280 4.032753 2.760228 3.152695 1.775601 2.763962 3.503352 3.077432 0.000000 3.376753 4.839171 5.616814 4.348044 5.296068 4.349233 3.967829 4.235138 3.984801 4.944788 5.836999 5.086335 4.441050 4.737352 4.778410 4.497946 3.286467 3.517998 2.604666 3.160546 3.737098 3.387924 4.090950 4.926318 3.601209 3.412055 3.559510 3.606826 3.238691 3.743008 2.296361 1.814903 2.526238 2.252058 0.977262 0.000000 3.256708 3.497314 4.765509 5.381413 6.327223 4.596727 4.074450 5.012220 4.128001 3.474896 4.322643 4.103064 3.679013 3.789265 3.587492 3.564172 3.732074 4.084633 3.363609 1.690156 2.158862 2.142199 3.375936 4.245560 3.285162 4.812626 4.883674 4.814446 3.186217 3.286715 2.263750 3.258398 3.926627 3.777280 0.993156 1.587761 0.000000 5.851757 6.654521 7.032005 4.507468 5.002274 4.428906 4.928366 4.278812 3.686544 6.624470 7.543031 7.007938 6.637195 4.521418 5.260197 4.421418 2.836914 1.897936 3.089413 5.812010 6.110165 5.400270 4.525220 5.155325 3.771657 2.816882 3.253983 1.876728 2.646610 3.209730 2.999246 3.847160 4.685935 3.352111 4.245292 4.077849 4.770842 0.000000 5.093029 5.711016 6.061610 4.261347 4.834692 3.680555 4.139273 3.837792 2.845495 5.719001 6.638612 6.055837 5.734224 3.700875 4.386792 3.734932 3.008988 2.217622 3.244008 5.180989 5.363147 4.839086 4.151633 4.895315 3.548676 3.115697 3.328501 2.297426 1.666192 2.258215 2.158246 3.920231 4.842796 3.516316 3.644069 3.691820 4.151510 0.996252 0.000000 6.579224 7.208592 7.495724 5.028548 5.383738 4.844684 5.469656 4.761447 4.096557 7.161050 8.048592 7.568015 7.266504 4.828160 5.649711 4.796116 3.535771 2.566774 3.928330 6.577072 6.806736 6.109153 5.058951 5.607264 4.368418 3.525131 3.902115 2.550136 3.182620 3.622730 3.735568 4.784788 5.596155 4.254409 5.131626 5.022639 5.629180 0.961651 1.579201 0.000000 2.768556 6.422928 5.553357 2.806728 3.371137 3.781614 3.254256 3.031661 4.432517 7.136446 7.908447 5.374811 4.408298 7.643136 7.491307 7.893102 7.282812 7.112674 6.594844 6.682525 6.809293 7.259727 8.181608 9.101985 7.768643 4.672875 3.913350 5.304495 5.473846 6.258397 4.931524 5.098844 5.373047 4.753713 4.298948 4.362809 5.126030 6.559561 6.125813 7.284902 0.000000 3.040672 6.593004 5.726420 1.850390 2.427455 3.300369 3.006506 2.228264 3.934800 7.260483 8.092580 5.639080 4.708731 7.395073 7.364050 7.647162 6.842019 6.564889 6.192565 6.782748 6.937499 7.245904 7.953846 8.871373 7.463610 3.897836 3.062202 4.513787 5.018092 5.885342 4.579815 4.762649 5.105473 4.251195 4.225828 4.218644 5.148537 5.839895 5.475488 6.517459 0.978436 0.000000 0.976841 4.608717 3.869768 3.508113 4.262168 3.113213 2.238207 3.205898 3.596986 5.359776 6.092360 3.569395 2.589978 6.222389 5.919801 6.532598 6.683491 6.598917 6.120085 5.243794 5.204189 5.902306 7.007224 7.946748 6.784714 5.048941 4.407877 5.436864 4.479116 5.063214 3.879768 4.977984 5.451937 4.857404 3.205707 3.649576 3.861573 6.217266 5.559864 6.963593 1.850843 2.307008 0.000000 3.477800 7.081388 6.383947 3.336377 3.867644 4.658845 4.146421 3.759427 5.243561 7.745520 8.513131 6.118605 5.137438 8.279816 8.135279 8.440914 7.492175 7.392083 6.717890 6.994904 7.226686 7.582124 8.537259 9.424567 8.076499 4.823538 4.162631 5.577292 6.118568 6.916122 5.496029 5.049200 5.149850 4.755360 4.647286 4.542241 5.443256 6.985357 6.646840 7.753756 0.960883 1.556846 2.552513 0.000000 0.984856 3.583039 3.585270 3.859940 4.757706 3.041591 2.231792 3.426886 3.073707 4.153353 4.980952 3.101517 2.248199 4.848834 4.566971 5.056389 5.346134 5.350933 4.861134 3.753599 3.764136 4.356302 5.454065 6.390762 5.276706 4.575984 4.174853 4.789068 3.335513 3.805450 2.574970 4.043193 4.663758 4.102367 1.741118 2.413806 2.338439 5.242881 4.526978 6.042071 3.077647 3.228909 1.564734 3.630886 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:-1.2127,2.4497,-.6939;2.2995,3.0418,.1351;.5561,4.1395,1.1595;-3.8104,.0183,.7611;-4.5758,-.0144,1.344;-1.847,1.4062,1.8254;-1.6253,1.9299,1.0283;-3.0962,.5194,1.2588;-1.0589,.8378,1.9429;3.1315,2.5093,.0523;3.8512,3.1451,-.0068;.8514,3.9253,.2692;.0698,3.5266,-.1752;2.9707,.1733,1.6887;3.1444,1.0167,1.2341;3.2867,-.521,1.0823;1.2376,-3.2925,-.4448;.7317,-3.3124,.3879;.5793,-3.0412,-1.1182;2.685,.4693,-1.8688;2.9478,1.2309,-1.3209;3.0967,-.3086,-1.4498;3.4272,-1.7744,-.3299;4.1856,-2.3545,-.4459;2.6201,-2.357,-.3734;-2.6152,-2.4358,.0339;-3.0756,-1.6125,.2882;-2.0084,-2.6487,.7671;.3244,-.2767,1.4915;1.2753,-.0819,1.6924;.2552,-.1684,.5138;-.9392,-2.2959,-1.9944;-1.2874,-2.6476,-2.8187;-1.6596,-2.3732,-1.3063;.1091,.144,-1.228;-.2675,-.6411,-1.6717;1.035,.2609,-1.5676;-.44,-2.7931,1.7877;-.127,-1.8477,1.8145;-.4,-3.1368,2.685;-3.8327,1.8544,-1.3616;-3.961,1.1488,-.696;-2.1042,2.4591,-1.0931;-4.2209,1.5368,-2.1812;-.7833,1.6239,-1.0158; 0.3086945 0.2621509 0.1877997 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 510 RedAO= T EigKep= 1.02D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 523 523 523 523 523 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.17258769493 -1147.17258769 1 1.143477868592e+03 -5.611437709565e+03 1.871988460782e+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. PT152.500S Thu Jul 18 09:27:19 2024 -19.14178 -19.14115 -19.14079 -19.13994 -19.13655 -19.13245 -19.13195 -19.12141 -19.12133 -19.12058 -19.11913 -19.11896 -19.11423 -19.11295 -19.11205 -1.03845 -1.03428 -1.03375 -1.02965 -1.02706 -1.02286 -1.01940 -1.01823 -1.01025 -1.00731 -1.00522 -1.00074 -0.99853 -0.99580 -0.98952 -0.56081 -0.55836 -0.55773 -0.55456 -0.55017 -0.54953 -0.54275 -0.53857 -0.53640 -0.53221 -0.53080 -0.52904 -0.52762 -0.52396 -0.52094 -0.45379 -0.44771 -0.44517 -0.43363 -0.43074 -0.42060 -0.41024 -0.40431 -0.39751 -0.39392 -0.39221 -0.38194 -0.37667 -0.37598 -0.35857 -0.34045 -0.33915 -0.33841 -0.33646 -0.33421 -0.33136 -0.32961 -0.32583 -0.32319 -0.32122 -0.31937 -0.31725 -0.31374 -0.31137 -0.30746 -0.01190 0.00966 0.01411 0.02543 0.03190 0.04186 0.04511 0.06727 0.07425 0.08618 0.09078 0.09263 0.09549 0.09711 0.11127 0.11311 0.11511 0.12368 0.13249 0.13476 0.13792 0.14374 0.14544 0.15037 0.15592 0.15944 0.16252 0.16601 0.17549 0.18083 0.18282 0.18526 0.19022 0.19366 0.19569 0.19971 0.20120 0.20932 0.21262 0.21641 0.22199 0.22552 0.22819 0.23447 0.23749 0.24177 0.24373 0.24454 0.24765 0.25129 0.25259 0.25931 0.26190 0.26475 0.26590 0.26937 0.27146 0.27344 0.27754 0.28253 0.28489 0.29030 0.29090 0.29424 0.29614 0.30115 0.30324 0.30668 0.30763 0.31318 0.32532 0.32996 0.33948 0.34596 0.35816 0.36328 0.37194 0.39467 0.40601 0.42801 0.43092 0.44374 0.44946 0.45110 0.46483 0.48237 0.48598 0.49312 0.49743 0.50640 0.52111 0.52937 0.53389 0.53721 0.54253 0.54708 0.55122 0.55327 0.56854 0.57425 0.58270 0.59041 0.59399 0.60036 0.60708 0.61235 0.62389 0.62945 0.63237 0.63582 0.64231 0.64783 0.66115 0.66402 0.66756 0.67193 0.68397 0.70316 0.71425 0.75586 0.92382 0.93170 0.94414 0.94962 0.95902 0.96593 0.97518 0.98089 0.98681 0.99469 1.00015 1.00367 1.00753 1.01207 1.02211 1.02596 1.03063 1.03762 1.04813 1.05176 1.05464 1.05755 1.06335 1.06896 1.06998 1.07457 1.07690 1.08159 1.08758 1.09007 1.09374 1.09928 1.10466 1.10787 1.11886 1.12231 1.12828 1.13544 1.14364 1.14642 1.15353 1.17535 1.18621 1.21357 1.22846 1.23502 1.24901 1.25351 1.27195 1.27554 1.28420 1.29043 1.29478 1.29900 1.30692 1.31076 1.31686 1.32818 1.33293 1.34213 1.34460 1.34815 1.35443 1.36022 1.37442 1.37679 1.39022 1.39797 1.40454 1.41412 1.42870 1.43696 1.44276 1.45604 1.45918 1.46261 1.47180 1.47795 1.48524 1.49576 1.50076 1.50754 1.51702 1.52165 1.53313 1.53864 1.55590 1.57018 1.57564 1.58661 1.59676 1.59888 1.60842 1.61612 1.63225 1.63412 1.65142 1.65465 1.66694 1.67887 1.69634 1.70746 1.71205 1.71992 1.72661 1.73797 1.74073 1.75832 1.76312 1.76586 1.77283 1.77755 1.78593 1.80335 1.80752 1.81828 1.83541 1.84882 1.86110 1.91421 2.00277 2.01699 2.02523 2.02796 2.03585 2.04653 2.04790 2.15689 2.18379 2.22668 2.23331 2.24360 2.26059 2.26545 2.27608 2.29969 2.31097 2.31717 2.32874 2.33336 2.34245 2.34784 2.35581 2.37810 2.38457 2.39554 2.41598 2.42759 2.44488 2.46993 2.48814 2.50782 2.51177 2.51503 2.52379 2.54225 2.55614 2.61069 2.64680 2.65458 2.66546 2.67628 2.68582 2.70350 2.71426 2.71926 2.72285 2.73268 2.73523 2.74497 2.78427 2.78976 2.80901 2.82451 2.83384 2.83610 2.85058 2.89029 2.92786 2.94446 3.05136 3.06956 3.07689 3.07958 3.08490 3.08737 3.09456 3.10901 3.11104 3.11369 3.12289 3.12420 3.12796 3.13370 3.13542 3.13928 3.14175 3.14610 3.15186 3.16264 3.16853 3.17435 3.17918 3.18918 3.19601 3.20067 3.20538 3.21868 3.22727 3.23161 3.29348 3.29876 3.30310 3.30571 3.30822 3.31103 3.31802 3.31943 3.32645 3.33369 3.34516 3.36359 3.36880 3.38048 3.38188 3.66230 3.68453 3.68930 3.69131 3.71134 3.71368 3.72268 3.72509 3.73624 3.74530 3.75687 3.76784 3.78157 3.79239 3.80093 3.89621 3.89829 3.90346 3.90475 3.90928 3.91315 3.92118 3.92860 3.93092 3.93990 3.94580 3.95487 3.96997 3.98293 3.98957 4.97171 4.99223 4.99730 5.00469 5.00641 5.01506 5.02455 5.02684 5.03077 5.04646 5.05589 5.06998 5.10081 5.12966 5.20023 5.36709 5.38187 5.38818 5.39721 5.41401 5.41816 5.43298 5.44318 5.44888 5.45751 5.48398 5.49723 5.52923 5.54073 5.54619 5.63753 5.65035 5.65710 5.66006 5.66399 5.66898 5.66957 5.67346 5.68395 5.69927 5.71797 5.73698 5.75015 5.75419 5.78001 49.87255 49.88086 49.88640 49.89843 49.90109 49.90914 49.91766 49.92620 49.93127 49.93954 49.95002 49.95447 49.96173 49.97423 49.99473 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 -0.830776 0.431939 0.258764 -0.732724 0.282751 -0.661547 0.337482 0.403504 0.356019 -0.755188 0.299728 -0.649210 0.394119 -0.673362 0.351338 0.340940 -0.633532 0.345175 0.342773 -0.640226 0.337385 0.339067 -0.747616 0.306158 0.398188 -0.668445 0.391537 0.338531 -0.847704 0.479385 0.391793 -0.752153 0.307712 0.380498 -0.840981 0.405896 0.440246 -0.759781 0.405835 0.305006 -0.653516 0.364845 0.439684 0.273297 0.397168 0.00000 -0.7171 -1.2386 0.1088 1.4354 -83.0114 -102.7795 -96.2169 4.8155 3.2365 1.4246 10.9912 -8.7769 -2.2142 4.8155 3.2365 1.4246 9.3430 14.6702 -13.4948 57.8744 2.1192 -16.7137 -61.8347 -43.1658 30.8565 8.0317 -2732.2955 -2944.3167 -1000.3308 15.9878 -77.7856 94.5971 59.1503 96.3222 -24.6156 -972.0587 -732.3854 -500.9850 5.1268 30.4241 28.7935 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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/ CONF17 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.1725877 RMSD=8.522e-09 Dipole=0.1777319,-0.5320496,-0.0650945 Quadrupole=5.5467277,-4.0748725,-1.4718552,-6.2753976,2.4137643,-2.4058876 PG=C01 [X(H30O15)] 0 1.6007204775 2.0573557503 1.0277086272 0 -1.6065660632 3.4541982159 -0.0377451494 0 0.4234591005 4.2241698691 -0.799371869 0 3.7741538515 -0.7602084752 -0.4265579422 0 4.5724159651 -0.9130675558 -0.9423168203 0 2.2629786875 1.0950013182 -1.5166208335 0 2.0731218758 1.5924924747 -0.6948492071 0 3.235193498 -0.0806131164 -0.9330609205 0 1.3905922939 0.7206119043 -1.755039023 0 -2.5349672979 3.1090982107 -0.0779053328 0 -3.1091866253 3.878825433 -0.0197291765 0 -0.0006747464 4.0120007563 0.0377987728 0 0.6306770159 3.4216348632 0.5070539705 0 -2.6932901761 0.9240115055 -1.9111531947 0 -2.7344731805 1.7481187041 -1.3941512284 0 -3.2077289022 0.270396785 -1.4033224248 0 -1.9484001253 -2.9852586104 0.0202931824 0 -1.3738971497 -3.0508394606 -0.7641520756 0 -1.3258235442 -2.9336089538 0.7684148461 0 -2.7235541734 0.8815283537 1.6697590151 0 -2.7642774839 1.7210809787 1.1770094521 0 -3.2419548252 0.2447419973 1.1443534815 0 -3.7512085183 -1.0262446415 -0.1351251409 0 -4.6213015002 -1.4361336238 -0.1406082773 0 -3.0916185511 -1.77086443 -0.078898389 0 2.0267828116 -2.9464104288 -0.0430095708 0 2.6718351892 -2.224962584 -0.1768509284 0 1.4684984245 -2.9672992623 -0.8424123919 0 -0.2330567918 -0.1000138905 -1.5325469641 0 -1.096722422 0.3100006515 -1.7943221478 0 -0.2448942828 -0.0834092902 -0.5466636471 0 0.2147979616 -2.6019389672 1.8386868026 0 0.3948996357 -3.0817360637 2.6521525248 0 0.9710348185 -2.7805667006 1.2104546483 0 -0.2188841234 0.0574818074 1.2231473537 0 -0.0615974833 -0.8215770063 1.6200817747 0 -1.1305569167 0.3454333745 1.4920273217 0 0.0190575325 -2.6923480373 -2.0024261224 0 -0.086472139 -1.7024072804 -1.965033819 0 0.0020338766 -2.9503995166 -2.9286505106 0 3.9563286146 0.8619952612 1.8566386718 0 4.0037953462 0.1976945681 1.1398487941 0 2.4283857912 1.8439658072 1.5006277211 0 4.1828800575 0.4070692937 2.6721222144 0 0.9782270038 1.321742236 1.2309740024 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 geom=check guess=readpop=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:1.6007,2.0574,1.0277;-1.6066,3.4542,-.0377;.4235,4.2242,-.7994;3.7742,-.7602,-.4266;4.5724,-.9131,-.9423;2.263,1.095,-1.5166;2.0731,1.5925,-.6948;3.2352,-.0806,-.9331;1.3906,.7206,-1.755;-2.535,3.1091,-.0779;-3.1092,3.8788,-.0197;-.0007,4.012,.0378;.6307,3.4216,.5071;-2.6933,.924,-1.9112;-2.7345,1.7481,-1.3942;-3.2077,.2704,-1.4033;-1.9484,-2.9853,.0203;-1.3739,-3.0508,-.7642;-1.3258,-2.9336,.7684;-2.7236,.8815,1.6698;-2.7643,1.7211,1.177;-3.242,.2447,1.1444;-3.7512,-1.0262,-.1351;-4.6213,-1.4361,-.1406;-3.0916,-1.7709,-.0789;2.0268,-2.9464,-.043;2.6718,-2.225,-.1769;1.4685,-2.9673,-.8424;-.2331,-.1,-1.5325;-1.0967,.31,-1.7943;-.2449,-.0834,-.5467;.2148,-2.6019,1.8387;.3949,-3.0817,2.6522;.971,-2.7806,1.2105;-.2189,.0575,1.2231;-.0616,-.8216,1.6201;-1.1306,.3454,1.492;.0191,-2.6923,-2.0024;-.0865,-1.7024,-1.965;.002,-2.9504,-2.9287;3.9563,.862,1.8566;4.0038,.1977,1.1398;2.4284,1.844,1.5006;4.1829,.4071,2.6721;.9782,1.3217,1.231; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/gas/CONF17/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 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=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 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/ CONF17 gas 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 1448.8469458968 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) -0.0481534016 0.000000 3.656918 0.000000 3.069080 2.300855 0.000000 3.844135 6.845768 6.017489 0.000000 4.640624 7.620438 6.604959 0.962598 0.000000 2.799701 4.767207 3.699997 2.629390 3.113786 0.000000 1.845662 4.175864 3.107738 2.915595 3.547611 0.979210 0.000000 3.329719 6.061280 5.143431 1.004427 1.575192 1.633344 2.050960 0.000000 3.094305 4.405060 3.758133 3.104683 3.667891 0.978810 1.532979 2.172594 0.000000 4.408226 0.991280 3.242867 7.409325 8.212181 5.398775 4.890317 6.648331 4.891591 0.000000 5.157335 1.561570 3.634101 8.310627 9.100573 6.233019 5.704334 7.534088 5.764861 0.962077 0.000000 2.713858 1.701687 0.962164 6.102372 6.791913 4.006149 3.269775 5.306873 3.997891 2.692816 3.111895 0.000000 1.753090 2.302851 1.547175 5.314216 6.035530 3.488967 2.621255 4.595996 3.604173 3.234372 3.804353 0.983533 0.000000 5.325402 3.330536 4.673460 6.846054 7.556718 4.974886 4.964368 6.092032 4.091924 2.856653 3.532900 4.536989 4.809845 0.000000 4.975433 2.454123 4.056739 7.042029 7.789525 5.041437 4.860680 6.260494 4.266401 1.903831 2.563076 3.827440 4.211825 0.973725 0.000000 5.676647 3.816427 5.402093 7.124809 7.883132 5.533665 5.489741 6.469591 4.633676 3.204304 3.865850 5.134358 5.321015 0.974552 1.551682 0.000000 6.248128 6.448785 7.633703 6.156147 6.909532 6.061876 6.135134 6.017931 5.294729 6.123307 6.961658 7.263304 6.923645 4.423544 5.002342 3.769865 0.000000 6.176793 6.549604 7.493830 5.644767 6.321428 5.566064 5.783362 5.485845 4.779969 6.305858 7.182315 7.239653 6.893998 4.342332 5.027730 3.847348 0.974530 0.000000 5.791513 6.444594 7.533375 5.671102 6.465170 5.859231 5.846329 5.642471 5.205772 6.220337 7.085959 7.108538 6.654722 4.891961 5.345985 4.303913 0.974657 1.537796 0.000000 4.527047 3.283575 5.212826 7.022112 7.954539 5.921495 5.394900 6.573208 5.355496 2.837598 3.462206 4.458388 4.365191 3.581292 3.184124 3.170447 4.274768 4.817573 4.161892 0.000000 4.380477 2.412389 4.509235 7.174908 8.078202 5.737676 5.188528 6.610004 5.182740 1.885202 2.491387 3.766114 3.855702 3.190158 2.571476 2.993200 4.914599 5.335962 4.888991 0.974325 0.000000 5.172106 3.791103 5.748841 7.259715 8.170625 6.173169 5.783523 6.809916 5.485747 3.193475 3.818282 5.091424 5.049364 3.177823 2.993607 2.548035 3.656460 4.241803 3.730255 0.974827 1.552037 0.000000 6.285214 4.968233 6.740618 7.535701 8.363438 6.525233 6.410452 7.095120 5.666899 4.310867 4.948254 6.283337 6.276699 2.842000 3.211851 1.893403 2.666835 3.185321 3.215107 2.820156 3.200551 1.873983 0.000000 7.230698 5.745829 7.610691 8.427474 9.243418 7.462799 7.368518 8.011862 6.587929 5.001585 5.527196 7.145921 7.183360 3.524534 3.907807 2.550467 3.093554 3.679907 3.732148 3.500062 3.892642 2.525681 0.961822 0.000000 6.156127 5.432159 6.986794 6.948462 7.760073 6.241149 6.194038 6.604172 5.395101 4.911608 5.650027 6.558131 6.415674 3.283014 3.773683 2.436048 1.670790 2.249105 2.277706 3.198197 3.725337 2.362544 0.996333 1.567094 0.000000 5.134749 7.359962 7.386471 2.824871 3.379865 4.308170 4.585704 3.235003 4.096686 7.581554 8.541813 7.248214 6.542452 6.383511 6.821565 6.292727 3.975877 3.477869 3.449426 6.336592 6.799131 6.273187 6.089393 6.818173 5.251783 0.000000 4.575642 7.111746 6.858137 1.850126 2.432943 3.603374 3.898685 2.342533 3.578920 7.454716 8.408396 6.788821 6.043022 6.458205 6.818751 6.503870 4.686522 4.170725 4.168571 6.493880 6.852410 6.543541 6.534077 7.335762 5.782145 0.976982 0.000000 5.363021 7.165134 7.267131 3.218731 3.723460 4.193810 4.602070 3.385615 3.799953 7.316749 8.276559 7.186367 6.583425 5.796981 6.340706 5.715278 3.524171 2.844700 3.225544 6.220754 6.631392 6.037617 5.613670 6.318438 4.775885 0.975276 1.562708 0.000000 3.817315 4.093090 4.434763 4.209134 4.909378 2.767401 2.980734 3.519733 1.832803 4.208702 5.137305 4.407794 4.160291 2.691602 3.113171 3.000430 3.698426 3.255660 3.810226 4.173819 4.131000 4.042044 3.897189 4.793683 3.616104 3.927795 3.846000 3.404835 0.000000 4.277067 3.637510 4.315275 5.171224 5.861820 3.461349 3.591871 4.433942 2.521285 3.584631 4.464942 4.273499 4.238220 1.714552 2.215976 2.147277 3.857061 3.526092 4.140183 3.869507 3.687913 3.638969 3.403643 4.266897 3.354443 4.840206 4.821232 4.269331 0.991240 0.000000 3.235401 3.824633 4.366440 4.077405 4.904218 2.935796 2.864228 3.501474 2.186650 3.956801 4.917432 4.144107 3.763281 2.978485 3.204798 3.104421 3.412345 3.182388 3.319861 3.462281 3.546058 3.456818 3.654113 4.598661 3.342177 3.689303 3.637351 3.367492 0.986094 1.561100 0.000000 4.928234 6.596602 7.321110 4.603512 5.438300 5.396341 5.240747 4.812739 5.033558 6.621969 7.516840 6.858121 6.183012 5.911904 6.170287 5.520383 2.851827 3.082245 1.904994 4.560372 5.291617 4.531537 4.701910 5.353930 3.911548 2.634906 3.200240 2.982205 4.222016 4.837172 3.499172 0.000000 5.522960 7.345737 8.080229 5.127115 5.922413 6.189792 5.988928 5.470627 5.905302 7.373179 8.238142 7.570497 6.852071 6.812246 7.035129 6.376724 3.525201 3.847172 2.555640 5.137832 5.934939 5.154185 5.402238 5.972419 4.618748 3.153610 3.731187 3.657553 5.176554 5.787914 4.430770 0.961441 0.000000 4.882151 6.861073 7.307912 3.823498 4.592594 4.911831 4.895756 4.124418 4.607432 6.974244 7.906267 6.961201 6.251233 6.074176 6.404979 5.796747 3.159349 3.077471 2.344009 5.222249 5.849659 5.187113 5.214193 5.908223 4.380306 1.647204 2.264075 2.120519 4.019858 4.780786 3.441018 0.999239 1.581495 0.000000 2.710840 3.879845 4.675947 4.397101 5.346752 3.839586 3.359801 4.074182 3.449601 4.045904 4.949875 4.134113 3.542890 4.086245 4.004584 3.984579 3.700858 3.865886 3.221602 2.674301 3.041171 3.029890 3.936583 4.844791 3.645652 3.958477 3.940280 4.032753 2.760228 3.152695 1.775601 2.763962 3.503352 3.077432 0.000000 3.376753 4.839171 5.616814 4.348044 5.296068 4.349233 3.967829 4.235138 3.984801 4.944788 5.836999 5.086335 4.441050 4.737352 4.778410 4.497946 3.286467 3.517998 2.604666 3.160546 3.737098 3.387924 4.090950 4.926318 3.601209 3.412055 3.559510 3.606826 3.238691 3.743008 2.296361 1.814903 2.526238 2.252058 0.977262 0.000000 3.256708 3.497314 4.765509 5.381413 6.327223 4.596727 4.074450 5.012220 4.128001 3.474896 4.322643 4.103064 3.679013 3.789265 3.587492 3.564172 3.732074 4.084633 3.363609 1.690156 2.158862 2.142199 3.375936 4.245560 3.285162 4.812626 4.883674 4.814446 3.186217 3.286715 2.263750 3.258398 3.926627 3.777280 0.993156 1.587761 0.000000 5.851757 6.654521 7.032005 4.507468 5.002274 4.428906 4.928366 4.278812 3.686544 6.624470 7.543031 7.007938 6.637195 4.521418 5.260197 4.421418 2.836914 1.897936 3.089413 5.812010 6.110165 5.400270 4.525220 5.155325 3.771657 2.816882 3.253983 1.876728 2.646610 3.209730 2.999246 3.847160 4.685935 3.352111 4.245292 4.077849 4.770842 0.000000 5.093029 5.711016 6.061610 4.261347 4.834692 3.680555 4.139273 3.837792 2.845495 5.719001 6.638612 6.055837 5.734224 3.700875 4.386792 3.734932 3.008988 2.217622 3.244008 5.180989 5.363147 4.839086 4.151633 4.895315 3.548676 3.115697 3.328501 2.297426 1.666192 2.258215 2.158246 3.920231 4.842796 3.516316 3.644069 3.691820 4.151510 0.996252 0.000000 6.579224 7.208592 7.495724 5.028548 5.383738 4.844684 5.469656 4.761447 4.096557 7.161050 8.048592 7.568015 7.266504 4.828160 5.649711 4.796116 3.535771 2.566774 3.928330 6.577072 6.806736 6.109153 5.058951 5.607264 4.368418 3.525131 3.902115 2.550136 3.182620 3.622730 3.735568 4.784788 5.596155 4.254409 5.131626 5.022639 5.629180 0.961651 1.579201 0.000000 2.768556 6.422928 5.553357 2.806728 3.371137 3.781614 3.254256 3.031661 4.432517 7.136446 7.908447 5.374811 4.408298 7.643136 7.491307 7.893102 7.282812 7.112674 6.594844 6.682525 6.809293 7.259727 8.181608 9.101985 7.768643 4.672875 3.913350 5.304495 5.473846 6.258397 4.931524 5.098844 5.373047 4.753713 4.298948 4.362809 5.126030 6.559561 6.125813 7.284902 0.000000 3.040672 6.593004 5.726420 1.850390 2.427455 3.300369 3.006506 2.228264 3.934800 7.260483 8.092580 5.639080 4.708731 7.395073 7.364050 7.647162 6.842019 6.564889 6.192565 6.782748 6.937499 7.245904 7.953846 8.871373 7.463610 3.897836 3.062202 4.513787 5.018092 5.885342 4.579815 4.762649 5.105473 4.251195 4.225828 4.218644 5.148537 5.839895 5.475488 6.517459 0.978436 0.000000 0.976841 4.608717 3.869768 3.508113 4.262168 3.113213 2.238207 3.205898 3.596986 5.359776 6.092360 3.569395 2.589978 6.222389 5.919801 6.532598 6.683491 6.598917 6.120085 5.243794 5.204189 5.902306 7.007224 7.946748 6.784714 5.048941 4.407877 5.436864 4.479116 5.063214 3.879768 4.977984 5.451937 4.857404 3.205707 3.649576 3.861573 6.217266 5.559864 6.963593 1.850843 2.307008 0.000000 3.477800 7.081388 6.383947 3.336377 3.867644 4.658845 4.146421 3.759427 5.243561 7.745520 8.513131 6.118605 5.137438 8.279816 8.135279 8.440914 7.492175 7.392083 6.717890 6.994904 7.226686 7.582124 8.537259 9.424567 8.076499 4.823538 4.162631 5.577292 6.118568 6.916122 5.496029 5.049200 5.149850 4.755360 4.647286 4.542241 5.443256 6.985357 6.646840 7.753756 0.960883 1.556846 2.552513 0.000000 0.984856 3.583039 3.585270 3.859940 4.757706 3.041591 2.231792 3.426886 3.073707 4.153353 4.980952 3.101517 2.248199 4.848834 4.566971 5.056389 5.346134 5.350933 4.861134 3.753599 3.764136 4.356302 5.454065 6.390762 5.276706 4.575984 4.174853 4.789068 3.335513 3.805450 2.574970 4.043193 4.663758 4.102367 1.741118 2.413806 2.338439 5.242881 4.526978 6.042071 3.077647 3.228909 1.564734 3.630886 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:-1.2127,2.4497,-.6939;2.2995,3.0418,.1351;.5561,4.1395,1.1595;-3.8104,.0183,.7611;-4.5758,-.0144,1.344;-1.847,1.4062,1.8254;-1.6253,1.9299,1.0283;-3.0962,.5194,1.2588;-1.0589,.8378,1.9429;3.1315,2.5093,.0523;3.8512,3.1451,-.0068;.8514,3.9253,.2692;.0698,3.5266,-.1752;2.9707,.1733,1.6887;3.1444,1.0167,1.2341;3.2867,-.521,1.0823;1.2376,-3.2925,-.4448;.7317,-3.3124,.3879;.5793,-3.0412,-1.1182;2.685,.4693,-1.8688;2.9478,1.2309,-1.3209;3.0967,-.3086,-1.4498;3.4272,-1.7744,-.3299;4.1856,-2.3545,-.4459;2.6201,-2.357,-.3734;-2.6152,-2.4358,.0339;-3.0756,-1.6125,.2882;-2.0084,-2.6487,.7671;.3244,-.2767,1.4915;1.2753,-.0819,1.6924;.2552,-.1684,.5138;-.9392,-2.2959,-1.9944;-1.2874,-2.6476,-2.8187;-1.6596,-2.3732,-1.3063;.1091,.144,-1.228;-.2675,-.6411,-1.6717;1.035,.2609,-1.5676;-.44,-2.7931,1.7877;-.127,-1.8477,1.8145;-.4,-3.1368,2.685;-3.8327,1.8544,-1.3616;-3.961,1.1488,-.696;-2.1042,2.4591,-1.0931;-4.2209,1.5368,-2.1812;-.7833,1.6239,-1.0158; 0.3086945 0.2621509 0.1877997 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 510 RedAO= T EigKep= 1.02D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 523 523 523 523 523 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.17258769493 -1147.17258769 1 1.143477868592e+03 -5.611437709565e+03 1.871988460782e+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. PT15777.600S Thu Jul 18 09:45:04 2024 -19.14178 -19.14115 -19.14079 -19.13994 -19.13655 -19.13245 -19.13195 -19.12141 -19.12133 -19.12058 -19.11913 -19.11896 -19.11423 -19.11295 -19.11205 -1.03845 -1.03428 -1.03375 -1.02965 -1.02706 -1.02286 -1.01940 -1.01823 -1.01025 -1.00731 -1.00522 -1.00074 -0.99853 -0.99580 -0.98952 -0.56081 -0.55836 -0.55773 -0.55456 -0.55017 -0.54953 -0.54275 -0.53857 -0.53640 -0.53221 -0.53080 -0.52904 -0.52762 -0.52396 -0.52094 -0.45379 -0.44771 -0.44517 -0.43363 -0.43074 -0.42060 -0.41024 -0.40431 -0.39751 -0.39392 -0.39221 -0.38194 -0.37667 -0.37598 -0.35857 -0.34045 -0.33915 -0.33841 -0.33646 -0.33421 -0.33136 -0.32961 -0.32583 -0.32319 -0.32122 -0.31937 -0.31725 -0.31374 -0.31137 -0.30746 -0.01190 0.00966 0.01411 0.02543 0.03190 0.04186 0.04511 0.06727 0.07425 0.08618 0.09078 0.09263 0.09549 0.09711 0.11127 0.11311 0.11511 0.12368 0.13249 0.13476 0.13792 0.14374 0.14544 0.15037 0.15592 0.15944 0.16252 0.16601 0.17549 0.18083 0.18282 0.18526 0.19022 0.19366 0.19569 0.19971 0.20120 0.20932 0.21262 0.21641 0.22199 0.22552 0.22819 0.23447 0.23749 0.24177 0.24373 0.24454 0.24765 0.25129 0.25259 0.25931 0.26190 0.26475 0.26590 0.26937 0.27146 0.27344 0.27754 0.28253 0.28489 0.29030 0.29090 0.29424 0.29614 0.30115 0.30324 0.30668 0.30763 0.31318 0.32532 0.32996 0.33948 0.34596 0.35816 0.36328 0.37194 0.39467 0.40601 0.42801 0.43092 0.44374 0.44946 0.45110 0.46483 0.48237 0.48598 0.49312 0.49743 0.50640 0.52111 0.52937 0.53389 0.53721 0.54253 0.54708 0.55122 0.55327 0.56854 0.57425 0.58270 0.59041 0.59399 0.60036 0.60708 0.61235 0.62389 0.62945 0.63237 0.63582 0.64231 0.64783 0.66115 0.66402 0.66756 0.67193 0.68397 0.70316 0.71425 0.75586 0.92382 0.93170 0.94414 0.94962 0.95902 0.96593 0.97518 0.98089 0.98681 0.99469 1.00015 1.00367 1.00753 1.01207 1.02211 1.02596 1.03063 1.03762 1.04813 1.05176 1.05464 1.05755 1.06335 1.06896 1.06998 1.07457 1.07690 1.08159 1.08758 1.09007 1.09374 1.09928 1.10466 1.10787 1.11886 1.12231 1.12828 1.13544 1.14364 1.14642 1.15353 1.17535 1.18621 1.21357 1.22846 1.23502 1.24901 1.25351 1.27195 1.27554 1.28420 1.29043 1.29478 1.29900 1.30692 1.31076 1.31686 1.32818 1.33293 1.34213 1.34460 1.34815 1.35443 1.36022 1.37442 1.37679 1.39022 1.39797 1.40454 1.41412 1.42870 1.43696 1.44276 1.45604 1.45918 1.46261 1.47180 1.47795 1.48524 1.49576 1.50076 1.50754 1.51702 1.52165 1.53313 1.53864 1.55590 1.57018 1.57564 1.58661 1.59676 1.59888 1.60842 1.61612 1.63225 1.63412 1.65142 1.65465 1.66694 1.67887 1.69634 1.70746 1.71205 1.71992 1.72661 1.73797 1.74073 1.75832 1.76312 1.76586 1.77283 1.77755 1.78593 1.80335 1.80752 1.81828 1.83541 1.84882 1.86110 1.91421 2.00277 2.01699 2.02523 2.02796 2.03585 2.04653 2.04790 2.15689 2.18379 2.22668 2.23331 2.24360 2.26059 2.26545 2.27608 2.29969 2.31097 2.31717 2.32874 2.33336 2.34245 2.34784 2.35581 2.37810 2.38457 2.39554 2.41598 2.42759 2.44488 2.46993 2.48814 2.50782 2.51177 2.51503 2.52379 2.54225 2.55614 2.61069 2.64680 2.65458 2.66546 2.67628 2.68582 2.70350 2.71426 2.71926 2.72285 2.73268 2.73523 2.74497 2.78427 2.78976 2.80901 2.82451 2.83384 2.83610 2.85058 2.89029 2.92786 2.94446 3.05136 3.06956 3.07689 3.07958 3.08490 3.08737 3.09456 3.10901 3.11104 3.11369 3.12289 3.12420 3.12796 3.13370 3.13542 3.13928 3.14175 3.14610 3.15186 3.16264 3.16853 3.17435 3.17918 3.18918 3.19601 3.20067 3.20538 3.21868 3.22727 3.23161 3.29348 3.29876 3.30310 3.30571 3.30822 3.31103 3.31802 3.31943 3.32645 3.33369 3.34516 3.36359 3.36880 3.38048 3.38188 3.66230 3.68453 3.68930 3.69131 3.71134 3.71368 3.72268 3.72509 3.73624 3.74530 3.75687 3.76784 3.78157 3.79239 3.80093 3.89621 3.89829 3.90346 3.90475 3.90928 3.91315 3.92118 3.92860 3.93092 3.93990 3.94580 3.95487 3.96997 3.98293 3.98957 4.97171 4.99223 4.99730 5.00469 5.00641 5.01506 5.02455 5.02684 5.03077 5.04646 5.05589 5.06998 5.10081 5.12966 5.20023 5.36709 5.38187 5.38818 5.39721 5.41401 5.41816 5.43298 5.44318 5.44888 5.45751 5.48398 5.49723 5.52923 5.54073 5.54619 5.63753 5.65035 5.65710 5.66006 5.66399 5.66898 5.66957 5.67346 5.68395 5.69927 5.71797 5.73698 5.75015 5.75419 5.78001 49.87255 49.88086 49.88640 49.89843 49.90109 49.90914 49.91766 49.92620 49.93127 49.93954 49.95002 49.95447 49.96173 49.97423 49.99473 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 -0.830776 0.431939 0.258764 -0.732724 0.282751 -0.661547 0.337482 0.403504 0.356019 -0.755188 0.299728 -0.649210 0.394119 -0.673362 0.351338 0.340940 -0.633532 0.345175 0.342773 -0.640226 0.337385 0.339067 -0.747616 0.306158 0.398188 -0.668445 0.391537 0.338531 -0.847704 0.479385 0.391793 -0.752153 0.307712 0.380498 -0.840981 0.405896 0.440246 -0.759781 0.405835 0.305006 -0.653516 0.364845 0.439684 0.273297 0.397168 0.00000 -0.7171 -1.2386 0.1088 1.4354 -83.0114 -102.7795 -96.2169 4.8155 3.2365 1.4246 10.9912 -8.7769 -2.2142 4.8155 3.2365 1.4246 9.3430 14.6702 -13.4948 57.8744 2.1192 -16.7137 -61.8347 -43.1658 30.8565 8.0317 -2732.2955 -2944.3167 -1000.3308 15.9878 -77.7856 94.5971 59.1503 96.3222 -24.6156 -972.0587 -732.3854 -500.9850 5.1268 30.4241 28.7935 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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/ CONF17 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.1725877 RMSD=8.522e-09 Dipole=0.1777319,-0.5320496,-0.0650945 Quadrupole=5.5467277,-4.0748725,-1.4718552,-6.2753976,2.4137643,-2.4058876 PG=C01 [X(H30O15)] 0 1.6007204775 2.0573557503 1.0277086272 0 -1.6065660632 3.4541982159 -0.0377451494 0 0.4234591005 4.2241698691 -0.799371869 0 3.7741538515 -0.7602084752 -0.4265579422 0 4.5724159651 -0.9130675558 -0.9423168203 0 2.2629786875 1.0950013182 -1.5166208335 0 2.0731218758 1.5924924747 -0.6948492071 0 3.235193498 -0.0806131164 -0.9330609205 0 1.3905922939 0.7206119043 -1.755039023 0 -2.5349672979 3.1090982107 -0.0779053328 0 -3.1091866253 3.878825433 -0.0197291765 0 -0.0006747464 4.0120007563 0.0377987728 0 0.6306770159 3.4216348632 0.5070539705 0 -2.6932901761 0.9240115055 -1.9111531947 0 -2.7344731805 1.7481187041 -1.3941512284 0 -3.2077289022 0.270396785 -1.4033224248 0 -1.9484001253 -2.9852586104 0.0202931824 0 -1.3738971497 -3.0508394606 -0.7641520756 0 -1.3258235442 -2.9336089538 0.7684148461 0 -2.7235541734 0.8815283537 1.6697590151 0 -2.7642774839 1.7210809787 1.1770094521 0 -3.2419548252 0.2447419973 1.1443534815 0 -3.7512085183 -1.0262446415 -0.1351251409 0 -4.6213015002 -1.4361336238 -0.1406082773 0 -3.0916185511 -1.77086443 -0.078898389 0 2.0267828116 -2.9464104288 -0.0430095708 0 2.6718351892 -2.224962584 -0.1768509284 0 1.4684984245 -2.9672992623 -0.8424123919 0 -0.2330567918 -0.1000138905 -1.5325469641 0 -1.096722422 0.3100006515 -1.7943221478 0 -0.2448942828 -0.0834092902 -0.5466636471 0 0.2147979616 -2.6019389672 1.8386868026 0 0.3948996357 -3.0817360637 2.6521525248 0 0.9710348185 -2.7805667006 1.2104546483 0 -0.2188841234 0.0574818074 1.2231473537 0 -0.0615974833 -0.8215770063 1.6200817747 0 -1.1305569167 0.3454333745 1.4920273217 0 0.0190575325 -2.6923480373 -2.0024261224 0 -0.086472139 -1.7024072804 -1.965033819 0 0.0020338766 -2.9503995166 -2.9286505106 0 3.9563286146 0.8619952612 1.8566386718 0 4.0037953462 0.1976945681 1.1398487941 0 2.4283857912 1.8439658072 1.5006277211 0 4.1828800575 0.4070692937 2.6721222144 0 0.9782270038 1.321742236 1.2309740024 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 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:1.6007,2.0574,1.0277;-1.6066,3.4542,-.0377;.4235,4.2242,-.7994;3.7742,-.7602,-.4266;4.5724,-.9131,-.9423;2.263,1.095,-1.5166;2.0731,1.5925,-.6948;3.2352,-.0806,-.9331;1.3906,.7206,-1.755;-2.535,3.1091,-.0779;-3.1092,3.8788,-.0197;-.0007,4.012,.0378;.6307,3.4216,.5071;-2.6933,.924,-1.9112;-2.7345,1.7481,-1.3942;-3.2077,.2704,-1.4033;-1.9484,-2.9853,.0203;-1.3739,-3.0508,-.7642;-1.3258,-2.9336,.7684;-2.7236,.8815,1.6698;-2.7643,1.7211,1.177;-3.242,.2447,1.1444;-3.7512,-1.0262,-.1351;-4.6213,-1.4361,-.1406;-3.0916,-1.7709,-.0789;2.0268,-2.9464,-.043;2.6718,-2.225,-.1769;1.4685,-2.9673,-.8424;-.2331,-.1,-1.5325;-1.0967,.31,-1.7943;-.2449,-.0834,-.5467;.2148,-2.6019,1.8387;.3949,-3.0817,2.6522;.971,-2.7806,1.2105;-.2189,.0575,1.2231;-.0616,-.8216,1.6201;-1.1306,.3454,1.492;.0191,-2.6923,-2.0024;-.0865,-1.7024,-1.965;.002,-2.9504,-2.9287;3.9563,.862,1.8566;4.0038,.1977,1.1398;2.4284,1.844,1.5006;4.1829,.4071,2.6721;.9782,1.3217,1.231; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/gas/CONF17/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=re 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=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 15-agua/ CONF17 gas 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 1448.8469458968 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) -0.0481534016 0.000000 3.656918 0.000000 3.069080 2.300855 0.000000 3.844135 6.845768 6.017489 0.000000 4.640624 7.620438 6.604959 0.962598 0.000000 2.799701 4.767207 3.699997 2.629390 3.113786 0.000000 1.845662 4.175864 3.107738 2.915595 3.547611 0.979210 0.000000 3.329719 6.061280 5.143431 1.004427 1.575192 1.633344 2.050960 0.000000 3.094305 4.405060 3.758133 3.104683 3.667891 0.978810 1.532979 2.172594 0.000000 4.408226 0.991280 3.242867 7.409325 8.212181 5.398775 4.890317 6.648331 4.891591 0.000000 5.157335 1.561570 3.634101 8.310627 9.100573 6.233019 5.704334 7.534088 5.764861 0.962077 0.000000 2.713858 1.701687 0.962164 6.102372 6.791913 4.006149 3.269775 5.306873 3.997891 2.692816 3.111895 0.000000 1.753090 2.302851 1.547175 5.314216 6.035530 3.488967 2.621255 4.595996 3.604173 3.234372 3.804353 0.983533 0.000000 5.325402 3.330536 4.673460 6.846054 7.556718 4.974886 4.964368 6.092032 4.091924 2.856653 3.532900 4.536989 4.809845 0.000000 4.975433 2.454123 4.056739 7.042029 7.789525 5.041437 4.860680 6.260494 4.266401 1.903831 2.563076 3.827440 4.211825 0.973725 0.000000 5.676647 3.816427 5.402093 7.124809 7.883132 5.533665 5.489741 6.469591 4.633676 3.204304 3.865850 5.134358 5.321015 0.974552 1.551682 0.000000 6.248128 6.448785 7.633703 6.156147 6.909532 6.061876 6.135134 6.017931 5.294729 6.123307 6.961658 7.263304 6.923645 4.423544 5.002342 3.769865 0.000000 6.176793 6.549604 7.493830 5.644767 6.321428 5.566064 5.783362 5.485845 4.779969 6.305858 7.182315 7.239653 6.893998 4.342332 5.027730 3.847348 0.974530 0.000000 5.791513 6.444594 7.533375 5.671102 6.465170 5.859231 5.846329 5.642471 5.205772 6.220337 7.085959 7.108538 6.654722 4.891961 5.345985 4.303913 0.974657 1.537796 0.000000 4.527047 3.283575 5.212826 7.022112 7.954539 5.921495 5.394900 6.573208 5.355496 2.837598 3.462206 4.458388 4.365191 3.581292 3.184124 3.170447 4.274768 4.817573 4.161892 0.000000 4.380477 2.412389 4.509235 7.174908 8.078202 5.737676 5.188528 6.610004 5.182740 1.885202 2.491387 3.766114 3.855702 3.190158 2.571476 2.993200 4.914599 5.335962 4.888991 0.974325 0.000000 5.172106 3.791103 5.748841 7.259715 8.170625 6.173169 5.783523 6.809916 5.485747 3.193475 3.818282 5.091424 5.049364 3.177823 2.993607 2.548035 3.656460 4.241803 3.730255 0.974827 1.552037 0.000000 6.285214 4.968233 6.740618 7.535701 8.363438 6.525233 6.410452 7.095120 5.666899 4.310867 4.948254 6.283337 6.276699 2.842000 3.211851 1.893403 2.666835 3.185321 3.215107 2.820156 3.200551 1.873983 0.000000 7.230698 5.745829 7.610691 8.427474 9.243418 7.462799 7.368518 8.011862 6.587929 5.001585 5.527196 7.145921 7.183360 3.524534 3.907807 2.550467 3.093554 3.679907 3.732148 3.500062 3.892642 2.525681 0.961822 0.000000 6.156127 5.432159 6.986794 6.948462 7.760073 6.241149 6.194038 6.604172 5.395101 4.911608 5.650027 6.558131 6.415674 3.283014 3.773683 2.436048 1.670790 2.249105 2.277706 3.198197 3.725337 2.362544 0.996333 1.567094 0.000000 5.134749 7.359962 7.386471 2.824871 3.379865 4.308170 4.585704 3.235003 4.096686 7.581554 8.541813 7.248214 6.542452 6.383511 6.821565 6.292727 3.975877 3.477869 3.449426 6.336592 6.799131 6.273187 6.089393 6.818173 5.251783 0.000000 4.575642 7.111746 6.858137 1.850126 2.432943 3.603374 3.898685 2.342533 3.578920 7.454716 8.408396 6.788821 6.043022 6.458205 6.818751 6.503870 4.686522 4.170725 4.168571 6.493880 6.852410 6.543541 6.534077 7.335762 5.782145 0.976982 0.000000 5.363021 7.165134 7.267131 3.218731 3.723460 4.193810 4.602070 3.385615 3.799953 7.316749 8.276559 7.186367 6.583425 5.796981 6.340706 5.715278 3.524171 2.844700 3.225544 6.220754 6.631392 6.037617 5.613670 6.318438 4.775885 0.975276 1.562708 0.000000 3.817315 4.093090 4.434763 4.209134 4.909378 2.767401 2.980734 3.519733 1.832803 4.208702 5.137305 4.407794 4.160291 2.691602 3.113171 3.000430 3.698426 3.255660 3.810226 4.173819 4.131000 4.042044 3.897189 4.793683 3.616104 3.927795 3.846000 3.404835 0.000000 4.277067 3.637510 4.315275 5.171224 5.861820 3.461349 3.591871 4.433942 2.521285 3.584631 4.464942 4.273499 4.238220 1.714552 2.215976 2.147277 3.857061 3.526092 4.140183 3.869507 3.687913 3.638969 3.403643 4.266897 3.354443 4.840206 4.821232 4.269331 0.991240 0.000000 3.235401 3.824633 4.366440 4.077405 4.904218 2.935796 2.864228 3.501474 2.186650 3.956801 4.917432 4.144107 3.763281 2.978485 3.204798 3.104421 3.412345 3.182388 3.319861 3.462281 3.546058 3.456818 3.654113 4.598661 3.342177 3.689303 3.637351 3.367492 0.986094 1.561100 0.000000 4.928234 6.596602 7.321110 4.603512 5.438300 5.396341 5.240747 4.812739 5.033558 6.621969 7.516840 6.858121 6.183012 5.911904 6.170287 5.520383 2.851827 3.082245 1.904994 4.560372 5.291617 4.531537 4.701910 5.353930 3.911548 2.634906 3.200240 2.982205 4.222016 4.837172 3.499172 0.000000 5.522960 7.345737 8.080229 5.127115 5.922413 6.189792 5.988928 5.470627 5.905302 7.373179 8.238142 7.570497 6.852071 6.812246 7.035129 6.376724 3.525201 3.847172 2.555640 5.137832 5.934939 5.154185 5.402238 5.972419 4.618748 3.153610 3.731187 3.657553 5.176554 5.787914 4.430770 0.961441 0.000000 4.882151 6.861073 7.307912 3.823498 4.592594 4.911831 4.895756 4.124418 4.607432 6.974244 7.906267 6.961201 6.251233 6.074176 6.404979 5.796747 3.159349 3.077471 2.344009 5.222249 5.849659 5.187113 5.214193 5.908223 4.380306 1.647204 2.264075 2.120519 4.019858 4.780786 3.441018 0.999239 1.581495 0.000000 2.710840 3.879845 4.675947 4.397101 5.346752 3.839586 3.359801 4.074182 3.449601 4.045904 4.949875 4.134113 3.542890 4.086245 4.004584 3.984579 3.700858 3.865886 3.221602 2.674301 3.041171 3.029890 3.936583 4.844791 3.645652 3.958477 3.940280 4.032753 2.760228 3.152695 1.775601 2.763962 3.503352 3.077432 0.000000 3.376753 4.839171 5.616814 4.348044 5.296068 4.349233 3.967829 4.235138 3.984801 4.944788 5.836999 5.086335 4.441050 4.737352 4.778410 4.497946 3.286467 3.517998 2.604666 3.160546 3.737098 3.387924 4.090950 4.926318 3.601209 3.412055 3.559510 3.606826 3.238691 3.743008 2.296361 1.814903 2.526238 2.252058 0.977262 0.000000 3.256708 3.497314 4.765509 5.381413 6.327223 4.596727 4.074450 5.012220 4.128001 3.474896 4.322643 4.103064 3.679013 3.789265 3.587492 3.564172 3.732074 4.084633 3.363609 1.690156 2.158862 2.142199 3.375936 4.245560 3.285162 4.812626 4.883674 4.814446 3.186217 3.286715 2.263750 3.258398 3.926627 3.777280 0.993156 1.587761 0.000000 5.851757 6.654521 7.032005 4.507468 5.002274 4.428906 4.928366 4.278812 3.686544 6.624470 7.543031 7.007938 6.637195 4.521418 5.260197 4.421418 2.836914 1.897936 3.089413 5.812010 6.110165 5.400270 4.525220 5.155325 3.771657 2.816882 3.253983 1.876728 2.646610 3.209730 2.999246 3.847160 4.685935 3.352111 4.245292 4.077849 4.770842 0.000000 5.093029 5.711016 6.061610 4.261347 4.834692 3.680555 4.139273 3.837792 2.845495 5.719001 6.638612 6.055837 5.734224 3.700875 4.386792 3.734932 3.008988 2.217622 3.244008 5.180989 5.363147 4.839086 4.151633 4.895315 3.548676 3.115697 3.328501 2.297426 1.666192 2.258215 2.158246 3.920231 4.842796 3.516316 3.644069 3.691820 4.151510 0.996252 0.000000 6.579224 7.208592 7.495724 5.028548 5.383738 4.844684 5.469656 4.761447 4.096557 7.161050 8.048592 7.568015 7.266504 4.828160 5.649711 4.796116 3.535771 2.566774 3.928330 6.577072 6.806736 6.109153 5.058951 5.607264 4.368418 3.525131 3.902115 2.550136 3.182620 3.622730 3.735568 4.784788 5.596155 4.254409 5.131626 5.022639 5.629180 0.961651 1.579201 0.000000 2.768556 6.422928 5.553357 2.806728 3.371137 3.781614 3.254256 3.031661 4.432517 7.136446 7.908447 5.374811 4.408298 7.643136 7.491307 7.893102 7.282812 7.112674 6.594844 6.682525 6.809293 7.259727 8.181608 9.101985 7.768643 4.672875 3.913350 5.304495 5.473846 6.258397 4.931524 5.098844 5.373047 4.753713 4.298948 4.362809 5.126030 6.559561 6.125813 7.284902 0.000000 3.040672 6.593004 5.726420 1.850390 2.427455 3.300369 3.006506 2.228264 3.934800 7.260483 8.092580 5.639080 4.708731 7.395073 7.364050 7.647162 6.842019 6.564889 6.192565 6.782748 6.937499 7.245904 7.953846 8.871373 7.463610 3.897836 3.062202 4.513787 5.018092 5.885342 4.579815 4.762649 5.105473 4.251195 4.225828 4.218644 5.148537 5.839895 5.475488 6.517459 0.978436 0.000000 0.976841 4.608717 3.869768 3.508113 4.262168 3.113213 2.238207 3.205898 3.596986 5.359776 6.092360 3.569395 2.589978 6.222389 5.919801 6.532598 6.683491 6.598917 6.120085 5.243794 5.204189 5.902306 7.007224 7.946748 6.784714 5.048941 4.407877 5.436864 4.479116 5.063214 3.879768 4.977984 5.451937 4.857404 3.205707 3.649576 3.861573 6.217266 5.559864 6.963593 1.850843 2.307008 0.000000 3.477800 7.081388 6.383947 3.336377 3.867644 4.658845 4.146421 3.759427 5.243561 7.745520 8.513131 6.118605 5.137438 8.279816 8.135279 8.440914 7.492175 7.392083 6.717890 6.994904 7.226686 7.582124 8.537259 9.424567 8.076499 4.823538 4.162631 5.577292 6.118568 6.916122 5.496029 5.049200 5.149850 4.755360 4.647286 4.542241 5.443256 6.985357 6.646840 7.753756 0.960883 1.556846 2.552513 0.000000 0.984856 3.583039 3.585270 3.859940 4.757706 3.041591 2.231792 3.426886 3.073707 4.153353 4.980952 3.101517 2.248199 4.848834 4.566971 5.056389 5.346134 5.350933 4.861134 3.753599 3.764136 4.356302 5.454065 6.390762 5.276706 4.575984 4.174853 4.789068 3.335513 3.805450 2.574970 4.043193 4.663758 4.102367 1.741118 2.413806 2.338439 5.242881 4.526978 6.042071 3.077647 3.228909 1.564734 3.630886 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:-1.2127,2.4497,-.6939;2.2995,3.0418,.1351;.5561,4.1395,1.1595;-3.8104,.0183,.7611;-4.5758,-.0144,1.344;-1.847,1.4062,1.8254;-1.6253,1.9299,1.0283;-3.0962,.5194,1.2588;-1.0589,.8378,1.9429;3.1315,2.5093,.0523;3.8512,3.1451,-.0068;.8514,3.9253,.2692;.0698,3.5266,-.1752;2.9707,.1733,1.6887;3.1444,1.0167,1.2341;3.2867,-.521,1.0823;1.2376,-3.2925,-.4448;.7317,-3.3124,.3879;.5793,-3.0412,-1.1182;2.685,.4693,-1.8688;2.9478,1.2309,-1.3209;3.0967,-.3086,-1.4498;3.4272,-1.7744,-.3299;4.1856,-2.3545,-.4459;2.6201,-2.357,-.3734;-2.6152,-2.4358,.0339;-3.0756,-1.6125,.2882;-2.0084,-2.6487,.7671;.3244,-.2767,1.4915;1.2753,-.0819,1.6924;.2552,-.1684,.5138;-.9392,-2.2959,-1.9944;-1.2874,-2.6476,-2.8187;-1.6596,-2.3732,-1.3063;.1091,.144,-1.228;-.2675,-.6411,-1.6717;1.035,.2609,-1.5676;-.44,-2.7931,1.7877;-.127,-1.8477,1.8145;-.4,-3.1368,2.685;-3.8327,1.8544,-1.3616;-3.961,1.1488,-.696;-2.1042,2.4591,-1.0931;-4.2209,1.5368,-2.1812;-.7833,1.6239,-1.0158; 0.3086945 0.2621509 0.1877997 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= 5.50D-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= 934 934 934 934 934 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.18482518195 -1147.21586083296 -0.031035651008 -1147.21602893420 -0.000168101249 -1147.21614037644 -0.000111442233 -1147.21616251073 -0.000022134293 -1147.21616319531 -0.000000684579 -1147.21616329211 -0.000000096799 -1147.21616330185 -0.000000009739 -1147.21616330192 -0.000000000070 -1147.21616330194 -0.000000000024 -1147.21616330 10 1.143355672565e+03 -5.611636976657e+03 1.872266348296e+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. PT4206.400S Thu Jul 18 09:49:28 2024 -19.13969 -19.13964 -19.13886 -19.13839 -19.13482 -19.13195 -19.13096 -19.11938 -19.11935 -19.11887 -19.11833 -19.11812 -19.11310 -19.11221 -19.11141 -1.03591 -1.03216 -1.03107 -1.02708 -1.02466 -1.02056 -1.01695 -1.01604 -1.00774 -1.00520 -1.00302 -0.99856 -0.99617 -0.99346 -0.98693 -0.55811 -0.55561 -0.55494 -0.55223 -0.54765 -0.54740 -0.54033 -0.53623 -0.53386 -0.53002 -0.52871 -0.52693 -0.52545 -0.52190 -0.51848 -0.45274 -0.44652 -0.44383 -0.43224 -0.42947 -0.41954 -0.40944 -0.40329 -0.39677 -0.39310 -0.39124 -0.38138 -0.37616 -0.37527 -0.35803 -0.33894 -0.33794 -0.33761 -0.33513 -0.33307 -0.33069 -0.32887 -0.32513 -0.32204 -0.31981 -0.31895 -0.31675 -0.31320 -0.31086 -0.30700 -0.01189 0.00927 0.01366 0.02445 0.03130 0.04133 0.04444 0.06706 0.07326 0.08580 0.09052 0.09245 0.09510 0.09713 0.11079 0.11225 0.11528 0.12280 0.13171 0.13366 0.13692 0.14272 0.14428 0.14939 0.15490 0.15795 0.16123 0.16396 0.17362 0.17884 0.18130 0.18317 0.18872 0.19084 0.19375 0.19735 0.19837 0.20631 0.20869 0.21261 0.21798 0.22227 0.22616 0.23067 0.23354 0.23690 0.24057 0.24146 0.24434 0.24806 0.24985 0.25617 0.25962 0.25997 0.26352 0.26493 0.26901 0.27094 0.27468 0.27966 0.28315 0.28544 0.28777 0.29131 0.29285 0.29616 0.29664 0.30122 0.30373 0.30736 0.31581 0.31796 0.33225 0.33868 0.35082 0.35370 0.36642 0.38079 0.38765 0.41242 0.41631 0.42754 0.43584 0.43919 0.44321 0.45383 0.45806 0.47056 0.47543 0.47745 0.48418 0.49031 0.49764 0.50193 0.50925 0.51132 0.51718 0.52221 0.52721 0.53366 0.54141 0.54347 0.55126 0.55495 0.56263 0.56366 0.57271 0.57655 0.57899 0.58805 0.58958 0.59131 0.60252 0.60797 0.61275 0.61833 0.62079 0.62135 0.62839 0.64640 0.64945 0.66402 0.66577 0.66827 0.67435 0.67913 0.68516 0.69354 0.69906 0.70364 0.71372 0.71675 0.72440 0.73559 0.74334 0.74726 0.74904 0.75869 0.76553 0.76837 0.77274 0.78742 0.78905 0.79738 0.79945 0.81753 0.81952 0.82516 0.83073 0.83409 0.84001 0.84402 0.85141 0.85359 0.85850 0.86589 0.86804 0.87133 0.87959 0.88251 0.88589 0.88885 0.89174 0.89654 0.90067 0.91010 0.91329 0.92008 0.92305 0.93486 0.93643 0.94021 0.94721 0.95212 0.95526 0.95918 0.96608 0.97120 0.97445 0.97630 0.98456 0.98750 0.99157 0.99393 0.99842 1.00394 1.00967 1.01517 1.01893 1.02257 1.02398 1.02849 1.03624 1.03919 1.04214 1.05084 1.05260 1.05684 1.06255 1.06729 1.06802 1.07146 1.07792 1.08648 1.08931 1.09702 1.09769 1.10017 1.10491 1.10697 1.11371 1.11506 1.11833 1.12554 1.13016 1.13270 1.13537 1.14506 1.14687 1.15694 1.16365 1.16786 1.17265 1.17628 1.18303 1.19735 1.20112 1.20697 1.21365 1.22014 1.22428 1.22974 1.23325 1.24055 1.24213 1.24825 1.25659 1.26696 1.26994 1.27926 1.28338 1.28581 1.29993 1.30428 1.30581 1.32304 1.33316 1.33537 1.34201 1.34519 1.35510 1.36439 1.36780 1.37290 1.38122 1.38491 1.38666 1.39593 1.40278 1.41418 1.41831 1.42685 1.42737 1.44264 1.44417 1.44808 1.45702 1.46496 1.46663 1.46943 1.48002 1.49226 1.50489 1.51569 1.51733 1.52544 1.53399 1.53964 1.54000 1.54832 1.55858 1.56354 1.57169 1.57669 1.58225 1.58592 1.58915 1.60645 1.60952 1.62701 1.63277 1.64360 1.64793 1.67440 1.67603 1.68848 1.69520 1.71337 1.72229 1.73928 1.74250 1.76711 1.76836 1.78389 1.81635 1.82596 1.83372 1.84554 1.87735 1.88123 1.89523 1.91643 1.92573 1.92907 1.94398 1.97073 2.01827 2.02588 2.02980 2.04102 2.04843 2.05923 2.07012 2.08770 2.10877 2.13880 2.14533 2.15622 2.17035 2.17585 2.17813 2.19730 2.21397 2.22087 2.22685 2.24642 2.26136 2.27666 2.29487 2.30621 2.31394 2.32761 2.34673 2.37791 2.40917 2.68923 2.69886 2.70635 2.71565 2.71984 2.73209 2.74112 2.75303 2.76943 2.78086 2.78451 2.80237 2.80368 2.81584 2.82631 2.84328 2.85480 2.86048 2.86607 2.89927 2.91771 2.92981 2.94850 2.97628 2.98970 3.01733 3.03609 3.07610 3.08945 3.12321 3.13451 3.14626 3.15382 3.15604 3.17034 3.17837 3.18109 3.18817 3.20718 3.21434 3.22291 3.22995 3.24501 3.24920 3.25833 3.26032 3.26573 3.27952 3.29410 3.30626 3.30796 3.31996 3.32551 3.33277 3.33598 3.35070 3.35385 3.36094 3.37313 3.37486 3.37938 3.38270 3.38572 3.39795 3.39878 3.40302 3.40945 3.41687 3.42400 3.42967 3.43401 3.43960 3.44645 3.45119 3.45443 3.46364 3.46701 3.47187 3.47758 3.48400 3.49068 3.49527 3.50203 3.50434 3.50992 3.51272 3.52103 3.52794 3.53437 3.54034 3.54708 3.55322 3.55820 3.56442 3.57833 3.58315 3.59950 3.61171 3.61625 3.62449 3.63970 3.65297 3.67067 3.69993 3.71664 3.78165 3.80227 3.81222 3.82666 3.83099 3.83722 3.84289 3.87418 3.90569 3.91169 3.95453 3.98320 3.98997 3.99410 3.99984 4.00869 4.02504 4.02714 4.03293 4.03526 4.04255 4.07371 4.12682 4.12845 4.13334 4.14330 4.15065 4.16055 4.16830 4.17081 4.17910 4.19853 4.20278 4.20739 4.21872 4.22757 4.23486 4.24124 4.26630 4.27239 4.28556 4.29474 4.30033 4.31383 4.31893 4.32846 4.33948 4.34255 4.35250 4.35706 4.36363 4.36847 4.38442 4.38489 4.39278 4.40214 4.41826 4.44249 4.45243 4.48943 4.63309 4.63720 4.63919 4.64283 4.64648 4.65036 4.65526 4.65755 4.71211 4.72568 4.73105 4.75180 4.76970 4.79921 4.80709 4.81087 4.82529 4.83924 4.84894 4.85254 4.86492 4.87270 4.88302 4.89457 4.89585 4.90719 4.91044 4.91910 4.92559 4.94366 5.06371 5.07950 5.08522 5.09172 5.11264 5.11983 5.12683 5.14399 5.14889 5.15032 5.15303 5.15558 5.16266 5.16652 5.17809 5.18267 5.19722 5.20430 5.20561 5.21455 5.22887 5.23626 5.24093 5.24651 5.25966 5.26025 5.26593 5.26786 5.27455 5.28223 5.29382 5.29773 5.30267 5.30660 5.31335 5.31894 5.32255 5.32692 5.33033 5.33791 5.34183 5.36009 5.36606 5.36709 5.37288 5.38108 5.39010 5.39528 5.40160 5.40866 5.41171 5.41422 5.42016 5.42465 5.43277 5.43754 5.44836 5.44992 5.46047 5.46383 5.46860 5.47290 5.47910 5.49149 5.50017 5.50359 5.50587 5.51532 5.52646 5.53006 5.53838 5.54711 5.54863 5.55539 5.55876 5.56791 5.56827 5.57452 5.58292 5.58673 5.58829 5.58930 5.59505 5.59821 5.59980 5.60747 5.61164 5.62498 5.62922 5.63565 5.64217 5.64679 5.66349 5.66717 5.67955 5.68453 5.69693 5.71140 5.72235 5.73347 5.73959 5.75725 5.76157 5.77163 5.77703 5.78384 5.79272 5.81432 5.83041 5.83803 5.84255 5.87213 5.88871 5.90028 5.90996 5.93097 5.93719 5.94599 5.97409 5.97857 6.88957 6.91564 6.93293 6.93493 6.95354 6.96112 6.97018 6.97511 6.99103 6.99922 7.00666 7.01356 7.01623 7.02217 7.02838 7.03196 7.03634 7.04663 7.04958 7.05769 7.06846 7.07811 7.08889 7.10104 7.11053 7.12018 7.14577 7.15017 7.16164 7.20254 14.34884 14.34960 14.36059 14.36560 14.36878 14.37392 14.37846 14.38782 14.39457 14.39561 14.40059 14.40407 14.40607 14.41017 14.41609 14.41810 14.42054 14.42202 14.42622 14.43007 14.43169 14.43769 14.44005 14.44232 14.44398 14.44733 14.45136 14.45429 14.45632 14.46389 14.46444 14.46593 14.46992 14.47889 14.48136 14.48606 14.49349 14.49491 14.50334 14.50809 14.51837 14.52747 14.54929 14.56226 14.56515 14.65334 14.66266 14.66456 14.66687 14.66805 14.67030 14.67867 14.68347 14.69338 14.69908 14.70249 14.71113 14.71292 14.72412 14.73101 15.02162 15.03497 15.03763 15.04776 15.05173 15.06146 15.06313 15.07032 15.07126 15.07312 15.08251 15.09172 15.09436 15.09567 15.10210 49.98742 50.00879 50.02042 50.02297 50.02655 50.03514 50.04100 50.05406 50.06148 50.06943 50.08459 50.09123 50.10082 50.11798 50.15749 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 -0.752948 0.492930 0.226006 -0.793597 0.252361 -0.739335 0.354783 0.518647 0.369757 -0.732362 0.250997 -0.647443 0.395821 -0.691587 0.343431 0.335469 -0.646408 0.327341 0.329673 -0.687506 0.343297 0.340574 -0.730755 0.257008 0.469724 -0.734286 0.416368 0.337256 -0.943890 0.495442 0.471714 -0.739813 0.264683 0.466676 -0.861202 0.374094 0.475588 -0.742964 0.477368 0.262757 -0.650739 0.417048 0.367195 0.231051 0.429778 -0.00000 -0.6951 -1.1454 0.0765 1.3420 -82.8975 -101.2279 -95.3255 4.5945 3.1288 1.4034 10.2528 -8.0776 -2.1752 4.5945 3.1288 1.4034 8.3048 15.1299 -12.8749 55.6283 2.3819 -16.0594 -59.1113 -41.5715 29.1931 7.7068 -2739.1213 -2910.1175 -990.6541 14.2139 -75.3782 91.9617 54.6182 93.3576 -22.1965 -960.6600 -726.7859 -500.6413 5.0093 29.8979 26.8172 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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/ CONF17 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2161633 RMSD=1.334e-09 Dipole=0.1756293,-0.4954258,-0.0497193 Quadrupole=5.1318582,-3.6814454,-1.4504128,-5.9044407,2.3203054,-2.3063622 PG=C01 [X(H30O15)] 0 1.6007204775 2.0573557503 1.0277086272 0 -1.6065660632 3.4541982159 -0.0377451494 0 0.4234591005 4.2241698691 -0.799371869 0 3.7741538515 -0.7602084752 -0.4265579422 0 4.5724159651 -0.9130675558 -0.9423168203 0 2.2629786875 1.0950013182 -1.5166208335 0 2.0731218758 1.5924924747 -0.6948492071 0 3.235193498 -0.0806131164 -0.9330609205 0 1.3905922939 0.7206119043 -1.755039023 0 -2.5349672979 3.1090982107 -0.0779053328 0 -3.1091866253 3.878825433 -0.0197291765 0 -0.0006747464 4.0120007563 0.0377987728 0 0.6306770159 3.4216348632 0.5070539705 0 -2.6932901761 0.9240115055 -1.9111531947 0 -2.7344731805 1.7481187041 -1.3941512284 0 -3.2077289022 0.270396785 -1.4033224248 0 -1.9484001253 -2.9852586104 0.0202931824 0 -1.3738971497 -3.0508394606 -0.7641520756 0 -1.3258235442 -2.9336089538 0.7684148461 0 -2.7235541734 0.8815283537 1.6697590151 0 -2.7642774839 1.7210809787 1.1770094521 0 -3.2419548252 0.2447419973 1.1443534815 0 -3.7512085183 -1.0262446415 -0.1351251409 0 -4.6213015002 -1.4361336238 -0.1406082773 0 -3.0916185511 -1.77086443 -0.078898389 0 2.0267828116 -2.9464104288 -0.0430095708 0 2.6718351892 -2.224962584 -0.1768509284 0 1.4684984245 -2.9672992623 -0.8424123919 0 -0.2330567918 -0.1000138905 -1.5325469641 0 -1.096722422 0.3100006515 -1.7943221478 0 -0.2448942828 -0.0834092902 -0.5466636471 0 0.2147979616 -2.6019389672 1.8386868026 0 0.3948996357 -3.0817360637 2.6521525248 0 0.9710348185 -2.7805667006 1.2104546483 0 -0.2188841234 0.0574818074 1.2231473537 0 -0.0615974833 -0.8215770063 1.6200817747 0 -1.1305569167 0.3454333745 1.4920273217 0 0.0190575325 -2.6923480373 -2.0024261224 0 -0.086472139 -1.7024072804 -1.965033819 0 0.0020338766 -2.9503995166 -2.9286505106 0 3.9563286146 0.8619952612 1.8566386718 0 4.0037953462 0.1976945681 1.1398487941 0 2.4283857912 1.8439658072 1.5006277211 0 4.1828800575 0.4070692937 2.6721222144 0 0.9782270038 1.321742236 1.2309740024