Gaussian 16 GINC-GARGANTILLA LAMSABHI Optimization 14H2OH3O CONF238 gas EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 46 46 75 75 516 (5D, 7F) 6-311+G(d,p) 132 132 C1[X(H31O15)] C1[X(H31O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 239.99100000000004 1 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4168,-.0441,3.5493;2.3497,-1.611,-.4388;-1.614,.3635,-3.0964;3.178,1.2629,1.3493;2.9776,.3738,.9821;2.31,-2.8937,-1.5195;2.979,-3.0439,-2.1891;3.945,1.1708,1.9198;1.4523,-2.8431,-1.9764;2.0551,-.875,.154;1.5578,-.2709,-.4392;-.7123,.088,-3.4247;-.651,.3762,-4.339;-2.575,.3713,.2447;-2.2167,-.5635,.1484;1.058,-1.6363,1.2631;-.6308,2.1042,.3455;-1.4106,1.4727,.3649;-.0042,2.054,1.3242;.9295,1.0494,-1.4313;.4882,.8136,-2.2709;1.7296,1.6117,-1.5885;.3913,-2.0707,1.8532;.7887,-2.8837,2.1753;-.0508,1.7929,-.409;-3.3981,.3308,3.0338;-3.9621,-.3665,3.379;-3.7074,1.1416,3.447;3.1565,2.4333,-1.2891;3.3703,2.2121,-.3688;3.1921,3.3894,-1.3562;.678,1.9525,2.3465;.3075,1.1965,2.9021;1.614,1.7617,2.1249;-.2753,-2.443,-2.534;-.7152,-3.0985,-3.0806;-.4102,-1.5736,-2.9693;-3.0194,.8123,-2.4304;-3.0405,.7321,-1.4572;-3.8586,.4821,-2.7559;-1.6423,-2.0242,-.0182;-1.2196,-2.2304,-.8671;-.1634,-.8516,3.0638;-.9757,-2.2049,.6688;-1.3784,.022,3.4901;-3.104,.3809,1.0564; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6521549/Gau-1797620.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6521549/" chk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/gas/CONF238/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 14H2OH3O CONF238 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 46 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 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 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 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 1 1 2 2 3 3 4 4 4 5 6 6 9 10 10 11 12 12 12 14 14 14 14 15 16 17 17 17 19 20 20 20 22 23 23 23 26 26 26 26 29 29 32 32 35 35 35 38 38 41 41 33 43 45 6 10 12 38 5 8 34 10 7 9 35 11 16 20 13 21 37 15 18 39 46 41 23 18 19 25 32 21 22 25 29 24 43 44 27 28 45 46 30 31 33 34 36 37 42 39 40 42 44 1.5756 0.9757 0.9657 1.6777 0.9899 0.9984 1.6187 0.9826 0.9603 1.8156 1.7596 0.9584 0.9731 1.8589 0.9819 1.6745 1.767 0.9606 1.8163 1.7492 1.0058 1.6072 1.8008 0.969 1.5783 0.9906 1.0037 1.1631 1.0013 1.2333 0.9774 0.9904 1.5996 1.6736 0.9605 1.8055 1.8137 0.9609 0.9611 2.0935 1.9998 0.9704 0.9592 1.0086 0.9807 0.9602 0.9816 1.9276 0.9767 0.9587 0.9706 0.9741 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 33 33 43 6 5 5 8 4 2 2 7 2 2 2 5 5 11 3 3 3 13 13 21 15 15 15 18 18 39 18 18 19 11 11 11 21 21 22 12 20 16 16 16 24 24 43 27 27 27 28 28 45 22 22 30 19 19 33 9 9 9 36 36 37 3 3 39 14 15 15 42 23 14 1 1 1 2 4 4 4 5 6 6 6 10 10 10 10 10 10 12 12 12 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 20 20 20 21 22 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 39 41 41 41 44 46 43 45 45 10 8 34 34 10 7 9 9 5 11 16 11 16 16 13 21 37 21 37 37 18 39 46 39 46 46 19 25 25 21 22 25 22 25 25 20 29 24 43 44 43 44 44 28 45 46 45 46 46 30 31 31 33 34 34 36 37 42 37 42 42 39 40 40 38 42 44 44 41 26 109.1376 112.254 106.5434 161.292 107.3466 103.4441 117.4191 157.6652 123.594 106.4718 107.1774 130.8082 104.2608 103.6419 96.498 108.8507 112.2269 106.7259 106.13 109.4218 116.2716 121.452 95.7362 112.7043 100.8272 106.4879 96.9315 109.0329 130.4368 112.0377 105.6033 107.9763 117.5571 103.0667 101.9102 111.4296 112.604 109.4273 160.1383 159.8943 107.0126 108.0603 98.67 118.2761 117.92 104.8451 105.5959 112.3881 117.3664 109.9454 116.8303 94.4328 104.2157 120.5639 106.5839 108.3701 110.8983 109.2241 116.7218 116.8362 102.6895 106.806 110.0667 102.6157 113.9517 121.6556 106.9255 162.2647 116.5836 110.2621 106.2214 164.2733 155.2915 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 12 6 10 14 10 14 17 17 1 4 12 35 1 1 12 6 10 14 10 14 17 17 1 4 12 35 1 1 3 9 11 15 16 18 19 25 33 34 37 42 43 45 3 9 11 15 16 18 19 25 33 34 37 42 43 45 38 35 20 41 23 17 32 20 32 32 35 41 23 26 38 35 20 41 23 17 32 20 32 32 35 41 23 26 1 1 1 1 14 1 2 4 2 3 1 2 4 3 1 1 1 1 14 1 2 4 2 3 1 2 4 3 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 174.9028 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 166.8325 181.3194 180.2605 174.7933 182.5412 177.5622 173.7712 175.4042 166.5115 168.829 175.6508 169.6146 170.7091 179.2974 175.8721 167.7625 180.705 177.1005 173.5111 180.5607 170.426 171.2469 178.7887 178.1817 174.6579 188.6861 184.3421 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 33 33 33 45 45 45 33 33 33 43 43 43 43 43 45 45 10 10 6 6 6 5 5 8 8 2 2 2 7 7 7 2 2 2 5 5 5 16 16 16 2 2 2 5 5 5 11 11 11 3 3 3 13 13 13 21 21 21 13 13 21 21 37 37 8 34 4 4 4 3 13 37 15 15 39 39 46 46 18 18 39 39 46 46 15 18 46 15 18 39 18 18 18 19 19 19 18 18 25 25 11 22 25 11 21 25 20 20 16 24 43 27 28 45 22 9 9 36 36 37 37 3 40 15 42 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 4 4 4 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 4 4 5 5 5 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 22 22 23 23 23 26 26 26 29 35 35 35 35 35 35 38 38 41 41 23 23 23 23 23 23 26 26 26 26 26 26 32 32 32 32 6 6 10 10 10 32 32 32 32 35 35 35 35 35 35 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 5 5 10 10 10 21 21 21 17 17 17 17 17 17 41 41 41 41 41 41 39 39 39 46 46 46 20 20 20 20 20 20 32 32 32 32 21 21 21 22 22 22 29 29 44 44 44 46 46 46 30 41 41 41 41 41 41 39 39 44 44 16 24 44 16 24 44 27 28 46 27 28 46 19 34 19 34 7 9 5 11 16 19 33 19 33 36 37 42 36 37 42 21 22 25 21 22 25 21 22 25 24 43 44 24 43 44 24 43 44 9 36 42 9 36 42 9 36 42 39 40 39 40 39 40 10 10 2 11 16 20 20 20 19 25 19 25 19 25 42 44 42 44 42 44 38 38 38 26 26 26 11 21 22 11 21 22 33 34 33 34 12 12 12 29 29 29 30 31 41 41 41 14 14 14 31 15 44 15 44 15 44 14 14 23 23 7.1711 128.1293 -95.5165 125.0071 -114.0347 22.3194 179.8361 -60.903 58.4971 63.8243 -176.9148 -57.5147 73.4646 -45.032 -42.086 -160.5826 144.8954 20.4149 -170.1021 -58.1566 59.445 -66.2513 48.9785 175.8557 -68.9145 -168.468 60.2446 -48.3891 59.1715 -72.1159 179.2504 29.4736 -92.3866 155.35 162.4252 40.565 -71.6984 -86.5946 151.5452 39.2818 46.5176 177.0034 -75.5098 -97.1336 33.3522 140.839 157.5399 -71.9743 35.5125 -141.4535 80.335 -34.0956 92.4028 -45.8087 -160.2393 -33.4581 -171.6696 73.8998 -166.3396 63.8279 -41.7769 -171.6094 59.0302 -70.8023 167.7318 42.9328 143.5393 28.3315 -87.8481 51.6488 170.1288 -60.4955 -69.7334 45.9374 -173.5469 -57.8761 48.7909 164.4617 -70.7317 50.2926 31.3629 152.3873 169.6359 -69.3398 -46.5837 68.1951 -169.4464 70.4556 -51.4089 -168.906 -75.9329 49.1478 176.7518 40.9483 166.029 -66.3669 5.5311 124.6808 -109.5721 9.5776 61.8924 -179.5024 -56.1042 -41.9342 -168.8969 65.9151 3.4987 -115.9437 -46.0694 -160.6363 65.3288 -121.9769 111.0773 -3.9238 -128.5189 118.0896 -2.5265 -116.1911 123.1928 -2.737 -123.353 -3.7815 133.5633 -39.4184 87.7529 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 531 A 516 A 788 531 1476.0215785237 46 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= 516 RedAO= T EigKep= 1.25D-04 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 Berny optimization. local minimum Step number 33 out of a maximum of 276 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00032 0.00139 0.00176 0.00245 0.00326 0.00341 0.00378 0.00434 0.00499 0.00579 0.00655 0.00667 0.00756 0.00798 0.00871 0.00907 0.00949 0.00965 0.01125 0.01160 0.01225 0.01326 0.01488 0.01711 0.01816 0.01871 0.01985 0.02170 0.02306 0.02380 0.02482 0.02788 0.02836 0.02941 0.03096 0.03150 0.03330 0.03528 0.03765 0.03865 0.03912 0.04073 0.04147 0.04247 0.04372 0.04459 0.04699 0.04844 0.04888 0.05016 0.05304 0.05320 0.05409 0.05674 0.05725 0.05776 0.05853 0.05985 0.06083 0.06120 0.06221 0.06233 0.06395 0.06522 0.06721 0.06838 0.07017 0.07060 0.07139 0.07383 0.07510 0.07563 0.07622 0.07819 0.07957 0.08115 0.08441 0.08473 0.08566 0.08634 0.08787 0.09025 0.09324 0.09422 0.09567 0.09903 0.10154 0.11172 0.11345 0.11412 0.11992 0.12639 0.13208 0.13510 0.14886 0.15390 0.15796 0.16072 0.16472 0.18515 0.23793 0.35597 0.38485 0.39658 0.40496 0.42575 0.43772 0.45182 0.45997 0.46421 0.47686 0.47935 0.48772 0.49344 0.49654 0.50121 0.50243 0.51266 0.51549 0.51877 0.52427 0.52786 0.53871 0.54918 0.55253 0.55316 0.55385 0.55409 0.55527 0.55635 0.55809 0.56609 -8.67772745e-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 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 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 3.15496 1.84400 1.83048 3.28317 1.86176 1.87517 3.17938 1.86132 1.82074 3.48908 3.35959 1.81701 1.84442 3.51459 1.85459 3.27550 3.42354 1.82099 3.45700 3.37801 1.89464 3.02947 3.44779 1.83860 3.05462 1.86750 1.90573 2.09560 1.89903 2.50555 1.84927 1.86420 3.03414 3.25662 1.82021 3.46720 3.45272 1.82423 1.82441 3.80918 3.65634 1.84189 1.81690 1.88025 1.85005 1.82135 1.85770 3.57516 1.84775 1.81640 1.84032 1.84394 1.93538 2.09192 1.87207 2.77417 1.87617 1.83095 2.07983 2.71039 2.29336 1.94002 1.88056 2.29396 1.81403 1.77456 1.71980 1.86195 2.01121 1.86540 1.81999 1.88838 2.06352 2.09015 1.71412 1.92887 1.74509 1.85381 1.65222 1.95448 2.30539 1.92973 1.85428 1.87947 2.05113 1.78087 1.77333 1.94180 2.00229 1.89345 2.77247 2.70208 1.87313 1.90427 1.68780 2.11610 2.12032 1.71110 1.84109 2.00100 2.03671 1.94134 2.07966 1.55825 1.92492 2.31959 1.88411 1.86281 1.97362 1.89793 2.05785 2.00684 1.74420 1.86064 1.95821 1.82175 2.12816 2.25970 1.88525 2.76607 2.10461 1.99445 1.86557 2.85307 2.78543 2.97399 2.87300 3.17764 3.14678 2.99729 3.18980 3.11012 3.01360 3.03887 2.88734 2.92943 3.06521 2.91253 2.99009 3.15087 3.06977 2.96122 3.17955 3.07447 3.03192 3.17544 3.00922 2.93544 3.13140 3.14685 3.02559 3.27524 3.24192 -0.00682 2.15125 -1.73202 2.23660 -1.88852 0.51140 3.06651 -1.09235 1.00106 0.90850 3.03282 -1.15696 1.38368 -0.69529 -0.74549 -2.82446 2.85118 0.39066 -3.03938 -1.03176 1.06240 -1.13491 0.85461 3.04491 -1.24875 -2.94118 1.05784 -0.83198 0.72664 -1.55753 2.83585 0.43848 -1.67002 2.67438 2.78960 0.68110 -1.25769 -1.55883 2.61586 0.67707 0.85627 -3.04732 -1.32183 -1.61579 0.76380 2.48929 2.78499 -1.11860 0.60689 -2.48086 1.39759 -0.66134 1.63313 -0.77160 -2.83053 -0.62223 -3.02696 1.19730 -3.01583 0.29779 -0.81043 2.50319 0.95877 -2.01080 2.95936 0.72912 2.53385 0.48803 -1.60062 0.85110 2.91880 -1.09042 -1.24894 0.76119 -3.02322 -1.01310 0.82104 2.83117 -1.28661 0.96242 0.43036 2.67939 2.87096 -1.16320 -0.95838 0.99294 -3.10095 1.06213 -1.04503 -3.11969 -1.31415 0.89061 3.12393 0.70381 2.90858 -1.14129 0.09560 2.16951 -1.90986 0.16405 1.19373 -3.04629 -0.88871 -0.75142 -2.95315 1.11168 0.11839 -2.36678 -0.97858 -2.98673 0.94920 -1.96498 2.07515 0.08442 -2.65240 2.12876 -0.12755 -1.94232 2.08457 0.06320 -2.19310 0.16666 -3.11358 -0.57036 1.80459 0.00002 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -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 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 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 0.00001 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 -0.00001 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 -0.00001 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 0.00041 -0.00001 -0.00000 -0.00016 0.00003 -0.00002 0.00017 0.00005 0.00000 0.00013 -0.00044 0.00000 0.00001 -0.00012 0.00002 0.00047 -0.00022 -0.00000 -0.00008 -0.00034 0.00003 0.00014 0.00045 -0.00001 -0.00010 -0.00004 -0.00001 -0.00027 0.00005 0.00049 0.00000 0.00002 -0.00031 -0.00012 0.00001 -0.00003 -0.00027 -0.00000 0.00000 0.00018 0.00028 0.00001 -0.00000 -0.00006 -0.00001 -0.00000 0.00002 -0.00019 -0.00003 0.00000 0.00001 0.00001 -0.00005 0.00002 0.00000 -0.00023 -0.00001 0.00002 -0.00006 0.00004 0.00015 -0.00006 -0.00003 -0.00015 -0.00001 0.00021 -0.00016 0.00018 -0.00013 0.00007 0.00021 -0.00002 -0.00022 -0.00009 0.00011 -0.00025 -0.00008 0.00003 0.00025 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00003 -0.00016 0.00006 -0.00005 0.00008 0.00003 0.00023 0.00002 -0.00007 -0.00009 0.00005 0.00001 0.00013 -0.00004 -0.00003 0.00024 0.00030 -0.00019 0.00000 -0.00035 -0.00010 -0.00004 0.00005 -0.00006 0.00000 0.00002 0.00003 -0.00016 -0.00009 0.00007 0.00012 0.00003 -0.00001 -0.00001 -0.00001 -0.00005 0.00005 0.00002 0.00003 -0.00009 0.00019 -0.00018 0.00052 0.00007 0.00017 -0.00004 0.00010 -0.00007 0.00010 -0.00001 -0.00016 -0.00037 0.00024 0.00013 0.00040 0.00005 0.00018 0.00031 -0.00014 0.00004 -0.00006 -0.00002 0.00000 -0.00020 0.00000 0.00028 0.00014 -0.00010 -0.00001 -0.00007 -0.00023 -0.00011 -0.00004 -0.00020 -0.00008 0.00047 0.00035 0.00021 0.00035 0.00022 0.00009 0.00004 0.00010 0.00010 0.00016 -0.00059 -0.00067 0.00060 0.00025 0.00019 -0.00012 -0.00023 -0.00010 -0.00020 0.00041 0.00056 0.00052 0.00025 0.00040 0.00036 0.00021 0.00037 0.00034 0.00001 0.00016 0.00014 0.00018 0.00034 0.00031 0.00014 0.00002 -0.00002 0.00002 -0.00010 -0.00013 0.00020 0.00007 0.00004 -0.00020 -0.00023 -0.00044 -0.00034 -0.00038 -0.00059 0.00000 -0.00003 -0.00024 0.00058 0.00087 0.00049 0.00078 0.00062 0.00091 0.00034 0.00041 -0.00062 -0.00034 -0.00019 -0.00031 -0.00020 -0.00038 -0.00007 -0.00006 -0.00003 -0.00002 -0.00019 -0.00018 0.00002 0.00021 0.00020 0.00039 0.00010 0.00028 0.00045 0.00023 0.00050 0.00003 0.00032 -0.00007 -0.00022 -0.00009 -0.00009 -0.00021 -0.00009 -0.00008 0.00012 0.00009 0.00014 0.00011 0.00049 0.00026 0.00031 0.00036 0.00045 0.00037 -0.00051 -0.00035 0.00026 0.00025 0.00017 -0.00043 -0.00071 -0.00027 0.00014 -0.00039 -0.00062 -0.00038 -0.00061 -0.00023 -0.00046 -0.00053 -0.00071 -0.00039 -0.00027 0.00006 0.00000 -0.00000 -0.00004 0.00000 0.00001 -0.00005 -0.00001 0.00000 0.00001 0.00016 0.00000 0.00001 -0.00010 -0.00000 -0.00019 -0.00009 0.00000 -0.00006 0.00009 -0.00001 -0.00007 -0.00039 -0.00000 0.00001 0.00001 0.00000 0.00009 0.00000 -0.00014 0.00001 -0.00001 0.00002 0.00011 -0.00001 0.00006 0.00016 0.00000 0.00000 0.00004 -0.00006 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00006 0.00003 0.00000 0.00000 -0.00001 0.00009 -0.00005 -0.00000 -0.00002 -0.00000 -0.00003 0.00000 0.00000 0.00006 -0.00005 0.00001 -0.00000 -0.00000 -0.00004 0.00000 0.00000 0.00005 -0.00004 -0.00010 0.00011 -0.00001 0.00005 -0.00003 0.00010 -0.00007 0.00001 -0.00002 -0.00001 0.00001 0.00002 -0.00002 -0.00004 0.00001 0.00008 0.00005 -0.00003 -0.00007 -0.00003 -0.00002 -0.00005 0.00006 0.00005 0.00002 -0.00008 -0.00002 -0.00001 0.00000 0.00003 -0.00002 -0.00000 -0.00003 0.00002 0.00008 0.00002 0.00002 -0.00005 -0.00003 -0.00003 0.00001 0.00001 -0.00003 0.00000 -0.00004 0.00005 -0.00001 0.00000 -0.00000 -0.00004 0.00011 0.00006 -0.00002 -0.00001 0.00000 0.00023 0.00021 -0.00008 -0.00014 -0.00006 0.00001 0.00002 0.00002 -0.00004 0.00006 -0.00022 -0.00012 -0.00005 -0.00006 -0.00004 -0.00018 -0.00003 0.00022 0.00002 0.00006 -0.00002 0.00003 0.00004 0.00002 -0.00024 0.00001 0.00001 0.00006 0.00009 0.00016 0.00007 0.00009 0.00016 0.00007 0.00009 0.00012 0.00009 0.00002 0.00005 0.00002 -0.00007 0.00000 -0.00012 -0.00004 -0.00024 -0.00028 0.00010 0.00010 0.00014 0.00001 -0.00005 0.00003 -0.00003 0.00003 0.00010 0.00002 0.00008 0.00015 0.00007 0.00004 -0.00000 0.00000 0.00005 0.00000 0.00001 0.00004 -0.00000 0.00000 -0.00006 -0.00006 -0.00007 -0.00005 -0.00005 -0.00006 -0.00006 -0.00007 -0.00007 0.00033 0.00015 0.00026 0.00028 0.00010 0.00021 0.00022 0.00004 0.00014 0.00010 0.00023 -0.00001 0.00013 0.00001 0.00014 0.00010 0.00011 -0.00010 -0.00010 -0.00015 -0.00013 -0.00025 -0.00021 -0.00012 -0.00015 -0.00006 -0.00009 -0.00003 -0.00007 -0.00001 0.00006 -0.00005 0.00002 -0.00001 0.00006 -0.00010 -0.00001 -0.00005 0.00017 0.00004 0.00008 0.00004 0.00006 -0.00007 0.00004 0.00007 -0.00007 0.00002 -0.00006 0.00004 -0.00003 0.00002 0.00012 -0.00000 -0.00013 -0.00018 -0.00005 0.00016 -0.00009 -0.00011 -0.00019 -0.00006 -0.00011 -0.00006 -0.00007 -0.00018 0.00012 0.00001 0.00008 -0.00003 0.00012 0.00001 -0.00001 -0.00012 -0.00006 0.00014 0.00047 -0.00001 -0.00001 -0.00020 0.00003 -0.00002 0.00012 0.00003 0.00000 0.00014 -0.00028 0.00000 0.00002 -0.00022 0.00002 0.00028 -0.00031 0.00000 -0.00014 -0.00025 0.00002 0.00006 0.00006 -0.00001 -0.00008 -0.00003 -0.00001 -0.00019 0.00006 0.00035 0.00002 0.00001 -0.00029 -0.00000 0.00000 0.00003 -0.00011 -0.00000 0.00000 0.00021 0.00022 0.00000 -0.00001 -0.00006 -0.00001 -0.00000 0.00001 -0.00013 -0.00000 0.00000 0.00001 0.00000 0.00005 -0.00003 -0.00000 -0.00026 -0.00001 -0.00000 -0.00006 0.00004 0.00021 -0.00011 -0.00002 -0.00015 -0.00001 0.00017 -0.00016 0.00018 -0.00008 0.00003 0.00011 0.00009 -0.00023 -0.00004 0.00008 -0.00015 -0.00014 0.00004 0.00023 -0.00002 0.00000 0.00000 -0.00002 -0.00003 0.00004 -0.00008 0.00012 -0.00008 0.00001 -0.00001 0.00021 -0.00003 -0.00001 -0.00005 0.00007 -0.00006 0.00011 -0.00004 -0.00003 0.00027 0.00028 -0.00019 -0.00003 -0.00033 -0.00002 -0.00001 0.00007 -0.00010 -0.00002 -0.00001 0.00003 -0.00015 -0.00012 0.00008 0.00008 0.00008 -0.00002 -0.00001 -0.00001 -0.00009 0.00016 0.00008 0.00001 -0.00009 0.00020 0.00005 0.00074 -0.00001 0.00004 -0.00011 0.00011 -0.00005 0.00012 -0.00005 -0.00010 -0.00060 0.00011 0.00008 0.00035 0.00001 -0.00000 0.00028 0.00007 0.00006 0.00000 -0.00004 0.00004 -0.00016 0.00003 0.00005 0.00015 -0.00009 0.00005 0.00002 -0.00007 -0.00004 0.00004 -0.00005 -0.00002 0.00056 0.00047 0.00031 0.00036 0.00027 0.00011 -0.00003 0.00010 -0.00001 0.00012 -0.00083 -0.00095 0.00070 0.00035 0.00033 -0.00010 -0.00027 -0.00007 -0.00024 0.00044 0.00066 0.00055 0.00033 0.00054 0.00043 0.00026 0.00037 0.00035 0.00006 0.00017 0.00015 0.00023 0.00034 0.00032 0.00008 -0.00005 -0.00009 -0.00003 -0.00015 -0.00019 0.00013 0.00001 -0.00003 0.00013 -0.00008 -0.00019 -0.00006 -0.00028 -0.00038 0.00022 0.00001 -0.00010 0.00068 0.00110 0.00048 0.00090 0.00063 0.00106 0.00044 0.00052 -0.00071 -0.00044 -0.00034 -0.00044 -0.00045 -0.00059 -0.00018 -0.00021 -0.00008 -0.00010 -0.00023 -0.00025 0.00001 0.00027 0.00015 0.00041 0.00009 0.00035 0.00035 0.00022 0.00046 0.00020 0.00037 0.00002 -0.00018 -0.00003 -0.00016 -0.00017 -0.00002 -0.00015 0.00013 0.00003 0.00018 0.00008 0.00051 0.00038 0.00031 0.00023 0.00027 0.00032 -0.00035 -0.00044 0.00015 0.00006 0.00011 -0.00054 -0.00078 -0.00034 -0.00004 -0.00027 -0.00062 -0.00030 -0.00064 -0.00011 -0.00046 -0.00053 -0.00083 -0.00044 -0.00013 3.15543 1.84399 1.83048 3.28297 1.86179 1.87515 3.17950 1.86136 1.82074 3.48923 3.35931 1.81701 1.84444 3.51438 1.85461 3.27578 3.42323 1.82099 3.45686 3.37776 1.89466 3.02953 3.44785 1.83859 3.05454 1.86747 1.90573 2.09542 1.89908 2.50590 1.84929 1.86421 3.03385 3.25661 1.82022 3.46723 3.45261 1.82423 1.82442 3.80939 3.65657 1.84189 1.81690 1.88019 1.85004 1.82134 1.85771 3.57503 1.84775 1.81641 1.84033 1.84395 1.93543 2.09189 1.87207 2.77391 1.87615 1.83095 2.07977 2.71043 2.29357 1.93991 1.88054 2.29381 1.81402 1.77473 1.71964 1.86214 2.01113 1.86543 1.82010 1.88847 2.06330 2.09010 1.71420 1.92872 1.74494 1.85385 1.65244 1.95446 2.30539 1.92974 1.85426 1.87944 2.05117 1.78080 1.77345 1.94172 2.00230 1.89344 2.77267 2.70205 1.87312 1.90422 1.68787 2.11604 2.12043 1.71106 1.84107 2.00127 2.03699 1.94114 2.07964 1.55793 1.92490 2.31958 1.88418 1.86270 1.97360 1.89791 2.05788 2.00669 1.74408 1.86072 1.95829 1.82184 2.12814 2.25969 1.88524 2.76598 2.10478 1.99452 1.86557 2.85298 2.78563 2.97404 2.87374 3.17763 3.14681 2.99718 3.18991 3.11007 3.01372 3.03882 2.88724 2.92884 3.06532 2.91261 2.99044 3.15088 3.06977 2.96150 3.17962 3.07453 3.03192 3.17540 3.00926 2.93528 3.13143 3.14690 3.02575 3.27515 3.24197 -0.00680 2.15118 -1.73206 2.23664 -1.88857 0.51138 3.06707 -1.09188 1.00136 0.90886 3.03309 -1.15684 1.38365 -0.69519 -0.74550 -2.82434 2.85035 0.38971 -3.03867 -1.03141 1.06273 -1.13502 0.85434 3.04484 -1.24899 -2.94073 1.05850 -0.83143 0.72697 -1.55698 2.83628 0.43874 -1.66965 2.67472 2.78966 0.68127 -1.25754 -1.55860 2.61620 0.67739 0.85635 -3.04736 -1.32191 -1.61582 0.76365 2.48910 2.78512 -1.11859 0.60686 -2.48073 1.39750 -0.66153 1.63307 -0.77188 -2.83091 -0.62200 -3.02695 1.19720 -3.01516 0.29888 -0.80995 2.50409 0.95940 -2.00974 2.95980 0.72964 2.53313 0.48759 -1.60097 0.85066 2.91834 -1.09101 -1.24912 0.76098 -3.02331 -1.01320 0.82082 2.83092 -1.28660 0.96269 0.43051 2.67980 2.87105 -1.16285 -0.95803 0.99316 -3.10049 1.06232 -1.04466 -3.11967 -1.31433 0.89058 3.12377 0.70364 2.90856 -1.14143 0.09573 2.16955 -1.90968 0.16413 1.19424 -3.04591 -0.88840 -0.75119 -2.95288 1.11200 0.11805 -2.36722 -0.97843 -2.98666 0.94931 -1.96552 2.07437 0.08408 -2.65244 2.12849 -0.12816 -1.94261 2.08392 0.06309 -2.19356 0.16613 -3.11441 -0.57080 1.80446 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000004 0.001721 0.000321 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.321774e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 1 1 2 2 3 3 4 4 4 5 6 6 9 10 10 11 12 12 12 14 14 14 14 15 16 17 17 17 19 20 20 20 22 23 23 23 26 26 26 26 29 29 32 32 35 35 35 38 38 41 41 33 43 45 6 10 12 38 5 8 34 10 7 9 35 11 16 20 13 21 37 15 18 39 46 41 23 18 19 25 32 21 22 25 29 24 43 44 27 28 45 46 30 31 33 34 36 37 42 39 40 42 44 1.6695 0.9758 0.9687 1.7374 0.9852 0.9923 1.6825 0.985 0.9635 1.8463 1.7778 0.9615 0.976 1.8598 0.9814 1.7333 1.8117 0.9636 1.8294 1.7876 1.0026 1.6031 1.8245 0.9729 1.6164 0.9882 1.0085 1.1089 1.0049 1.3259 0.9786 0.9865 1.6056 1.7233 0.9632 1.8348 1.8271 0.9653 0.9654 2.0157 1.9349 0.9747 0.9615 0.995 0.979 0.9638 0.9831 1.8919 0.9778 0.9612 0.9739 0.9758 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 33 33 43 6 5 5 8 4 2 2 7 2 2 2 5 5 11 3 3 3 13 13 21 15 15 15 18 18 39 18 18 19 11 11 11 21 21 22 12 20 16 16 16 24 24 43 27 27 27 28 28 45 22 22 30 19 19 33 9 9 9 36 36 37 3 3 39 14 15 15 42 23 14 1 1 1 2 4 4 4 5 6 6 6 10 10 10 10 10 10 12 12 12 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 20 20 20 21 22 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 39 41 41 41 44 46 43 45 45 10 8 34 34 10 7 9 9 5 11 16 11 16 16 13 21 37 21 37 37 18 39 46 39 46 46 19 25 25 21 22 25 22 25 25 20 29 24 43 44 43 44 44 28 45 46 45 46 46 30 31 31 33 34 34 36 37 42 37 42 42 39 40 40 38 42 44 44 41 26 110.8891 119.858 107.2619 158.9481 107.4964 104.9058 119.1653 155.2938 131.3997 111.1547 107.7481 131.4342 103.9365 101.6746 98.5374 106.6821 115.234 106.8795 104.278 108.1964 118.2311 119.7565 98.2119 110.5159 99.986 106.2157 94.665 111.9836 132.089 110.5657 106.2426 107.6855 117.5208 102.0365 101.6046 111.257 114.723 108.4866 158.8506 154.8176 107.3222 109.1066 96.7037 121.2437 121.4856 98.0387 105.4869 114.6489 116.6952 111.2303 119.156 89.2814 110.2897 132.9029 107.9514 106.7311 113.0799 108.7433 117.9061 114.9833 99.9355 106.6069 112.1972 104.3788 121.9347 129.471 108.017 158.4844 120.5855 114.2733 106.889 163.469 159.5935 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 12 6 10 14 10 14 17 17 1 4 12 35 1 1 12 6 10 14 10 14 17 17 1 4 12 35 1 3 9 11 15 16 18 19 25 33 34 37 42 43 45 3 9 11 15 16 18 19 25 33 34 37 42 43 38 35 20 41 23 17 32 20 32 32 35 41 23 26 38 35 20 41 23 17 32 20 32 32 35 41 23 1 1 1 1 14 1 2 4 2 3 1 2 4 3 1 1 1 1 14 1 2 4 2 3 1 2 4 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 170.3971 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 164.611 182.0654 180.297 171.732 182.7622 178.1968 172.6666 174.1144 165.4323 167.844 175.6236 166.8758 171.3195 180.5316 175.8848 169.6653 182.1749 176.1543 173.7164 181.9395 172.4156 168.1882 179.4162 180.3012 173.3537 187.6574 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 33 33 33 45 45 45 33 33 33 43 43 43 43 43 45 45 10 10 6 6 6 5 5 8 8 2 2 2 7 7 7 2 2 2 5 5 5 16 16 16 2 2 2 5 5 5 11 11 11 3 3 3 13 13 13 21 21 21 13 13 21 21 37 37 8 34 4 4 4 3 13 37 15 15 39 39 46 46 18 18 39 39 46 46 15 18 46 15 18 39 18 18 18 19 19 19 18 18 25 25 11 22 25 11 21 25 20 20 16 24 43 27 28 45 22 9 9 36 36 37 37 3 40 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 4 4 4 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 4 4 5 5 5 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 22 22 23 23 23 26 26 26 29 35 35 35 35 35 35 38 38 41 23 23 23 23 23 23 26 26 26 26 26 26 32 32 32 32 6 6 10 10 10 32 32 32 32 35 35 35 35 35 35 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 5 5 10 10 10 21 21 21 17 17 17 17 17 17 41 41 41 41 41 41 39 39 39 46 46 46 20 20 20 20 20 20 32 32 32 32 21 21 21 22 22 22 29 29 44 44 44 46 46 46 30 41 41 41 41 41 41 39 39 44 16 24 44 16 24 44 27 28 46 27 28 46 19 34 19 34 7 9 5 11 16 19 33 19 33 36 37 42 36 37 42 21 22 25 21 22 25 21 22 25 24 43 44 24 43 44 24 43 44 9 36 42 9 36 42 9 36 42 39 40 39 40 39 40 10 10 2 11 16 20 20 20 19 25 19 25 19 25 42 44 42 44 42 44 38 38 38 26 26 26 11 21 22 11 21 22 33 34 33 34 12 12 12 29 29 29 30 31 41 41 41 14 14 14 31 15 44 15 44 15 44 14 14 23 -0.3906 123.2576 -99.2372 128.1475 -108.2042 29.3009 175.6981 -62.5872 57.3563 52.0531 173.7678 -66.2887 79.2791 -39.8374 -42.7132 -161.8296 163.3606 22.3831 -174.1434 -59.1156 60.8711 -65.0257 48.9657 174.4604 -71.5482 -168.5172 60.6095 -47.6687 41.6335 -89.2398 162.482 25.123 -95.685 153.2305 159.8322 39.0242 -72.0603 -89.3144 149.8776 38.7931 49.0609 -174.5984 -75.735 -92.5781 43.7627 142.6261 159.568 -64.0913 34.7721 -142.143 80.0758 -37.892 93.5716 -44.2096 -162.1774 -35.6509 -173.4321 68.6001 -172.7945 17.0619 -46.4342 143.4222 54.9335 -115.2102 169.5588 41.7757 145.1787 27.9621 -91.709 48.7647 167.2347 -62.4764 -71.559 43.6129 -173.218 -58.0461 47.0424 162.2142 -73.7174 55.1426 24.6577 153.5177 164.4936 -66.6464 -54.9113 56.8912 -177.6714 60.8553 -59.8758 -178.745 -75.2954 51.0284 178.9882 40.3255 166.6493 -65.3909 5.4774 124.3039 -109.427 9.3995 68.3956 -174.5394 -50.9194 -43.0533 -169.2031 63.6943 6.7835 -135.6064 -56.0685 -171.1268 54.3852 -112.585 118.8971 4.8372 -151.9712 121.9687 -7.3079 -111.2866 119.4368 3.6212 -125.6555 9.5492 -178.3952 -32.6793 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0483896497 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4168,-.0441,3.5493;2.3497,-1.611,-.4388;-1.614,.3635,-3.0964;3.1781,1.2629,1.3493;2.9776,.3738,.9821;2.31,-2.8937,-1.5195;2.979,-3.0439,-2.1891;3.945,1.1708,1.9198;1.4523,-2.8431,-1.9764;2.0551,-.875,.154;1.5578,-.2709,-.4392;-.7123,.088,-3.4247;-.651,.3762,-4.339;-2.575,.3713,.2447;-2.2167,-.5635,.1484;1.058,-1.6363,1.2631;-.6308,2.1042,.3455;-1.4106,1.4726,.3649;-.0042,2.054,1.3242;.9295,1.0494,-1.4313;.4882,.8136,-2.2709;1.7296,1.6117,-1.5885;.3913,-2.0707,1.8532;.7887,-2.8837,2.1753;-.0508,1.7929,-.409;-3.3982,.3308,3.0338;-3.9621,-.3665,3.379;-3.7074,1.1416,3.447;3.1565,2.4333,-1.2891;3.3703,2.2121,-.3687;3.1921,3.3894,-1.3563;.678,1.9525,2.3465;.3075,1.1965,2.9021;1.614,1.7617,2.1249;-.2753,-2.443,-2.534;-.7152,-3.0985,-3.0806;-.4102,-1.5736,-2.9693;-3.0194,.8123,-2.4304;-3.0405,.7321,-1.4572;-3.8586,.4821,-2.7559;-1.6423,-2.0241,-.0182;-1.2197,-2.2304,-.8671;-.1634,-.8516,3.0638;-.9757,-2.2049,.6688;-1.3784,.022,3.4901;-3.104,.3809,1.0564; 0.000000 5.100356 0.000000 6.764960 5.164528 0.000000 4.412627 3.484643 6.598274 0.000000 4.276325 2.520466 6.141478 0.982593 0.000000 6.422443 1.677716 5.337982 5.124515 4.168965 0.000000 7.311555 2.347885 5.790445 5.577446 4.662296 0.958390 0.000000 4.812116 3.980770 7.531055 0.960285 1.565341 5.569754 5.964868 0.000000 6.470003 2.165059 4.575952 5.558558 4.629017 0.973101 1.554444 6.124156 0.000000 4.281218 0.989878 5.055888 2.694493 1.759616 2.634497 3.323776 3.297719 2.962324 0.000000 4.456273 1.556552 4.186188 2.859400 2.109845 2.934608 3.573691 3.652631 2.998414 0.981904 0.000000 6.981489 4.601918 0.998397 6.269480 5.754770 4.653447 4.996082 7.171241 3.921031 4.625292 3.767730 0.000000 7.902971 5.307027 1.572144 6.914133 6.440640 5.235410 5.431007 7.805634 4.513297 5.392239 4.528437 0.960626 0.000000 3.968735 5.352485 3.476526 5.925595 5.601360 6.134774 6.959402 6.779041 5.611124 4.795802 4.237964 4.124812 4.971102 0.000000 3.882678 4.721617 3.428045 5.820744 5.343617 5.357440 6.213768 6.641674 4.813804 4.283165 3.831171 3.931255 4.844735 1.005780 0.000000 3.152274 2.136729 5.490425 3.592662 2.793591 3.300178 4.193919 4.079895 3.479393 1.674480 2.238733 5.299338 6.193146 4.273968 3.621773 0.000000 3.863290 4.827065 3.980370 4.027723 4.052151 6.091367 6.779132 4.928204 5.848573 4.015757 3.323641 4.276218 4.993119 2.606306 3.109732 4.205377 0.000000 3.664529 4.928951 3.640309 4.697784 4.565649 6.038089 6.796331 5.584945 5.683613 4.191362 3.535272 4.094589 4.889355 1.607193 2.200570 4.070230 1.003673 0.000000 3.086019 4.699078 4.999087 3.279239 3.439693 6.158074 6.872483 4.090363 6.082524 3.766904 3.309779 5.188310 5.941844 3.256643 3.623393 3.840665 1.163137 1.798975 0.000000 5.273939 3.174791 3.116526 3.582329 3.236611 4.178673 4.639951 4.509718 3.965084 2.735593 1.766972 2.755653 3.377332 3.943380 3.872412 3.806475 2.589230 2.980209 3.077953 0.000000 5.952235 3.563723 2.302905 4.532438 4.119807 4.198520 4.592460 5.444172 3.793113 3.344680 2.382325 1.816310 2.401327 3.988318 3.881472 4.337737 3.124608 3.314669 3.834797 0.977401 0.000000 5.809066 3.477306 3.874445 3.293985 3.114170 4.543122 4.857536 4.172601 4.480214 3.053830 2.212339 3.414094 3.841769 4.840262 4.829200 4.374006 3.090978 3.700779 3.418384 0.990422 1.625918 0.000000 2.763561 3.049531 5.869019 4.374102 3.663762 3.966475 4.897191 4.810451 4.048144 2.661777 3.139253 5.808092 6.739220 4.165357 3.461168 0.990636 4.554955 4.244737 4.177334 4.562062 5.033543 5.214969 0.000000 3.377010 3.300073 6.641448 4.856513 4.101999 3.995758 4.885832 5.144570 4.204624 3.118418 3.775454 6.514935 7.425400 5.063301 4.303931 1.568664 5.499263 5.205048 5.072905 5.338236 5.790448 5.938015 0.960501 0.000000 4.379115 4.165245 3.421800 3.714570 3.622196 5.363783 5.978463 4.666549 5.119383 3.445218 2.616803 3.526822 4.220453 2.969789 3.248746 3.973006 1.001305 1.597061 1.753391 1.599627 2.171635 2.143282 4.498939 5.408689 0.000000 3.048703 6.990504 6.384640 6.852209 6.697863 7.981994 8.906997 7.474497 7.661750 6.283747 6.081551 6.998925 7.868124 2.908359 3.243626 5.182894 4.246184 3.518139 4.172661 6.259567 6.593670 7.021374 4.639139 5.347837 5.019512 0.000000 3.563975 7.480830 6.926522 7.599741 7.379170 8.349868 9.292475 8.186217 8.008064 6.845874 6.712439 7.553638 8.431016 3.506030 3.677188 5.593837 5.138433 4.356272 5.074024 7.005077 7.288237 7.809200 4.917838 5.509531 5.857460 0.960909 0.000000 3.499153 7.704838 6.914066 7.198920 7.166189 8.783975 9.694909 7.803326 8.480185 6.936664 6.694786 7.569771 8.399414 3.482942 4.001312 5.932567 4.473433 3.858052 4.364922 6.731092 7.099663 7.425500 5.446014 6.167212 5.353890 0.961123 1.530915 0.000000 6.505115 4.210711 5.505310 2.886447 3.071189 5.398753 5.553431 3.537347 5.587221 3.773670 3.254355 5.002902 5.294448 6.281287 6.318134 5.242062 4.138127 4.951516 4.118685 2.625821 3.272203 1.673590 6.148701 6.773454 3.386984 8.128470 8.961280 8.438791 0.000000 5.897771 3.957586 5.975023 1.972217 2.314841 5.340191 5.576007 2.579162 5.640770 3.396056 3.074931 5.524345 5.941791 6.253898 6.259864 4.777002 4.065769 4.893089 3.778677 2.904866 3.725656 2.130794 5.670432 6.253349 3.446923 7.805675 8.628927 8.111715 0.970421 0.000000 6.991267 5.153199 5.939968 3.441276 3.822068 6.346858 6.490478 4.027623 6.500465 4.664668 4.112159 5.515659 5.722452 6.703085 6.866214 6.055857 4.377488 5.274614 4.380015 3.255875 3.844825 2.313745 6.925182 7.589525 3.736669 8.488777 9.365451 8.702156 0.959160 1.546944 0.000000 2.575173 4.821925 6.115869 2.778539 3.105158 6.410517 7.129498 3.386186 6.502671 3.833844 3.671181 6.222258 6.996280 4.183287 4.420536 3.767959 2.395845 2.918855 1.233278 3.892406 4.759596 4.087350 4.063481 4.840462 2.854784 4.440396 5.289028 4.593496 4.426333 3.832586 4.700672 0.000000 1.575642 4.818120 6.353624 3.264282 3.390054 6.347441 7.144070 3.767838 6.436515 3.859718 3.857545 6.503652 7.350237 4.006490 4.129434 3.357740 2.870627 3.076690 1.822749 4.380284 5.190302 4.728643 3.432544 4.172269 3.383444 3.807737 4.571652 4.052095 5.216601 4.594619 5.591366 1.008648 0.000000 3.068246 4.299897 6.295866 1.815642 2.256459 5.953058 6.600561 2.413397 6.168577 3.321362 3.272499 6.245946 6.988082 4.797574 4.897740 3.549420 2.884950 3.511436 1.829066 3.690901 4.635714 3.718259 4.031949 4.718433 3.032110 5.291091 6.098777 5.518163 3.806069 3.083145 4.154334 0.980655 1.621859 0.000000 6.540716 3.460092 3.159953 6.382711 5.556854 2.813497 3.327165 7.120847 1.858885 3.887764 3.530816 2.718522 3.368557 4.574954 3.807483 4.104448 5.393947 5.002473 5.931470 3.855426 3.355232 4.621009 4.453082 4.848088 4.744311 6.960370 7.271023 7.771843 6.091401 6.296699 6.886736 6.636908 6.567877 6.553994 0.000000 7.305751 4.311054 3.576798 7.335060 6.496109 3.410396 3.800626 8.059057 2.445940 4.804313 4.487675 3.204967 3.696034 5.153244 4.371181 4.914319 6.229995 5.766286 6.815870 4.757107 4.172287 5.512588 5.159744 5.471119 5.612838 7.506296 7.728690 8.339174 6.985697 7.228251 7.767447 7.543685 7.435465 7.492979 0.960198 0.000000 6.695582 3.744544 2.284239 6.290588 5.557282 3.353223 3.775862 7.099493 2.463028 4.039920 3.460028 1.749158 2.394964 4.335691 3.742115 4.480272 4.956032 4.625660 5.635442 3.322711 2.644544 4.078142 4.913795 5.442492 4.244654 6.970733 7.373791 7.707942 5.621376 5.948670 6.341170 6.471107 6.531600 6.416618 0.981612 1.559032 0.000000 6.577465 6.218152 1.618667 7.273071 6.913877 6.554861 7.135025 8.219213 5.793445 5.939443 5.107771 2.614577 3.072854 2.747301 3.031046 6.021869 3.883305 3.292043 4.972927 4.080268 3.511231 4.888834 6.188176 7.026674 3.722918 5.498396 6.002189 5.926698 6.486335 6.858450 6.810187 6.147344 6.296949 6.566683 4.258863 4.585408 3.576384 0.000000 5.705306 5.964960 2.204035 6.843120 6.503539 6.463551 7.143344 7.771312 5.765119 5.580682 4.815273 3.115527 3.760506 1.800828 2.221497 5.459581 3.307410 2.554335 4.324624 3.982771 3.622214 4.852265 5.530950 6.397755 3.340986 4.523011 5.044216 4.966253 6.428496 6.668842 6.776221 5.457538 5.516178 5.962918 4.345941 4.766089 3.810615 0.976735 0.000000 7.202620 6.949278 2.273356 8.183920 7.792187 7.139759 7.714035 9.123171 6.314304 6.729158 5.939021 3.240656 3.578569 3.265438 3.496303 6.694279 4.761132 4.088106 5.828718 5.000255 4.386309 5.819480 6.769217 7.565895 4.661022 5.809924 6.194105 6.239708 7.427687 7.806936 7.753965 6.984076 7.062564 7.443764 4.630985 4.775672 4.020293 0.958737 1.555131 0.000000 4.260174 4.035326 3.895828 5.992558 5.300430 4.316338 5.206660 6.721726 3.752613 3.875755 3.673186 4.114689 5.041251 2.584042 1.578314 3.013987 4.265966 3.525332 4.595311 4.249480 4.203188 5.201431 2.764023 3.385269 4.153963 4.235929 4.435041 5.127754 6.671829 6.572312 7.380332 5.175836 4.764730 5.434122 2.893747 3.375289 3.229567 3.969926 3.409147 4.323001 0.000000 4.992936 3.647917 3.442952 6.037868 5.274358 3.650159 4.476347 6.783001 2.957209 3.688387 3.426003 3.489083 4.378567 3.137248 2.191823 3.174727 4.539398 3.907326 4.963461 3.961638 3.762111 4.896950 3.165564 3.703618 4.214637 5.150065 5.387466 6.014279 6.409332 6.407208 7.161424 5.605859 5.318237 5.737576 1.927551 2.430540 2.346387 3.865345 3.527048 4.229589 0.970564 0.000000 0.975674 4.377270 6.444249 4.309961 3.962407 5.594096 6.501783 4.719912 5.655064 3.659120 3.945929 6.579067 7.519731 3.906211 3.577437 2.313021 4.042727 3.773799 3.390281 5.001357 5.626351 5.594133 1.805473 2.413568 4.366456 3.444173 3.842473 4.084012 6.384354 5.801324 6.984423 3.014134 2.107740 3.296968 5.820648 6.565563 6.081083 6.411737 5.587850 7.021476 3.613905 4.297542 0.000000 3.643996 3.554934 4.602259 5.453642 4.730360 4.007289 4.950815 6.097002 3.646811 3.349544 3.374406 4.699269 5.643163 3.061793 2.122484 2.193763 4.334903 3.715615 4.417211 4.316293 4.460468 5.194200 1.813712 2.417338 4.242536 4.229825 4.432109 5.136129 6.513163 6.282822 7.264138 4.778416 4.266622 4.955918 3.287085 3.863210 3.735439 4.783784 4.172367 5.221049 0.974137 1.555368 2.868317 0.000000 0.965670 5.656986 6.599548 5.184991 5.038685 6.870288 7.787110 5.667801 6.789976 4.870642 4.913882 6.947105 7.870803 3.476588 3.494603 3.693982 3.844841 3.445652 3.272427 5.531907 6.107344 6.162670 3.192343 3.855864 4.483487 2.093543 2.615090 2.584468 7.015763 6.499033 7.464337 3.043563 2.137200 3.720894 6.601706 7.304204 6.723566 6.194284 5.267060 6.736099 4.069893 4.907545 1.555961 3.616759 0.000000 3.689966 5.995478 4.412063 6.350417 6.082052 6.831475 7.698356 7.145448 6.352302 5.385927 4.939048 5.087868 5.926885 0.968965 1.582301 4.629712 3.097075 2.130182 3.532664 4.785907 4.915489 5.645681 4.343113 5.202139 3.669233 1.999766 2.586318 2.580277 6.993437 6.877569 7.383312 4.293921 3.963625 5.030739 5.372816 5.909945 5.223259 3.514389 2.538787 3.887578 3.012528 3.750982 3.767658 3.371372 3.004855 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0436,1.5288,1.0693;1.9968,1.1319,1.7399;1.4419,-2.7919,-1.5718;.6058,3.621,-.2632;.9219,2.9931,.4234;3.0359,.1334,2.599;3.9845,.2637,2.6386;.6217,4.4999,.1235;2.8833,-.7703,2.272;1.235,1.4394,1.1877;1.3132,.9209,.3575;2.2781,-2.3366,-1.2713;2.991,-2.6802,-1.8159;-1.7694,-1.7906,-.6939;-1.3307,-1.8478,.2094;-.1074,.9981,2.0861;-.9828,.339,-1.9741;-1.3559,-.464,-1.5015;-1.3793,1.3347,-1.5222;1.5139,.3109,-1.2886;1.956,-.5537,-1.3996;2.0192,1.0358,-1.736;-.8972,.6464,2.5697;-.7862,.8782,3.4952;.0067,.3041,-1.8242;-4.455,-.9858,.0798;-4.9479,-1.4668,.7499;-5.0955,-.7613,-.6007;2.4912,2.5778,-2.1838;1.9249,3.163,-1.656;2.4106,2.8673,-3.0946;-1.7693,2.3815,-.9997;-2.3051,2.1463,-.1781;-1.011,2.9465,-.7399;2.2407,-2.3071,1.4468;2.5197,-3.1465,1.8202;2.3648,-2.3733,.4753;.0134,-3.4142,-2.0103;-.756,-2.9432,-1.6358;-.1706,-4.3522,-1.9368;-.6238,-1.9342,1.6179;.3305,-2.1108,1.6148;-2.3794,1.2231,1.7153;-.7448,-1.1009,2.1078;-3.5747,.7571,.8348;-2.7252,-1.7788,-.5351; 0.2784868 0.2609488 0.2142984 -19.27835 -19.25846 -19.25830 -19.25738 -19.25696 -19.24979 -19.24941 -19.24890 -19.24532 -19.24461 -19.24276 -19.24015 -19.24006 -19.23190 -19.22786 -1.17539 -1.16807 -1.15745 -1.15309 -1.14781 -1.14607 -1.14390 -1.14091 -1.13648 -1.13278 -1.12628 -1.12552 -1.11889 -1.11650 -1.11070 -0.68710 -0.68580 -0.68084 -0.67811 -0.67523 -0.67155 -0.66987 -0.66682 -0.66642 -0.66431 -0.65899 -0.65543 -0.65215 -0.64947 -0.64745 -0.64462 -0.56951 -0.56362 -0.55980 -0.55617 -0.54710 -0.53816 -0.52529 -0.52262 -0.51986 -0.51193 -0.50647 -0.50036 -0.49382 -0.49266 -0.48093 -0.46959 -0.46032 -0.45686 -0.45358 -0.45223 -0.44917 -0.44685 -0.44420 -0.44111 -0.44039 -0.43931 -0.43509 -0.42833 -0.42750 -0.12278 -0.10699 -0.09453 -0.08173 -0.07017 -0.05860 -0.05433 -0.05146 -0.03876 -0.02739 -0.02391 -0.01579 -0.00855 -0.00296 -0.00089 0.00783 0.00834 0.01361 0.01547 0.02000 0.02623 0.03150 0.03431 0.04143 0.04378 0.04605 0.05081 0.05245 0.06121 0.06278 0.06911 0.07124 0.07572 0.07849 0.08245 0.08798 0.09307 0.09706 0.10205 0.10339 0.10618 0.11077 0.11392 0.11464 0.11952 0.12317 0.12959 0.13099 0.13689 0.14206 0.14514 0.14767 0.15295 0.15491 0.15988 0.16601 0.16800 0.17214 0.17538 0.17675 0.18330 0.18458 0.18788 0.19528 0.19630 0.20107 0.20720 0.21384 0.21629 0.22278 0.22748 0.22824 0.22993 0.24245 0.24598 0.25892 0.26210 0.27500 0.27860 0.28767 0.30829 0.31815 0.32434 0.33535 0.33768 0.34775 0.35742 0.36591 0.37227 0.38931 0.39206 0.39871 0.40181 0.40621 0.41230 0.42065 0.44177 0.44695 0.45482 0.45750 0.46138 0.46649 0.47399 0.47961 0.48245 0.48737 0.49435 0.50438 0.50720 0.51519 0.53071 0.53230 0.54547 0.54780 0.54946 0.56291 0.57536 0.58026 0.58421 0.59168 0.59707 0.59760 0.81123 0.82801 0.83541 0.84050 0.84884 0.85564 0.86217 0.86697 0.87212 0.88430 0.88890 0.89338 0.89785 0.90399 0.90766 0.90948 0.91772 0.92408 0.92681 0.94144 0.94308 0.94410 0.94907 0.95493 0.95812 0.96356 0.96895 0.97421 0.98204 0.98463 0.99153 0.99204 0.99651 1.00258 1.00912 1.01777 1.02520 1.03364 1.03718 1.04744 1.05324 1.06115 1.07580 1.08201 1.09545 1.09886 1.11985 1.13097 1.13632 1.14263 1.15456 1.16030 1.16440 1.17171 1.18342 1.19317 1.20109 1.21331 1.21516 1.22317 1.23051 1.23542 1.24395 1.24973 1.26302 1.26402 1.26979 1.27988 1.28790 1.28989 1.29690 1.30618 1.31491 1.32189 1.32982 1.34044 1.34506 1.36139 1.37174 1.37281 1.38432 1.38856 1.40903 1.41619 1.42282 1.42897 1.44015 1.45088 1.45669 1.46500 1.47701 1.48178 1.49091 1.49251 1.50042 1.50866 1.51384 1.52367 1.53385 1.54868 1.56262 1.57470 1.58382 1.59344 1.59660 1.60180 1.61266 1.63378 1.64132 1.64995 1.65299 1.66720 1.67929 1.70298 1.70579 1.71707 1.72092 1.75168 1.76906 1.81078 1.84058 1.84613 1.90439 1.90926 1.91474 1.91864 1.92385 1.92987 1.93469 1.96629 2.03365 2.05860 2.08380 2.10711 2.12038 2.12334 2.14922 2.15237 2.17130 2.18661 2.18972 2.20619 2.20926 2.22384 2.23374 2.24175 2.25345 2.25742 2.26626 2.29470 2.31827 2.33670 2.35408 2.36684 2.38909 2.40094 2.41088 2.41691 2.43067 2.45132 2.45728 2.48009 2.52383 2.53222 2.53925 2.55414 2.57868 2.58789 2.58943 2.59793 2.61517 2.63084 2.64895 2.65372 2.67925 2.68426 2.70708 2.71680 2.72589 2.73421 2.74603 2.75995 2.80030 2.84733 2.95205 2.96037 2.96716 2.97126 2.97688 2.98703 2.99158 2.99640 2.99730 3.00494 3.00619 3.01812 3.02196 3.03036 3.03613 3.04140 3.04680 3.04825 3.05745 3.06273 3.07759 3.08243 3.09334 3.09929 3.10421 3.11541 3.12242 3.16624 3.17260 3.17946 3.18268 3.18978 3.19314 3.19929 3.20119 3.20503 3.20766 3.21036 3.22410 3.22618 3.23451 3.24676 3.25268 3.26239 3.48868 3.54049 3.57199 3.58568 3.59086 3.59665 3.60339 3.60561 3.60879 3.62197 3.62857 3.64114 3.66816 3.66834 3.68681 3.74743 3.75588 3.77805 3.78440 3.79377 3.79467 3.80162 3.80960 3.81477 3.82088 3.83761 3.84777 3.85191 3.86949 3.87688 3.90672 4.86037 4.86216 4.86862 4.87334 4.88298 4.89680 4.91896 4.92206 4.92995 4.93629 4.95481 4.96425 4.98535 5.03696 5.05832 5.22627 5.24410 5.26107 5.26304 5.27839 5.28534 5.31704 5.32207 5.34129 5.35645 5.37696 5.38642 5.41778 5.45140 5.48870 5.52532 5.54601 5.55234 5.56097 5.57038 5.57722 5.58348 5.59949 5.61189 5.62662 5.63381 5.64427 5.64570 5.66136 5.87394 49.73463 49.75342 49.76651 49.77475 49.77923 49.79252 49.80180 49.80453 49.80567 49.81146 49.82636 49.84348 49.85349 49.86135 49.87533 1-A. 0.7058 -2.7739 0.4784 2.9020 -39.9173 -52.0618 -80.7970 4.6899 -1.6667 1.8900 17.6747 5.5302 -23.2050 4.6899 -1.6667 1.8900 -118.9368 -17.8550 17.4052 63.3960 -109.0321 10.8182 38.7178 17.1801 -28.2764 -8.8672 -1329.6207 -1549.5290 -1422.6206 187.7960 147.0059 11.1733 87.0640 -131.9855 -62.8880 -746.6621 -557.6567 -543.6716 -23.0234 -15.7655 18.9907 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5441,-.0223,3.4402;2.386,-1.5735,-.4537;-1.5842,.346,-3.1729;3.237,1.293,1.3702;3.0598,.3985,.9978;2.2395,-2.9155,-1.5473;2.881,-3.3364,-2.1269;4.0182,1.2241,1.93;1.3831,-2.8968,-2.0151;2.1111,-.8327,.1348;1.603,-.2369,-.4568;-.6995,.038,-3.5003;-.649,.2736,-4.4333;-2.5895,.3816,.3343;-2.195,-.5342,.2302;1.1711,-1.6646,1.3301;-.66,2.1343,.2828;-1.4331,1.4916,.3616;-.039,2.1112,1.2013;.9057,1.07,-1.4998;.4989,.8024,-2.3486;1.6864,1.655,-1.6461;.5124,-2.1068,1.9194;.931,-2.8986,2.2739;-.0935,1.8007,-.4772;-3.4843,.1939,3.0514;-4.0263,-.5597,3.3166;-3.8452,.9516,3.5286;3.102,2.5148,-1.1699;3.3374,2.295,-.2499;3.4211,3.403,-1.3533;.6945,2.023,2.3023;.3074,1.2851,2.846;1.6352,1.8206,2.1216;-.3626,-2.5219,-2.5356;-.8309,-3.1855,-3.0546;-.4818,-1.6649,-3.0021;-2.9805,.8162,-2.3606;-3.0746,.7153,-1.3926;-3.8315,1.088,-2.7153;-1.5151,-1.9865,.0264;-1.1572,-2.2488,-.8405;-.2413,-.8522,3.0257;-.8372,-2.209,.692;-1.5122,-.0218,3.4088;-3.0986,.3656,1.1632; 0.000000 5.114075 0.000000 6.704456 5.180784 0.000000 4.506881 3.502460 6.691761 0.000000 4.373843 2.539571 6.242036 0.984969 0.000000 6.402650 1.737377 5.282064 5.217078 4.258270 0.000000 7.328461 2.480416 5.881427 5.812679 4.872881 0.961521 0.000000 4.964722 4.021469 7.628635 0.963492 1.571341 5.691339 6.208827 0.000000 6.460401 2.279260 4.545412 5.696604 4.769455 0.976023 1.565022 6.284029 0.000000 4.316522 0.985203 5.097523 2.704147 1.777818 2.680290 3.460686 3.330174 3.067978 0.000000 4.454546 1.549041 4.227828 2.889382 2.154491 2.961263 3.745530 3.696546 3.090560 0.981407 0.000000 6.942451 4.625905 0.992295 6.386882 5.873196 4.601646 5.108078 7.290458 3.893093 4.676670 3.826166 0.000000 7.879729 5.334788 1.571149 7.058338 6.577743 5.180967 5.550823 7.948384 4.475297 5.450607 4.598267 0.963626 0.000000 3.740762 5.403552 3.648545 5.987621 5.688090 6.142476 7.057340 6.849574 5.661147 4.858952 4.311051 4.288780 5.148477 0.000000 3.645777 4.746932 3.567731 5.843409 5.391856 5.338044 6.258843 6.677174 4.840016 4.317485 3.871098 4.059593 4.979041 1.002600 0.000000 3.176709 2.160125 5.648893 3.607939 2.816775 3.314440 4.203464 4.100068 3.571178 1.733322 2.327654 5.452520 6.347064 4.395446 3.717230 0.000000 3.825345 4.854695 3.999259 4.132391 4.166604 6.103840 6.947906 5.042462 5.896327 4.062487 3.360182 4.325260 5.069942 2.607214 3.079022 4.345232 0.000000 3.543947 4.964340 3.718590 4.781885 4.667460 6.046008 6.936343 5.678662 5.730408 4.244388 3.588227 4.191097 5.008965 1.603126 2.168370 4.204854 1.008470 0.000000 3.133606 4.711274 4.963550 3.380843 3.546386 6.165522 7.019881 4.216415 6.119420 3.798234 3.310441 5.180643 5.957981 3.201273 3.548224 3.967016 1.108944 1.741398 0.000000 5.262954 3.205290 3.085872 3.704274 3.365852 4.203064 4.869437 4.634091 4.028546 2.783044 1.811661 2.764681 3.414164 4.006719 3.896272 3.944218 2.600348 3.018695 3.045065 0.000000 5.939569 3.577279 2.286178 4.644108 4.233183 4.182659 4.780476 5.556075 3.818000 3.382343 2.424491 1.829364 2.437802 4.112524 3.961562 4.480042 3.168855 3.398980 3.821568 0.978594 0.000000 5.801648 3.512049 3.839423 3.410772 3.233417 4.604914 5.154818 4.290828 4.576810 3.088804 2.236217 3.427124 3.889822 4.881255 4.835177 4.488110 3.075082 3.713364 3.360489 0.986492 1.621977 0.000000 2.788293 3.070176 6.028500 4.391354 3.689883 3.956546 4.847016 4.835858 4.106315 2.713633 3.214406 5.953279 6.882685 4.280965 3.557621 0.988240 4.694704 4.377244 4.314101 4.683799 5.165240 5.314368 0.000000 3.436480 3.363427 6.820604 4.868690 4.126913 4.039043 4.833289 5.161949 4.312733 3.199434 3.872116 6.680064 7.585865 5.188026 4.420288 1.572018 5.641446 5.340361 5.214345 5.476468 5.937344 6.055803 0.963215 0.000000 4.344235 4.187300 3.406620 3.842215 3.752938 5.369407 6.161044 4.799205 5.158688 3.488473 2.651472 3.551532 4.276851 2.983690 3.220101 4.107752 1.004921 1.610529 1.707839 1.605597 2.202240 2.134378 4.623823 5.540924 0.000000 2.973643 7.061841 6.509658 7.015056 6.861807 7.973593 8.932739 7.655448 7.675496 6.392878 6.194696 7.120688 8.004166 2.866882 3.186197 5.299919 4.405387 3.623074 4.355393 6.383851 6.737721 7.137115 4.748547 5.446350 5.150840 0.000000 3.525563 7.507322 6.992655 7.744461 7.517137 8.274482 9.222310 8.355691 7.946698 6.918492 6.784677 7.608823 8.494776 3.441620 3.588880 5.672673 5.271950 4.434434 5.244681 7.083645 7.377475 7.884693 4.994581 5.579633 5.952440 0.965343 0.000000 3.442899 7.814235 7.098489 7.411718 7.374949 8.817170 9.778143 8.028850 8.536827 7.083708 6.854141 7.754666 8.606230 3.479288 3.976212 6.069652 4.698896 4.017412 4.609605 6.918809 7.309940 7.607329 5.561717 6.261821 5.553656 0.965438 1.536772 0.000000 6.401843 4.211807 5.538560 2.821838 3.029676 5.511266 5.933019 3.480564 5.740565 3.726876 3.213577 5.100632 5.453671 6.261440 6.270178 5.238840 4.050630 4.894841 3.956156 2.649522 3.331377 1.723327 6.132589 6.773302 3.346738 8.160004 8.966230 8.531306 0.000000 5.835532 3.988988 6.046845 1.907582 2.287042 5.480701 5.953496 2.522364 5.821535 3.381509 3.075988 5.652931 6.121935 6.255445 6.232446 4.782081 4.035958 4.876207 3.679684 2.996042 3.832761 2.254949 5.662424 6.255770 3.473763 7.864488 8.665678 8.226344 0.974686 0.000000 7.101639 5.161977 6.140709 3.450136 3.832107 6.430940 6.805098 3.985511 6.654224 4.676719 4.166282 5.736859 5.987034 6.935662 7.039175 6.159856 4.576200 5.491587 4.490767 3.433862 4.036475 2.479957 7.037699 7.685551 3.960666 8.796877 9.642326 9.090758 0.961464 1.565914 0.000000 2.648048 4.836429 6.162956 2.804670 3.152012 6.449413 7.288418 3.438524 6.581661 3.854825 3.680397 6.289128 7.087561 4.165538 4.379780 3.843255 2.434181 2.928340 1.325881 3.925406 4.812428 4.087701 4.151555 4.927370 2.897565 4.622704 5.475849 4.822950 4.253699 3.684158 4.764699 0.000000 1.669535 4.835265 6.378623 3.280378 3.431844 6.378002 7.260215 3.822626 6.501961 3.884446 3.860554 6.545559 7.411215 3.939159 4.051501 3.427032 2.868263 3.040408 1.872835 4.392091 5.220557 4.713579 3.522208 4.268432 3.386790 3.950951 4.733445 4.221544 5.044740 4.448151 5.640496 0.994983 0.000000 3.143883 4.326115 6.369433 1.846343 2.305373 6.021313 6.796743 2.463972 6.279269 3.348683 3.298872 6.342987 7.111748 4.807547 4.877788 3.603925 2.957548 3.552429 1.932383 3.769629 4.723449 3.771703 4.089748 4.773861 3.121255 5.451570 6.256638 5.724444 3.669801 2.957548 4.215312 0.979002 1.604507 0.000000 6.480093 3.576189 3.181721 6.539612 5.720747 2.811188 3.369143 7.291501 1.859843 4.012984 3.661497 2.756353 3.390883 4.650356 3.867608 4.246274 5.450967 5.064442 5.961159 3.947643 3.439241 4.736762 4.559048 4.994680 4.795331 6.952396 7.177832 7.808237 6.263985 6.489852 7.128762 6.721580 6.626056 6.673712 0.000000 7.229838 4.439838 3.612861 7.495582 6.663678 3.431106 3.829027 8.234349 2.462897 4.935938 4.622412 3.256827 3.728138 5.225060 4.436194 5.054355 6.282375 5.823102 6.840678 4.852084 4.262622 5.634843 5.263884 5.619580 5.661218 7.466213 7.595878 8.339057 7.177267 7.434892 8.023844 7.625736 7.489951 7.611534 0.963814 0.000000 6.648678 3.837618 2.299536 6.457206 5.727087 3.329596 3.855938 7.274722 2.443319 4.154018 3.586640 1.787566 2.415330 4.445393 3.828963 4.636773 5.025570 4.709865 5.667742 3.414929 2.734252 4.190664 5.040296 5.599488 4.305386 7.008207 7.328730 7.797945 5.802611 6.151587 6.605633 6.566638 6.597391 6.548450 0.983053 1.561063 0.000000 6.347300 6.176274 1.682454 7.266591 6.923722 6.468052 7.187171 8.219278 5.739945 5.905095 5.073640 2.665964 3.166473 2.757561 3.025386 6.083654 3.756313 3.203304 4.797557 3.988443 3.479405 4.795214 6.250042 7.111852 3.584882 5.470959 5.934423 5.953872 6.426473 6.823337 6.977533 6.058422 6.175675 6.511756 4.245874 4.595240 3.579211 0.000000 5.504828 5.994824 2.350970 6.913969 6.591246 6.437852 7.240404 7.848911 5.771089 5.623192 4.864369 3.246830 3.914653 1.824491 2.228987 5.576923 3.263604 2.524786 4.229871 3.997476 3.700153 4.859476 5.639162 6.522888 3.302010 4.493249 4.970693 4.986764 6.437235 6.701887 7.029864 5.437686 5.452378 5.979372 4.375033 4.797119 3.870134 0.977787 0.000000 7.066090 7.131329 2.410516 8.166844 7.858254 7.365420 8.060925 9.122205 6.600076 6.864880 6.032412 3.395315 3.707225 3.367710 3.739726 6.997660 4.488023 3.922107 5.547081 4.890688 4.355262 5.649108 7.110329 7.966581 4.414776 5.845952 6.255897 6.245376 7.245546 7.676524 7.733988 6.821687 6.935254 7.335992 5.009707 5.232716 4.345213 0.961199 1.568872 0.000000 4.056484 3.952132 3.959821 5.928172 5.249873 4.175670 5.077752 6.674454 3.659981 3.806835 3.607898 4.147381 5.074090 2.618585 1.616438 3.003083 4.216395 3.495156 4.511125 4.187064 4.180234 5.129056 2.776458 3.444803 4.076459 4.216975 4.378075 5.131023 6.558173 6.477231 7.437447 5.112540 4.687759 5.367274 2.859827 3.376101 3.215976 3.962357 3.427101 4.725973 0.000000 4.863930 3.627663 3.514956 6.061405 5.307592 3.532918 4.375390 6.820640 2.872714 3.693002 3.437098 3.537384 4.419099 3.217235 2.272273 3.236285 4.552019 3.938504 4.942566 3.962912 3.785049 4.896407 3.228752 3.805591 4.202639 5.150679 5.326018 6.046250 6.398495 6.418476 7.291518 5.617331 5.312633 5.755971 1.891894 2.426103 2.338668 3.876783 3.573076 4.669125 0.973855 0.000000 0.975802 4.419178 6.454545 4.409259 4.071132 5.596784 6.516818 4.863616 5.677034 3.727138 3.988522 6.602329 7.554481 3.778869 3.425343 2.351590 4.076500 3.743107 3.485825 5.048855 5.671792 5.641654 1.834762 2.475364 4.396611 3.407602 3.807370 4.061342 6.333818 5.782939 7.120105 3.108981 2.213890 3.388540 5.807869 6.539293 6.087097 6.268896 5.477755 7.043638 3.450394 4.211563 0.000000 3.524222 3.479268 4.692876 5.415074 4.698827 3.870330 4.800149 6.073973 3.568038 3.301051 3.341185 4.758474 5.697992 3.147972 2.204951 2.176344 4.366147 3.762792 4.422729 4.312035 4.483187 5.173582 1.827101 2.470710 4.242412 4.283450 4.447367 5.204210 6.426332 6.212966 7.335575 4.780055 4.261281 4.938992 3.277298 3.871778 3.750818 4.802524 4.231186 5.607648 0.975773 1.566099 2.764458 0.000000 0.968650 5.702818 6.592274 5.332941 5.185844 6.856463 7.805731 5.858712 6.787212 4.950227 4.969291 6.956910 7.894941 3.282617 3.291199 3.770886 3.891885 3.403180 3.404876 5.579659 6.153987 6.212491 3.265711 3.941210 4.520545 2.015731 2.572573 2.530741 6.977797 6.501799 7.664518 3.205523 2.309951 3.867479 6.550406 7.228276 6.697777 6.011948 5.102667 6.641878 3.911574 4.810598 1.565707 3.552482 0.000000 3.443897 6.037789 4.592978 6.406482 6.160680 6.826960 7.764274 7.209240 6.389839 5.443728 5.009247 5.254610 6.109827 0.972945 1.580076 4.730662 3.138544 2.164347 3.522773 4.860269 5.046355 5.696613 4.441179 5.303398 3.712344 1.934854 2.520663 2.548696 6.964903 6.866030 7.620055 4.293275 3.908733 5.044197 5.431824 5.961746 5.321643 3.554479 2.579742 4.012707 3.054849 3.823471 3.621575 3.458963 2.776509 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9454,1.5286,1.0402;2.0905,.9834,1.7446;1.3538,-2.8477,-1.6642;.8468,3.6515,-.1533;1.142,2.9959,.5199;3.015,-.2123,2.6014;3.922,-.2063,2.9204;.9295,4.5273,.2396;2.8216,-1.1102,2.2712;1.3652,1.3687,1.2004;1.4064,.8637,.36;2.2087,-2.4781,-1.3217;2.9151,-2.8837,-1.8366;-1.9501,-1.6108,-.7336;-1.4913,-1.695,.1539;-.0226,1.0478,2.1881;-.9288,.4174,-2.0146;-1.3905,-.3416,-1.5374;-1.2264,1.3916,-1.5762;1.5693,.2116,-1.3224;1.9913,-.6649,-1.4287;2.0951,.9181,-1.7668;-.8266,.7323,2.6684;-.7175,.9682,3.5959;.055,.2961,-1.8495;-4.5534,-.8147,.1653;-4.9936,-1.3346,.8493;-5.2515,-.5506,-.4471;2.5147,2.5466,-2.1433;1.9981,3.1643,-1.5942;2.7321,2.9928,-2.9668;-1.5816,2.53,-.9968;-2.1365,2.2885,-.207;-.8171,3.0611,-.6935;2.0518,-2.5785,1.4283;2.2403,-3.4537,1.7854;2.209,-2.6306,.4593;-.2173,-3.2701,-2.0931;-.9968,-2.8303,-1.6995;-.5285,-4.0116,-2.6195;-.6996,-1.8094,1.5585;.2224,-2.1221,1.5836;-2.3217,1.2311,1.7292;-.7412,-1.005,2.1091;-3.5381,.7867,.8493;-2.9005,-1.5302,-.5415; 0.2743228 0.2580763 0.2133291 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 522 522 522 522 522 MxSgAt= 46 MxSgA2= 46. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 516 RedAO= T EigKep= 1.49D-04 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 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= 518 517 518 518 518 MxSgAt= 46 MxSgA2= 46. 1 2.77681856e-01 -1.09133845e+00 1.88227289e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 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 1 0.000537344 0.001275516 0.001255885 0.000122137 0.000113026 0.000494287 -0.000412943 0.000399169 -0.000948125 -0.002435207 0.002994911 -0.001909084 0.000144757 -0.003265769 -0.000544876 0.000313303 0.000490842 0.002834216 0.002876849 -0.001654832 -0.002521056 0.002987792 0.000041083 0.001895201 -0.003215637 -0.000053084 -0.002179177 0.000306864 0.001162640 0.001181055 -0.000144311 0.000834458 -0.001227481 0.001832819 -0.000579132 0.002138505 0.000367312 0.000836583 -0.003052112 -0.000676024 0.001205455 -0.001534189 -0.000858699 0.000065758 0.000709190 0.001736020 -0.000130469 -0.000744246 -0.001899916 0.001769525 -0.001904730 0.000902800 0.000582552 -0.000087955 -0.000120486 -0.000331615 -0.000289421 0.000074238 -0.000715481 -0.000119968 -0.000329415 -0.000471541 -0.001775298 -0.000020589 -0.000164446 -0.001380215 -0.002776968 0.001188416 0.001156592 0.001276290 -0.002771948 0.001294316 -0.000918535 0.000013231 0.000848420 0.005426134 -0.000486941 -0.003615466 -0.002700725 -0.002964708 0.001529809 -0.001688825 0.003407503 0.001902004 -0.001293891 -0.001898959 -0.001146422 0.001372429 -0.000682108 0.004016062 0.001342255 0.003870714 -0.000990473 0.001498756 0.001171079 0.002434400 0.001268366 0.000880741 -0.000527049 0.001208372 0.000099473 0.000378377 0.001570481 -0.000315086 0.004792491 -0.001383897 -0.002458453 -0.002286502 -0.000498781 0.001660798 -0.001864348 0.002226392 0.000725893 -0.000402558 -0.000981665 -0.000069898 0.003230919 -0.003505975 -0.000457672 -0.001426159 -0.001710021 0.000410349 -0.000282924 0.001596257 -0.001628186 -0.002836709 0.000219356 -0.002552727 -0.001212152 0.002069485 -0.000927533 0.001812242 -0.004366889 -0.000375342 0.000352870 -0.001337407 -0.000243783 0.002551853 0.005426134 0.001774274 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1147.55423602869 -1147.55423670033 -0.000000671643 -1147.55423669758 0.000000002746 -1147.55423671104 -0.000000013459 -1147.55423671135 -0.000000000309 -1147.55423671139 -0.000000000039 -1147.55423671 6 1.143867678972e+03 -5.632544701523e+03 1.873263399950e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 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) PT39200.200S Tue Nov 5 12:31:53 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 46 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 H -0.645685 0.460426 0.439880 -0.683266 0.344883 -0.652097 0.300651 0.319099 0.370650 -0.755656 0.344722 -0.755342 0.314635 -0.771962 0.429238 0.392840 -0.618559 0.405614 0.490327 -0.848744 0.411358 0.461427 -0.728581 0.306509 0.394159 -0.597803 0.293684 0.291150 -0.613341 0.339325 0.294355 -0.684581 0.447600 0.389686 -0.711648 0.301117 0.398995 -0.659967 0.380554 0.299180 -0.672698 0.357183 0.356009 0.366244 0.336977 0.361453 1.00000 -19.27952 -19.27146 -19.25978 -19.25579 -19.25326 -19.24897 -19.24589 -19.24244 -19.24089 -19.23942 -19.23760 -19.23607 -19.23444 -19.22154 -19.22091 -1.18083 -1.16742 -1.15439 -1.14724 -1.14275 -1.13947 -1.13844 -1.13488 -1.12799 -1.12601 -1.12246 -1.12006 -1.11350 -1.10750 -1.10456 -0.68630 -0.68437 -0.68013 -0.67889 -0.67383 -0.66809 -0.66661 -0.66486 -0.66227 -0.65586 -0.65273 -0.64924 -0.64850 -0.64305 -0.63932 -0.63800 -0.56612 -0.56125 -0.55476 -0.55074 -0.54255 -0.53381 -0.51988 -0.51858 -0.51492 -0.50907 -0.50177 -0.49499 -0.48937 -0.48769 -0.47790 -0.46731 -0.46045 -0.45355 -0.45097 -0.44936 -0.44734 -0.44413 -0.43976 -0.43690 -0.43470 -0.43080 -0.42944 -0.42137 -0.41729 -0.12017 -0.10558 -0.09209 -0.08008 -0.06853 -0.05682 -0.05313 -0.04942 -0.03762 -0.02554 -0.02161 -0.01510 -0.00679 -0.00209 -0.00066 0.00955 0.01077 0.01623 0.01802 0.02088 0.03065 0.03435 0.03724 0.04136 0.04506 0.04702 0.05101 0.05606 0.06065 0.06595 0.06811 0.07078 0.07778 0.07971 0.08825 0.09039 0.09587 0.09686 0.10067 0.10982 0.11039 0.11174 0.11612 0.11766 0.12393 0.12837 0.13529 0.13609 0.14367 0.14447 0.14519 0.15157 0.15266 0.15479 0.16214 0.16502 0.16901 0.17049 0.17357 0.17600 0.17705 0.18255 0.18523 0.19198 0.19313 0.19606 0.20523 0.20921 0.21203 0.21878 0.22477 0.23048 0.23551 0.24559 0.25363 0.25660 0.26647 0.26898 0.27946 0.29291 0.30775 0.32297 0.32849 0.33448 0.34748 0.34826 0.35530 0.36746 0.37150 0.38845 0.39707 0.40545 0.40643 0.41487 0.42264 0.43316 0.44217 0.44766 0.45073 0.45417 0.46391 0.47038 0.47419 0.48099 0.48522 0.49668 0.49809 0.50425 0.50862 0.52683 0.52947 0.53281 0.53865 0.54702 0.55203 0.57228 0.57885 0.58125 0.58624 0.58948 0.59773 0.60504 0.81031 0.83686 0.83861 0.84985 0.85222 0.85526 0.85991 0.87073 0.87593 0.88245 0.89044 0.89424 0.90379 0.90704 0.91228 0.91498 0.92227 0.92601 0.92946 0.93443 0.94450 0.94780 0.95269 0.95521 0.96019 0.96487 0.96807 0.97516 0.98304 0.98354 0.98890 0.99251 0.99441 0.99861 1.01631 1.01800 1.01956 1.03104 1.03766 1.04354 1.05244 1.06173 1.06919 1.07987 1.10309 1.10501 1.12832 1.13412 1.14709 1.15400 1.16244 1.16663 1.16900 1.18091 1.18441 1.19411 1.20392 1.20756 1.22052 1.23054 1.23197 1.24248 1.25216 1.25398 1.25774 1.27361 1.27719 1.28303 1.28984 1.30034 1.30639 1.30906 1.32375 1.32593 1.33602 1.34742 1.35025 1.36042 1.37211 1.37758 1.38690 1.40538 1.40990 1.41409 1.41933 1.42761 1.43457 1.44158 1.44611 1.46601 1.47100 1.48395 1.49001 1.49470 1.49978 1.51013 1.51527 1.52433 1.53531 1.54321 1.56623 1.57039 1.57698 1.58890 1.59863 1.60350 1.62075 1.63877 1.64396 1.65522 1.66621 1.67214 1.67817 1.70752 1.72161 1.72645 1.73503 1.75519 1.77978 1.82064 1.83447 1.84111 1.90316 1.91042 1.91243 1.92371 1.92687 1.93744 1.93915 1.95829 2.05958 2.06815 2.08675 2.10782 2.12980 2.14180 2.14470 2.16151 2.16873 2.17703 2.18101 2.19311 2.20870 2.21092 2.22446 2.23105 2.24292 2.24873 2.27287 2.29644 2.30326 2.34329 2.34459 2.35084 2.36104 2.36897 2.38521 2.42000 2.42866 2.43879 2.44523 2.46331 2.49905 2.52306 2.53616 2.54725 2.56978 2.58288 2.58649 2.59273 2.61192 2.63570 2.64008 2.66029 2.67013 2.68029 2.69243 2.70985 2.72491 2.73095 2.74066 2.75969 2.79091 2.84291 2.95113 2.95595 2.96141 2.96898 2.97112 2.97651 2.98617 2.98678 2.99551 2.99828 3.00858 3.01186 3.01891 3.02834 3.03056 3.03409 3.03721 3.04368 3.04520 3.05229 3.06478 3.07089 3.07302 3.08266 3.09809 3.10399 3.11808 3.16600 3.16839 3.17899 3.18294 3.18556 3.19049 3.19583 3.19913 3.20380 3.21119 3.21873 3.22169 3.22612 3.23451 3.24075 3.24815 3.26154 3.47143 3.54379 3.58516 3.58916 3.59854 3.60241 3.60522 3.61449 3.62327 3.63115 3.63873 3.64469 3.66193 3.66829 3.67387 3.74775 3.75400 3.77692 3.77951 3.78579 3.79471 3.79737 3.80530 3.81337 3.82347 3.83199 3.83877 3.84621 3.86542 3.87419 3.89890 4.84201 4.85473 4.86471 4.86940 4.88320 4.90746 4.91962 4.92518 4.93029 4.93401 4.95364 4.95957 4.98389 5.03934 5.06002 5.23338 5.24591 5.26522 5.28249 5.29509 5.30075 5.31590 5.32290 5.34246 5.34857 5.37051 5.38979 5.41562 5.43646 5.47423 5.52220 5.53712 5.54894 5.55134 5.55612 5.56834 5.57357 5.59310 5.60002 5.60482 5.61904 5.62741 5.64996 5.66179 5.79589 49.72874 49.75820 49.77178 49.77921 49.78411 49.79287 49.79767 49.80175 49.80698 49.81481 49.82981 49.84108 49.85284 49.85908 49.87023 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 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 H -0.668814 0.442485 0.427691 -0.673741 0.338186 -0.674447 0.317916 0.318643 0.365776 -0.727506 0.335777 -0.731836 0.318345 -0.787547 0.424780 0.366273 -0.592702 0.416781 0.488069 -0.822539 0.414049 0.437131 -0.706268 0.309029 0.412686 -0.607039 0.294657 0.296838 -0.659825 0.354507 0.317663 -0.682949 0.419978 0.381476 -0.703385 0.301531 0.389883 -0.703114 0.378299 0.331605 -0.696063 0.377180 0.355306 0.361164 0.352161 0.391911 1.00000 3.34913215e-01 -1.23761615e+00 6.14335523e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.8513 -3.1457 0.1561 3.2626 -36.2985 -51.3585 -72.8178 6.5430 -0.9276 6.0881 17.1931 2.1331 -19.3262 6.5430 -0.9276 6.0881 -136.7334 -5.2813 19.7183 83.6259 -98.2551 10.2650 48.1280 -9.1346 -39.6177 -18.8767 -1229.4713 -1619.6815 -1370.7143 169.4839 101.1435 69.2074 117.5310 -74.8839 41.4845 -705.1094 -499.3413 -442.7041 -65.7546 -24.2153 41.0217 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.5542367 4.686E-9 8.728E-6 11.3067076,-15.4701035,4.1633959,-0.0963981,-5.8538208,2.0699517 C01 [X(H31O15)] -0.7012926 -0.5372003 -0.9312568 -0.000004264 -0.000018970 0.000008147 0.000009870 -0.000022343 0.000007135 0.000004924 0.000013351 0.000000187 0.000004312 0.000007137 -0.000010069 -0.000006607 -0.000008312 0.000008804 0.000013206 0.000009236 0.000000056 -0.000002020 -0.000002009 -0.000002806 0.000001266 0.000000378 0.000000232 -0.000016419 0.000008579 0.000003571 -0.000009677 0.000009787 -0.000008372 -0.000005955 0.000008125 -0.000005178 -0.000008701 -0.000018292 0.000007487 0.000001411 0.000005906 -0.000000515 -0.000001576 0.000008821 -0.000001411 -0.000007386 -0.000002787 -0.000007219 0.000001070 0.000001277 0.000000377 -0.000012205 0.000005168 0.000010789 -0.000003666 -0.000001674 -0.000000074 -0.000000511 -0.000001612 -0.000005397 0.000015334 -0.000004946 0.000031938 -0.000008656 -0.000010135 -0.000007689 -0.000015472 0.000008269 -0.000018014 0.000012709 0.000001075 -0.000018228 -0.000007759 0.000002391 0.000010131 0.000012916 -0.000009326 -0.000016122 -0.000006775 -0.000008162 0.000001246 -0.000005413 0.000003576 0.000002574 0.000002911 0.000001041 0.000002818 0.000005517 0.000003349 0.000016936 0.000000089 -0.000000689 -0.000006566 -0.000002065 -0.000003083 -0.000004797 0.000000990 0.000001685 0.000014065 0.000007816 0.000019692 -0.000014419 0.000000076 -0.000002381 -0.000000884 0.000000569 0.000007995 -0.000001129 -0.000001456 -0.000002357 0.000003521 0.000012444 -0.000001734 -0.000010257 0.000009993 -0.000001053 -0.000009416 -0.000007101 -0.000001167 0.000021099 -0.000003533 -0.000002549 0.000000443 0.000002857 0.000012936 -0.000004175 0.000006329 -0.000012943 0.000003530 -0.000001111 -0.000001106 0.000009023 -0.000007726 -0.000005193 -0.000003769 0.000003772 0.000007295 -0.000004046 0.000015674 -0.000004248 -0.000003557 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5441,-.0223,3.4402;2.386,-1.5735,-.4537;-1.5842,.346,-3.1729;3.237,1.293,1.3702;3.0598,.3985,.9978;2.2395,-2.9155,-1.5473;2.881,-3.3364,-2.1269;4.0182,1.2241,1.93;1.3831,-2.8968,-2.0151;2.1111,-.8327,.1348;1.603,-.2369,-.4568;-.6995,.038,-3.5003;-.649,.2736,-4.4333;-2.5895,.3816,.3343;-2.195,-.5342,.2302;1.1711,-1.6646,1.3301;-.66,2.1343,.2828;-1.4331,1.4916,.3616;-.039,2.1112,1.2013;.9057,1.07,-1.4998;.4989,.8024,-2.3486;1.6864,1.655,-1.6461;.5124,-2.1068,1.9194;.931,-2.8986,2.2739;-.0935,1.8007,-.4772;-3.4843,.1939,3.0514;-4.0263,-.5597,3.3166;-3.8452,.9516,3.5286;3.102,2.5148,-1.1699;3.3374,2.295,-.2499;3.4211,3.403,-1.3533;.6945,2.023,2.3023;.3074,1.2851,2.846;1.6352,1.8206,2.1216;-.3626,-2.5219,-2.5356;-.8309,-3.1855,-3.0546;-.4818,-1.6649,-3.0021;-2.9805,.8162,-2.3606;-3.0746,.7153,-1.3926;-3.8315,1.088,-2.7153;-1.5151,-1.9865,.0264;-1.1572,-2.2488,-.8405;-.2413,-.8522,3.0257;-.8372,-2.209,.692;-1.5122,-.0218,3.4088;-3.0986,.3656,1.1632; Gaussian 16 GINC-GARGANTILLA LAMSABHI Optimization 14H2OH3O CONF238 gas EM64L-G16RevC.01 132 C1[X(H31O15)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5441,-.0223,3.4402;2.386,-1.5735,-.4537;-1.5842,.346,-3.1729;3.237,1.293,1.3702;3.0598,.3985,.9978;2.2395,-2.9155,-1.5473;2.881,-3.3364,-2.1269;4.0182,1.2241,1.93;1.3831,-2.8968,-2.0151;2.1111,-.8327,.1348;1.603,-.2369,-.4568;-.6995,.038,-3.5003;-.649,.2736,-4.4333;-2.5895,.3816,.3343;-2.195,-.5342,.2302;1.1711,-1.6646,1.3301;-.66,2.1343,.2828;-1.4331,1.4916,.3616;-.039,2.1112,1.2013;.9057,1.07,-1.4998;.4989,.8024,-2.3486;1.6864,1.655,-1.6461;.5124,-2.1068,1.9194;.931,-2.8986,2.2739;-.0935,1.8007,-.4772;-3.4843,.1939,3.0514;-4.0263,-.5597,3.3166;-3.8452,.9516,3.5286;3.102,2.5148,-1.1699;3.3374,2.295,-.2499;3.4211,3.403,-1.3533;.6945,2.023,2.3023;.3074,1.2851,2.846;1.6352,1.8206,2.1216;-.3626,-2.5219,-2.5356;-.8309,-3.1855,-3.0546;-.4818,-1.6649,-3.0021;-2.9805,.8162,-2.3606;-3.0746,.7153,-1.3926;-3.8315,1.088,-2.7153;-1.5151,-1.9865,.0264;-1.1572,-2.2488,-.8405;-.2413,-.8522,3.0257;-.8372,-2.209,.692;-1.5122,-.0218,3.4088;-3.0986,.3656,1.1632; Optimization 14H2OH3O CONF238 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 46 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 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 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2OH3O/gas/CONF238/opt-b3lyp.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 1 1 2 2 3 3 4 4 4 5 6 6 9 10 10 11 12 12 12 14 14 14 14 15 16 17 17 17 19 20 20 20 22 23 23 23 26 26 26 26 29 29 32 32 35 35 35 38 38 41 41 33 43 45 6 10 12 38 5 8 34 10 7 9 35 11 16 20 13 21 37 15 18 39 46 41 23 18 19 25 32 21 22 25 29 24 43 44 27 28 45 46 30 31 33 34 36 37 42 39 40 42 44 1.6695 0.9758 0.9687 1.7374 0.9852 0.9923 1.6825 0.985 0.9635 1.8463 1.7778 0.9615 0.976 1.8598 0.9814 1.7333 1.8117 0.9636 1.8294 1.7876 1.0026 1.6031 1.8245 0.9729 1.6164 0.9882 1.0085 1.1089 1.0049 1.3259 0.9786 0.9865 1.6056 1.7233 0.9632 1.8348 1.8271 0.9653 0.9654 2.0157 1.9349 0.9747 0.9615 0.995 0.979 0.9638 0.9831 1.8919 0.9778 0.9612 0.9739 0.9758 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 33 33 43 6 5 5 8 4 2 2 7 2 2 2 5 5 11 3 3 3 13 13 21 15 15 15 18 18 39 18 18 19 11 11 11 21 21 22 12 20 16 16 16 24 24 43 27 27 27 28 28 45 22 22 30 19 19 33 9 9 9 36 36 37 3 3 39 14 15 15 42 23 14 1 1 1 2 4 4 4 5 6 6 6 10 10 10 10 10 10 12 12 12 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 20 20 20 21 22 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 39 41 41 41 44 46 43 45 45 10 8 34 34 10 7 9 9 5 11 16 11 16 16 13 21 37 21 37 37 18 39 46 39 46 46 19 25 25 21 22 25 22 25 25 20 29 24 43 44 43 44 44 28 45 46 45 46 46 30 31 31 33 34 34 36 37 42 37 42 42 39 40 40 38 42 44 44 41 26 110.8891 119.858 107.2619 158.9481 107.4964 104.9058 119.1653 155.2938 131.3997 111.1547 107.7481 131.4342 103.9365 101.6746 98.5374 106.6821 115.234 106.8795 104.278 108.1964 118.2311 119.7565 98.2119 110.5159 99.986 106.2157 94.665 111.9836 132.089 110.5657 106.2426 107.6855 117.5208 102.0365 101.6046 111.257 114.723 108.4866 158.8506 154.8176 107.3222 109.1066 96.7037 121.2437 121.4856 98.0387 105.4869 114.6489 116.6952 111.2303 119.156 89.2814 110.2897 132.9029 107.9514 106.7311 113.0799 108.7433 117.9061 114.9833 99.9355 106.6069 112.1972 104.3788 121.9347 129.471 108.017 158.4844 120.5855 114.2733 106.889 163.469 159.5935 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 12 6 10 14 10 14 17 17 1 4 12 35 1 1 12 6 10 14 10 14 17 17 1 4 12 35 1 1 3 9 11 15 16 18 19 25 33 34 37 42 43 45 3 9 11 15 16 18 19 25 33 34 37 42 43 45 38 35 20 41 23 17 32 20 32 32 35 41 23 26 38 35 20 41 23 17 32 20 32 32 35 41 23 26 1 1 1 1 14 1 2 4 2 3 1 2 4 3 1 1 1 1 14 1 2 4 2 3 1 2 4 3 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 170.3971 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 164.611 182.0654 180.297 171.732 182.7622 178.1968 172.6666 174.1144 165.4323 167.844 175.6236 166.8758 171.3195 180.5316 175.8848 169.6653 182.1749 176.1543 173.7164 181.9395 172.4156 168.1882 179.4162 180.3012 173.3537 187.6574 185.7485 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 33 33 33 45 45 45 33 33 33 43 43 43 43 43 45 45 10 10 6 6 6 5 5 8 8 2 2 2 7 7 7 2 2 2 5 5 5 16 16 16 2 2 2 5 5 5 11 11 11 3 3 3 13 13 13 21 21 21 13 13 21 21 37 37 8 34 4 4 4 3 13 37 15 15 39 39 46 46 18 18 39 39 46 46 15 18 46 15 18 39 18 18 18 19 19 19 18 18 25 25 11 22 25 11 21 25 20 20 16 24 43 27 28 45 22 9 9 36 36 37 37 3 40 15 42 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 4 4 4 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 4 4 5 5 5 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 22 22 23 23 23 26 26 26 29 35 35 35 35 35 35 38 38 41 41 23 23 23 23 23 23 26 26 26 26 26 26 32 32 32 32 6 6 10 10 10 32 32 32 32 35 35 35 35 35 35 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 5 5 10 10 10 21 21 21 17 17 17 17 17 17 41 41 41 41 41 41 39 39 39 46 46 46 20 20 20 20 20 20 32 32 32 32 21 21 21 22 22 22 29 29 44 44 44 46 46 46 30 41 41 41 41 41 41 39 39 44 44 16 24 44 16 24 44 27 28 46 27 28 46 19 34 19 34 7 9 5 11 16 19 33 19 33 36 37 42 36 37 42 21 22 25 21 22 25 21 22 25 24 43 44 24 43 44 24 43 44 9 36 42 9 36 42 9 36 42 39 40 39 40 39 40 10 10 2 11 16 20 20 20 19 25 19 25 19 25 42 44 42 44 42 44 38 38 38 26 26 26 11 21 22 11 21 22 33 34 33 34 12 12 12 29 29 29 30 31 41 41 41 14 14 14 31 15 44 15 44 15 44 14 14 23 23 -0.3906 123.2576 -99.2372 128.1475 -108.2042 29.3009 175.6981 -62.5872 57.3563 52.0531 173.7678 -66.2887 79.2791 -39.8374 -42.7132 -161.8296 163.3606 22.3831 -174.1434 -59.1156 60.8711 -65.0257 48.9657 174.4604 -71.5482 -168.5172 60.6095 -47.6687 41.6335 -89.2398 162.482 25.123 -95.685 153.2305 159.8322 39.0242 -72.0603 -89.3144 149.8776 38.7931 49.0609 -174.5984 -75.735 -92.5781 43.7627 142.6261 159.568 -64.0913 34.7721 -142.143 80.0758 -37.892 93.5716 -44.2096 -162.1774 -35.6509 -173.4321 68.6001 -172.7945 17.0619 -46.4342 143.4222 54.9335 -115.2102 169.5588 41.7757 145.1787 27.9621 -91.709 48.7647 167.2347 -62.4764 -71.559 43.6129 -173.218 -58.0461 47.0424 162.2142 -73.7174 55.1426 24.6577 153.5177 164.4936 -66.6464 -54.9113 56.8912 -177.6714 60.8553 -59.8758 -178.745 -75.2954 51.0284 178.9882 40.3255 166.6493 -65.3909 5.4774 124.3039 -109.427 9.3995 68.3956 -174.5394 -50.9194 -43.0533 -169.2031 63.6943 6.7835 -135.6064 -56.0685 -171.1268 54.3852 -112.585 118.8971 4.8372 -151.9712 121.9687 -7.3079 -111.2866 119.4368 3.6212 -125.6555 9.5492 -178.3952 -32.6793 103.3954 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00009 0.00019 0.00036 0.00037 0.00045 0.00060 0.00082 0.00096 0.00102 0.00123 0.00148 0.00156 0.00176 0.00206 0.00228 0.00245 0.00247 0.00298 0.00320 0.00364 0.00393 0.00417 0.00423 0.00471 0.00490 0.00499 0.00549 0.00562 0.00575 0.00624 0.00646 0.00661 0.00687 0.00709 0.00728 0.00748 0.00804 0.00824 0.00837 0.00879 0.00905 0.00924 0.00982 0.01020 0.01064 0.01080 0.01099 0.01136 0.01197 0.01214 0.01227 0.01313 0.01323 0.01350 0.01367 0.01416 0.01451 0.01485 0.01519 0.01592 0.01670 0.01679 0.01697 0.01724 0.01742 0.01816 0.01838 0.01897 0.01980 0.02049 0.02062 0.02084 0.02271 0.02381 0.02434 0.02502 0.02552 0.02667 0.02948 0.03110 0.03169 0.03475 0.03564 0.03809 0.04414 0.04564 0.04767 0.05032 0.05125 0.05196 0.05486 0.05631 0.05758 0.06110 0.06509 0.06783 0.08233 0.08669 0.08920 0.11289 0.22723 0.28954 0.30996 0.32512 0.34563 0.37220 0.39704 0.40702 0.41835 0.42059 0.43414 0.43852 0.45140 0.45397 0.46109 0.46348 0.46751 0.47022 0.47743 0.47999 0.48342 0.49634 0.50400 0.52651 0.53160 0.53382 0.53470 0.53571 0.53623 0.54227 0.54348 0.54381 Angle between quadratic step and forces= 78.56 degrees. 1 2 3 0.00199892 0.00000884 0.00000000 0.00001162 0.00000501 0.00000501 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 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 3.15496 1.84400 1.83048 3.28317 1.86176 1.87517 3.17938 1.86132 1.82074 3.48908 3.35959 1.81701 1.84442 3.51459 1.85459 3.27550 3.42354 1.82099 3.45700 3.37801 1.89464 3.02947 3.44779 1.83860 3.05462 1.86750 1.90573 2.09560 1.89903 2.50555 1.84927 1.86420 3.03414 3.25662 1.82021 3.46720 3.45272 1.82423 1.82441 3.80918 3.65634 1.84189 1.81690 1.88025 1.85005 1.82135 1.85770 3.57516 1.84775 1.81640 1.84032 1.84394 1.93538 2.09192 1.87207 2.77417 1.87617 1.83095 2.07983 2.71039 2.29336 1.94002 1.88056 2.29396 1.81403 1.77456 1.71980 1.86195 2.01121 1.86540 1.81999 1.88838 2.06352 2.09015 1.71412 1.92887 1.74509 1.85381 1.65222 1.95448 2.30539 1.92973 1.85428 1.87947 2.05113 1.78087 1.77333 1.94180 2.00229 1.89345 2.77247 2.70208 1.87313 1.90427 1.68780 2.11610 2.12032 1.71110 1.84109 2.00100 2.03671 1.94134 2.07966 1.55825 1.92492 2.31959 1.88411 1.86281 1.97362 1.89793 2.05785 2.00684 1.74420 1.86064 1.95821 1.82175 2.12816 2.25970 1.88525 2.76607 2.10461 1.99445 1.86557 2.85307 2.78543 2.97399 2.87300 3.17764 3.14678 2.99729 3.18980 3.11012 3.01360 3.03887 2.88734 2.92943 3.06521 2.91253 2.99009 3.15087 3.06977 2.96122 3.17955 3.07447 3.03192 3.17544 3.00922 2.93544 3.13140 3.14685 3.02559 3.27524 3.24192 -0.00682 2.15125 -1.73202 2.23660 -1.88852 0.51140 3.06651 -1.09235 1.00106 0.90850 3.03282 -1.15696 1.38368 -0.69529 -0.74549 -2.82446 2.85118 0.39066 -3.03938 -1.03176 1.06240 -1.13491 0.85461 3.04491 -1.24875 -2.94118 1.05784 -0.83198 0.72664 -1.55753 2.83585 0.43848 -1.67002 2.67438 2.78960 0.68110 -1.25769 -1.55883 2.61586 0.67707 0.85627 -3.04732 -1.32183 -1.61579 0.76380 2.48929 2.78499 -1.11860 0.60689 -2.48086 1.39759 -0.66134 1.63313 -0.77160 -2.83053 -0.62223 -3.02696 1.19730 -3.01583 0.29779 -0.81043 2.50319 0.95877 -2.01080 2.95936 0.72912 2.53385 0.48803 -1.60062 0.85110 2.91880 -1.09042 -1.24894 0.76119 -3.02322 -1.01310 0.82104 2.83117 -1.28661 0.96242 0.43036 2.67939 2.87096 -1.16320 -0.95838 0.99294 -3.10095 1.06213 -1.04503 -3.11969 -1.31415 0.89061 3.12393 0.70381 2.90858 -1.14129 0.09560 2.16951 -1.90986 0.16405 1.19373 -3.04629 -0.88871 -0.75142 -2.95315 1.11168 0.11839 -2.36678 -0.97858 -2.98673 0.94920 -1.96498 2.07515 0.08442 -2.65240 2.12876 -0.12755 -1.94232 2.08457 0.06320 -2.19310 0.16666 -3.11358 -0.57036 1.80459 0.00002 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -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 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 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 0.00001 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 -0.00001 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 -0.00001 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 0.00173 -0.00001 -0.00003 -0.00015 0.00002 0.00007 -0.00028 0.00003 0.00000 0.00054 -0.00011 -0.00001 0.00003 -0.00067 0.00002 -0.00021 -0.00037 0.00001 -0.00083 -0.00039 -0.00002 -0.00042 -0.00059 0.00002 0.00004 0.00001 0.00008 -0.00091 0.00021 0.00156 0.00009 -0.00001 -0.00100 0.00020 -0.00001 0.00039 0.00020 -0.00001 0.00000 0.00099 -0.00077 -0.00000 -0.00001 -0.00022 -0.00003 -0.00000 -0.00001 0.00011 0.00006 0.00002 -0.00001 -0.00001 0.00017 -0.00013 -0.00005 -0.00046 -0.00001 -0.00022 -0.00011 0.00029 0.00085 0.00011 0.00003 -0.00090 -0.00010 0.00071 -0.00004 0.00064 -0.00053 -0.00005 -0.00021 0.00136 -0.00131 0.00115 -0.00092 0.00010 -0.00022 0.00028 -0.00008 -0.00027 0.00019 0.00010 -0.00010 -0.00010 0.00032 0.00043 0.00024 -0.00008 -0.00053 -0.00029 0.00138 -0.00072 0.00014 -0.00006 0.00016 -0.00151 0.00060 0.00099 -0.00001 0.00097 0.00118 -0.00084 -0.00066 -0.00072 0.00025 0.00049 0.00010 -0.00022 -0.00004 -0.00015 -0.00019 0.00017 0.00004 0.00012 0.00015 -0.00031 -0.00069 -0.00142 -0.00016 -0.00034 0.00136 -0.00044 0.00005 -0.00071 0.00184 0.00071 0.00098 -0.00010 -0.00036 -0.00059 0.00031 -0.00015 0.00050 -0.00016 -0.00024 -0.00140 0.00046 0.00012 -0.00027 -0.00128 0.00046 0.00016 0.00025 0.00007 -0.00021 -0.00008 -0.00002 -0.00057 -0.00013 -0.00012 -0.00043 -0.00047 0.00062 0.00083 -0.00023 0.00036 0.00091 -0.00015 0.00044 0.00343 0.00344 0.00224 0.00346 0.00346 0.00227 -0.00087 -0.00049 -0.00071 -0.00034 -0.00400 -0.00572 0.00557 0.00479 0.00446 -0.00017 -0.00062 0.00010 -0.00034 0.00208 0.00209 0.00223 0.00042 0.00043 0.00057 0.00192 0.00147 0.00159 0.00088 0.00042 0.00055 0.00150 0.00105 0.00117 0.00087 -0.00094 0.00006 0.00085 -0.00096 0.00004 0.00092 -0.00090 0.00011 0.00143 0.00076 0.00092 -0.00090 -0.00157 -0.00141 0.00098 0.00032 0.00048 0.00142 0.02081 -0.00082 0.01857 -0.00140 0.01799 0.00155 0.00182 -0.00251 -0.00177 -0.00139 -0.00218 -0.00317 -0.00327 -0.00156 -0.00170 -0.00127 -0.00141 -0.00128 -0.00142 0.00104 0.00194 0.00090 0.00180 0.00128 0.00218 -0.00181 -0.00176 -0.00213 0.00619 0.00604 0.00633 -0.00021 0.00006 -0.00079 -0.00011 0.00016 -0.00069 0.00028 -0.00010 0.00044 0.00006 0.00152 0.00226 0.00139 0.00039 -0.00022 0.00074 -0.00019 -0.00181 0.00009 -0.00045 0.00023 -0.00753 -0.00811 -0.00653 -0.00134 -0.00113 -0.00182 -0.00118 -0.00187 -0.00124 -0.00193 0.00369 -0.01194 -0.00173 -0.00015 0.00173 -0.00001 -0.00003 -0.00015 0.00002 0.00008 -0.00027 0.00003 0.00000 0.00055 -0.00011 -0.00001 0.00003 -0.00067 0.00001 -0.00021 -0.00037 0.00001 -0.00083 -0.00039 -0.00002 -0.00042 -0.00059 0.00002 0.00004 0.00001 0.00008 -0.00091 0.00021 0.00156 0.00009 -0.00001 -0.00101 0.00020 -0.00001 0.00039 0.00019 -0.00001 0.00000 0.00099 -0.00077 -0.00000 -0.00001 -0.00022 -0.00003 -0.00000 -0.00002 0.00011 0.00006 0.00002 -0.00001 -0.00001 0.00017 -0.00013 -0.00005 -0.00046 -0.00001 -0.00022 -0.00011 0.00029 0.00085 0.00011 0.00003 -0.00090 -0.00010 0.00071 -0.00004 0.00064 -0.00053 -0.00005 -0.00021 0.00136 -0.00132 0.00115 -0.00092 0.00010 -0.00022 0.00028 -0.00008 -0.00027 0.00019 0.00010 -0.00010 -0.00010 0.00032 0.00043 0.00024 -0.00008 -0.00053 -0.00029 0.00138 -0.00072 0.00014 -0.00006 0.00016 -0.00151 0.00060 0.00099 -0.00001 0.00097 0.00118 -0.00084 -0.00067 -0.00072 0.00025 0.00049 0.00010 -0.00022 -0.00004 -0.00015 -0.00019 0.00017 0.00004 0.00012 0.00015 -0.00032 -0.00072 -0.00147 -0.00021 -0.00033 0.00136 -0.00044 0.00005 -0.00071 0.00184 0.00072 0.00098 -0.00010 -0.00036 -0.00059 0.00031 -0.00015 0.00050 -0.00016 -0.00024 -0.00140 0.00046 0.00012 -0.00027 -0.00128 0.00046 0.00016 0.00025 0.00007 -0.00021 -0.00008 -0.00002 -0.00057 -0.00013 -0.00012 -0.00043 -0.00047 0.00062 0.00083 -0.00023 0.00036 0.00091 -0.00015 0.00044 0.00343 0.00343 0.00223 0.00346 0.00346 0.00226 -0.00087 -0.00049 -0.00071 -0.00034 -0.00400 -0.00572 0.00557 0.00479 0.00446 -0.00017 -0.00062 0.00010 -0.00034 0.00208 0.00209 0.00223 0.00042 0.00043 0.00057 0.00192 0.00147 0.00159 0.00088 0.00043 0.00055 0.00150 0.00105 0.00117 0.00087 -0.00094 0.00006 0.00085 -0.00096 0.00004 0.00092 -0.00090 0.00011 0.00143 0.00076 0.00092 -0.00090 -0.00157 -0.00141 0.00098 0.00032 0.00048 0.00142 0.02080 -0.00082 0.01856 -0.00139 0.01799 0.00155 0.00182 -0.00251 -0.00177 -0.00139 -0.00218 -0.00317 -0.00327 -0.00156 -0.00170 -0.00127 -0.00141 -0.00128 -0.00142 0.00104 0.00194 0.00090 0.00180 0.00128 0.00218 -0.00181 -0.00176 -0.00213 0.00619 0.00604 0.00634 -0.00021 0.00006 -0.00079 -0.00011 0.00016 -0.00069 0.00028 -0.00010 0.00044 0.00006 0.00152 0.00226 0.00138 0.00039 -0.00022 0.00074 -0.00019 -0.00181 0.00009 -0.00045 0.00023 -0.00753 -0.00811 -0.00653 -0.00134 -0.00113 -0.00182 -0.00118 -0.00187 -0.00125 -0.00193 0.00369 -0.01196 -0.00173 -0.00015 3.15669 1.84399 1.83045 3.28301 1.86179 1.87524 3.17910 1.86135 1.82074 3.48963 3.35948 1.81700 1.84445 3.51392 1.85461 3.27530 3.42317 1.82100 3.45617 3.37762 1.89462 3.02904 3.44720 1.83861 3.05466 1.86751 1.90581 2.09469 1.89924 2.50711 1.84936 1.86419 3.03313 3.25682 1.82021 3.46759 3.45291 1.82423 1.82442 3.81017 3.65557 1.84189 1.81689 1.88002 1.85002 1.82134 1.85769 3.57527 1.84781 1.81642 1.84031 1.84393 1.93555 2.09179 1.87202 2.77371 1.87616 1.83073 2.07972 2.71067 2.29421 1.94012 1.88059 2.29306 1.81393 1.77527 1.71977 1.86259 2.01068 1.86535 1.81978 1.88974 2.06221 2.09129 1.71321 1.92897 1.74486 1.85409 1.65213 1.95421 2.30558 1.92984 1.85418 1.87936 2.05144 1.78131 1.77357 1.94172 2.00176 1.89316 2.77384 2.70135 1.87327 1.90421 1.68796 2.11459 2.12092 1.71209 1.84108 2.00197 2.03790 1.94049 2.07900 1.55754 1.92517 2.32009 1.88421 1.86259 1.97357 1.89778 2.05766 2.00701 1.74424 1.86076 1.95836 1.82144 2.12744 2.25823 1.88504 2.76575 2.10597 1.99400 1.86562 2.85236 2.78727 2.97471 2.87398 3.17754 3.14641 2.99670 3.19012 3.10997 3.01411 3.03871 2.88710 2.92803 3.06567 2.91265 2.98982 3.14959 3.07022 2.96137 3.17980 3.07454 3.03171 3.17536 3.00920 2.93487 3.13128 3.14673 3.02516 3.27477 3.24255 -0.00599 2.15102 -1.73166 2.23751 -1.88867 0.51184 3.06994 -1.08892 1.00329 0.91196 3.03628 -1.15469 1.38281 -0.69579 -0.74620 -2.82480 2.84718 0.38494 -3.03381 -1.02697 1.06686 -1.13509 0.85399 3.04501 -1.24909 -2.93910 1.05993 -0.82975 0.72706 -1.55710 2.83642 0.44040 -1.66855 2.67596 2.79048 0.68153 -1.25714 -1.55733 2.61691 0.67824 0.85715 -3.04826 -1.32176 -1.61494 0.76284 2.48933 2.78591 -1.11950 0.60700 -2.47944 1.39835 -0.66042 1.63223 -0.77317 -2.83194 -0.62124 -3.02664 1.19778 -3.01441 0.31859 -0.81125 2.52175 0.95738 -1.99281 2.96091 0.73095 2.53133 0.48626 -1.60201 0.84892 2.91563 -1.09369 -1.25050 0.75949 -3.02449 -1.01450 0.81976 2.82975 -1.28557 0.96436 0.43126 2.68119 2.87223 -1.16102 -0.96019 0.99118 -3.10308 1.06831 -1.03899 -3.11335 -1.31436 0.89068 3.12314 0.70371 2.90874 -1.14197 0.09587 2.16942 -1.90942 0.16412 1.19525 -3.04403 -0.88733 -0.75103 -2.95337 1.11242 0.11821 -2.36858 -0.97849 -2.98717 0.94943 -1.97251 2.06704 0.07789 -2.65374 2.12762 -0.12937 -1.94350 2.08270 0.06196 -2.19504 0.17035 -3.12554 -0.57209 1.80444 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000004 0.017583 0.001999 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.553104e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 531 A 516 A 516 788 531 75 75 1467.9069696318 46 46 46 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) -0.0475837420 0.000000 5.114075 0.000000 6.704456 5.180784 0.000000 4.506881 3.502460 6.691761 0.000000 4.373843 2.539571 6.242036 0.984969 0.000000 6.402650 1.737377 5.282064 5.217078 4.258270 0.000000 7.328461 2.480416 5.881427 5.812679 4.872881 0.961521 0.000000 4.964722 4.021469 7.628635 0.963492 1.571341 5.691339 6.208827 0.000000 6.460401 2.279260 4.545412 5.696604 4.769455 0.976023 1.565022 6.284029 0.000000 4.316522 0.985203 5.097523 2.704147 1.777818 2.680290 3.460686 3.330174 3.067978 0.000000 4.454546 1.549041 4.227828 2.889382 2.154491 2.961263 3.745530 3.696546 3.090560 0.981407 0.000000 6.942451 4.625905 0.992295 6.386882 5.873196 4.601646 5.108078 7.290458 3.893093 4.676670 3.826166 0.000000 7.879729 5.334788 1.571149 7.058338 6.577743 5.180967 5.550823 7.948384 4.475297 5.450607 4.598267 0.963626 0.000000 3.740762 5.403552 3.648545 5.987621 5.688090 6.142476 7.057340 6.849574 5.661147 4.858952 4.311051 4.288780 5.148477 0.000000 3.645777 4.746932 3.567731 5.843409 5.391856 5.338044 6.258843 6.677174 4.840016 4.317485 3.871098 4.059593 4.979041 1.002600 0.000000 3.176709 2.160125 5.648893 3.607939 2.816775 3.314440 4.203464 4.100068 3.571178 1.733322 2.327654 5.452520 6.347064 4.395446 3.717230 0.000000 3.825345 4.854695 3.999259 4.132391 4.166604 6.103840 6.947906 5.042462 5.896327 4.062487 3.360182 4.325260 5.069942 2.607214 3.079022 4.345232 0.000000 3.543947 4.964340 3.718590 4.781885 4.667460 6.046008 6.936343 5.678662 5.730408 4.244388 3.588227 4.191097 5.008965 1.603126 2.168370 4.204854 1.008470 0.000000 3.133606 4.711274 4.963550 3.380843 3.546386 6.165522 7.019881 4.216415 6.119420 3.798234 3.310441 5.180643 5.957981 3.201273 3.548224 3.967016 1.108944 1.741398 0.000000 5.262954 3.205290 3.085872 3.704274 3.365852 4.203064 4.869437 4.634091 4.028546 2.783044 1.811661 2.764681 3.414164 4.006719 3.896272 3.944218 2.600348 3.018695 3.045065 0.000000 5.939569 3.577279 2.286178 4.644108 4.233183 4.182659 4.780476 5.556075 3.818000 3.382343 2.424491 1.829364 2.437802 4.112524 3.961562 4.480042 3.168855 3.398980 3.821568 0.978594 0.000000 5.801648 3.512049 3.839423 3.410772 3.233417 4.604914 5.154818 4.290828 4.576810 3.088804 2.236217 3.427124 3.889822 4.881255 4.835177 4.488110 3.075082 3.713364 3.360489 0.986492 1.621977 0.000000 2.788293 3.070176 6.028500 4.391354 3.689883 3.956546 4.847016 4.835858 4.106315 2.713633 3.214406 5.953279 6.882685 4.280965 3.557621 0.988240 4.694704 4.377244 4.314101 4.683799 5.165240 5.314368 0.000000 3.436480 3.363427 6.820604 4.868690 4.126913 4.039043 4.833289 5.161949 4.312733 3.199434 3.872116 6.680064 7.585865 5.188026 4.420288 1.572018 5.641446 5.340361 5.214345 5.476468 5.937344 6.055803 0.963215 0.000000 4.344235 4.187300 3.406620 3.842215 3.752938 5.369407 6.161044 4.799205 5.158688 3.488473 2.651472 3.551532 4.276851 2.983690 3.220101 4.107752 1.004921 1.610529 1.707839 1.605597 2.202240 2.134378 4.623823 5.540924 0.000000 2.973643 7.061841 6.509658 7.015056 6.861807 7.973593 8.932739 7.655448 7.675496 6.392878 6.194696 7.120688 8.004166 2.866882 3.186197 5.299919 4.405387 3.623074 4.355393 6.383851 6.737721 7.137115 4.748547 5.446350 5.150840 0.000000 3.525563 7.507322 6.992655 7.744461 7.517137 8.274482 9.222310 8.355691 7.946698 6.918492 6.784677 7.608823 8.494776 3.441620 3.588880 5.672673 5.271950 4.434434 5.244681 7.083645 7.377475 7.884693 4.994581 5.579633 5.952440 0.965343 0.000000 3.442899 7.814235 7.098489 7.411718 7.374949 8.817170 9.778143 8.028850 8.536827 7.083708 6.854141 7.754666 8.606230 3.479288 3.976212 6.069652 4.698896 4.017412 4.609605 6.918809 7.309940 7.607329 5.561717 6.261821 5.553656 0.965438 1.536772 0.000000 6.401843 4.211807 5.538560 2.821838 3.029676 5.511266 5.933019 3.480564 5.740565 3.726876 3.213577 5.100632 5.453671 6.261440 6.270178 5.238840 4.050630 4.894841 3.956156 2.649522 3.331377 1.723327 6.132589 6.773302 3.346738 8.160004 8.966230 8.531306 0.000000 5.835532 3.988988 6.046845 1.907582 2.287042 5.480701 5.953496 2.522364 5.821535 3.381509 3.075988 5.652931 6.121935 6.255445 6.232446 4.782081 4.035958 4.876207 3.679684 2.996042 3.832761 2.254949 5.662424 6.255770 3.473763 7.864488 8.665678 8.226344 0.974686 0.000000 7.101639 5.161977 6.140709 3.450136 3.832107 6.430940 6.805098 3.985511 6.654224 4.676719 4.166282 5.736859 5.987034 6.935662 7.039175 6.159856 4.576200 5.491587 4.490767 3.433862 4.036475 2.479957 7.037699 7.685551 3.960666 8.796877 9.642326 9.090758 0.961464 1.565914 0.000000 2.648048 4.836429 6.162956 2.804670 3.152012 6.449413 7.288418 3.438524 6.581661 3.854825 3.680397 6.289128 7.087561 4.165538 4.379780 3.843255 2.434181 2.928340 1.325881 3.925406 4.812428 4.087701 4.151555 4.927370 2.897565 4.622704 5.475849 4.822950 4.253699 3.684158 4.764699 0.000000 1.669535 4.835265 6.378623 3.280378 3.431844 6.378002 7.260215 3.822626 6.501961 3.884446 3.860554 6.545559 7.411215 3.939159 4.051501 3.427032 2.868263 3.040408 1.872835 4.392091 5.220557 4.713579 3.522208 4.268432 3.386790 3.950951 4.733445 4.221544 5.044740 4.448151 5.640496 0.994983 0.000000 3.143883 4.326115 6.369433 1.846343 2.305373 6.021313 6.796743 2.463972 6.279269 3.348683 3.298872 6.342987 7.111748 4.807547 4.877788 3.603925 2.957548 3.552429 1.932383 3.769629 4.723449 3.771703 4.089748 4.773861 3.121255 5.451570 6.256638 5.724444 3.669801 2.957548 4.215312 0.979002 1.604507 0.000000 6.480093 3.576189 3.181721 6.539612 5.720747 2.811188 3.369143 7.291501 1.859843 4.012984 3.661497 2.756353 3.390883 4.650356 3.867608 4.246274 5.450967 5.064442 5.961159 3.947643 3.439241 4.736762 4.559048 4.994680 4.795331 6.952396 7.177832 7.808237 6.263985 6.489852 7.128762 6.721580 6.626056 6.673712 0.000000 7.229838 4.439838 3.612861 7.495582 6.663678 3.431106 3.829027 8.234349 2.462897 4.935938 4.622412 3.256827 3.728138 5.225060 4.436194 5.054355 6.282375 5.823102 6.840678 4.852084 4.262622 5.634843 5.263884 5.619580 5.661218 7.466213 7.595878 8.339057 7.177267 7.434892 8.023844 7.625736 7.489951 7.611534 0.963814 0.000000 6.648678 3.837618 2.299536 6.457206 5.727087 3.329596 3.855938 7.274722 2.443319 4.154018 3.586640 1.787566 2.415330 4.445393 3.828963 4.636773 5.025570 4.709865 5.667742 3.414929 2.734252 4.190664 5.040296 5.599488 4.305386 7.008207 7.328730 7.797945 5.802611 6.151587 6.605633 6.566638 6.597391 6.548450 0.983053 1.561063 0.000000 6.347300 6.176274 1.682454 7.266591 6.923722 6.468052 7.187171 8.219278 5.739945 5.905095 5.073640 2.665964 3.166473 2.757561 3.025386 6.083654 3.756313 3.203304 4.797557 3.988443 3.479405 4.795214 6.250042 7.111852 3.584882 5.470959 5.934423 5.953872 6.426473 6.823337 6.977533 6.058422 6.175675 6.511756 4.245874 4.595240 3.579211 0.000000 5.504828 5.994824 2.350970 6.913969 6.591246 6.437852 7.240404 7.848911 5.771089 5.623192 4.864369 3.246830 3.914653 1.824491 2.228987 5.576923 3.263604 2.524786 4.229871 3.997476 3.700153 4.859476 5.639162 6.522888 3.302010 4.493249 4.970693 4.986764 6.437235 6.701887 7.029864 5.437686 5.452378 5.979372 4.375033 4.797119 3.870134 0.977787 0.000000 7.066090 7.131329 2.410516 8.166844 7.858254 7.365420 8.060925 9.122205 6.600076 6.864880 6.032412 3.395315 3.707225 3.367710 3.739726 6.997660 4.488023 3.922107 5.547081 4.890688 4.355262 5.649108 7.110329 7.966581 4.414776 5.845952 6.255897 6.245376 7.245546 7.676524 7.733988 6.821687 6.935254 7.335992 5.009707 5.232716 4.345213 0.961199 1.568872 0.000000 4.056484 3.952132 3.959821 5.928172 5.249873 4.175670 5.077752 6.674454 3.659981 3.806835 3.607898 4.147381 5.074090 2.618585 1.616438 3.003083 4.216395 3.495156 4.511125 4.187064 4.180234 5.129056 2.776458 3.444803 4.076459 4.216975 4.378075 5.131023 6.558173 6.477231 7.437447 5.112540 4.687759 5.367274 2.859827 3.376101 3.215976 3.962357 3.427101 4.725973 0.000000 4.863930 3.627663 3.514956 6.061405 5.307592 3.532918 4.375390 6.820640 2.872714 3.693002 3.437098 3.537384 4.419099 3.217235 2.272273 3.236285 4.552019 3.938504 4.942566 3.962912 3.785049 4.896407 3.228752 3.805591 4.202639 5.150679 5.326018 6.046250 6.398495 6.418476 7.291518 5.617331 5.312633 5.755971 1.891894 2.426103 2.338668 3.876783 3.573076 4.669125 0.973855 0.000000 0.975802 4.419178 6.454545 4.409259 4.071132 5.596784 6.516818 4.863616 5.677034 3.727138 3.988522 6.602329 7.554481 3.778869 3.425343 2.351590 4.076500 3.743107 3.485825 5.048855 5.671792 5.641654 1.834762 2.475364 4.396611 3.407602 3.807370 4.061342 6.333818 5.782939 7.120105 3.108981 2.213890 3.388540 5.807869 6.539293 6.087097 6.268896 5.477755 7.043638 3.450394 4.211563 0.000000 3.524222 3.479268 4.692876 5.415074 4.698827 3.870330 4.800149 6.073973 3.568038 3.301051 3.341185 4.758474 5.697992 3.147972 2.204951 2.176344 4.366147 3.762792 4.422729 4.312035 4.483187 5.173582 1.827101 2.470710 4.242412 4.283450 4.447367 5.204210 6.426332 6.212966 7.335575 4.780055 4.261281 4.938992 3.277298 3.871778 3.750818 4.802524 4.231186 5.607648 0.975773 1.566099 2.764458 0.000000 0.968650 5.702818 6.592274 5.332941 5.185844 6.856463 7.805731 5.858712 6.787212 4.950227 4.969291 6.956910 7.894941 3.282617 3.291199 3.770886 3.891885 3.403180 3.404876 5.579659 6.153987 6.212491 3.265711 3.941210 4.520545 2.015731 2.572573 2.530741 6.977797 6.501799 7.664518 3.205523 2.309951 3.867479 6.550406 7.228276 6.697777 6.011948 5.102667 6.641878 3.911574 4.810598 1.565707 3.552482 0.000000 3.443897 6.037789 4.592978 6.406482 6.160680 6.826960 7.764274 7.209240 6.389839 5.443728 5.009247 5.254610 6.109827 0.972945 1.580076 4.730662 3.138544 2.164347 3.522773 4.860269 5.046355 5.696613 4.441179 5.303398 3.712344 1.934854 2.520663 2.548696 6.964903 6.866030 7.620055 4.293275 3.908733 5.044197 5.431824 5.961746 5.321643 3.554479 2.579742 4.012707 3.054849 3.823471 3.621575 3.458963 2.776509 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9454,1.5286,1.0402;2.0905,.9834,1.7446;1.3538,-2.8477,-1.6642;.8468,3.6515,-.1533;1.142,2.9959,.5199;3.015,-.2123,2.6014;3.922,-.2063,2.9204;.9295,4.5273,.2396;2.8216,-1.1102,2.2712;1.3652,1.3687,1.2004;1.4064,.8637,.36;2.2087,-2.4781,-1.3217;2.9151,-2.8837,-1.8366;-1.9501,-1.6108,-.7336;-1.4913,-1.695,.1539;-.0226,1.0478,2.1881;-.9288,.4174,-2.0146;-1.3905,-.3416,-1.5374;-1.2264,1.3916,-1.5762;1.5693,.2116,-1.3224;1.9913,-.6649,-1.4287;2.0951,.9181,-1.7668;-.8266,.7323,2.6684;-.7175,.9682,3.5959;.055,.2961,-1.8495;-4.5534,-.8147,.1653;-4.9936,-1.3346,.8493;-5.2515,-.5506,-.4471;2.5147,2.5466,-2.1433;1.9981,3.1643,-1.5942;2.7321,2.9928,-2.9668;-1.5816,2.53,-.9968;-2.1365,2.2885,-.207;-.8171,3.0611,-.6935;2.0518,-2.5785,1.4283;2.2403,-3.4537,1.7854;2.209,-2.6306,.4593;-.2173,-3.2701,-2.0931;-.9968,-2.8303,-1.6995;-.5285,-4.0116,-2.6195;-.6996,-1.8094,1.5585;.2224,-2.1221,1.5836;-2.3217,1.2311,1.7292;-.7412,-1.005,2.1091;-3.5381,.7867,.8493;-2.9005,-1.5302,-.5415; 0.2743228 0.2580763 0.2133291 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= 516 RedAO= T EigKep= 1.49D-04 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 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= 518 517 518 518 518 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.55423671136 -1147.55423671 1 1.143867681918e+03 -5.632544709303e+03 1.873263404784e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 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= 46. Will process 47 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 14052 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=8971287269. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 133386 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 3.31D-14 1.00D-09 XBig12= 6.24D+01 1.07D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 3.31D-14 1.00D-09 XBig12= 2.13D+00 1.48D-01. 138 vectors produced by pass 2 Test12= 3.31D-14 1.00D-09 XBig12= 1.94D-02 1.04D-02. 138 vectors produced by pass 3 Test12= 3.31D-14 1.00D-09 XBig12= 4.97D-05 5.06D-04. 138 vectors produced by pass 4 Test12= 3.31D-14 1.00D-09 XBig12= 8.16D-08 3.81D-05. 77 vectors produced by pass 5 Test12= 3.31D-14 1.00D-09 XBig12= 7.41D-11 7.91D-07. 4 vectors produced by pass 6 Test12= 3.31D-14 1.00D-09 XBig12= 4.94D-14 2.92D-08. 1 vectors produced by pass 7 Test12= 3.31D-14 1.00D-09 XBig12= 5.53D-17 1.31D-09. InvSVY: IOpt=1 It= 1 EMax= 1.69D-14 Solved reduced A of dimension 772 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 130.45 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 133.738 0.064 133.256 -0.590 1.578 124.364 153.599 -0.106 153.968 -0.204 1.911 150.001 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT17369.600S Tue Nov 5 13:08:46 2024 -19.27952 -19.27146 -19.25978 -19.25579 -19.25326 -19.24897 -19.24589 -19.24244 -19.24089 -19.23942 -19.23760 -19.23607 -19.23444 -19.22154 -19.22091 -1.18083 -1.16742 -1.15439 -1.14724 -1.14275 -1.13947 -1.13844 -1.13488 -1.12799 -1.12601 -1.12246 -1.12006 -1.11350 -1.10750 -1.10456 -0.68630 -0.68437 -0.68013 -0.67889 -0.67383 -0.66809 -0.66661 -0.66486 -0.66227 -0.65586 -0.65273 -0.64924 -0.64850 -0.64305 -0.63932 -0.63800 -0.56612 -0.56125 -0.55476 -0.55074 -0.54255 -0.53381 -0.51988 -0.51858 -0.51492 -0.50907 -0.50177 -0.49499 -0.48937 -0.48769 -0.47790 -0.46731 -0.46045 -0.45355 -0.45097 -0.44936 -0.44734 -0.44413 -0.43976 -0.43690 -0.43470 -0.43080 -0.42944 -0.42137 -0.41729 -0.12017 -0.10558 -0.09209 -0.08008 -0.06853 -0.05682 -0.05313 -0.04942 -0.03762 -0.02554 -0.02161 -0.01510 -0.00679 -0.00209 -0.00066 0.00955 0.01077 0.01623 0.01802 0.02088 0.03065 0.03435 0.03724 0.04136 0.04506 0.04702 0.05101 0.05606 0.06065 0.06595 0.06811 0.07078 0.07778 0.07971 0.08825 0.09039 0.09587 0.09686 0.10067 0.10982 0.11039 0.11174 0.11612 0.11766 0.12393 0.12837 0.13529 0.13609 0.14367 0.14447 0.14519 0.15157 0.15266 0.15479 0.16214 0.16502 0.16901 0.17049 0.17357 0.17600 0.17705 0.18255 0.18523 0.19198 0.19313 0.19606 0.20523 0.20921 0.21203 0.21878 0.22477 0.23048 0.23551 0.24559 0.25363 0.25660 0.26647 0.26898 0.27946 0.29291 0.30775 0.32297 0.32849 0.33448 0.34748 0.34826 0.35530 0.36746 0.37150 0.38845 0.39707 0.40545 0.40643 0.41487 0.42264 0.43316 0.44217 0.44766 0.45073 0.45417 0.46391 0.47038 0.47419 0.48099 0.48522 0.49668 0.49809 0.50425 0.50862 0.52683 0.52947 0.53281 0.53865 0.54702 0.55203 0.57228 0.57885 0.58125 0.58624 0.58948 0.59773 0.60504 0.81031 0.83686 0.83861 0.84985 0.85222 0.85526 0.85991 0.87073 0.87593 0.88245 0.89044 0.89424 0.90379 0.90704 0.91228 0.91498 0.92227 0.92601 0.92946 0.93443 0.94450 0.94780 0.95269 0.95521 0.96019 0.96487 0.96807 0.97516 0.98304 0.98354 0.98890 0.99251 0.99441 0.99861 1.01631 1.01800 1.01956 1.03104 1.03766 1.04354 1.05244 1.06173 1.06919 1.07987 1.10309 1.10501 1.12832 1.13412 1.14709 1.15400 1.16244 1.16663 1.16900 1.18091 1.18441 1.19411 1.20392 1.20756 1.22052 1.23054 1.23197 1.24248 1.25216 1.25398 1.25774 1.27361 1.27719 1.28303 1.28984 1.30034 1.30639 1.30906 1.32375 1.32593 1.33602 1.34742 1.35025 1.36042 1.37211 1.37758 1.38690 1.40538 1.40990 1.41409 1.41933 1.42761 1.43457 1.44158 1.44611 1.46601 1.47100 1.48395 1.49001 1.49470 1.49978 1.51013 1.51527 1.52433 1.53531 1.54321 1.56623 1.57039 1.57698 1.58890 1.59863 1.60350 1.62075 1.63877 1.64396 1.65522 1.66621 1.67214 1.67817 1.70752 1.72161 1.72645 1.73503 1.75519 1.77978 1.82064 1.83447 1.84111 1.90316 1.91042 1.91243 1.92371 1.92687 1.93744 1.93915 1.95829 2.05958 2.06815 2.08675 2.10782 2.12980 2.14180 2.14470 2.16151 2.16873 2.17703 2.18101 2.19311 2.20870 2.21092 2.22446 2.23105 2.24292 2.24873 2.27287 2.29644 2.30326 2.34329 2.34459 2.35084 2.36104 2.36897 2.38521 2.42000 2.42866 2.43879 2.44523 2.46331 2.49905 2.52306 2.53616 2.54725 2.56978 2.58288 2.58649 2.59273 2.61192 2.63570 2.64008 2.66029 2.67013 2.68029 2.69243 2.70985 2.72491 2.73095 2.74066 2.75969 2.79091 2.84291 2.95113 2.95595 2.96141 2.96898 2.97112 2.97651 2.98617 2.98678 2.99550 2.99828 3.00858 3.01186 3.01891 3.02834 3.03056 3.03409 3.03721 3.04368 3.04520 3.05229 3.06478 3.07089 3.07302 3.08266 3.09809 3.10399 3.11808 3.16600 3.16839 3.17899 3.18294 3.18556 3.19049 3.19583 3.19913 3.20380 3.21119 3.21873 3.22169 3.22612 3.23451 3.24075 3.24815 3.26154 3.47143 3.54379 3.58516 3.58916 3.59854 3.60241 3.60522 3.61449 3.62327 3.63115 3.63873 3.64469 3.66193 3.66829 3.67387 3.74775 3.75400 3.77692 3.77951 3.78579 3.79471 3.79737 3.80530 3.81337 3.82347 3.83199 3.83877 3.84621 3.86542 3.87419 3.89890 4.84201 4.85473 4.86471 4.86940 4.88320 4.90746 4.91962 4.92518 4.93029 4.93400 4.95364 4.95957 4.98389 5.03934 5.06002 5.23338 5.24591 5.26522 5.28249 5.29509 5.30075 5.31590 5.32290 5.34246 5.34857 5.37051 5.38979 5.41562 5.43646 5.47423 5.52220 5.53712 5.54894 5.55134 5.55612 5.56834 5.57357 5.59310 5.60002 5.60482 5.61904 5.62741 5.64996 5.66179 5.79589 49.72874 49.75820 49.77178 49.77921 49.78411 49.79287 49.79767 49.80175 49.80698 49.81481 49.82981 49.84108 49.85284 49.85908 49.87023 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 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 H -0.668814 0.442485 0.427691 -0.673742 0.338186 -0.674447 0.317916 0.318644 0.365776 -0.727506 0.335777 -0.731836 0.318345 -0.787547 0.424780 0.366273 -0.592702 0.416781 0.488069 -0.822539 0.414049 0.437131 -0.706268 0.309029 0.412686 -0.607039 0.294657 0.296838 -0.659825 0.354507 0.317663 -0.682949 0.419978 0.381476 -0.703385 0.301531 0.389883 -0.703114 0.378299 0.331605 -0.696063 0.377180 0.355306 0.361164 0.352161 0.391911 1.00000 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 0.038653 -0.016912 0.009244 0.050756 0.014200 0.029144 0.724834 0.028640 -0.030965 -0.015543 0.012345 0.118505 -0.011972 0.006790 0.042281 1.00000 3.34912919e-01 -1.23761602e+00 6.14337493e-02 1.33738232e+02 6.39823652e-02 1.33255775e+02 -5.90325700e-01 1.57765140e+00 1.24363590e+02 -1.2296 -0.0012 -0.0012 -0.0012 3.2273 3.8040 35.0870 36.5207 41.2152 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 35.0854 36.5189 41.2151 47.7019 51.8406 54.9484 60.4596 62.4606 69.3735 70.1718 72.5753 72.8960 76.4568 83.3871 90.5030 92.8043 96.4808 112.5244 131.3787 149.4400 159.2323 164.8118 174.5909 178.9171 186.3173 197.0576 202.6781 204.1153 217.1896 219.1512 230.5939 239.1045 252.2467 262.9748 280.0310 285.2676 289.8653 297.6409 312.1121 319.3188 322.9429 333.7448 350.3822 359.6013 370.1931 372.5561 389.8818 404.0068 426.4579 455.4731 458.7602 462.3342 474.0311 475.8764 501.3260 548.5332 568.8599 597.4291 603.3940 614.4744 636.2180 643.0273 669.1572 680.1873 685.3293 707.3073 713.5317 714.1215 736.6178 771.6914 778.5613 795.4358 803.4124 820.7546 865.7742 877.4884 900.5207 901.9170 931.3821 955.5954 988.1141 1008.6924 1047.3271 1080.3811 1362.4418 1492.2031 1623.1971 1632.6233 1637.5712 1639.8264 1645.4535 1655.0913 1657.1739 1660.2925 1665.9160 1687.2470 1693.2995 1721.4627 1726.0048 1741.4601 1811.8878 1841.5697 2940.2790 3086.9296 3126.3325 3247.6962 3295.1227 3336.2090 3380.5275 3409.3759 3453.1117 3484.3161 3531.8285 3550.1562 3561.5208 3576.3492 3577.5830 3596.4664 3613.9752 3633.0121 3662.9013 3675.2429 3749.9712 3792.9345 3855.4156 3858.6851 3860.9820 3864.2972 3878.8359 3889.1654 3892.2458 3893.2159 4.3125 4.2962 8.6558 5.5602 5.2577 4.9170 5.5197 4.2969 6.4493 3.1217 5.7732 5.2456 5.3544 3.1770 6.0484 3.2362 2.9024 6.3190 5.2248 5.3664 5.1972 4.3730 3.8867 1.6375 3.5244 4.9999 4.8704 4.1192 3.1907 1.3624 4.3472 5.4462 4.9631 2.2928 4.5495 2.6354 5.3402 2.5317 4.7879 1.2549 4.4004 4.4575 1.2269 1.1567 1.8880 1.4286 1.1906 1.1223 1.0967 1.7048 1.1052 1.1001 1.1088 1.4577 1.0990 1.0564 1.0713 1.0578 1.0552 1.0506 1.0626 1.0438 1.0477 1.0516 1.0575 1.0657 1.0464 1.0551 1.0686 1.0678 1.0691 1.0691 1.0518 1.0429 1.0520 1.0527 1.0655 1.0526 1.0479 1.0396 1.0727 1.0664 1.0418 1.0570 1.0960 1.1159 1.0659 1.0775 1.0827 1.0767 1.0728 1.0760 1.0785 1.0743 1.0711 1.0679 1.0677 1.0632 1.0673 1.0580 1.0810 1.0374 1.0917 1.0548 1.0651 1.0687 1.0659 1.0630 1.0603 1.0642 1.0701 1.0662 1.0620 1.0654 1.0616 1.0692 1.0560 1.0618 1.0529 1.0594 1.0779 1.0648 1.0713 1.0472 1.0671 1.0671 1.0676 1.0673 1.0826 1.0705 1.0713 1.0697 0.0031 0.0034 0.0087 0.0075 0.0083 0.0087 0.0119 0.0099 0.0183 0.0091 0.0179 0.0164 0.0184 0.0130 0.0292 0.0164 0.0159 0.0471 0.0531 0.0706 0.0776 0.0700 0.0698 0.0309 0.0721 0.1144 0.1179 0.1011 0.0887 0.0386 0.1362 0.1835 0.1861 0.0934 0.2102 0.1264 0.2644 0.1321 0.2748 0.0754 0.2704 0.2925 0.0887 0.0881 0.1524 0.1168 0.1066 0.1079 0.1175 0.2084 0.1370 0.1386 0.1468 0.1945 0.1627 0.1873 0.2043 0.2225 0.2264 0.2337 0.2534 0.2543 0.2764 0.2866 0.2926 0.3141 0.3139 0.3170 0.3416 0.3746 0.3818 0.3986 0.4000 0.4139 0.4646 0.4775 0.5091 0.5045 0.5356 0.5593 0.6171 0.6393 0.6733 0.7269 1.1986 1.4640 1.6546 1.6921 1.7106 1.7059 1.7114 1.7366 1.7451 1.7448 1.7515 1.7912 1.8038 1.8563 1.8733 1.8905 2.0909 2.0728 5.5605 5.9223 6.1338 6.6415 6.8185 6.9712 7.1394 7.2882 7.5180 7.6265 7.8048 7.9112 7.9336 8.0573 7.9636 8.0918 8.1023 8.2381 8.5211 8.4741 8.8764 8.8765 9.3454 9.3611 9.3765 9.3901 9.5967 9.5402 9.5621 9.5526 0.4961 3.2596 2.7200 0.7274 4.4039 6.7005 1.8386 7.3387 1.6196 25.8771 0.0304 5.4531 3.1271 12.5300 3.0912 31.9274 20.9575 6.5424 11.0426 2.3128 6.0727 30.2575 8.3082 94.0252 11.4665 13.9717 23.8438 29.3662 29.5060 82.1199 35.8364 37.8854 9.5644 13.8560 83.3215 53.9812 42.3950 5.5442 11.7746 15.5234 6.9670 6.5754 21.8785 89.9806 8.5058 91.6388 35.8166 15.2758 95.2355 68.2560 25.4238 93.7130 65.4720 30.7398 33.8806 105.0799 27.3316 192.6330 120.0098 16.0361 179.2557 28.5623 135.4352 35.2755 262.3677 63.8387 3.9352 56.8780 312.5075 325.1124 36.0782 99.2051 102.1931 134.4936 304.6174 21.7402 186.7367 85.9843 24.0525 4.4368 31.4074 223.7891 3.8552 145.9849 484.6995 1853.8559 10.5882 199.9264 84.0499 42.7616 83.3201 142.0609 71.2609 34.6660 19.7382 38.5554 14.1609 50.2932 36.9295 490.9514 406.9510 63.0987 1278.9174 1285.1026 547.6696 696.2857 1332.1993 1598.2455 150.4248 1490.8325 697.4263 376.8108 672.8394 574.3770 677.9964 686.0945 625.5027 724.1096 406.6434 316.8262 774.8803 255.9851 531.1613 8.1331 100.0709 89.1649 90.0079 103.3247 124.1765 121.6305 111.6374 134.5157 -0.02 -0.01 0.01 -0.01 0.04 -0.01 -0.06 -0.05 0.02 -0.03 -0.01 0.02 -0.06 -0.02 0.03 0.19 0.10 -0.17 0.24 0.13 -0.29 -0.05 -0.01 0.03 0.17 0.09 -0.13 -0.07 -0.01 0.04 -0.09 -0.02 0.04 -0.05 -0.02 -0.03 -0.07 0.00 -0.08 -0.01 -0.00 0.02 0.00 0.00 0.01 -0.04 -0.02 0.07 -0.03 -0.01 -0.00 -0.03 -0.01 -0.00 -0.03 -0.01 -0.00 -0.05 -0.02 0.03 -0.07 -0.03 0.02 -0.01 -0.02 0.08 -0.05 -0.03 0.05 -0.08 -0.02 0.05 -0.03 0.00 -0.00 -0.05 0.09 -0.17 -0.20 0.11 -0.25 0.07 0.16 -0.28 0.12 -0.04 0.16 0.07 -0.03 0.11 0.19 -0.04 0.18 -0.03 -0.01 0.01 -0.02 -0.01 0.02 -0.03 -0.01 -0.00 0.09 0.07 -0.03 0.10 0.09 0.00 0.05 0.03 -0.03 -0.06 -0.10 0.08 -0.05 -0.06 0.06 -0.06 -0.24 0.28 0.06 0.00 -0.02 0.07 0.04 -0.03 -0.03 -0.03 0.02 0.02 -0.02 0.02 -0.03 0.00 -0.01 -0.01 0.01 0.02 -0.00 -0.00 -0.06 -0.04 0.02 -0.01 -0.04 0.00 -0.02 -0.01 -0.01 -0.03 -0.04 -0.00 -0.01 0.01 0.03 -0.06 0.03 0.04 -0.10 -0.03 -0.01 -0.04 0.01 0.03 -0.04 -0.06 0.01 0.00 -0.07 -0.00 0.01 -0.04 -0.01 -0.00 -0.03 0.00 -0.00 -0.01 0.03 -0.04 0.01 0.04 -0.05 -0.04 0.03 0.02 -0.01 0.01 -0.08 -0.02 0.02 -0.08 -0.01 0.01 -0.08 -0.03 -0.00 0.01 -0.04 -0.01 0.02 0.03 -0.01 0.07 -0.05 0.04 0.01 -0.06 0.04 0.01 -0.01 0.01 -0.06 0.04 -0.16 0.25 0.27 -0.19 0.37 -0.13 -0.29 0.39 0.23 -0.04 0.18 0.15 -0.03 0.10 0.32 -0.06 0.19 -0.01 0.01 -0.07 -0.01 0.00 -0.07 -0.01 0.00 -0.06 -0.03 0.02 -0.00 -0.03 0.03 0.01 -0.04 0.00 -0.01 -0.03 0.04 -0.08 -0.03 0.03 -0.06 -0.03 0.06 -0.11 -0.01 0.05 -0.03 -0.02 0.05 -0.01 -0.01 0.03 -0.04 -0.03 0.04 -0.02 0.00 -0.02 -0.02 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.06 -0.01 0.05 -0.03 -0.01 -0.01 0.03 0.08 0.01 0.01 0.05 -0.09 -0.11 0.03 -0.11 -0.14 0.08 -0.03 0.02 0.12 -0.08 -0.09 -0.01 0.04 -0.02 -0.02 0.03 0.01 -0.03 0.04 0.08 -0.11 0.04 0.07 -0.10 -0.00 0.06 -0.12 -0.01 0.09 -0.11 0.03 0.01 -0.03 0.01 0.07 -0.08 0.01 0.06 -0.10 0.01 0.05 -0.04 0.01 0.07 -0.07 0.01 0.07 -0.10 0.01 0.09 -0.04 0.02 0.03 -0.02 0.04 -0.00 -0.02 0.01 0.07 -0.07 0.03 -0.04 0.08 0.16 -0.09 0.12 -0.07 -0.07 0.18 -0.00 0.12 0.04 -0.00 0.10 0.07 0.03 0.17 0.08 0.01 0.03 0.00 0.00 0.01 -0.01 0.01 0.02 0.03 -0.06 -0.03 -0.12 -0.12 -0.06 -0.16 -0.01 0.02 -0.11 0.02 -0.39 0.45 0.00 -0.18 0.18 -0.01 -0.07 0.02 -0.03 0.07 -0.12 -0.05 0.03 -0.13 0.02 0.02 -0.01 -0.01 0.05 -0.09 0.02 -0.01 -0.00 -0.01 0.05 -0.12 -0.01 -0.05 -0.07 0.12 -0.01 0.04 0.02 -0.02 0.05 -0.01 -0.00 0.13 0.03 -0.01 0.11 0.27 -0.05 -0.17 0.30 -0.12 -0.28 -0.01 -0.01 0.14 0.12 -0.06 -0.06 0.08 -0.01 0.09 0.04 -0.00 0.09 0.00 -0.04 0.11 0.03 -0.05 0.15 -0.02 0.02 -0.10 -0.04 0.06 -0.09 0.05 0.07 0.06 0.05 0.01 -0.04 0.00 0.02 -0.08 0.05 0.01 -0.04 0.01 -0.03 0.09 0.02 -0.03 0.10 -0.02 -0.03 0.06 0.00 0.11 0.01 -0.05 0.11 0.02 0.04 -0.01 0.02 -0.00 -0.09 -0.00 0.07 -0.13 0.02 -0.07 -0.09 0.07 -0.21 0.01 -0.03 -0.14 0.01 0.03 -0.26 0.03 -0.04 0.04 0.00 -0.02 0.01 -0.02 -0.05 0.03 -0.01 0.04 -0.13 -0.02 0.09 -0.21 -0.03 0.12 -0.10 -0.06 0.10 0.03 0.00 -0.02 0.02 0.01 -0.06 0.04 0.11 -0.18 -0.09 0.13 -0.06 -0.10 0.09 -0.00 -0.01 0.01 -0.05 -0.08 0.13 -0.05 0.02 -0.07 -0.04 -0.03 -0.00 -0.12 -0.09 0.07 -0.14 -0.01 -0.10 -0.04 0.04 0.07 -0.05 -0.02 -0.01 0.07 -0.02 -0.05 0.04 0.05 -0.10 -0.13 0.05 -0.10 -0.14 -0.04 -0.03 0.12 0.03 -0.11 -0.09 -0.01 -0.08 -0.04 0.02 -0.03 -0.06 0.05 0.05 -0.05 0.04 -0.00 -0.03 0.05 0.01 0.21 0.03 -0.03 0.22 -0.07 0.01 -0.10 0.02 -0.06 0.08 0.05 -0.03 0.16 0.02 -0.03 -0.00 0.06 0.04 -0.08 0.09 0.06 -0.08 0.04 0.07 -0.05 -0.09 0.07 -0.11 -0.14 0.19 -0.13 0.03 -0.03 0.01 -0.03 -0.02 -0.00 -0.04 0.04 0.04 -0.01 -0.13 -0.07 0.02 0.10 0.05 0.01 0.07 0.07 0.04 0.15 0.08 0.02 0.02 -0.09 -0.04 0.06 -0.13 0.01 0.00 -0.05 -0.02 -0.09 -0.05 -0.02 -0.11 -0.10 -0.02 -0.04 -0.06 0.01 0.08 0.08 0.02 0.06 0.14 -0.03 0.28 -0.19 -0.01 -0.08 0.23 0.00 -0.05 0.16 -0.08 0.06 -0.15 0.01 -0.03 0.15 -0.10 0.08 -0.13 0.04 0.00 0.18 -0.05 0.07 -0.13 -0.03 -0.01 0.13 -0.09 -0.07 -0.06 0.05 -0.00 0.09 0.03 -0.02 0.09 -0.01 0.01 0.13 -0.02 0.06 0.15 0.08 -0.01 0.10 0.08 0.03 0.02 -0.01 -0.02 0.10 0.01 -0.04 0.11 -0.06 -0.08 -0.11 -0.10 -0.05 -0.19 0.02 0.03 0.02 0.07 0.03 -0.00 -0.08 0.04 0.01 0.05 0.02 0.03 0.01 0.04 0.02 0.06 0.04 -0.02 0.01 -0.07 0.11 -0.03 -0.08 0.04 -0.02 -0.07 0.08 -0.12 0.04 -0.05 -0.20 0.06 -0.04 0.04 -0.00 0.08 0.01 -0.05 0.05 0.07 -0.01 0.12 -0.03 -0.18 0.04 -0.16 -0.06 -0.02 -0.08 -0.04 0.03 -0.22 -0.07 -0.04 0.06 0.08 -0.06 0.00 0.09 -0.10 0.06 0.05 -0.01 0.17 0.05 -0.09 0.17 0.05 -0.08 0.11 0.01 -0.10 -0.10 -0.04 -0.04 -0.07 -0.01 -0.00 -0.13 -0.26 0.29 0.16 0.04 -0.04 0.17 0.08 -0.04 -0.07 0.06 -0.13 0.09 0.02 -0.02 -0.06 0.08 -0.13 0.03 0.03 0.07 -0.06 -0.14 0.04 0.08 0.02 0.04 -0.06 -0.01 -0.11 -0.01 0.00 -0.05 0.05 0.05 -0.03 -0.05 -0.08 0.08 -0.07 -0.13 0.14 -0.02 0.02 -0.09 -0.04 -0.05 -0.00 0.12 0.07 0.01 0.10 0.04 0.03 -0.06 -0.01 -0.11 -0.06 -0.01 -0.11 0.02 -0.03 0.06 0.01 0.05 0.07 0.08 0.20 0.02 0.01 -0.04 0.06 0.02 -0.05 0.05 -0.01 -0.06 0.06 0.02 0.01 0.02 -0.01 -0.00 -0.02 0.03 0.00 0.01 0.08 0.24 0.04 0.10 0.26 0.03 0.02 -0.01 0.06 -0.03 -0.15 -0.15 -0.15 -0.18 -0.26 0.06 -0.05 -0.22 0.10 -0.02 0.04 0.05 -0.02 -0.01 0.12 -0.04 0.03 -0.05 -0.06 0.08 -0.05 -0.08 0.06 -0.06 -0.05 0.08 -0.05 0.01 -0.11 -0.11 -0.01 -0.13 -0.07 0.01 -0.11 -0.07 -0.01 -0.06 -0.04 -0.02 0.02 -0.11 0.01 -0.06 0.03 0.22 0.07 0.02 0.18 0.04 -0.04 -0.05 0.06 0.07 0.23 0.05 -0.01 -0.19 0.06 0.01 -0.05 0.03 0.04 0.10 0.03 0.02 0.02 0.05 0.06 0.01 -0.09 -0.14 -0.04 0.03 -0.10 -0.01 0.04 -0.00 -0.01 0.05 -0.01 -0.03 0.07 -0.23 -0.03 0.04 0.01 0.00 -0.00 0.02 0.00 0.04 0.02 -0.01 0.05 0.06 -0.01 -0.08 0.06 -0.04 -0.06 -0.07 -0.09 -0.01 -0.05 -0.05 -0.01 0.03 0.03 0.04 0.04 -0.17 -0.05 0.02 -0.15 -0.05 0.01 -0.15 -0.06 0.04 -0.03 0.05 0.07 -0.00 0.02 0.00 0.01 0.07 0.01 0.05 0.03 0.02 0.01 0.04 0.04 -0.14 0.00 -0.01 0.20 0.08 -0.04 0.23 0.08 0.01 0.27 0.09 -0.05 0.03 0.10 -0.07 0.02 0.08 0.01 0.05 0.12 -0.01 -0.17 -0.10 0.00 -0.13 -0.07 -0.02 -0.14 -0.12 0.01 0.04 -0.08 -0.04 0.03 -0.07 0.02 0.03 -0.07 0.03 0.00 -0.04 0.00 -0.06 -0.04 0.05 0.28 -0.45 0.02 0.07 -0.04 0.02 0.08 -0.06 0.05 0.12 0.03 0.00 0.06 -0.04 0.03 0.09 0.07 -0.06 -0.03 0.00 -0.17 0.18 0.13 -0.07 -0.18 -0.06 0.15 -0.03 0.03 0.01 -0.12 0.01 0.00 -0.15 -0.02 -0.02 -0.08 -0.03 -0.02 -0.01 -0.04 0.06 -0.14 0.04 0.03 -0.11 0.01 -0.07 -0.16 -0.05 -0.11 -0.14 -0.06 0.13 -0.01 0.06 0.16 0.04 0.06 0.08 -0.01 -0.04 0.11 0.06 -0.05 -0.09 0.07 -0.01 -0.12 0.07 -0.04 -0.07 0.04 -0.05 -0.11 0.05 0.05 -0.11 -0.06 -0.10 -0.08 -0.05 -0.05 -0.08 -0.05 -0.06 -0.10 0.14 0.02 -0.07 0.15 0.01 -0.12 0.05 -0.10 0.10 0.04 -0.02 0.07 0.05 -0.02 0.12 0.01 -0.05 0.01 -0.08 -0.01 0.01 -0.09 -0.00 -0.02 -0.08 -0.02 -0.08 0.01 0.11 -0.10 0.04 0.11 -0.06 -0.02 0.10 0.06 -0.10 0.04 -0.01 -0.12 0.03 0.08 -0.08 0.04 0.16 0.01 -0.03 0.15 0.00 -0.02 0.16 0.00 -0.02 0.13 0.16 -0.06 0.12 0.13 0.02 -0.14 0.18 0.10 0.07 0.13 -0.01 -0.09 0.13 0.07 0.08 -0.05 -0.01 0.09 -0.02 -0.02 0.02 -0.02 -0.05 -0.09 -0.03 0.08 -0.12 0.03 0.05 -0.08 0.02 0.03 -0.05 -0.06 -0.00 -0.07 -0.06 0.05 -0.17 0.02 0.07 -0.04 -0.07 0.02 0.03 0.00 -0.04 0.00 0.01 -0.05 -0.08 -0.03 0.07 -0.09 -0.00 0.03 0.08 0.03 0.02 0.09 0.04 0.01 0.07 0.02 -0.01 -0.02 0.02 -0.11 0.02 0.02 -0.07 -0.03 0.02 -0.10 -0.03 0.01 -0.04 -0.04 0.00 -0.01 0.00 0.01 -0.01 0.08 0.03 0.01 0.09 0.05 0.00 -0.02 0.04 -0.11 0.08 0.03 -0.02 0.04 0.04 -0.04 0.11 0.06 -0.05 -0.05 0.08 0.08 -0.07 0.06 0.07 0.06 0.13 0.14 -0.04 -0.00 -0.09 -0.01 -0.03 -0.07 -0.05 -0.00 -0.09 0.02 -0.11 0.07 0.05 -0.11 0.05 -0.01 -0.09 0.06 -0.05 0.00 -0.06 -0.02 0.00 0.01 -0.04 -0.45 0.58 0.06 0.01 0.04 0.04 -0.04 0.07 0.10 0.01 -0.01 0.08 0.01 0.04 0.09 -0.02 0.01 0.08 0.03 0.04 0.10 0.02 0.02 -0.18 0.08 0.04 0.05 -0.01 -0.10 0.06 0.09 -0.08 -0.03 0.12 -0.02 -0.12 -0.05 -0.18 -0.12 -0.07 -0.16 0.06 0.11 -0.13 -0.13 -0.05 -0.17 -0.20 0.11 0.09 -0.22 0.09 0.10 0.03 0.02 -0.08 0.05 0.08 -0.09 0.11 -0.01 0.03 0.08 0.03 0.05 -0.13 0.05 0.22 0.05 -0.02 -0.01 0.06 -0.02 0.01 0.05 -0.04 -0.04 -0.01 0.01 0.12 -0.01 0.01 0.11 -0.02 0.00 0.10 -0.09 -0.02 0.24 -0.10 -0.01 0.24 0.05 -0.01 0.03 0.14 0.01 -0.02 0.14 0.01 -0.02 0.14 0.01 -0.02 -0.06 -0.05 -0.07 -0.01 -0.01 -0.07 -0.12 -0.12 -0.12 0.05 0.00 -0.03 0.10 0.02 0.00 0.04 0.04 -0.08 -0.09 -0.09 -0.10 -0.08 -0.09 -0.10 -0.06 -0.07 -0.10 0.05 -0.05 -0.02 0.07 -0.04 0.01 0.02 -0.07 0.02 -0.02 0.03 0.10 -0.02 0.02 0.07 0.02 0.04 0.10 -0.03 0.00 0.14 0.10 0.02 0.01 0.11 -0.01 -0.00 -0.15 0.18 0.10 0.03 0.10 -0.00 -0.05 -0.10 -0.03 -0.07 0.07 -0.02 -0.03 0.09 -0.02 0.02 0.03 -0.06 0.02 -0.02 -0.06 -0.06 0.08 -0.04 -0.03 0.04 -0.06 0.05 0.08 -0.03 0.10 0.07 -0.03 -0.06 -0.08 -0.01 -0.05 -0.08 0.01 0.07 -0.10 -0.06 0.02 -0.12 -0.04 -0.00 0.01 -0.14 0.09 0.02 0.14 0.10 -0.03 0.05 0.02 0.02 0.16 0.13 -0.01 0.05 0.07 -0.03 0.01 0.12 -0.03 0.02 -0.01 0.01 -0.16 0.00 -0.03 -0.15 0.09 0.04 0.12 0.13 0.02 0.03 0.21 0.01 0.07 0.08 -0.05 0.06 0.02 0.04 0.03 -0.03 0.03 -0.01 0.06 0.05 0.04 -0.04 -0.02 0.10 -0.08 0.03 0.09 -0.07 0.03 0.09 -0.08 0.02 -0.01 -0.04 0.03 0.02 -0.09 -0.01 -0.01 -0.01 -0.15 -0.12 0.00 -0.13 -0.11 0.00 -0.44 0.28 -0.09 -0.08 0.02 -0.08 -0.05 0.02 -0.08 0.13 0.02 -0.08 -0.02 -0.07 -0.08 0.13 0.03 0.07 -0.06 -0.09 0.04 -0.01 0.03 -0.05 -0.13 -0.07 -0.03 -0.06 -0.05 0.04 -0.08 0.11 0.00 -0.17 0.05 0.01 0.12 0.08 0.06 0.18 -0.06 0.05 -0.13 0.21 0.03 0.13 0.05 -0.08 -0.18 -0.08 -0.05 -0.16 -0.09 -0.02 -0.06 -0.06 -0.02 -0.14 0.00 0.07 0.02 0.00 0.01 0.05 0.03 -0.04 -0.06 0.05 0.03 -0.00 -0.09 0.07 -0.00 -0.06 0.06 -0.01 -0.03 0.06 -0.04 -0.17 0.07 -0.03 -0.20 0.05 -0.00 -0.12 -0.03 0.03 0.13 0.05 0.07 0.10 0.04 -0.01 -0.15 0.08 -0.02 -0.01 0.11 -0.06 -0.03 0.06 -0.01 0.01 -0.04 0.06 -0.02 -0.02 0.02 0.06 -0.07 0.14 0.01 0.08 -0.06 0.04 0.08 -0.07 0.03 0.08 -0.06 0.05 -0.08 0.23 -0.04 -0.10 0.23 -0.02 -0.08 0.18 -0.04 -0.03 -0.02 -0.06 0.00 -0.00 -0.00 -0.07 -0.18 0.18 -0.14 0.02 0.13 -0.10 0.12 0.07 -0.00 0.03 0.08 -0.17 0.01 0.13 0.06 -0.03 0.03 0.06 0.03 -0.05 0.01 0.04 -0.03 0.07 -0.04 0.09 -0.00 0.10 -0.01 0.06 -0.08 -0.02 0.06 -0.05 0.01 0.09 -0.06 0.07 0.10 -0.09 0.05 0.03 -0.07 -0.04 0.05 -0.04 0.05 0.06 -0.03 0.11 0.04 0.00 0.09 -0.02 0.17 -0.02 -0.00 0.26 -0.06 -0.01 -0.10 -0.01 -0.03 -0.07 0.00 0.02 -0.01 0.04 -0.09 -0.05 -0.01 -0.06 -0.05 -0.01 -0.08 -0.04 -0.04 -0.10 0.11 0.04 -0.10 0.11 0.03 -0.11 0.10 0.01 -0.01 0.00 -0.01 -0.06 -0.01 0.00 -0.08 -0.00 0.01 0.03 0.02 0.01 0.03 0.06 0.04 0.02 0.01 0.02 0.06 0.00 -0.06 0.06 -0.00 -0.05 -0.08 -0.04 -0.12 -0.01 0.00 -0.06 -0.01 0.03 -0.05 0.03 -0.05 -0.06 -0.04 0.04 -0.02 -0.04 0.02 -0.07 -0.02 0.09 -0.02 0.05 -0.02 -0.05 0.04 -0.06 -0.01 0.12 -0.47 0.55 -0.06 -0.02 0.03 -0.05 0.01 0.02 0.02 0.04 -0.04 -0.07 -0.00 0.00 0.02 0.03 -0.03 -0.01 -0.10 -0.02 0.04 0.03 -0.04 -0.00 0.02 -0.10 0.04 -0.04 -0.01 0.17 0.21 0.14 0.13 0.17 0.11 -0.09 0.05 -0.04 -0.09 0.07 -0.01 0.15 0.19 0.18 -0.07 0.04 -0.02 0.02 0.08 -0.08 -0.06 0.07 -0.08 0.02 -0.00 0.01 0.05 0.02 0.04 -0.05 -0.18 0.01 -0.03 -0.13 0.01 0.04 0.06 -0.08 -0.17 -0.12 0.03 -0.16 -0.11 0.07 0.00 -0.12 0.01 -0.18 -0.05 -0.09 -0.11 -0.02 -0.05 -0.19 -0.00 -0.03 0.06 0.04 -0.07 0.07 0.02 -0.06 -0.15 -0.15 -0.04 0.00 -0.03 -0.02 -0.04 0.06 0.02 0.02 -0.04 -0.05 -0.08 -0.02 0.15 0.03 0.04 0.19 0.04 0.01 0.20 0.20 0.03 0.04 0.16 0.10 0.02 0.20 0.03 0.03 -0.00 0.01 0.01 0.02 0.02 0.02 0.00 0.01 0.01 0.06 -0.06 -0.07 0.03 -0.12 -0.04 0.09 -0.02 -0.14 0.00 0.01 -0.00 -0.00 0.00 0.01 0.02 0.01 -0.03 0.02 0.05 -0.05 0.04 0.03 -0.07 -0.05 -0.20 0.03 -0.08 -0.02 0.02 -0.06 -0.02 -0.01 -0.02 0.05 0.07 0.06 0.03 0.01 0.05 0.03 0.02 -0.04 -0.01 -0.07 -0.04 0.01 -0.07 0.03 0.03 0.01 -0.02 -0.03 -0.04 -0.06 0.01 -0.01 -0.04 0.04 -0.02 0.01 0.02 0.04 -0.04 0.01 -0.02 -0.08 0.00 -0.01 -0.06 0.02 -0.02 -0.07 0.03 -0.00 0.08 -0.09 -0.04 0.05 -0.08 -0.06 0.10 -0.11 0.01 0.08 0.06 -0.04 0.11 0.07 -0.01 0.06 0.07 -0.04 -0.06 0.01 0.01 -0.04 0.01 0.01 0.08 -0.08 -0.04 -0.12 0.00 0.05 -0.10 -0.00 0.06 -0.13 -0.00 0.06 0.04 0.09 -0.05 0.04 0.07 -0.02 -0.05 0.09 -0.07 0.11 -0.14 0.08 0.06 -0.12 0.06 0.08 -0.10 0.08 0.03 -0.06 0.01 0.03 -0.05 0.02 0.04 -0.05 0.02 -0.02 0.07 0.01 -0.04 0.02 0.04 0.04 -0.41 0.64 0.05 0.06 -0.08 0.04 0.03 -0.05 -0.10 -0.03 0.04 0.03 0.03 -0.04 -0.09 -0.00 0.02 -0.08 0.04 0.00 0.02 -0.05 -0.02 0.02 0.02 -0.03 0.15 -0.03 -0.02 -0.05 0.01 -0.00 -0.03 0.01 -0.01 -0.03 -0.01 -0.02 -0.03 -0.04 -0.02 -0.01 0.01 -0.01 -0.05 0.01 -0.05 0.02 0.01 -0.04 0.02 -0.02 -0.02 0.17 -0.06 -0.06 0.15 -0.02 -0.11 -0.03 0.03 0.00 -0.07 0.04 0.02 0.04 0.01 -0.03 0.00 0.05 0.04 -0.03 0.06 0.02 -0.00 0.07 0.03 0.01 -0.10 0.03 0.03 -0.09 0.00 -0.00 -0.09 0.04 0.04 0.02 -0.02 0.06 0.03 -0.02 -0.01 0.00 0.04 -0.08 0.03 0.04 -0.07 0.03 0.05 -0.09 0.06 0.07 -0.03 -0.09 0.07 -0.04 -0.07 0.04 0.01 -0.11 0.07 -0.04 0.05 -0.00 -0.03 0.02 -0.01 -0.04 0.06 0.01 -0.05 0.04 -0.09 -0.06 0.05 -0.05 0.05 0.01 -0.07 0.10 0.09 0.03 0.12 0.09 0.06 0.11 -0.39 0.70 -0.07 -0.00 0.02 -0.06 0.02 -0.06 0.03 -0.04 -0.02 -0.03 0.01 0.01 0.01 -0.04 0.00 -0.04 -0.00 -0.04 0.12 -0.15 -0.15 -0.08 -0.07 -0.04 0.01 -0.05 0.00 -0.03 -0.05 0.02 -0.05 -0.11 -0.02 -0.03 0.01 -0.03 -0.02 0.05 -0.07 0.02 -0.08 0.07 -0.01 -0.01 -0.00 -0.09 -0.09 -0.04 -0.04 -0.06 -0.05 -0.02 -0.04 0.04 0.01 -0.06 0.09 -0.05 -0.18 -0.03 -0.05 -0.12 -0.03 -0.05 0.02 0.06 -0.02 0.07 0.26 -0.02 0.03 0.17 -0.04 0.17 0.19 0.11 0.04 -0.05 0.08 0.03 -0.07 0.09 0.03 -0.08 -0.04 0.07 0.09 -0.03 0.11 0.08 -0.01 0.06 0.17 -0.08 0.12 0.08 -0.13 0.22 0.13 -0.06 0.18 0.09 0.07 0.11 -0.06 0.03 0.05 -0.04 -0.03 0.14 -0.07 -0.05 0.15 -0.02 -0.02 0.09 -0.02 -0.02 0.10 -0.00 0.01 -0.03 0.04 -0.01 -0.03 0.04 -0.02 -0.03 0.04 0.04 -0.14 -0.11 0.03 -0.16 -0.12 0.07 -0.15 -0.11 0.06 0.10 -0.05 0.05 0.08 0.02 0.06 -0.08 -0.06 0.01 0.07 0.00 0.10 -0.14 -0.12 -0.04 -0.19 -0.04 0.06 0.20 0.10 -0.00 -0.03 -0.03 -0.03 0.04 0.06 0.00 0.01 -0.01 -0.05 -0.03 -0.02 0.01 -0.01 0.01 0.02 -0.01 -0.02 0.02 -0.01 0.04 -0.00 -0.01 0.01 -0.02 -0.06 -0.02 -0.00 -0.05 -0.03 0.01 -0.02 0.02 -0.03 -0.08 0.01 -0.11 -0.03 -0.00 -0.09 -0.02 -0.01 0.03 -0.07 0.07 0.02 -0.12 0.17 -0.03 -0.11 0.18 0.01 -0.14 -0.02 0.06 -0.01 -0.06 0.09 0.01 -0.07 0.01 0.03 -0.05 0.05 -0.08 0.10 0.12 -0.16 0.11 0.04 -0.09 0.16 0.05 -0.19 -0.10 0.06 -0.25 -0.14 0.06 -0.22 -0.12 -0.00 0.05 0.02 -0.01 0.02 0.05 -0.05 0.07 0.02 -0.05 0.10 -0.17 -0.01 0.20 -0.13 -0.05 0.11 -0.21 -0.05 0.01 -0.00 -0.09 0.01 0.01 -0.00 0.00 0.00 -0.04 0.10 0.07 -0.07 0.07 0.06 0.01 -0.05 0.26 0.02 0.07 -0.14 0.01 0.05 -0.12 0.07 0.18 0.09 -0.00 0.02 -0.07 0.05 0.21 0.14 -0.11 0.01 0.01 0.08 -0.07 -0.06 -0.05 -0.04 -0.06 -0.13 0.15 0.07 -0.06 -0.14 0.05 -0.03 -0.17 0.02 -0.11 0.04 -0.10 -0.10 0.06 -0.12 -0.06 -0.15 0.07 -0.10 0.03 -0.09 -0.05 -0.05 -0.08 -0.02 -0.06 -0.08 -0.10 0.12 0.03 -0.13 0.12 -0.02 -0.03 -0.09 -0.01 -0.02 -0.05 -0.01 0.03 -0.00 -0.17 0.00 0.01 0.07 -0.01 0.00 0.00 0.00 0.09 0.14 0.01 -0.00 0.13 -0.02 -0.02 0.12 0.00 -0.02 0.09 0.02 0.04 -0.15 0.03 0.06 -0.16 -0.02 -0.02 0.08 0.23 0.03 -0.03 0.21 0.07 0.00 0.23 0.04 -0.03 -0.01 -0.07 0.02 -0.03 -0.08 0.01 -0.18 -0.12 -0.06 0.07 -0.06 0.09 0.05 -0.09 0.08 0.10 -0.10 0.11 -0.02 0.05 -0.03 -0.00 0.06 -0.03 -0.03 0.06 -0.04 -0.05 0.16 0.14 -0.08 0.14 0.12 -0.00 0.14 0.13 0.02 0.03 -0.07 0.02 0.02 -0.06 0.10 -0.05 -0.06 0.03 0.05 -0.09 0.14 -0.10 -0.10 -0.03 -0.07 -0.00 0.12 0.17 0.05 -0.01 0.00 -0.03 0.01 0.03 -0.03 -0.11 -0.12 0.03 -0.05 -0.13 -0.00 -0.07 0.04 -0.06 -0.09 0.08 -0.01 -0.17 -0.13 0.05 -0.02 0.02 -0.04 -0.01 -0.00 -0.04 -0.01 -0.02 -0.03 0.00 0.06 -0.04 0.00 0.13 -0.09 -0.09 -0.03 -0.07 -0.14 -0.04 -0.07 0.06 0.04 -0.01 0.01 0.09 -0.04 -0.02 0.09 -0.12 0.01 0.18 0.06 0.02 0.01 0.10 -0.02 -0.02 0.10 0.04 -0.03 0.06 0.06 0.12 0.04 0.11 0.14 0.02 -0.02 0.04 -0.01 -0.16 -0.13 -0.05 -0.09 -0.18 -0.04 -0.22 -0.18 -0.01 0.01 -0.01 -0.03 -0.00 -0.01 -0.05 0.05 -0.01 -0.01 0.12 0.00 0.02 0.11 0.01 0.03 0.17 -0.06 0.03 0.19 -0.07 0.04 0.30 -0.06 0.02 0.11 -0.05 0.03 0.02 -0.06 -0.04 0.00 -0.05 -0.09 0.04 -0.03 -0.10 -0.11 -0.05 0.11 -0.13 -0.10 0.12 0.11 0.14 0.05 -0.05 -0.03 0.07 0.06 0.21 0.08 -0.10 -0.04 -0.10 -0.06 -0.05 0.06 -0.03 -0.05 -0.10 -0.02 0.13 -0.06 0.14 -0.01 0.01 0.03 -0.08 -0.01 -0.02 0.07 -0.02 -0.04 0.12 0.03 0.28 -0.03 0.04 0.01 0.03 0.07 -0.04 -0.09 -0.11 -0.02 -0.09 -0.11 -0.06 0.21 -0.05 -0.03 0.28 -0.05 0.05 0.07 -0.01 0.03 0.05 0.00 0.04 -0.02 -0.10 0.16 -0.06 0.03 0.12 -0.05 0.04 0.08 -0.16 -0.10 0.01 -0.01 0.03 -0.00 -0.02 0.01 -0.01 0.03 0.05 0.07 0.00 -0.03 0.14 0.04 -0.05 0.17 -0.01 0.12 -0.06 0.03 0.03 -0.08 -0.04 -0.04 -0.05 0.14 0.07 -0.08 -0.10 0.12 -0.07 -0.12 0.18 -0.36 -0.15 0.02 -0.11 0.02 -0.08 -0.09 0.02 -0.08 -0.17 0.08 -0.07 0.01 -0.06 0.07 0.06 -0.08 0.00 -0.01 0.02 0.07 0.02 -0.07 -0.06 0.01 -0.08 -0.08 0.04 -0.08 -0.06 -0.02 0.04 0.01 -0.04 -0.02 0.07 -0.02 -0.01 0.03 -0.00 0.05 0.01 -0.06 -0.06 0.12 0.05 0.11 -0.02 -0.02 -0.07 -0.02 -0.02 -0.01 -0.01 -0.01 0.06 -0.02 0.02 0.12 -0.05 0.00 0.11 -0.05 0.10 0.00 0.09 0.10 0.05 0.07 0.02 0.11 -0.03 0.13 -0.01 0.12 -0.02 -0.02 -0.01 -0.01 -0.02 -0.01 0.02 0.04 -0.09 -0.03 0.05 -0.18 -0.11 -0.04 -0.08 -0.15 -0.04 -0.07 -0.06 0.04 0.04 0.02 -0.01 0.03 -0.01 -0.01 -0.01 0.01 -0.03 0.02 0.01 -0.04 -0.06 -0.00 -0.05 -0.05 0.01 -0.05 -0.06 -0.07 0.08 0.05 -0.06 0.10 0.04 0.03 -0.02 0.03 0.15 0.03 -0.01 0.20 0.00 -0.00 0.10 0.11 0.08 -0.04 -0.02 -0.01 -0.00 0.06 -0.06 0.54 0.11 0.21 -0.03 -0.01 0.02 -0.02 -0.02 0.02 -0.06 0.05 -0.01 0.14 -0.13 0.06 0.19 -0.14 0.01 0.12 -0.08 0.06 -0.05 0.07 0.05 -0.08 0.06 0.01 -0.02 0.03 0.09 -0.14 -0.02 0.02 -0.16 -0.07 0.06 -0.03 0.00 0.02 -0.10 -0.01 0.02 0.05 -0.12 -0.04 -0.11 0.02 -0.11 0.00 0.02 -0.00 -0.01 0.01 -0.03 -0.03 0.05 -0.01 -0.03 0.01 -0.02 -0.01 -0.01 -0.05 0.03 0.00 0.02 0.01 -0.03 0.09 -0.08 -0.01 0.02 0.02 -0.00 0.04 -0.02 -0.03 -0.03 0.01 -0.03 -0.04 -0.04 0.07 0.00 -0.02 0.10 0.01 0.04 -0.02 0.02 0.05 -0.01 0.02 -0.01 -0.03 -0.01 0.02 0.02 0.00 0.03 0.02 0.00 0.02 0.04 0.02 0.02 -0.02 0.02 -0.03 -0.05 0.03 0.04 -0.07 -0.02 -0.00 -0.03 0.01 0.01 -0.03 0.00 0.01 0.02 -0.01 -0.06 -0.01 0.01 -0.07 0.02 0.02 -0.04 -0.05 -0.02 -0.07 -0.04 -0.03 -0.01 0.05 -0.09 0.84 0.17 0.32 0.04 0.00 0.02 0.04 0.01 0.02 0.05 -0.00 0.00 -0.07 0.01 -0.01 -0.12 -0.01 -0.03 -0.06 0.03 -0.01 0.03 0.00 -0.00 0.03 -0.00 0.01 0.03 -0.01 0.02 0.06 0.02 -0.02 0.07 0.04 -0.02 -0.01 -0.01 0.00 0.03 0.00 -0.00 -0.02 0.04 -0.02 0.04 -0.05 0.02 -0.02 -0.03 0.03 -0.00 -0.08 0.06 -0.04 -0.03 0.11 0.13 -0.05 -0.01 0.10 -0.05 0.01 -0.12 -0.13 -0.11 -0.11 -0.14 -0.14 0.13 -0.05 -0.00 -0.11 -0.10 -0.23 0.03 0.01 0.06 0.02 0.04 0.05 -0.04 -0.04 0.12 -0.04 -0.07 0.14 -0.01 -0.01 -0.03 -0.04 -0.01 -0.02 0.02 0.02 0.00 0.03 -0.01 -0.01 0.03 -0.02 -0.01 -0.03 -0.04 -0.05 0.01 0.03 -0.00 0.00 0.03 0.02 0.01 0.02 -0.02 0.01 0.02 -0.01 0.01 -0.00 -0.00 0.03 0.03 0.02 0.00 0.01 0.01 -0.00 -0.04 -0.03 0.00 0.10 0.05 -0.07 0.01 0.00 -0.01 0.04 0.03 0.56 0.22 0.28 -0.10 0.01 -0.05 -0.07 -0.00 -0.04 -0.10 -0.00 -0.06 0.15 0.16 -0.05 0.22 0.20 -0.01 0.07 0.11 -0.07 0.02 0.01 0.01 -0.00 -0.01 -0.02 0.06 0.02 -0.03 -0.06 -0.01 0.03 -0.05 0.03 0.01 0.01 0.01 0.02 -0.05 0.02 -0.00 -0.00 -0.05 0.07 -0.02 0.01 -0.06 0.12 -0.01 0.05 -0.04 0.03 0.04 0.10 -0.08 -0.06 0.18 -0.14 -0.15 0.11 -0.15 -0.12 0.02 0.11 0.02 0.02 0.14 0.01 0.19 -0.14 -0.13 0.02 0.09 0.08 -0.06 -0.02 0.02 -0.03 -0.04 0.03 0.11 -0.11 -0.06 0.09 -0.10 -0.08 -0.03 0.05 0.03 -0.00 0.02 0.01 -0.00 0.03 -0.11 -0.09 -0.00 -0.01 -0.06 -0.01 0.01 -0.09 0.02 0.01 0.01 0.08 0.12 0.04 0.11 0.06 -0.03 0.10 0.11 -0.03 0.06 -0.13 -0.10 0.16 -0.14 -0.10 0.02 -0.02 0.01 -0.03 -0.01 -0.03 -0.05 -0.05 0.05 0.00 -0.04 -0.11 0.17 0.10 -0.13 0.15 0.10 0.24 0.29 0.25 -0.05 -0.03 0.03 0.01 -0.06 0.08 -0.01 -0.06 -0.04 -0.08 -0.09 0.01 -0.13 -0.08 0.05 -0.01 -0.12 0.03 -0.04 -0.03 -0.03 -0.01 -0.01 -0.01 -0.08 -0.05 0.03 0.03 -0.02 -0.02 0.03 -0.04 -0.03 0.17 -0.05 0.00 0.04 -0.02 -0.02 0.08 0.02 0.07 -0.03 0.05 0.06 0.22 0.01 0.11 -0.12 -0.14 0.00 -0.02 0.00 0.03 -0.01 0.24 0.05 -0.07 0.21 0.04 0.05 -0.10 0.06 0.13 -0.04 -0.18 0.01 0.22 0.10 0.06 -0.09 0.01 -0.13 -0.13 0.01 -0.09 -0.07 -0.03 -0.02 0.01 0.04 -0.01 0.00 0.07 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.04 -0.01 -0.18 0.01 0.00 -0.02 0.01 -0.00 -0.03 -0.02 -0.00 -0.01 0.01 -0.01 0.04 -0.00 -0.02 0.05 0.02 -0.02 0.04 -0.09 0.10 -0.17 -0.13 0.24 -0.20 0.01 0.01 -0.00 -0.06 -0.04 0.00 -0.15 -0.11 -0.10 0.00 0.09 -0.01 0.07 -0.04 -0.07 0.13 0.02 -0.09 -0.08 -0.15 -0.17 -0.10 -0.06 0.01 -0.01 -0.11 0.07 -0.16 0.06 -0.07 -0.01 0.07 -0.03 -0.06 0.06 -0.03 -0.02 0.06 -0.03 0.02 -0.01 -0.01 0.01 -0.02 -0.01 0.04 0.00 -0.04 0.03 -0.04 0.00 0.06 0.03 -0.02 0.29 -0.02 0.05 -0.02 -0.05 -0.01 0.13 0.05 0.20 0.00 0.01 0.01 -0.03 -0.03 0.03 -0.01 -0.01 0.05 0.09 -0.05 -0.08 0.01 -0.01 0.24 0.00 -0.05 0.20 -0.07 0.12 -0.05 -0.06 0.17 -0.07 -0.08 -0.04 0.33 -0.05 0.09 0.01 -0.02 0.02 0.06 -0.01 0.07 0.03 0.08 -0.04 -0.08 0.08 0.03 -0.12 -0.01 0.07 0.04 -0.00 0.07 0.04 0.06 -0.01 -0.07 -0.05 -0.07 0.00 -0.04 -0.06 0.06 -0.05 -0.08 -0.07 -0.01 0.02 0.06 -0.03 0.01 0.07 0.00 -0.05 -0.03 0.07 -0.05 -0.08 0.05 -0.07 -0.07 -0.05 -0.02 0.01 0.04 0.01 0.01 -0.00 -0.04 -0.06 0.08 0.08 -0.01 0.10 -0.04 -0.19 0.23 0.03 -0.15 0.54 0.10 -0.00 -0.07 0.00 -0.07 -0.07 0.02 -0.07 -0.06 -0.03 -0.03 -0.01 -0.06 0.05 0.00 -0.04 0.09 0.03 -0.09 0.06 -0.02 -0.03 -0.04 0.01 -0.02 -0.01 -0.06 -0.05 0.01 -0.04 0.08 -0.00 -0.07 0.01 0.02 0.02 -0.02 -0.01 0.01 0.11 -0.03 -0.02 -0.05 0.07 -0.01 0.08 0.05 -0.02 0.00 -0.03 -0.06 -0.11 -0.02 0.04 -0.02 -0.03 -0.05 0.04 -0.10 -0.04 0.06 -0.09 -0.01 -0.11 0.06 0.25 0.01 -0.66 -0.09 0.05 -0.11 -0.04 -0.07 -0.03 -0.05 -0.07 -0.02 -0.06 -0.06 -0.03 0.03 0.00 -0.02 0.04 0.02 -0.03 0.02 0.06 0.04 0.01 0.10 0.06 0.04 -0.09 -0.09 -0.04 -0.02 0.03 -0.04 -0.02 0.06 0.01 -0.01 0.03 -0.01 0.01 0.07 0.00 0.02 0.04 -0.02 0.02 0.07 0.06 -0.14 -0.07 0.11 -0.23 -0.05 -0.05 -0.02 0.01 0.01 0.01 -0.01 0.09 0.04 0.06 -0.04 -0.12 -0.01 -0.01 0.04 0.03 -0.05 0.07 -0.04 -0.01 -0.02 -0.01 0.08 -0.00 0.04 0.06 0.03 0.03 0.08 0.00 0.02 0.08 0.04 0.05 0.09 0.05 0.08 0.04 -0.00 0.05 -0.01 -0.04 -0.04 0.02 -0.03 -0.01 -0.05 -0.03 -0.04 -0.08 0.18 0.03 -0.11 0.11 0.07 -0.05 -0.06 -0.03 -0.04 0.21 0.00 -0.03 0.03 -0.09 0.01 0.04 0.03 0.01 -0.01 0.00 0.01 0.04 -0.03 0.04 -0.01 -0.00 -0.02 0.02 -0.02 -0.03 0.00 -0.03 0.04 -0.03 -0.06 -0.30 -0.17 0.89 -0.02 0.01 0.00 0.10 -0.07 0.01 -0.03 -0.03 -0.02 0.00 -0.03 -0.02 0.02 -0.00 0.01 0.04 0.01 0.02 -0.02 0.04 0.02 -0.02 0.04 0.01 -0.00 -0.05 -0.03 -0.02 -0.02 0.01 -0.02 -0.01 0.03 0.00 -0.02 0.01 -0.01 0.01 0.02 0.01 0.01 0.02 -0.01 0.01 0.03 -0.01 -0.03 -0.02 -0.00 -0.03 -0.02 -0.02 -0.02 0.01 0.02 -0.00 -0.00 0.03 -0.01 -0.01 0.02 -0.00 -0.00 0.01 0.01 0.00 0.00 0.02 -0.02 -0.03 -0.02 -0.03 0.02 0.00 0.01 0.02 0.01 0.01 0.02 0.01 0.00 0.03 0.04 0.01 -0.04 0.01 -0.02 0.03 0.05 0.01 -0.01 -0.03 -0.03 -0.00 -0.02 -0.02 -0.03 -0.03 -0.01 -0.03 0.04 0.01 -0.02 0.07 -0.00 0.01 -0.02 -0.00 -0.03 0.04 0.01 0.00 -0.01 -0.00 -0.02 0.05 0.02 0.03 -0.05 0.02 0.01 -0.02 0.03 0.12 0.04 -0.01 -0.10 -0.06 -0.02 -0.04 -0.01 0.01 -0.04 -0.06 -0.01 0.08 -0.04 -0.35 -0.15 -0.03 -0.07 -0.10 -0.04 -0.03 0.04 0.04 0.02 0.03 0.06 0.01 0.07 0.10 0.02 0.11 0.12 0.06 -0.14 0.22 0.04 -0.07 0.08 -0.01 -0.07 0.07 0.03 0.00 -0.08 0.09 -0.04 -0.04 0.16 0.07 -0.10 0.01 -0.01 0.00 -0.08 0.03 0.02 -0.06 -0.04 0.03 -0.09 -0.08 0.09 0.01 -0.14 0.19 -0.01 0.01 -0.08 0.05 0.09 -0.01 0.00 0.04 -0.13 -0.13 0.14 0.10 -0.02 -0.02 -0.07 0.01 -0.06 -0.07 -0.02 0.15 -0.03 0.08 0.10 0.02 0.02 0.07 0.05 -0.01 0.11 -0.01 0.05 -0.03 0.07 0.05 -0.02 0.08 0.07 0.01 0.07 0.06 -0.01 -0.12 -0.11 -0.01 -0.09 -0.17 -0.00 -0.17 -0.04 0.07 -0.11 -0.05 0.09 -0.06 -0.06 0.04 -0.02 0.02 0.03 -0.15 -0.00 0.02 -0.05 0.08 -0.11 0.33 0.12 -0.17 -0.01 -0.07 -0.03 -0.03 -0.17 0.01 -0.03 0.06 0.03 0.09 0.01 -0.00 -0.04 -0.09 0.03 -0.01 0.06 0.08 -0.00 -0.08 -0.00 0.01 0.19 0.04 0.01 0.01 -0.05 -0.11 -0.19 -0.03 -0.14 -0.18 0.00 -0.04 0.10 0.02 -0.00 0.10 -0.08 0.07 -0.00 -0.05 0.00 -0.02 0.07 0.01 -0.01 -0.08 -0.03 -0.02 -0.09 -0.02 0.01 -0.05 0.01 -0.02 0.01 0.05 0.25 0.01 0.06 0.23 -0.01 0.03 0.20 0.13 0.10 0.15 0.37 0.09 0.12 -0.11 -0.02 0.01 0.05 0.02 -0.01 0.10 0.01 0.02 0.01 -0.02 0.01 0.04 0.06 -0.04 0.10 0.15 -0.09 0.06 -0.03 -0.09 0.01 -0.01 -0.04 -0.03 0.02 -0.06 0.00 -0.00 -0.03 -0.01 0.01 -0.12 -0.02 0.02 -0.09 0.01 -0.02 -0.12 0.02 -0.03 -0.02 0.00 -0.05 -0.06 0.05 -0.03 -0.05 0.04 -0.15 -0.03 0.06 -0.09 -0.11 -0.22 0.10 0.02 0.06 -0.17 0.01 -0.08 -0.08 -0.07 -0.07 0.10 0.03 -0.02 0.04 -0.06 0.02 -0.05 -0.04 0.12 0.05 -0.11 0.05 0.05 0.01 0.05 0.02 -0.02 -0.05 -0.12 -0.07 -0.06 -0.17 -0.06 0.09 0.03 0.04 -0.13 -0.13 -0.01 0.03 -0.01 -0.04 0.02 -0.02 -0.04 0.14 0.04 -0.17 0.10 0.06 -0.24 -0.04 -0.10 -0.00 0.01 -0.10 -0.04 0.02 -0.02 0.05 0.00 0.08 -0.07 0.00 0.06 -0.14 -0.05 0.11 0.02 0.03 -0.02 0.06 0.03 -0.01 0.00 0.02 -0.01 0.06 0.03 0.00 0.07 0.06 0.01 0.06 -0.01 0.05 -0.03 0.00 -0.00 -0.01 0.02 0.13 0.10 0.00 -0.20 -0.09 0.00 0.00 -0.00 0.04 0.03 0.00 -0.01 -0.02 -0.02 -0.09 -0.04 0.01 -0.06 -0.09 0.04 -0.10 -0.01 -0.01 -0.06 0.16 0.26 -0.13 0.17 0.35 0.05 0.08 0.29 -0.15 0.00 -0.00 -0.13 0.01 0.03 -0.18 -0.00 0.03 0.11 -0.07 0.00 0.14 0.02 0.02 -0.05 0.02 -0.04 0.04 -0.08 0.02 -0.01 0.05 -0.12 -0.03 -0.11 0.05 -0.06 -0.05 0.07 -0.02 -0.02 0.01 -0.02 -0.02 -0.03 -0.04 -0.01 -0.03 -0.02 -0.01 -0.04 -0.00 -0.03 -0.01 -0.01 -0.02 -0.00 -0.09 -0.01 -0.02 -0.00 -0.03 -0.00 -0.02 -0.02 0.01 -0.03 -0.03 0.01 -0.00 -0.03 -0.06 -0.03 -0.02 -0.10 0.11 -0.03 -0.03 0.11 -0.04 -0.02 0.00 0.03 -0.03 -0.00 -0.02 0.00 -0.00 -0.02 0.03 0.05 -0.04 -0.06 -0.04 -0.01 0.04 -0.04 -0.01 0.02 -0.03 -0.01 0.05 -0.00 0.06 -0.02 0.06 -0.04 -0.00 0.00 -0.02 0.01 -0.02 -0.02 0.07 -0.43 -0.14 -0.28 0.28 0.51 -0.03 0.01 0.05 -0.01 0.00 0.07 -0.04 -0.01 0.01 -0.04 0.11 0.09 -0.06 0.05 0.14 -0.11 0.13 0.03 -0.01 0.01 0.03 0.06 0.00 0.04 0.10 0.03 -0.01 0.07 -0.02 0.04 0.03 -0.01 0.05 0.04 -0.03 0.05 0.02 -0.03 -0.05 -0.05 -0.02 -0.01 -0.01 -0.01 0.12 0.09 -0.07 -0.02 -0.09 0.01 -0.15 0.24 0.10 -0.10 -0.01 -0.03 -0.00 -0.01 -0.08 -0.08 0.03 0.12 -0.02 0.05 -0.05 0.00 -0.01 -0.09 0.05 0.05 0.02 0.01 0.02 0.01 0.05 0.04 -0.12 0.03 -0.05 0.05 -0.01 0.04 -0.10 -0.06 0.07 -0.09 0.04 0.01 0.13 -0.07 0.05 0.11 -0.15 0.08 0.06 -0.07 -0.04 0.02 -0.06 -0.01 0.10 0.02 -0.08 0.08 -0.00 0.02 0.10 -0.02 -0.00 0.05 -0.05 -0.00 -0.05 0.28 -0.08 0.05 0.34 -0.07 -0.10 0.37 -0.05 0.12 0.05 -0.02 0.18 0.05 -0.03 0.10 0.06 0.03 -0.03 0.02 -0.02 0.16 0.04 0.11 -0.18 -0.08 0.11 -0.06 -0.18 0.04 -0.02 -0.08 -0.03 0.13 -0.27 0.04 0.04 0.03 0.01 0.02 0.04 -0.01 0.03 0.03 0.03 -0.01 -0.01 -0.03 -0.08 -0.03 -0.03 0.04 -0.01 -0.02 -0.15 0.01 0.00 -0.12 0.03 0.03 -0.19 0.01 0.02 0.00 -0.03 -0.01 0.01 -0.02 -0.04 -0.02 -0.01 -0.02 0.03 -0.01 -0.04 -0.00 -0.01 -0.06 0.06 -0.03 -0.09 -0.00 -0.01 -0.00 -0.03 -0.07 0.09 -0.07 -0.02 -0.04 -0.02 0.00 -0.03 -0.03 0.04 0.00 -0.02 0.01 -0.03 -0.06 0.01 0.08 -0.06 0.02 -0.05 -0.01 -0.00 -0.01 -0.05 -0.06 0.12 -0.08 -0.04 0.11 -0.06 -0.01 -0.06 -0.07 0.03 -0.10 0.08 0.06 -0.02 0.04 0.01 0.00 0.11 0.05 -0.02 -0.01 -0.07 0.07 0.01 -0.07 0.11 0.01 -0.10 0.01 -0.06 -0.09 -0.02 -0.07 -0.10 -0.04 -0.04 -0.09 0.00 0.10 0.08 -0.00 0.06 0.19 -0.03 0.01 -0.05 0.04 -0.04 0.04 -0.06 0.43 0.10 0.28 -0.40 -0.32 0.19 0.02 0.07 -0.02 -0.01 0.05 -0.03 0.02 0.09 -0.01 0.01 -0.01 0.02 0.01 0.02 0.03 0.00 0.00 -0.01 -0.01 0.02 0.05 0.09 0.05 0.08 -0.00 0.01 0.06 0.06 0.03 0.02 0.06 0.07 -0.01 0.06 0.02 0.04 0.00 -0.07 -0.06 -0.01 -0.11 -0.05 -0.01 -0.10 -0.04 0.05 -0.07 -0.04 -0.03 0.05 -0.14 0.07 0.08 -0.11 0.11 0.03 -0.04 0.08 0.09 -0.15 0.01 -0.00 -0.01 0.01 -0.02 0.06 0.04 -0.08 -0.00 0.01 -0.04 0.01 0.03 -0.08 -0.03 0.00 -0.05 0.12 -0.01 -0.01 -0.03 0.11 0.07 -0.19 0.13 0.06 -0.18 0.01 -0.02 -0.01 -0.00 0.01 -0.06 0.25 0.08 -0.00 0.22 0.05 0.04 -0.16 0.04 0.10 -0.11 -0.10 0.10 -0.01 -0.14 0.19 -0.10 -0.09 0.07 0.02 0.09 0.05 0.03 0.11 0.03 -0.02 0.10 -0.01 -0.16 0.03 0.08 -0.14 -0.02 0.09 -0.10 -0.02 0.01 -0.07 0.01 0.00 0.04 0.08 0.12 -0.14 -0.22 -0.02 -0.01 -0.06 0.00 0.02 -0.04 0.01 0.06 -0.06 0.02 -0.05 -0.08 0.04 0.00 -0.07 0.08 -0.04 -0.07 -0.02 0.06 0.00 0.03 0.20 0.04 0.06 0.07 -0.01 0.03 -0.05 0.02 0.02 -0.00 0.12 0.02 -0.13 0.03 0.05 -0.14 -0.01 -0.16 -0.15 -0.06 -0.10 0.00 -0.01 0.04 -0.15 -0.04 -0.11 -0.00 0.12 -0.06 0.23 -0.02 -0.05 -0.01 -0.08 0.15 0.01 0.05 -0.06 -0.01 -0.03 -0.00 -0.01 -0.02 0.02 0.00 -0.07 -0.03 0.01 -0.03 0.02 0.03 -0.04 -0.05 -0.06 -0.05 0.10 -0.01 -0.02 0.00 0.04 0.04 -0.10 0.05 -0.00 -0.08 0.00 -0.04 -0.02 -0.01 -0.02 -0.04 -0.02 -0.05 -0.04 -0.09 -0.01 -0.01 -0.12 -0.00 -0.03 0.03 -0.02 -0.02 0.01 -0.01 -0.02 0.02 -0.04 -0.08 -0.04 0.03 0.05 -0.04 0.03 0.04 -0.04 0.03 0.04 -0.09 -0.04 -0.02 -0.19 0.18 -0.06 0.03 0.00 0.03 -0.01 0.05 -0.06 0.50 -0.10 0.15 -0.42 -0.09 0.34 0.01 0.02 -0.01 0.04 0.05 -0.02 0.01 -0.02 -0.03 0.05 0.08 -0.08 0.07 0.12 -0.06 0.08 0.04 -0.07 -0.01 0.02 0.01 -0.06 0.02 0.05 0.00 -0.02 0.02 0.00 0.02 0.01 -0.01 -0.01 0.02 0.02 0.02 0.01 0.06 0.02 0.08 0.07 0.05 0.04 0.01 -0.21 0.07 0.04 -0.01 0.12 -0.04 -0.02 0.03 -0.03 0.07 -0.15 0.02 0.04 -0.08 -0.01 0.01 -0.05 -0.22 -0.13 -0.12 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 -0.03 0.00 -0.01 -0.05 0.05 0.00 -0.00 0.01 0.01 -0.03 -0.00 -0.01 0.01 -0.05 0.01 0.04 -0.07 -0.18 -0.17 -0.17 -0.23 -0.19 -0.22 -0.09 0.05 0.02 -0.10 0.03 0.01 -0.01 -0.04 -0.01 0.05 0.00 0.02 0.03 0.01 0.01 0.01 -0.00 0.03 -0.04 0.20 -0.01 -0.09 0.18 -0.07 -0.06 0.21 -0.04 0.00 -0.02 0.01 0.06 -0.06 0.02 0.05 0.05 0.07 0.02 -0.02 0.01 -0.06 -0.20 -0.18 0.09 0.20 0.03 -0.02 -0.08 0.02 -0.01 -0.04 -0.00 0.04 -0.11 0.01 -0.02 -0.05 0.04 -0.03 -0.07 0.02 -0.04 -0.03 0.04 -0.01 0.03 0.11 0.00 0.05 0.16 -0.07 -0.06 0.10 0.25 0.04 0.04 0.22 0.01 -0.01 0.32 0.03 0.01 0.04 0.00 0.02 0.04 0.01 0.05 0.00 0.11 -0.03 0.01 -0.01 0.03 0.01 0.01 0.03 -0.09 0.09 0.01 -0.01 -0.03 0.07 0.00 -0.00 0.01 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.02 -0.01 0.02 -0.02 0.01 -0.01 0.00 -0.01 -0.00 0.02 -0.01 -0.00 -0.02 -0.02 -0.01 -0.02 -0.04 0.00 -0.03 0.00 0.02 0.04 0.01 -0.01 -0.01 0.01 -0.01 0.02 0.00 -0.03 -0.02 0.02 -0.03 0.02 -0.01 -0.04 0.01 0.02 0.00 0.01 0.03 -0.01 0.00 0.03 0.00 -0.00 0.01 -0.00 -0.07 0.16 -0.03 0.02 -0.00 0.01 0.02 -0.01 0.01 -0.22 0.57 0.30 0.21 -0.43 -0.39 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.03 -0.01 0.02 0.03 -0.03 0.04 0.05 -0.01 0.02 0.03 -0.04 0.00 -0.00 0.01 0.08 0.02 0.00 -0.01 0.01 0.00 0.03 -0.00 0.00 0.02 -0.02 0.01 0.05 0.00 -0.01 -0.03 -0.00 -0.03 -0.05 -0.04 0.01 0.00 -0.15 0.01 -0.03 -0.03 0.01 -0.01 0.01 -0.09 -0.01 -0.11 0.13 0.02 0.03 -0.04 0.22 -0.25 0.02 0.05 -0.05 0.01 -0.04 0.09 -0.06 0.04 0.02 -0.17 -0.11 0.12 -0.08 -0.11 0.19 -0.06 -0.09 0.03 0.09 -0.07 0.09 -0.03 0.24 -0.21 0.02 0.15 -0.21 0.03 0.03 -0.03 0.02 0.05 0.04 -0.00 0.00 0.01 -0.02 -0.00 0.02 -0.02 0.01 -0.13 0.13 0.13 0.00 0.04 0.07 0.01 -0.03 0.08 -0.05 0.02 -0.19 0.02 0.05 -0.15 0.05 -0.01 -0.20 0.07 0.10 -0.07 -0.05 0.04 -0.28 0.18 0.01 0.13 -0.01 0.17 0.00 -0.01 0.02 -0.12 -0.01 -0.06 0.10 0.05 -0.07 0.02 0.05 -0.01 0.02 0.19 -0.17 0.13 -0.12 -0.08 -0.01 -0.03 0.04 -0.01 -0.05 0.03 -0.06 0.04 0.03 -0.01 -0.02 -0.03 -0.07 -0.02 0.01 0.01 -0.06 -0.02 -0.02 -0.00 -0.00 -0.01 0.02 0.00 -0.06 0.01 0.00 0.00 0.02 0.01 0.02 0.06 -0.00 0.07 -0.02 -0.09 -0.05 -0.05 0.10 0.00 0.04 -0.02 0.00 -0.00 -0.01 -0.04 -0.03 0.04 0.11 -0.15 0.13 -0.08 0.09 -0.02 -0.02 0.10 -0.05 -0.00 0.12 -0.04 -0.07 0.08 -0.07 -0.09 0.07 0.01 -0.02 0.11 -0.07 -0.08 0.07 -0.04 0.12 -0.15 0.11 0.21 -0.08 0.06 -0.04 0.03 -0.04 -0.08 -0.19 0.08 0.01 -0.01 0.02 0.01 0.01 0.02 0.02 -0.10 0.04 -0.22 -0.01 -0.07 -0.12 -0.03 0.03 -0.13 0.05 -0.02 0.26 0.05 0.01 0.27 0.08 -0.06 0.20 0.09 0.02 -0.03 -0.01 0.02 -0.09 0.12 -0.00 -0.22 0.02 -0.19 -0.00 0.01 -0.02 0.16 -0.17 -0.05 -0.14 0.14 0.19 -0.04 -0.10 0.05 -0.04 -0.07 0.01 -0.08 -0.16 0.00 0.04 0.04 -0.03 0.03 0.08 -0.03 0.08 -0.01 -0.05 -0.01 -0.02 0.03 0.19 -0.01 -0.06 -0.08 0.08 0.01 0.03 0.01 0.01 0.01 -0.03 0.01 0.08 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.06 0.04 0.00 -0.03 0.01 0.01 -0.03 0.04 -0.01 -0.05 0.05 0.00 0.01 -0.02 -0.01 0.02 -0.02 -0.01 0.06 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.00 0.02 -0.01 0.01 0.02 -0.13 0.01 0.06 -0.01 -0.00 -0.09 0.02 -0.01 -0.03 0.02 -0.01 -0.02 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.06 0.05 0.01 -0.00 -0.05 0.01 0.04 -0.05 0.04 -0.07 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.00 -0.00 -0.02 0.02 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.05 -0.06 0.02 -0.31 0.69 -0.13 -0.01 -0.01 0.00 0.00 0.01 0.03 -0.09 -0.16 -0.15 0.10 0.04 -0.07 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 0.01 -0.04 0.01 -0.01 -0.01 -0.00 0.03 -0.02 0.00 -0.00 0.30 0.06 -0.03 -0.04 0.07 -0.01 -0.01 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.00 -0.05 -0.12 0.09 0.10 -0.13 -0.18 0.02 -0.13 0.21 -0.13 0.10 0.05 0.02 0.02 -0.03 0.00 -0.00 0.00 0.04 0.08 -0.01 0.03 -0.02 -0.03 0.01 0.00 -0.00 -0.01 -0.05 -0.05 0.02 0.01 0.01 0.01 -0.21 0.03 -0.05 -0.04 0.10 -0.16 0.07 -0.07 -0.01 -0.01 -0.00 -0.01 -0.06 0.03 0.01 0.00 -0.01 0.06 -0.12 0.14 -0.01 -0.01 0.05 -0.01 -0.02 0.04 -0.01 0.05 0.04 0.03 0.02 -0.01 0.02 0.03 -0.02 0.02 0.02 -0.01 -0.02 -0.01 0.00 -0.00 0.01 -0.06 -0.04 0.03 0.03 -0.02 0.02 -0.01 0.05 -0.26 0.05 0.03 0.01 0.01 0.00 -0.00 -0.01 0.05 -0.01 0.01 -0.05 0.06 0.08 0.00 0.01 -0.00 0.03 0.07 -0.04 0.03 -0.06 -0.03 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.05 -0.01 0.00 0.71 0.14 -0.05 -0.13 0.12 -0.02 -0.00 -0.01 -0.01 0.02 0.00 0.03 -0.05 -0.00 0.01 0.01 0.01 -0.03 -0.10 -0.28 0.15 -0.02 0.05 0.05 0.13 0.06 -0.09 0.06 -0.04 -0.02 -0.02 -0.01 0.03 0.01 -0.02 0.01 -0.00 -0.02 -0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.05 0.01 -0.03 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.13 -0.11 -0.01 -0.08 0.15 0.01 -0.05 0.15 0.00 0.03 0.01 0.04 0.05 -0.05 0.08 0.05 -0.03 0.02 0.05 -0.02 -0.01 0.00 -0.00 -0.05 -0.02 0.03 0.04 -0.03 0.00 0.01 0.02 0.01 -0.04 0.10 -0.00 0.04 0.06 -0.04 0.01 0.07 0.02 0.22 -0.53 -0.30 -0.01 -0.35 -0.14 0.00 0.00 -0.00 -0.02 -0.03 0.01 -0.02 0.03 0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.02 -0.00 0.02 0.03 0.02 0.00 -0.00 -0.06 0.02 0.08 0.08 -0.07 0.01 0.02 -0.01 -0.02 0.02 -0.07 0.07 0.01 0.00 -0.03 -0.07 -0.00 -0.10 -0.06 0.00 -0.14 -0.03 -0.13 -0.01 -0.05 -0.01 -0.09 -0.29 0.18 0.16 0.01 0.17 0.17 -0.02 0.02 0.01 -0.00 0.00 -0.01 0.03 -0.05 -0.02 -0.02 -0.00 0.01 -0.02 0.01 0.02 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.20 0.03 -0.10 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.02 -0.02 -0.00 -0.01 0.01 0.03 0.16 -0.07 -0.01 -0.01 0.11 -0.07 0.02 0.15 0.02 -0.04 0.01 0.02 0.02 -0.03 0.02 0.03 -0.02 0.02 0.01 -0.02 0.00 0.01 0.00 -0.05 -0.02 0.04 0.04 -0.04 -0.03 0.01 -0.02 0.01 -0.15 0.30 -0.05 0.02 0.02 -0.02 0.01 -0.05 -0.05 0.02 0.24 0.18 -0.14 0.45 0.34 0.00 0.00 -0.00 -0.06 -0.08 0.03 -0.02 0.08 0.03 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.03 0.04 0.01 0.01 0.00 -0.00 -0.04 0.02 0.07 0.06 -0.07 0.01 0.01 -0.02 -0.02 0.08 0.01 0.10 -0.11 0.02 -0.01 -0.04 0.00 -0.07 -0.04 -0.01 -0.13 0.09 0.08 -0.07 -0.03 -0.08 0.05 0.30 -0.19 -0.17 -0.04 -0.18 -0.04 0.01 -0.01 -0.00 0.02 0.00 0.00 0.00 -0.02 0.03 -0.05 0.01 0.02 -0.07 0.04 0.06 0.00 0.01 0.00 -0.00 -0.10 0.02 0.61 0.08 -0.29 -0.06 0.06 -0.09 0.01 -0.03 -0.00 0.05 0.01 -0.02 0.01 -0.02 0.02 -0.02 0.24 -0.23 -0.00 0.00 -0.04 0.01 -0.00 -0.05 -0.02 0.00 -0.02 -0.01 -0.03 -0.00 -0.01 -0.02 0.01 0.03 -0.04 -0.01 -0.00 0.02 0.01 -0.07 -0.02 0.09 0.04 -0.07 -0.08 -0.01 0.01 -0.00 0.08 -0.13 0.02 -0.01 -0.02 -0.00 -0.00 0.01 0.01 -0.02 0.01 -0.00 0.03 -0.09 -0.07 0.02 -0.00 -0.02 -0.16 -0.24 0.09 -0.02 0.25 0.11 0.02 0.01 0.01 0.01 0.02 -0.00 -0.07 0.12 -0.00 -0.03 -0.00 -0.02 0.19 0.12 0.17 0.05 -0.13 0.00 -0.01 0.00 0.01 -0.03 -0.01 -0.02 0.03 0.01 -0.03 0.02 0.00 0.03 0.01 -0.03 0.03 -0.03 0.01 0.04 0.05 0.04 -0.01 -0.04 0.03 0.04 0.01 0.03 -0.00 0.00 -0.00 -0.00 -0.03 -0.06 -0.00 0.03 -0.02 -0.08 -0.04 -0.01 0.02 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.17 -0.03 0.47 0.03 -0.16 0.09 -0.09 0.15 0.01 0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.01 -0.03 0.09 -0.39 0.41 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.03 -0.02 -0.01 -0.02 -0.00 0.03 0.02 0.03 -0.07 -0.06 0.02 0.02 -0.00 0.00 0.00 0.02 -0.01 0.00 0.00 -0.03 0.01 -0.00 0.01 -0.00 0.03 -0.02 -0.00 -0.02 -0.03 0.00 0.01 0.01 -0.01 -0.13 -0.05 -0.07 0.07 0.03 0.02 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.06 0.09 0.02 0.02 0.00 0.03 -0.11 -0.17 -0.34 -0.15 0.28 -0.02 0.00 0.00 -0.00 0.03 0.02 0.03 -0.04 -0.02 0.06 -0.00 -0.01 -0.02 -0.01 -0.01 0.07 -0.00 0.01 0.01 -0.04 -0.01 -0.02 -0.01 0.01 0.02 -0.00 0.00 0.02 -0.00 -0.00 0.01 -0.05 -0.14 -0.01 0.07 -0.10 -0.09 0.02 -0.00 -0.01 -0.00 0.22 0.21 -0.00 -0.01 -0.01 -0.02 0.18 0.03 -0.34 0.13 -0.22 0.13 -0.05 0.05 0.01 -0.02 -0.01 0.05 0.11 -0.08 -0.00 -0.01 -0.00 0.12 0.09 0.09 -0.01 0.00 -0.01 -0.02 0.01 -0.00 -0.05 -0.07 -0.10 0.00 0.03 0.02 -0.00 0.02 -0.00 -0.03 0.05 0.01 -0.01 0.01 0.02 -0.11 -0.04 0.05 0.01 -0.10 -0.13 -0.01 -0.01 0.01 0.12 0.06 -0.02 -0.00 0.04 0.05 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.01 -0.02 -0.02 0.00 -0.01 -0.02 0.14 -0.20 0.33 -0.14 0.35 0.14 0.01 -0.02 -0.03 0.02 -0.03 -0.01 0.08 -0.13 -0.02 -0.01 0.00 0.01 0.14 -0.03 -0.14 -0.09 0.13 -0.01 0.00 -0.00 0.00 0.08 0.10 0.05 -0.15 0.03 0.04 0.01 0.01 -0.01 -0.02 -0.06 0.08 -0.04 0.01 0.05 -0.01 -0.04 0.06 -0.01 0.00 0.01 -0.01 -0.03 -0.02 0.02 0.02 -0.04 -0.05 -0.15 -0.04 -0.10 0.15 0.15 -0.00 -0.02 -0.00 0.02 0.10 0.10 -0.01 -0.02 -0.00 -0.03 0.34 0.05 -0.23 0.04 -0.10 0.30 -0.08 -0.02 0.01 0.01 -0.02 -0.06 0.06 -0.05 0.02 0.00 -0.00 -0.17 -0.18 -0.12 0.00 -0.01 0.01 0.06 -0.02 -0.01 -0.00 0.03 0.02 0.03 -0.08 -0.07 0.03 -0.10 -0.04 0.02 -0.20 -0.10 0.01 -0.01 0.02 0.07 0.01 0.06 -0.01 0.00 0.02 -0.00 -0.00 0.01 -0.04 0.00 0.01 0.04 -0.04 -0.02 -0.00 -0.01 -0.01 -0.01 0.04 0.03 -0.02 0.08 0.05 0.01 0.00 -0.01 0.03 -0.05 0.07 -0.01 0.10 0.03 -0.05 0.12 0.10 -0.05 0.11 0.08 -0.02 0.04 0.14 -0.03 0.00 -0.01 0.17 0.06 0.02 0.03 0.01 0.00 -0.01 0.01 0.00 -0.20 -0.28 -0.06 0.35 -0.08 -0.08 -0.00 0.00 -0.00 -0.02 -0.06 0.06 0.03 0.01 -0.05 0.02 0.02 -0.02 0.03 0.02 -0.04 0.02 0.10 0.09 0.02 -0.00 -0.02 -0.03 0.14 0.15 -0.01 0.03 -0.00 0.00 -0.00 -0.00 -0.06 -0.02 0.00 0.01 0.02 0.00 0.02 -0.23 -0.02 -0.04 -0.02 0.04 -0.18 0.08 -0.07 0.00 0.00 0.02 0.23 0.00 0.03 0.00 0.02 -0.01 -0.00 -0.16 0.12 0.00 -0.01 0.01 0.01 0.03 0.01 -0.18 -0.21 -0.39 0.01 -0.02 -0.02 -0.01 -0.02 -0.02 0.01 -0.05 -0.03 -0.01 -0.01 0.00 0.01 0.01 -0.04 -0.06 0.01 -0.03 -0.03 -0.01 0.01 0.51 0.21 -0.11 0.01 -0.02 0.03 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.04 0.00 0.03 -0.01 0.02 0.00 -0.01 0.03 0.03 0.04 0.02 0.05 -0.01 0.05 -0.01 0.01 -0.01 -0.00 -0.04 0.02 0.10 -0.01 -0.10 -0.00 -0.00 0.00 -0.00 -0.02 -0.05 0.03 0.03 -0.02 0.00 0.00 0.01 -0.01 0.04 0.12 -0.00 -0.15 0.10 0.18 -0.17 -0.13 0.17 0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.11 -0.13 0.06 0.04 -0.02 -0.07 -0.00 -0.01 0.01 0.10 -0.01 -0.04 -0.01 -0.03 0.00 -0.04 0.44 0.07 0.11 -0.01 -0.00 0.46 -0.06 -0.20 0.01 0.02 0.01 0.01 0.04 -0.00 -0.00 0.01 0.01 0.05 0.09 0.02 -0.00 0.00 -0.01 -0.01 0.02 0.00 -0.09 -0.05 -0.16 -0.01 0.02 0.01 -0.01 0.02 0.01 -0.00 0.05 0.02 0.00 -0.01 -0.02 0.02 -0.00 0.02 0.02 0.02 0.05 -0.01 -0.01 0.01 0.19 0.10 -0.04 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.02 -0.01 0.01 0.02 -0.15 0.13 -0.25 0.09 -0.25 -0.10 0.01 -0.02 -0.03 -0.00 -0.04 -0.03 0.00 -0.03 0.01 -0.03 0.00 -0.01 0.21 0.14 0.20 -0.09 -0.19 -0.01 0.00 -0.00 -0.00 0.06 0.07 0.04 -0.11 0.03 0.02 0.00 0.01 -0.01 -0.01 -0.02 0.04 -0.05 0.04 0.07 -0.02 -0.05 0.07 -0.00 -0.01 0.03 -0.01 -0.03 -0.02 0.00 0.00 -0.00 0.04 0.05 -0.03 0.07 -0.02 -0.19 -0.00 0.00 -0.01 -0.07 -0.02 0.00 -0.00 -0.00 0.02 -0.01 -0.03 0.03 -0.05 -0.01 0.03 0.08 0.09 -0.28 -0.01 -0.01 -0.01 -0.03 -0.03 0.00 -0.02 0.04 -0.02 0.15 -0.22 0.41 -0.01 -0.00 -0.01 -0.03 -0.00 0.01 0.08 0.06 0.15 0.00 -0.03 -0.02 -0.01 -0.02 -0.01 0.01 -0.05 -0.02 0.00 0.00 0.01 0.03 0.01 -0.00 -0.02 -0.00 -0.03 0.01 0.01 -0.00 -0.19 -0.08 0.04 0.01 -0.02 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.02 0.01 -0.01 -0.02 0.00 -0.01 -0.01 0.09 -0.07 0.15 -0.04 0.15 0.06 -0.01 0.03 0.03 -0.01 0.04 0.02 -0.01 0.04 0.01 0.02 -0.01 -0.02 -0.07 0.14 0.38 -0.13 -0.39 -0.02 0.01 -0.00 0.00 0.10 0.11 0.07 -0.18 0.02 0.08 0.00 -0.01 0.01 0.04 0.09 -0.07 0.05 -0.06 -0.08 0.01 0.04 -0.07 -0.04 0.04 -0.01 -0.02 -0.03 -0.05 0.02 0.01 -0.03 -0.01 0.01 0.02 0.14 -0.25 -0.17 -0.01 -0.00 -0.01 -0.02 -0.10 -0.09 -0.00 -0.00 -0.01 0.01 0.01 -0.03 -0.06 -0.08 0.17 -0.04 -0.04 0.12 0.00 0.01 0.01 0.02 -0.01 0.02 -0.03 -0.03 0.01 0.22 0.49 -0.04 -0.02 -0.01 -0.02 -0.07 0.02 0.01 -0.02 0.03 -0.02 0.01 -0.08 -0.05 0.01 -0.07 -0.00 0.01 -0.16 -0.08 0.04 0.01 -0.00 -0.07 -0.05 0.03 0.10 -0.02 0.01 -0.00 0.00 -0.00 0.05 -0.03 0.00 0.02 -0.02 -0.02 0.00 0.00 0.01 -0.02 -0.01 -0.02 0.03 -0.02 -0.03 -0.00 0.00 0.01 -0.04 0.05 -0.08 0.01 -0.10 -0.04 -0.03 0.08 0.07 -0.01 0.09 0.07 -0.04 0.10 0.06 0.01 0.01 0.01 -0.02 -0.08 -0.20 -0.06 0.16 -0.01 0.01 0.00 -0.00 0.21 0.20 0.18 -0.37 0.11 0.07 0.01 -0.00 0.01 -0.00 -0.05 0.04 -0.03 -0.03 0.00 0.03 -0.00 0.01 -0.08 0.08 0.01 -0.03 -0.04 -0.09 -0.00 0.00 0.00 -0.03 0.05 0.10 -0.02 0.01 0.04 -0.02 0.03 -0.04 -0.25 -0.31 -0.25 -0.01 -0.02 -0.00 -0.01 0.23 -0.00 0.15 -0.20 0.43 0.20 -0.06 -0.02 0.01 0.02 0.02 0.05 -0.09 0.09 0.01 -0.01 0.00 -0.03 0.02 -0.07 0.00 0.00 0.00 0.02 -0.00 -0.00 -0.01 0.02 -0.02 -0.01 0.01 0.01 -0.01 0.02 -0.00 0.02 0.02 0.02 -0.00 0.01 -0.00 -0.02 0.00 -0.03 -0.03 -0.01 -0.06 0.01 0.00 -0.00 0.02 0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.02 0.01 0.06 0.03 -0.00 -0.02 -0.01 0.27 -0.05 0.28 -0.09 0.20 0.08 0.01 -0.03 0.00 0.11 0.01 0.08 -0.07 0.21 -0.21 -0.01 0.00 0.00 0.03 -0.01 -0.06 -0.01 0.05 0.00 -0.00 0.00 0.00 -0.04 -0.03 -0.03 0.06 -0.01 -0.02 -0.00 0.00 -0.00 -0.02 -0.04 0.04 -0.06 -0.08 0.02 0.01 -0.01 0.01 -0.02 0.04 -0.09 0.01 -0.00 0.02 -0.02 0.00 0.00 0.05 0.04 -0.04 0.04 -0.03 -0.08 0.00 0.01 -0.01 -0.02 -0.05 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.03 0.08 0.02 0.01 -0.05 -0.00 0.01 0.00 -0.03 -0.01 0.01 -0.00 -0.01 -0.00 0.08 0.11 0.02 -0.00 -0.00 -0.00 0.07 -0.07 -0.05 0.09 -0.12 0.06 -0.00 -0.01 -0.00 0.01 -0.02 0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.03 -0.01 0.02 0.03 -0.02 -0.01 0.00 -0.01 -0.01 -0.09 0.04 -0.01 0.00 0.00 -0.02 -0.02 0.04 0.01 0.08 -0.14 -0.06 -0.02 -0.29 -0.13 -0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.02 0.03 0.01 0.01 0.01 0.01 -0.08 0.02 -0.05 -0.02 0.00 0.07 0.00 -0.00 0.00 0.04 -0.01 -0.04 -0.11 0.00 -0.02 -0.01 0.01 0.01 -0.05 -0.01 -0.06 0.07 -0.02 -0.00 0.01 -0.00 -0.01 0.05 0.13 0.18 0.17 0.40 0.01 -0.24 -0.04 0.03 0.49 -0.41 -0.00 0.02 0.07 0.09 -0.01 0.01 0.00 -0.04 -0.04 0.03 -0.09 0.06 0.19 -0.00 -0.00 -0.00 -0.01 0.01 0.02 0.00 -0.00 -0.01 -0.00 0.05 0.00 0.02 0.01 -0.03 -0.00 -0.04 0.10 0.00 0.00 -0.00 0.02 -0.01 0.01 0.00 0.02 0.00 -0.20 -0.21 -0.10 0.00 0.01 -0.01 -0.15 0.14 0.09 -0.06 0.07 -0.03 0.00 -0.01 -0.00 -0.04 0.01 -0.03 0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.09 0.05 -0.07 -0.09 0.06 0.01 -0.01 -0.01 -0.00 0.00 0.03 -0.01 -0.01 -0.05 0.03 -0.01 0.03 0.02 0.01 -0.16 -0.11 0.05 -0.20 -0.14 -0.00 -0.00 -0.00 0.09 0.02 0.05 0.01 0.02 0.01 -0.00 0.01 0.01 0.01 0.01 0.02 -0.01 0.02 -0.01 -0.01 0.00 -0.00 -0.02 0.02 0.05 0.24 0.03 0.04 0.01 -0.02 -0.02 0.16 0.08 0.17 -0.23 0.06 0.02 -0.00 0.01 0.02 -0.06 -0.19 -0.28 0.00 0.14 0.06 0.33 -0.00 0.05 0.25 -0.18 -0.10 -0.05 -0.21 -0.21 0.00 -0.01 -0.02 0.04 0.04 -0.03 -0.08 0.06 0.19 -0.00 0.01 -0.01 -0.01 -0.03 -0.04 -0.00 -0.00 0.00 -0.00 0.04 -0.00 0.03 -0.02 0.04 0.03 -0.01 0.01 -0.00 0.01 0.00 -0.04 -0.04 0.02 0.01 0.01 0.01 -0.20 -0.13 -0.17 -0.01 -0.00 0.01 -0.02 -0.06 0.01 0.08 -0.12 0.04 0.00 -0.00 -0.01 -0.04 0.06 0.05 0.06 0.02 -0.02 -0.00 -0.01 0.01 0.10 0.05 -0.05 -0.09 0.06 0.01 0.00 0.00 -0.00 -0.00 -0.04 0.01 -0.00 -0.06 -0.01 0.01 -0.00 -0.02 0.04 0.15 0.12 -0.05 -0.01 0.04 0.00 -0.01 -0.01 0.10 -0.00 0.09 -0.01 0.06 0.03 0.01 0.00 0.01 -0.19 -0.06 -0.16 -0.06 -0.02 0.23 -0.02 -0.01 -0.00 0.11 0.01 -0.02 0.09 0.05 0.01 0.02 -0.02 -0.01 0.14 0.27 -0.08 -0.25 0.06 0.03 0.01 -0.00 -0.01 0.07 0.19 0.10 0.13 0.14 -0.06 -0.25 -0.05 0.04 -0.22 0.06 0.44 -0.02 -0.05 -0.03 0.00 -0.01 -0.02 -0.02 0.03 0.05 0.04 -0.04 -0.08 0.00 0.02 -0.01 0.07 -0.08 -0.13 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.04 -0.06 0.17 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.05 -0.04 0.03 -0.00 -0.00 -0.01 0.10 0.03 0.11 0.01 -0.00 -0.01 -0.06 0.14 0.04 -0.03 0.02 -0.02 -0.01 0.01 0.01 0.02 -0.03 -0.02 0.01 0.00 0.02 -0.00 0.01 0.00 -0.10 -0.04 0.01 0.05 -0.07 -0.07 -0.01 -0.01 0.00 0.01 0.02 -0.01 -0.00 0.03 -0.02 0.00 -0.01 -0.01 0.01 0.15 0.11 -0.02 -0.04 -0.00 0.01 -0.01 0.00 -0.14 -0.11 -0.01 -0.04 0.09 0.04 0.02 -0.01 -0.01 -0.19 -0.03 -0.17 -0.02 -0.08 0.22 0.01 0.01 0.00 -0.08 -0.01 0.02 0.00 -0.01 0.00 -0.01 0.02 -0.01 -0.07 -0.33 0.27 0.15 -0.03 -0.03 -0.01 0.01 0.00 -0.07 -0.20 -0.17 0.10 0.24 0.01 0.27 -0.01 0.04 -0.10 -0.03 0.42 0.00 0.09 -0.07 -0.00 -0.00 0.01 0.06 0.01 -0.08 -0.01 -0.03 0.04 -0.00 -0.01 0.00 -0.05 0.02 0.05 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.03 0.02 -0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.06 0.02 -0.01 0.00 0.00 0.00 -0.02 0.02 -0.04 0.00 0.02 -0.01 -0.03 0.17 0.01 0.10 -0.09 0.07 -0.00 0.01 0.01 -0.06 -0.04 -0.13 -0.02 -0.01 0.04 0.01 -0.00 0.00 0.02 0.01 -0.07 -0.05 0.04 -0.00 0.01 0.02 -0.01 -0.02 -0.13 0.03 -0.02 -0.04 0.06 0.00 0.00 0.00 0.01 -0.04 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.04 0.00 0.02 -0.03 -0.01 0.00 -0.01 -0.00 0.04 0.04 0.03 0.01 0.02 -0.08 -0.01 -0.01 0.00 0.15 0.01 -0.03 0.02 0.05 0.01 -0.00 0.01 -0.02 0.06 -0.44 0.61 -0.02 0.02 -0.02 0.01 -0.02 -0.01 0.11 0.28 0.04 0.02 -0.11 -0.06 -0.30 -0.10 0.10 -0.03 0.05 -0.08 -0.02 -0.12 -0.07 0.00 -0.00 -0.01 0.02 -0.06 -0.06 0.04 0.03 -0.16 -0.02 -0.02 0.00 -0.09 0.07 0.12 0.00 0.00 0.00 0.00 -0.04 0.01 0.19 0.06 -0.23 -0.01 0.02 -0.04 0.01 0.00 -0.00 -0.11 0.01 -0.01 -0.01 -0.01 0.01 0.08 0.18 -0.01 0.00 -0.01 -0.00 0.03 0.04 -0.01 -0.02 -0.00 -0.02 -0.00 0.01 0.00 -0.01 0.00 -0.01 0.03 0.01 0.02 0.01 -0.02 -0.01 0.18 0.07 -0.02 -0.09 0.15 0.14 -0.01 -0.01 -0.00 0.01 0.04 -0.01 -0.01 -0.05 -0.04 0.00 -0.00 -0.01 0.01 0.06 0.04 -0.02 -0.00 0.01 -0.03 0.00 -0.00 0.60 0.33 0.21 0.06 -0.15 -0.06 0.00 -0.00 0.00 -0.02 -0.00 -0.02 -0.02 0.03 -0.00 0.01 0.01 0.00 -0.09 -0.02 -0.00 -0.12 -0.04 -0.02 -0.00 0.01 0.00 -0.03 -0.08 0.04 0.06 -0.02 -0.00 -0.00 0.01 -0.00 -0.06 -0.15 0.00 -0.00 0.12 0.05 0.12 0.00 0.01 -0.04 -0.02 0.16 0.02 0.08 0.05 -0.00 0.00 0.01 -0.11 0.22 0.25 0.01 -0.03 0.02 0.00 0.00 0.01 0.00 0.04 0.04 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.02 0.04 -0.07 0.11 0.06 -0.25 -0.02 -0.01 -0.02 0.36 -0.13 0.07 -0.00 -0.01 0.01 -0.00 0.12 -0.09 -0.00 0.01 0.00 0.16 0.06 -0.08 -0.01 0.05 0.03 0.01 -0.00 -0.01 -0.21 0.05 -0.16 -0.00 0.01 -0.03 0.01 -0.01 0.01 0.05 0.05 -0.29 -0.26 0.11 -0.15 0.01 0.00 0.01 -0.06 -0.03 0.02 -0.05 -0.12 0.29 -0.00 0.01 -0.01 0.04 -0.06 -0.03 -0.03 0.01 0.03 0.01 0.00 0.00 -0.04 -0.01 -0.03 0.03 0.00 0.01 -0.00 0.00 -0.00 -0.06 -0.02 -0.05 0.02 -0.09 0.11 0.01 0.00 0.01 -0.13 -0.06 -0.07 -0.08 0.03 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.04 -0.11 0.12 0.08 -0.06 -0.10 0.05 0.06 -0.09 0.01 0.00 -0.02 0.02 -0.18 0.18 -0.00 0.00 -0.00 -0.13 0.10 0.20 0.03 -0.21 0.15 -0.01 -0.00 0.01 -0.01 0.03 0.04 0.00 -0.01 -0.01 -0.00 0.07 -0.01 0.07 0.04 -0.10 0.02 -0.04 0.06 -0.01 -0.00 -0.02 0.23 -0.11 0.06 -0.00 0.01 -0.00 0.03 -0.02 0.07 -0.00 -0.02 -0.01 -0.04 -0.10 0.01 -0.03 0.09 0.01 -0.01 0.00 -0.00 0.19 -0.09 0.06 -0.12 -0.05 0.01 0.01 0.00 0.01 -0.24 -0.08 -0.33 0.04 -0.01 0.03 0.01 -0.01 0.01 -0.08 0.03 0.01 0.02 0.22 -0.02 -0.00 -0.01 0.00 -0.04 0.08 0.04 0.02 0.02 -0.02 -0.01 0.00 0.00 0.16 0.11 0.04 0.01 -0.07 -0.03 0.00 -0.00 0.00 0.00 0.08 0.02 0.09 -0.11 -0.04 -0.02 -0.01 -0.00 0.15 0.04 0.03 0.20 0.05 0.03 0.00 0.01 -0.00 0.01 -0.00 0.02 -0.04 0.02 -0.00 -0.00 -0.01 0.01 0.08 0.22 -0.18 0.03 0.03 -0.01 -0.03 0.09 -0.13 0.04 -0.04 0.00 0.03 0.40 -0.01 0.00 -0.00 -0.00 -0.10 -0.17 0.01 0.05 -0.06 -0.12 -0.00 -0.00 -0.01 0.03 -0.03 -0.04 0.01 -0.00 -0.02 -0.00 0.05 0.01 0.01 -0.03 0.06 -0.14 -0.14 0.44 -0.00 0.00 0.01 0.05 0.14 -0.07 -0.02 -0.00 -0.01 0.13 0.07 0.14 -0.00 0.01 0.00 0.13 0.03 -0.06 -0.06 0.13 -0.02 0.00 0.00 -0.00 -0.21 0.07 -0.10 0.06 0.03 -0.03 0.01 -0.00 -0.00 0.05 0.01 0.04 -0.11 0.00 -0.15 0.01 -0.01 0.00 -0.05 0.07 -0.01 -0.04 -0.16 0.18 0.00 0.01 -0.01 0.05 -0.03 -0.01 -0.04 0.00 0.03 -0.00 0.00 0.01 0.05 0.04 0.01 0.00 -0.02 -0.00 0.00 0.00 0.00 -0.01 -0.07 -0.03 -0.05 0.05 0.05 -0.01 -0.01 -0.02 0.23 0.10 0.13 0.12 -0.05 0.01 -0.01 0.01 0.01 -0.07 0.00 -0.11 0.11 -0.03 -0.01 -0.01 -0.01 0.02 0.10 0.26 -0.24 -0.04 0.06 0.06 -0.02 0.11 -0.15 -0.03 0.00 0.07 0.01 -0.24 0.15 0.01 -0.01 -0.02 0.00 -0.09 -0.05 -0.04 0.02 0.09 0.00 -0.00 0.00 0.03 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.04 0.01 -0.05 -0.01 0.03 -0.03 0.01 0.01 0.01 -0.00 0.00 -0.09 0.04 -0.02 0.01 0.01 0.00 -0.10 -0.09 -0.07 -0.01 -0.01 -0.02 0.22 0.01 -0.14 -0.04 0.13 0.01 0.00 0.01 0.01 -0.06 -0.04 -0.13 -0.03 -0.02 0.02 0.00 0.00 -0.00 0.03 0.01 0.04 -0.01 -0.01 -0.03 0.01 -0.02 -0.00 -0.14 0.18 -0.04 -0.01 -0.02 0.08 -0.00 -0.01 -0.01 0.02 0.06 0.05 -0.04 0.05 0.05 0.01 -0.00 0.00 -0.10 -0.06 -0.04 -0.01 0.03 0.01 -0.01 -0.00 0.00 0.15 0.01 0.11 0.02 0.06 -0.19 0.00 0.01 -0.01 -0.10 0.01 0.04 0.03 -0.05 -0.00 0.02 -0.00 -0.01 0.14 -0.03 0.26 -0.23 0.06 0.04 -0.00 -0.01 0.00 -0.04 -0.10 0.25 -0.22 0.22 0.28 0.00 0.14 -0.21 -0.01 -0.03 0.11 0.07 0.26 0.32 -0.01 0.00 0.01 0.11 0.00 -0.14 0.01 -0.09 0.05 0.01 -0.00 -0.00 -0.15 -0.02 0.05 -0.00 -0.00 -0.00 -0.00 0.05 -0.01 0.00 -0.01 0.02 -0.01 -0.05 0.12 -0.00 0.00 0.01 -0.01 0.16 -0.08 -0.01 0.01 -0.01 0.02 -0.04 0.06 -0.00 -0.03 -0.01 0.20 0.16 -0.10 0.11 -0.26 0.02 -0.00 0.00 0.00 -0.08 -0.05 -0.16 -0.03 -0.02 0.05 0.01 -0.00 0.00 -0.05 -0.03 -0.01 -0.04 -0.04 -0.11 -0.02 0.03 -0.00 0.13 -0.17 0.03 -0.02 -0.03 0.13 -0.01 -0.01 -0.01 0.01 0.02 0.02 -0.01 0.04 0.03 -0.00 0.00 0.01 -0.03 0.03 -0.05 0.02 -0.06 -0.02 0.01 -0.01 0.00 -0.05 0.11 -0.00 -0.02 0.08 -0.07 -0.00 0.00 -0.01 -0.03 0.03 0.07 0.17 -0.02 0.02 0.01 -0.00 0.00 0.03 0.10 -0.07 -0.09 0.02 0.02 -0.01 0.02 0.00 -0.07 -0.15 -0.13 0.21 -0.10 -0.24 0.11 -0.19 0.31 0.04 -0.03 -0.03 0.08 0.30 0.30 -0.01 0.01 0.01 -0.14 -0.01 0.18 -0.05 0.16 -0.03 0.01 -0.00 -0.01 -0.15 -0.02 0.04 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.03 -0.02 0.03 -0.04 -0.02 0.07 -0.01 -0.01 -0.00 0.42 0.27 -0.16 0.01 0.00 -0.00 -0.08 -0.12 -0.04 -0.00 0.00 -0.01 -0.02 -0.08 -0.01 -0.04 0.02 -0.03 -0.00 0.00 0.00 0.05 -0.01 0.03 0.04 -0.01 0.05 -0.02 0.00 -0.02 0.03 -0.03 0.45 0.10 -0.16 -0.11 -0.00 0.00 0.02 0.01 -0.01 0.02 0.01 -0.01 -0.10 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.11 0.12 -0.01 0.01 -0.11 -0.05 0.01 -0.01 0.00 -0.12 0.06 -0.07 -0.05 0.04 0.06 0.00 0.01 -0.00 -0.02 -0.00 -0.01 -0.08 -0.03 -0.02 0.01 -0.00 -0.01 0.07 -0.05 0.16 -0.10 0.02 0.02 0.00 -0.01 -0.00 -0.01 -0.02 0.16 0.19 -0.10 -0.21 -0.01 0.14 -0.21 0.04 -0.02 -0.03 -0.00 0.06 -0.02 0.00 0.01 0.02 -0.09 -0.10 0.07 -0.00 0.05 -0.05 -0.02 0.02 -0.00 0.33 -0.02 -0.19 0.01 0.00 -0.01 -0.00 -0.01 0.01 0.08 -0.02 0.06 -0.08 -0.05 0.19 0.01 0.01 -0.00 -0.17 -0.21 0.12 -0.01 -0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.01 -0.01 0.11 -0.01 -0.07 -0.13 0.14 -0.11 -0.00 -0.00 0.01 0.03 -0.04 -0.03 0.00 0.02 0.04 -0.00 -0.00 -0.00 0.13 0.07 -0.00 -0.02 0.09 0.12 -0.01 -0.00 0.01 0.16 -0.03 -0.00 0.01 -0.02 -0.10 -0.00 -0.00 0.00 -0.02 -0.04 -0.03 0.01 0.05 0.01 0.00 -0.01 -0.01 0.08 -0.05 0.11 -0.04 0.13 0.06 -0.00 0.01 -0.02 -0.19 0.00 -0.14 0.05 -0.23 0.30 0.00 0.00 -0.01 -0.02 0.04 0.08 0.00 -0.08 -0.01 0.01 -0.00 -0.00 0.06 -0.02 0.12 -0.10 0.02 0.02 -0.00 0.00 -0.00 -0.02 -0.03 0.12 0.07 -0.21 -0.13 -0.05 -0.01 0.01 0.11 0.01 -0.28 0.04 0.16 0.16 -0.01 -0.00 -0.00 -0.04 0.14 0.14 -0.00 0.20 -0.24 0.02 -0.00 0.01 -0.15 0.03 0.11 -0.00 -0.01 -0.01 -0.00 0.07 -0.01 -0.15 0.03 -0.04 -0.00 -0.06 0.13 0.00 -0.00 -0.02 0.12 -0.16 0.09 -0.01 -0.02 0.01 0.02 0.12 -0.05 0.01 -0.02 -0.00 -0.06 -0.01 0.03 0.03 -0.02 0.03 -0.00 0.02 0.00 0.04 0.01 0.05 0.09 0.03 0.06 -0.02 -0.02 -0.00 0.40 0.18 0.07 -0.20 0.20 0.12 0.00 0.00 -0.00 -0.04 -0.02 0.01 -0.00 -0.11 -0.16 -0.00 -0.01 0.00 -0.03 0.06 0.03 0.02 0.01 -0.01 0.02 -0.00 -0.01 -0.24 -0.16 -0.07 0.01 0.09 0.04 0.00 -0.01 -0.00 0.06 -0.01 0.04 -0.07 0.16 -0.11 -0.00 -0.00 0.01 0.11 0.01 -0.03 -0.10 0.00 -0.01 0.00 -0.00 0.00 0.03 0.01 0.03 -0.04 0.01 0.01 -0.00 0.00 0.01 0.04 0.12 -0.22 0.01 0.03 -0.00 0.03 -0.02 0.04 0.02 -0.03 0.02 0.02 0.33 -0.04 -0.00 -0.01 -0.01 -0.07 0.13 0.15 0.00 0.03 -0.03 0.01 -0.00 0.01 -0.12 0.02 0.09 0.00 -0.01 -0.02 -0.01 0.13 -0.01 -0.02 0.04 -0.08 -0.10 -0.17 0.48 0.00 0.01 -0.02 0.08 -0.25 0.14 0.00 0.00 0.00 0.01 -0.02 0.02 -0.00 0.02 0.01 -0.01 -0.00 -0.00 0.07 -0.08 0.05 0.00 -0.00 -0.00 0.04 -0.02 0.00 -0.09 -0.05 -0.01 -0.00 0.00 -0.01 -0.06 -0.02 -0.06 0.14 0.02 0.18 0.00 0.01 -0.00 -0.04 -0.07 0.02 0.02 0.11 0.02 0.00 0.01 -0.00 0.03 -0.01 0.00 -0.02 -0.03 0.01 -0.00 0.00 -0.00 -0.03 -0.02 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.07 0.08 0.07 0.08 -0.03 -0.15 0.01 0.02 -0.03 -0.09 0.09 0.21 0.00 -0.20 -0.02 -0.00 0.00 0.00 -0.02 -0.01 -0.01 0.04 -0.01 -0.00 0.01 0.01 -0.02 -0.08 -0.23 0.35 0.05 0.06 -0.03 -0.08 -0.07 0.09 -0.06 0.00 0.14 -0.03 -0.24 -0.04 -0.00 0.01 0.01 0.05 -0.07 -0.10 0.04 -0.23 0.14 0.02 -0.01 -0.00 -0.21 0.02 0.13 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.14 0.01 -0.02 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.15 0.02 -0.01 -0.01 0.01 -0.01 0.05 0.05 0.04 -0.00 0.01 -0.01 0.02 -0.17 -0.04 -0.08 -0.05 -0.12 -0.01 0.01 0.00 0.02 0.07 0.14 0.18 0.02 0.02 0.01 -0.01 0.02 -0.03 0.02 -0.30 -0.04 0.10 0.13 -0.02 -0.01 0.02 0.17 0.12 -0.03 0.01 -0.06 -0.20 -0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.01 -0.10 -0.06 -0.04 0.01 0.01 0.00 0.02 -0.02 0.00 -0.12 0.00 -0.09 -0.25 0.34 0.02 -0.00 -0.00 -0.01 -0.06 0.02 0.07 0.13 -0.02 0.01 -0.00 0.01 -0.00 -0.01 -0.08 0.08 0.03 0.00 -0.01 0.00 -0.00 0.01 -0.02 -0.06 0.14 0.15 -0.09 -0.17 0.05 0.20 -0.28 0.03 -0.02 -0.02 -0.01 -0.09 0.03 0.01 -0.00 -0.00 0.00 0.18 0.12 0.01 -0.07 0.04 0.01 -0.00 0.00 -0.12 0.02 0.08 -0.01 -0.00 0.00 0.00 0.02 -0.02 -0.04 0.03 -0.07 0.07 0.04 -0.16 0.01 -0.01 -0.01 0.02 -0.21 0.11 -0.00 0.00 -0.01 0.01 -0.05 0.06 -0.02 0.00 -0.01 0.25 0.17 -0.13 -0.02 0.07 0.00 0.01 -0.01 0.02 -0.04 -0.01 -0.03 0.08 -0.01 0.05 -0.02 0.02 -0.03 -0.04 -0.03 0.26 0.37 -0.04 0.35 0.00 -0.00 -0.00 -0.03 -0.00 -0.00 0.03 -0.03 -0.22 -0.00 0.01 -0.01 0.05 -0.04 -0.01 -0.04 0.02 0.05 -0.01 0.00 -0.01 0.03 -0.00 0.03 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.03 -0.04 -0.05 0.03 0.06 -0.01 -0.01 0.01 0.05 -0.03 -0.08 0.15 0.12 0.03 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.03 0.00 0.01 -0.01 -0.00 0.01 0.03 0.10 -0.21 -0.05 0.02 0.06 0.05 -0.03 0.06 -0.01 0.01 -0.00 0.03 -0.25 0.33 -0.01 -0.01 -0.01 -0.13 -0.20 0.05 -0.02 0.10 -0.05 -0.00 -0.00 0.01 0.12 0.01 -0.03 0.01 0.01 0.01 0.00 -0.09 0.02 -0.03 0.00 0.00 -0.02 0.06 -0.13 0.01 0.01 -0.00 -0.14 -0.05 0.03 0.01 -0.00 0.01 -0.03 -0.00 -0.05 -0.00 0.01 0.01 0.00 0.05 0.02 -0.16 0.21 -0.10 0.01 0.01 -0.00 0.00 -0.12 -0.22 -0.15 -0.14 0.15 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.05 0.02 0.10 -0.01 -0.01 0.01 0.11 0.00 -0.00 0.00 0.09 0.11 0.00 0.00 -0.00 0.02 0.01 0.01 -0.01 -0.03 -0.00 0.00 -0.00 -0.00 -0.04 -0.04 0.00 -0.01 0.04 0.02 0.01 -0.03 0.02 -0.09 0.46 0.07 0.05 0.10 -0.33 0.00 -0.00 0.01 0.04 -0.03 -0.07 -0.12 0.03 -0.01 0.00 -0.01 0.00 -0.00 0.07 -0.08 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.04 0.11 -0.09 0.26 0.02 -0.24 -0.01 0.03 -0.05 -0.02 -0.05 0.20 -0.02 -0.12 -0.02 -0.01 0.00 -0.00 -0.32 -0.29 0.22 0.01 -0.12 0.10 -0.00 -0.01 0.00 0.16 0.04 -0.02 0.01 0.01 0.00 0.00 -0.10 0.03 -0.09 0.01 -0.02 -0.06 0.05 -0.07 0.00 0.00 -0.01 0.08 0.04 -0.03 -0.00 0.01 -0.01 0.01 -0.00 0.02 0.00 -0.01 -0.00 -0.01 0.08 0.01 -0.09 0.34 0.04 -0.01 -0.00 0.00 -0.03 0.09 0.14 0.17 0.06 -0.05 0.00 0.01 0.01 -0.06 -0.02 -0.04 0.00 -0.02 -0.03 0.02 0.00 -0.01 -0.13 -0.18 0.05 -0.00 -0.09 -0.10 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.02 0.02 0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.00 0.10 -0.17 0.02 -0.19 0.30 -0.05 0.00 -0.00 -0.00 -0.05 -0.00 0.02 0.03 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.02 -0.00 -0.01 0.00 0.01 -0.02 -0.02 -0.05 0.11 0.03 0.03 -0.02 -0.13 -0.26 0.36 0.01 -0.02 0.05 0.01 0.08 -0.01 -0.02 0.00 -0.00 0.08 0.21 0.01 0.02 -0.12 0.04 -0.02 -0.01 0.02 0.55 0.06 -0.17 -0.01 -0.01 0.00 0.00 0.05 -0.02 -0.03 0.03 -0.08 0.05 -0.00 -0.04 -0.01 -0.00 0.00 0.03 -0.13 0.08 -0.01 0.00 -0.01 0.05 0.01 0.08 0.00 0.00 -0.00 -0.02 -0.11 -0.00 0.06 -0.21 -0.02 0.01 -0.00 -0.00 -0.05 0.06 0.05 0.07 0.06 -0.03 -0.00 0.01 -0.01 0.09 0.02 0.23 -0.03 -0.03 -0.10 -0.01 0.00 0.01 0.09 0.03 -0.01 -0.01 -0.12 -0.05 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.09 0.03 0.05 -0.02 0.02 0.01 -0.01 0.01 0.01 0.26 -0.11 0.17 0.01 0.11 -0.25 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.23 0.06 0.03 -0.00 0.00 -0.00 -0.01 -0.04 0.03 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.03 0.02 0.19 0.00 -0.19 0.03 0.09 -0.12 -0.02 -0.04 0.13 0.00 0.01 -0.02 0.02 -0.01 -0.00 -0.02 -0.00 0.03 0.05 -0.34 0.18 0.00 0.01 -0.00 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.03 -0.01 0.02 0.02 0.02 -0.06 -0.00 -0.01 0.00 0.07 0.06 -0.04 -0.02 0.01 -0.02 0.11 0.06 0.12 0.00 0.01 0.01 -0.05 0.01 0.04 0.03 0.02 0.04 0.01 0.02 0.00 0.08 -0.11 -0.14 0.01 -0.07 0.30 -0.01 -0.01 0.00 0.26 0.10 0.19 -0.21 0.07 -0.11 0.01 0.00 -0.01 -0.10 -0.02 0.01 0.01 -0.12 -0.24 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.18 0.35 -0.03 0.08 -0.13 -0.01 -0.01 -0.00 -0.01 -0.05 0.01 0.04 0.29 0.05 0.04 -0.00 0.01 0.00 -0.05 0.02 -0.09 0.08 -0.01 -0.02 0.01 0.00 -0.01 -0.03 -0.07 0.17 -0.16 0.03 0.16 -0.08 -0.04 0.04 -0.03 0.04 -0.04 -0.02 -0.04 -0.11 0.02 -0.00 0.00 0.18 0.29 -0.05 -0.02 0.03 0.04 0.00 -0.01 0.01 0.19 0.07 0.01 -0.01 -0.01 -0.01 -0.01 0.08 -0.02 -0.12 0.05 -0.12 0.02 -0.06 0.12 -0.01 -0.01 -0.00 -0.04 -0.20 0.11 0.01 0.00 0.00 -0.04 -0.05 -0.03 0.01 -0.01 0.01 -0.09 0.08 0.07 -0.03 0.09 -0.00 -0.01 0.01 -0.01 -0.14 -0.01 -0.16 0.13 -0.05 0.13 0.01 0.02 -0.00 -0.18 -0.08 0.07 0.08 -0.13 -0.15 0.00 -0.00 -0.00 -0.02 0.03 -0.01 -0.04 -0.11 0.16 0.00 -0.00 0.01 -0.03 0.01 -0.00 0.02 0.01 -0.02 -0.01 0.00 0.01 0.09 0.07 0.01 0.01 -0.06 -0.02 0.02 -0.03 -0.00 -0.25 0.20 -0.14 -0.28 0.34 0.08 0.01 0.00 -0.00 0.02 0.01 0.00 -0.17 -0.06 -0.03 -0.00 -0.00 0.00 -0.00 0.04 -0.05 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.02 0.02 -0.15 -0.01 0.15 -0.02 -0.01 -0.00 0.02 0.03 -0.13 -0.00 0.15 -0.13 -0.00 0.01 0.00 -0.02 -0.03 0.03 0.02 -0.13 0.04 0.01 0.00 -0.00 -0.30 -0.02 0.10 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 0.00 -0.00 0.02 0.03 -0.09 0.02 0.00 -0.01 -0.17 -0.16 0.09 -0.01 0.00 -0.01 0.06 -0.00 0.09 0.02 -0.01 0.01 -0.15 -0.10 0.08 -0.11 0.17 -0.06 -0.01 0.01 -0.00 -0.22 0.07 -0.12 -0.07 0.02 -0.19 0.00 0.00 -0.03 0.11 0.02 0.29 0.11 0.02 0.12 0.00 -0.01 0.00 0.06 0.01 -0.01 -0.07 -0.06 0.47 -0.00 -0.00 0.00 -0.03 0.03 0.01 0.02 -0.01 -0.02 -0.00 0.00 -0.00 -0.03 -0.01 -0.01 0.02 -0.01 -0.00 0.00 0.00 0.00 0.03 -0.15 -0.02 0.04 -0.08 0.07 -0.01 -0.00 -0.00 -0.02 -0.01 -0.00 0.26 0.07 0.04 -0.00 0.00 0.00 -0.02 -0.01 -0.01 0.03 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.12 0.07 -0.03 -0.08 -0.07 0.01 -0.03 0.03 -0.02 0.00 -0.00 0.23 -0.20 0.01 -0.00 -0.00 0.03 0.03 -0.02 -0.02 0.42 -0.45 0.00 -0.00 0.00 0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.03 0.01 -0.03 0.04 0.03 -0.10 0.00 -0.00 -0.00 -0.03 -0.03 0.02 -0.01 -0.02 0.02 0.04 -0.00 0.08 -0.01 0.01 -0.01 0.03 -0.16 -0.04 -0.03 0.08 0.00 -0.00 0.00 -0.01 0.09 0.04 0.17 -0.03 -0.04 -0.05 0.01 0.00 0.01 -0.07 -0.03 -0.06 -0.08 -0.05 -0.16 0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.01 0.14 0.04 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.00 0.00 0.00 0.01 0.03 -0.01 0.01 -0.03 -0.01 0.01 -0.02 0.00 -0.12 0.14 -0.05 -0.07 0.09 0.01 -0.02 -0.01 -0.01 -0.02 -0.00 0.00 0.56 0.14 0.09 0.00 -0.01 0.00 0.02 -0.02 0.06 -0.02 -0.00 0.02 0.00 0.01 -0.00 -0.02 -0.06 0.09 -0.06 0.01 0.06 -0.06 -0.05 0.07 -0.00 0.02 -0.03 -0.00 -0.08 0.07 -0.01 0.00 -0.00 0.25 0.25 -0.14 0.00 -0.08 0.10 0.01 0.00 0.00 -0.19 -0.02 0.07 -0.01 -0.01 -0.00 -0.01 0.06 -0.01 0.01 0.02 -0.04 0.03 -0.04 0.07 0.01 -0.02 0.01 -0.11 -0.12 0.06 0.00 0.01 -0.00 -0.02 -0.01 -0.02 -0.01 0.00 -0.01 0.06 -0.05 -0.05 -0.25 0.47 -0.10 0.01 0.00 -0.00 0.11 0.06 0.20 -0.02 0.03 -0.06 0.01 0.00 0.01 0.02 -0.00 0.11 -0.20 -0.08 -0.37 0.00 -0.02 0.00 0.08 -0.01 -0.01 0.03 0.03 -0.16 -0.00 0.00 -0.00 0.02 -0.01 0.00 -0.01 -0.01 0.01 0.00 0.01 0.01 -0.01 0.04 -0.04 0.02 -0.07 -0.03 -0.01 0.00 0.01 0.06 -0.02 0.05 0.12 -0.13 -0.07 0.00 0.00 0.00 0.01 0.00 -0.00 -0.14 -0.04 -0.02 0.00 0.00 -0.00 0.00 -0.03 0.04 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 0.04 -0.03 0.12 0.00 -0.11 -0.01 -0.08 0.13 0.01 -0.04 0.09 0.01 -0.08 0.10 0.01 -0.00 -0.00 0.05 0.06 -0.04 0.02 -0.20 0.17 -0.01 -0.00 0.00 0.16 0.01 -0.06 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.01 0.02 0.01 -0.01 0.02 -0.01 -0.01 0.00 0.12 0.13 -0.07 -0.00 0.01 -0.01 0.01 0.02 -0.01 -0.01 0.00 -0.01 0.04 -0.19 -0.05 0.03 -0.02 0.03 -0.01 0.01 -0.02 0.07 0.19 0.38 -0.13 -0.08 -0.30 -0.01 -0.02 -0.02 0.22 0.07 0.13 -0.01 0.12 0.19 0.00 0.00 -0.01 -0.04 -0.02 0.01 -0.01 0.26 0.32 -0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.03 0.02 -0.01 0.06 0.02 0.02 -0.04 0.01 -0.17 0.26 -0.06 -0.07 0.09 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.12 -0.03 -0.02 -0.00 0.01 -0.00 0.00 -0.08 0.09 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.10 -0.08 0.01 0.08 0.05 -0.06 0.11 -0.00 0.02 -0.05 0.01 -0.07 0.13 -0.01 0.00 -0.00 0.30 0.25 -0.22 0.01 0.04 -0.07 -0.01 0.00 -0.00 0.13 0.00 -0.06 -0.01 -0.01 0.00 -0.00 0.08 -0.02 0.00 -0.02 0.04 0.05 -0.03 0.04 -0.02 -0.03 0.03 0.27 0.35 -0.19 -0.01 -0.00 0.00 0.03 0.03 0.02 -0.00 -0.01 0.01 -0.02 0.18 0.04 -0.17 0.33 -0.06 -0.00 0.00 0.01 0.01 -0.12 -0.17 -0.03 -0.02 0.02 -0.01 -0.02 -0.00 0.06 0.04 -0.16 0.10 0.13 0.36 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.06 0.01 0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.05 0.04 -0.02 0.08 0.03 0.01 0.01 -0.01 0.08 -0.15 0.01 -0.04 0.05 0.02 -0.00 -0.00 -0.01 -0.01 0.02 0.03 0.12 0.01 0.02 -0.00 -0.00 0.00 -0.01 0.05 -0.07 0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.16 0.05 -0.01 -0.05 -0.07 -0.03 0.02 0.01 -0.02 0.04 -0.02 0.03 -0.09 -0.00 0.00 0.00 -0.05 -0.03 0.05 0.01 -0.07 0.05 0.00 -0.01 0.00 0.01 0.02 0.02 0.00 0.00 0.00 0.00 -0.01 0.00 -0.05 0.01 -0.02 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.08 -0.10 0.06 -0.00 0.00 -0.01 0.02 0.01 0.01 -0.01 -0.00 0.01 0.06 0.27 -0.00 0.03 -0.07 0.00 -0.02 0.00 0.01 0.31 -0.32 -0.15 -0.23 -0.08 -0.08 0.00 -0.01 0.00 0.16 0.04 0.17 -0.18 0.01 -0.19 -0.00 0.00 0.00 0.01 0.02 -0.00 0.04 0.47 0.06 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.01 -0.02 -0.01 0.03 0.01 -0.01 0.06 -0.30 -0.07 -0.20 0.25 0.12 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 0.04 -0.06 0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 0.02 0.04 0.01 -0.02 -0.01 -0.01 0.05 -0.08 0.00 0.00 -0.01 -0.02 -0.10 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.00 0.02 -0.03 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.02 -0.02 0.01 -0.00 -0.00 0.00 0.02 0.01 0.02 -0.01 -0.04 -0.00 0.03 0.76 0.06 0.01 -0.04 -0.01 0.01 0.00 -0.00 -0.05 0.23 0.35 0.04 0.04 -0.23 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.03 -0.00 -0.00 0.00 0.02 0.03 -0.01 0.02 -0.03 -0.05 -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 -0.01 -0.02 0.01 -0.07 0.18 0.01 0.07 -0.08 -0.07 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.07 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.05 -0.08 0.04 -0.01 -0.01 0.00 -0.02 -0.00 0.03 0.04 0.16 0.02 -0.00 -0.02 -0.05 0.11 -0.19 0.01 -0.00 -0.04 -0.01 0.09 -0.08 -0.00 0.00 0.00 0.01 -0.02 -0.02 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.02 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.01 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 -0.01 0.03 0.12 -0.02 -0.01 0.02 0.01 -0.01 -0.02 -0.07 0.24 0.07 0.34 0.21 -0.03 0.73 -0.00 -0.00 -0.01 -0.00 -0.01 0.04 0.01 0.03 0.05 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.07 0.05 0.41 -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 0.02 0.01 -0.01 0.02 -0.02 0.11 -0.11 0.05 0.01 -0.03 0.06 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.01 0.03 -0.00 -0.02 0.01 0.01 -0.02 0.00 -0.01 0.02 0.00 -0.03 0.04 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.04 -0.02 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 0.03 -0.05 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 0.00 0.01 -0.00 0.01 0.01 -0.03 -0.01 0.01 -0.01 0.02 -0.07 -0.02 0.17 -0.07 -0.02 -0.24 0.82 0.05 -0.01 0.00 -0.00 0.04 0.04 -0.03 0.04 -0.05 0.02 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.07 -0.08 0.07 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 -0.01 -0.01 0.01 0.01 0.01 0.02 0.03 -0.29 -0.06 -0.13 0.08 0.11 -0.23 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.04 0.01 -0.01 -0.00 -0.02 0.02 -0.03 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.03 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.17 -0.04 0.00 -0.00 0.01 0.18 -0.05 0.06 -0.00 0.00 0.00 0.02 -0.00 -0.01 0.00 0.00 0.00 -0.03 -0.06 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 0.04 -0.02 -0.01 -0.02 0.06 -0.02 0.05 -0.01 -0.02 -0.46 -0.29 0.30 -0.41 0.48 0.18 0.00 0.00 0.00 -0.02 -0.01 0.01 0.02 -0.04 -0.04 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.02 0.01 0.00 0.04 0.01 0.00 0.00 0.00 -0.04 -0.01 -0.02 0.02 0.00 -0.04 -0.01 0.02 0.01 0.05 -0.05 -0.16 0.05 -0.20 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -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 -0.08 -0.08 0.04 -0.05 -0.04 0.00 0.00 0.00 -0.01 -0.03 -0.03 -0.04 0.04 -0.00 0.04 -0.51 -0.12 -0.01 0.01 -0.03 0.57 -0.17 0.18 -0.01 0.01 0.00 0.09 -0.06 0.04 -0.00 0.01 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.01 -0.01 0.01 0.01 0.03 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.02 0.00 -0.02 0.00 0.01 0.18 0.12 -0.12 0.16 -0.19 -0.07 -0.00 -0.00 -0.00 0.02 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.02 -0.00 0.01 0.02 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.02 0.01 -0.03 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.02 0.01 0.07 -0.07 -0.22 0.09 -0.30 0.04 -0.00 0.00 0.00 0.00 0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.03 0.04 -0.01 -0.02 0.00 0.05 -0.01 0.01 0.01 -0.01 0.02 -0.00 0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -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 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.07 -0.01 0.00 0.62 -0.10 0.33 0.47 0.34 -0.40 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.03 0.03 0.02 0.04 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.00 -0.02 0.02 -0.00 0.00 -0.00 0.00 0.04 0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.03 0.10 0.30 0.22 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.09 -0.14 0.29 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.03 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.04 -0.04 -0.11 0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.02 0.05 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.02 0.01 0.00 0.01 -0.08 -0.04 0.02 -0.00 -0.02 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.05 -0.02 -0.07 -0.44 0.46 0.25 -0.44 -0.18 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.03 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.03 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.11 0.07 0.01 -0.01 -0.01 -0.01 -0.02 -0.04 0.08 0.43 0.36 -0.00 0.00 -0.00 0.00 -0.04 -0.01 0.16 -0.18 0.35 0.05 -0.02 0.02 0.01 -0.01 -0.01 -0.12 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.11 -0.10 -0.27 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.02 0.05 0.00 -0.00 0.00 0.00 0.03 0.02 -0.02 0.02 -0.04 -0.01 0.02 0.01 0.01 -0.21 -0.10 0.05 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.02 0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.03 0.01 0.04 0.27 -0.30 -0.16 0.27 0.11 0.00 -0.00 -0.00 0.01 0.03 0.02 -0.01 0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.03 0.01 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.02 -0.04 -0.08 0.01 -0.02 0.01 -0.01 0.04 -0.05 0.07 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.03 -0.01 0.01 -0.12 0.13 0.13 -0.00 -0.00 -0.01 0.02 0.11 0.09 -0.02 0.02 -0.00 0.02 -0.21 -0.05 0.04 -0.05 0.09 0.24 -0.08 0.07 -0.00 -0.00 -0.00 0.03 -0.02 0.01 0.00 -0.01 -0.01 0.10 0.08 0.06 -0.00 0.00 0.00 0.02 -0.03 -0.02 0.11 0.08 0.26 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.02 -0.01 0.01 -0.00 -0.00 -0.06 -0.04 0.05 -0.05 0.06 0.02 -0.02 -0.01 -0.01 0.19 0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.03 -0.03 -0.02 0.04 0.01 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.01 0.00 0.01 0.01 -0.04 -0.02 -0.08 0.14 0.38 -0.12 0.48 -0.06 -0.00 -0.00 -0.00 0.05 0.05 0.04 0.04 -0.01 -0.01 -0.02 -0.01 -0.02 0.07 0.22 0.19 -0.04 -0.06 0.00 0.31 -0.04 0.08 0.03 -0.04 0.05 -0.00 0.01 -0.02 -0.00 -0.02 0.01 -0.00 0.00 0.00 -0.04 -0.00 0.01 -0.00 -0.00 -0.01 0.01 0.05 0.04 0.00 -0.00 0.00 -0.00 0.02 0.00 0.02 -0.02 0.05 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 -0.01 -0.09 -0.02 0.04 0.03 0.05 0.08 0.00 -0.01 0.00 -0.04 0.03 -0.02 -0.01 -0.01 0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.07 0.03 -0.02 0.01 0.05 -0.02 0.00 -0.00 -0.00 -0.03 0.00 -0.02 -0.02 -0.01 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 0.01 -0.02 -0.05 0.01 -0.07 0.00 -0.06 -0.02 -0.01 0.41 0.47 0.33 0.54 -0.14 -0.14 0.01 0.00 0.00 -0.02 -0.05 -0.04 0.10 0.18 -0.01 -0.08 0.01 -0.02 -0.08 0.10 -0.14 0.02 0.02 0.12 -0.00 -0.03 0.02 -0.03 0.03 0.04 0.05 -0.04 -0.05 -0.01 -0.01 -0.02 0.05 0.23 0.18 0.00 -0.01 -0.00 -0.01 0.07 0.01 0.08 -0.10 0.19 -0.07 0.02 -0.02 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.04 -0.03 -0.02 0.00 0.00 0.00 -0.02 0.00 0.01 0.17 0.18 0.43 -0.00 0.00 0.00 0.02 -0.02 -0.01 0.01 0.02 -0.02 -0.00 0.00 0.00 0.01 0.01 -0.01 0.01 -0.02 -0.00 -0.03 -0.02 -0.02 0.33 0.16 -0.08 -0.01 -0.02 0.01 -0.00 -0.00 0.00 0.02 -0.01 0.01 0.03 0.03 -0.01 0.00 -0.00 0.00 0.01 0.04 -0.05 -0.02 0.04 0.02 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.01 0.01 0.03 -0.05 -0.14 0.05 -0.18 0.02 0.02 0.01 0.00 -0.14 -0.16 -0.11 -0.17 0.04 0.05 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.18 0.34 -0.01 -0.01 -0.01 0.00 -0.17 0.20 -0.27 0.00 -0.01 -0.01 -0.00 -0.04 0.02 0.02 -0.02 -0.04 -0.08 0.09 0.09 0.00 0.00 0.00 -0.01 -0.04 -0.03 -0.01 0.01 -0.00 0.01 -0.18 -0.04 -0.01 0.02 -0.04 0.21 -0.06 0.06 0.00 0.00 0.00 0.01 -0.02 0.01 0.00 -0.01 -0.01 0.07 0.06 0.04 0.01 0.00 -0.01 -0.12 0.03 0.07 -0.12 -0.06 -0.25 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.02 -0.03 0.01 0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.02 0.00 0.02 0.01 0.01 -0.18 -0.08 0.05 0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.00 0.01 -0.01 -0.02 0.01 -0.02 -0.01 -0.05 0.08 0.23 -0.09 0.28 -0.04 0.01 0.00 0.00 -0.07 -0.08 -0.06 -0.11 0.03 0.03 0.02 0.01 0.01 -0.06 -0.20 -0.17 0.22 0.39 -0.02 -0.26 0.04 -0.07 -0.19 0.22 -0.30 0.02 -0.02 0.11 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.39 0.41 0.48 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.05 0.01 0.00 -0.00 0.01 -0.06 0.02 -0.01 -0.00 0.00 0.00 0.02 -0.01 0.01 -0.00 -0.04 -0.04 0.38 0.27 0.29 0.00 0.00 -0.00 -0.06 0.00 0.03 0.01 0.01 0.02 0.00 -0.00 0.00 -0.03 0.02 -0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 0.01 0.00 -0.03 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.03 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 0.02 0.01 0.04 -0.07 -0.18 0.05 -0.25 0.02 0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.08 0.02 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.04 0.00 -0.01 0.00 -0.00 0.02 -0.03 0.03 0.01 -0.00 0.06 -0.00 -0.02 0.01 -0.01 0.05 0.05 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.06 -0.05 0.01 -0.01 0.00 -0.00 0.07 0.01 -0.02 0.02 -0.05 -0.09 0.02 -0.02 0.01 -0.00 0.00 -0.09 0.04 -0.03 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.01 0.02 -0.04 -0.03 -0.10 -0.13 -0.26 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 0.02 0.01 -0.02 0.02 -0.02 -0.01 0.01 0.01 0.01 -0.19 -0.10 0.05 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.03 -0.00 0.01 -0.01 -0.01 -0.00 0.01 0.00 0.03 -0.03 -0.08 0.05 -0.10 0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.04 -0.02 -0.03 0.12 0.39 0.33 0.15 0.28 -0.01 0.55 -0.06 0.12 -0.13 0.15 -0.21 -0.01 -0.00 -0.04 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.06 0.05 0.07 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.05 0.03 0.03 -0.03 -0.00 0.05 0.68 -0.07 -0.33 -0.01 0.00 -0.02 -0.00 0.00 -0.00 0.01 -0.02 0.02 0.07 0.01 -0.03 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 0.01 0.01 0.03 0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 0.02 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.02 -0.00 -0.01 -0.00 -0.00 0.05 0.05 0.07 0.05 -0.01 -0.02 0.00 0.01 0.01 -0.03 -0.08 -0.12 0.05 0.09 -0.00 -0.08 0.00 0.01 -0.05 0.05 -0.06 -0.12 0.06 -0.57 -0.00 -0.00 0.00 0.16 -0.43 -0.49 0.02 -0.02 -0.02 -0.00 -0.00 -0.01 0.00 0.10 0.08 0.01 -0.00 0.00 -0.01 0.08 0.03 0.03 -0.04 0.07 -0.12 0.05 -0.06 -0.04 0.04 0.01 0.51 -0.37 0.25 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.04 -0.01 -0.07 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.03 0.02 -0.02 -0.00 0.00 -0.00 -0.01 -0.00 0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 -0.02 0.01 0.00 0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 -0.03 -0.01 0.03 0.01 -0.00 -0.00 -0.00 0.01 0.02 0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.05 0.03 0.01 0.02 0.00 0.06 -0.01 0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.03 -0.04 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.02 -0.03 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.03 0.00 0.00 -0.02 0.01 -0.02 0.01 -0.02 -0.00 0.05 -0.02 -0.02 -0.13 0.35 -0.05 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.03 -0.04 0.39 0.42 0.40 -0.24 0.04 0.54 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.05 0.06 -0.03 0.00 -0.00 -0.00 -0.03 0.01 0.02 0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.02 -0.03 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.00 0.00 0.01 -0.03 -0.01 -0.00 0.01 0.00 0.03 -0.06 0.00 -0.58 0.34 -0.07 -0.03 0.12 0.28 -0.00 -0.01 0.00 0.03 0.01 0.03 -0.07 0.03 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.11 0.61 -0.20 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 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 0.00 0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.06 -0.02 -0.03 0.01 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 -0.01 0.00 -0.01 0.01 0.06 -0.06 0.00 -0.00 -0.00 -0.01 0.02 0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.01 0.03 -0.00 -0.00 0.00 -0.03 -0.01 0.01 0.08 -0.22 -0.15 0.80 0.24 -0.21 -0.00 -0.00 -0.00 0.03 0.01 0.01 -0.02 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.33 0.11 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.02 0.14 0.05 0.08 -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 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.02 0.00 -0.02 0.04 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.02 -0.18 0.05 -0.37 -0.03 -0.01 0.02 -0.06 -0.03 0.02 0.39 0.58 -0.35 0.03 -0.03 -0.02 -0.00 0.00 0.00 0.04 -0.04 -0.01 0.04 0.03 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.42 -0.05 0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -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 0.02 0.00 -0.00 -0.00 -0.03 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.03 -0.03 -0.01 -0.00 -0.00 0.05 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.03 -0.03 0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.04 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.02 0.17 -0.04 0.33 -0.01 -0.01 0.01 -0.04 0.02 -0.02 -0.15 -0.22 0.12 -0.03 0.11 0.04 -0.01 -0.00 0.01 0.05 -0.06 -0.01 0.07 0.07 -0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.83 -0.10 0.10 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 0.02 -0.05 -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.03 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.01 -0.01 0.01 -0.02 0.00 0.02 0.02 0.00 0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.09 -0.04 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.03 0.01 -0.05 0.38 -0.07 0.71 0.03 0.01 -0.02 -0.00 -0.02 0.02 0.26 0.39 -0.23 0.02 -0.05 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.19 0.02 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.01 0.05 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.04 0.01 -0.00 -0.00 -0.10 0.05 0.04 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.06 -0.01 0.02 -0.01 0.00 -0.01 0.01 0.05 0.04 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.01 0.01 0.00 -0.00 0.00 -0.02 0.05 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.13 0.05 -0.08 -0.00 0.01 -0.00 -0.04 -0.06 0.04 0.01 -0.05 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.02 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.02 0.06 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.04 0.01 -0.05 -0.55 -0.20 0.76 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.06 -0.04 0.08 -0.00 -0.00 -0.00 -0.03 -0.04 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.04 0.02 -0.03 0.81 0.35 0.32 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 0.01 0.03 0.01 0.00 -0.00 -0.00 0.00 0.03 0.05 -0.05 -0.02 -0.02 -0.07 0.03 0.04 -0.00 0.00 -0.01 0.06 -0.01 0.11 -0.09 -0.04 0.06 -0.01 -0.00 0.00 0.03 0.05 -0.03 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.05 0.09 0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.06 -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 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.03 0.01 0.18 -0.01 0.00 0.00 0.09 -0.03 -0.03 0.02 0.01 0.01 0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.01 0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.00 0.00 -0.00 0.22 -0.10 0.17 0.11 0.05 0.04 0.00 -0.00 0.00 -0.02 0.04 -0.05 -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 -0.00 0.01 -0.10 -0.19 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.70 0.29 -0.42 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 0.03 -0.05 -0.01 0.08 0.10 -0.07 -0.05 -0.02 0.02 -0.00 0.01 0.08 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.10 0.04 -0.14 -0.03 -0.03 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.03 0.01 -0.00 0.05 -0.02 0.06 -0.01 0.09 0.07 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.14 -0.07 0.12 0.02 0.01 0.01 -0.01 0.02 -0.03 0.19 -0.39 0.42 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.06 0.02 -0.00 -0.02 -0.01 -0.01 0.01 0.01 0.00 -0.16 -0.27 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.15 -0.06 0.09 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.02 -0.02 0.02 0.05 -0.11 -0.01 0.35 0.43 -0.29 0.01 0.00 -0.00 0.00 -0.00 -0.02 -0.06 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 -0.07 0.10 0.07 0.00 0.02 -0.02 -0.00 -0.00 -0.00 -0.03 -0.01 0.04 0.08 0.06 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -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 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.45 -0.22 0.35 0.04 0.02 0.02 -0.01 0.02 -0.02 0.13 -0.29 0.31 0.00 0.01 0.00 0.03 -0.01 0.01 0.00 0.04 0.02 -0.02 -0.12 -0.04 -0.03 0.01 -0.03 -0.01 0.07 0.10 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.02 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.02 0.01 -0.02 -0.08 0.17 0.02 -0.30 -0.39 0.25 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.03 -0.01 0.04 0.10 0.07 0.04 -0.00 0.00 0.01 0.00 -0.02 0.01 0.03 -0.01 -0.15 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.15 0.07 -0.11 -0.10 -0.04 -0.03 -0.01 0.01 -0.01 0.08 -0.18 0.19 -0.00 -0.01 -0.00 -0.02 -0.00 -0.01 0.00 0.03 0.01 0.03 0.16 0.06 0.01 0.00 0.02 0.01 -0.12 -0.20 0.01 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.02 0.05 0.02 -0.03 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.03 -0.01 0.11 -0.21 -0.03 -0.19 -0.24 0.16 -0.00 -0.00 0.00 0.00 0.00 0.01 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.02 0.08 0.06 0.03 0.01 -0.01 -0.04 -0.01 0.08 -0.05 -0.12 0.03 0.74 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.08 0.03 -0.00 -0.01 0.00 -0.01 0.00 0.02 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.47 -0.22 0.37 -0.09 -0.04 -0.03 0.01 -0.01 0.02 -0.12 0.28 -0.28 -0.00 0.00 -0.00 0.02 -0.01 0.01 -0.00 -0.06 -0.02 -0.00 -0.04 -0.01 -0.03 0.01 -0.03 -0.02 0.09 0.13 0.01 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.02 -0.21 -0.08 0.13 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 0.00 -0.01 -0.00 0.01 0.04 -0.09 -0.01 0.12 0.15 -0.10 0.01 0.01 -0.01 0.00 -0.01 -0.03 -0.08 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 0.02 -0.01 -0.02 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.10 -0.07 -0.04 0.00 -0.00 -0.03 -0.01 0.05 -0.03 -0.07 0.01 0.46 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.09 0.03 0.00 -0.02 0.01 -0.02 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.11 0.05 -0.10 -0.10 -0.04 -0.03 -0.01 0.01 -0.01 0.09 -0.20 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.02 -0.00 -0.01 -0.00 0.01 -0.03 -0.04 -0.01 0.39 0.68 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.02 0.19 0.07 -0.12 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 -0.10 0.20 0.03 0.14 0.18 -0.11 -0.01 -0.01 0.01 0.00 0.01 0.04 -0.06 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 -0.03 0.04 0.03 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.05 0.03 0.02 0.00 -0.00 -0.01 -0.01 0.03 -0.02 -0.04 0.01 0.24 -0.00 0.00 0.00 0.05 -0.03 -0.03 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.03 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.02 -0.01 0.01 0.04 0.02 0.02 0.00 -0.01 0.01 -0.05 0.13 -0.12 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.05 -0.02 -0.00 -0.00 -0.00 -0.00 0.03 0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.02 0.01 0.01 -0.03 -0.02 -0.01 0.00 0.00 0.06 -0.13 -0.01 0.04 0.06 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.13 -0.16 -0.14 -0.01 -0.01 0.03 -0.04 -0.03 -0.02 -0.01 -0.01 -0.00 0.70 0.50 0.26 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.04 0.01 -0.00 -0.00 -0.11 0.06 0.06 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.10 0.05 -0.11 -0.00 0.06 0.04 0.03 0.04 0.01 -0.02 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.10 -0.04 -0.04 0.00 -0.00 0.00 -0.01 0.03 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.08 0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.03 -0.01 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.05 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.04 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.09 0.07 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.05 0.02 0.02 0.73 -0.43 -0.38 0.03 0.11 0.08 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.09 0.04 -0.10 -0.01 0.09 0.07 0.00 0.00 0.00 0.18 -0.02 -0.04 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.11 -0.04 -0.04 0.00 -0.00 0.00 -0.03 0.07 -0.07 -0.00 -0.01 -0.00 -0.02 -0.00 -0.01 0.00 -0.01 -0.00 0.02 0.10 0.04 -0.00 0.01 0.02 0.01 -0.16 -0.28 0.01 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.02 -0.05 -0.00 -0.38 0.78 0.09 0.05 0.04 -0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.08 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.03 0.02 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.02 0.13 0.09 0.05 0.00 -0.00 -0.01 -0.01 0.03 -0.02 -0.03 0.01 0.19 0.00 -0.00 -0.00 -0.07 0.04 0.03 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 0.00 0.03 -0.02 0.04 0.01 -0.07 -0.05 -0.00 -0.00 -0.00 -0.02 0.00 0.00 0.02 -0.01 0.02 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.05 0.02 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.05 0.01 -0.09 -0.03 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.04 0.09 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.03 0.03 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.04 -0.02 0.06 -0.12 -0.08 -0.04 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.05 0.01 -0.00 -0.00 -0.12 0.07 0.06 -0.00 -0.02 -0.01 -0.01 -0.03 -0.03 0.26 -0.11 -0.00 -0.36 0.16 -0.40 -0.05 0.59 0.41 0.06 0.06 0.03 0.03 0.00 -0.00 -0.01 0.00 -0.01 0.12 -0.06 0.09 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.05 -0.02 -0.13 -0.02 -0.05 0.00 0.00 0.00 0.18 0.80 0.29 -0.01 0.00 -0.01 -0.00 0.05 0.08 -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 0.00 -0.00 0.00 -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 -0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.02 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.02 0.04 0.03 0.02 -0.00 0.00 0.01 0.00 -0.00 0.01 0.02 0.00 -0.10 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.02 0.01 0.00 0.34 -0.12 0.01 0.11 -0.05 0.13 -0.00 -0.02 -0.02 -0.03 -0.03 -0.01 0.03 -0.00 -0.01 -0.02 0.02 -0.03 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.04 0.01 0.02 0.00 0.00 0.00 -0.05 -0.23 -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 -0.03 -0.11 -0.04 0.07 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 0.01 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 -0.05 -0.05 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.04 0.02 -0.05 0.05 0.04 0.02 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.09 -0.00 0.00 0.00 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.02 -0.02 -0.02 0.28 -0.11 -0.00 0.45 -0.20 0.51 -0.04 0.41 0.28 -0.13 -0.14 -0.05 0.06 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.01 -0.04 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -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 0.04 -0.08 -0.01 -0.05 -0.07 0.04 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 0.03 -0.04 -0.02 -0.49 0.58 0.53 0.05 0.07 -0.16 -0.01 -0.01 -0.00 0.01 0.00 -0.02 0.19 0.13 0.07 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.02 0.00 0.03 -0.01 0.03 -0.00 0.02 0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 0.06 0.01 0.02 -0.00 -0.00 -0.00 -0.07 -0.27 -0.10 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 -0.00 -0.02 0.06 0.03 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.01 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 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.02 -0.02 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.02 0.00 -0.02 0.00 0.15 -0.00 0.00 0.00 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.05 0.04 0.01 0.77 -0.27 0.02 -0.10 0.04 -0.11 0.01 -0.33 -0.23 0.06 0.07 0.02 0.02 -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 -0.01 -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 -0.06 0.00 0.01 -0.02 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.03 -0.05 0.03 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.03 -0.04 0.04 -0.02 0.04 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.14 0.09 0.08 -0.01 -0.04 -0.03 0.00 0.00 0.00 -0.05 0.02 0.00 -0.02 0.01 -0.03 0.01 -0.06 -0.04 -0.08 -0.10 -0.03 0.94 -0.07 -0.16 -0.04 -0.04 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 0.01 -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 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.09 0.12 -0.15 0.15 -0.06 0.14 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.00 0.12 -0.08 0.15 -0.00 0.05 0.03 0.57 0.69 0.19 0.11 -0.01 -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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.05 0.01 -0.00 -0.27 -0.36 0.49 -0.47 0.20 -0.45 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.02 0.04 -0.00 0.01 0.01 0.17 0.21 0.06 0.12 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.01 0.02 0.40 -0.22 -0.28 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.05 0.02 -0.16 0.75 -0.33 0.02 -0.02 -0.06 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.01 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 0.02 0.03 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.00 -0.01 -0.00 -0.03 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.02 0.03 0.63 -0.34 -0.44 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.03 -0.02 0.10 -0.48 0.21 -0.02 0.02 0.07 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.06 -0.02 -0.03 0.04 -0.07 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.08 0.88 0.37 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.02 -0.01 -0.01 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 0.02 -0.02 -0.06 -0.25 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.02 0.04 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 -0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 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 -0.00 -0.01 0.02 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.23 0.10 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.03 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.06 0.09 0.23 0.93 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 0.01 -0.02 0.00 -0.03 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.04 -0.06 -0.32 -0.38 0.50 0.51 -0.19 0.44 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.06 -0.01 -0.02 0.93 0.03 0.33 0.00 0.00 0.00 0.01 0.15 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.04 0.02 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.03 0.02 0.00 -0.00 -0.00 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.05 -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 0.00 0.00 -0.00 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 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.02 -0.06 -0.09 0.12 0.08 -0.23 -0.44 0.84 -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 0.01 0.00 0.01 -0.00 -0.00 -0.03 -0.08 -0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.03 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.02 -0.05 0.09 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.05 -0.04 -0.11 0.04 0.04 0.30 0.76 0.54 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 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 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 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 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 1.00783 271.16630 6578.89545 6993.05359 8459.89063 0.99967 0.0258 -0.00175 -0.02579 0.99964 0.00694 0.00193 -0.0069 0.99997 asymmetric 1 0.01317 0.01239 0.01024 0.27432 0.25808 0.21333 1029707.5 50.48 52.54 59.30 68.63 74.59 79.06 86.99 89.87 99.81 100.96 104.42 104.88 110.00 119.98 130.21 133.52 138.81 161.90 189.02 215.01 229.10 237.13 251.20 257.42 268.07 283.52 291.61 293.68 312.49 315.31 331.77 344.02 362.93 378.36 402.90 410.44 417.05 428.24 449.06 459.43 464.64 480.18 504.12 517.39 532.63 536.03 560.95 581.28 613.58 655.32 660.05 665.20 682.03 684.68 721.30 789.22 818.46 859.57 868.15 884.09 915.38 925.17 962.77 978.64 986.04 1017.66 1026.61 1027.46 1059.83 1110.29 1120.18 1144.45 1155.93 1180.88 1245.66 1262.51 1295.65 1297.66 1340.05 1374.89 1421.68 1451.28 1506.87 1554.43 1960.25 2146.95 2335.42 2348.98 2356.10 2359.34 2367.44 2381.31 2384.30 2388.79 2396.88 2427.57 2436.28 2476.80 2483.34 2505.57 2606.90 2649.61 4230.41 4441.40 4498.10 4672.71 4740.95 4800.06 4863.83 4905.33 4968.26 5013.15 5081.51 5107.88 5124.23 5145.57 5147.34 5174.51 5199.70 5227.09 5270.10 5287.85 5395.37 5457.19 5547.08 5551.79 5555.09 5559.86 5580.78 5595.64 5600.07 5601.47 0.392195 0.428350 0.429294 0.324773 -1147.162042 -1147.125887 -1147.124943 -1147.229464 268.793 124.019 219.983 0.000 0.000 0.000 0.889 2.981 42.692 0.889 2.981 34.320 267.016 118.057 142.972 1 0.594 1.982 5.519 2 0.594 1.982 5.440 3 0.594 1.981 5.200 4 0.595 1.978 4.910 5 0.596 1.977 4.746 6 0.596 1.976 4.631 7 0.597 1.973 4.442 8 0.597 1.972 4.378 9 0.598 1.969 4.171 10 0.598 1.968 4.149 11 0.599 1.967 4.082 12 0.599 1.967 4.074 13 0.599 1.965 3.980 14 0.600 1.961 3.810 15 0.602 1.956 3.649 16 0.602 1.954 3.600 17 0.603 1.952 3.524 18 0.607 1.939 3.225 19 0.612 1.922 2.926 20 0.618 1.903 2.679 21 0.621 1.892 2.559 22 0.623 1.886 2.494 23 0.627 1.874 2.385 24 0.629 1.868 2.340 25 0.632 1.859 2.264 26 0.636 1.844 2.160 27 0.639 1.836 2.109 28 0.640 1.834 2.096 29 0.646 1.815 1.982 30 0.647 1.812 1.966 31 0.652 1.794 1.874 32 0.657 1.781 1.810 33 0.664 1.759 1.715 34 0.670 1.741 1.642 35 0.680 1.711 1.533 36 0.683 1.701 1.502 37 0.686 1.693 1.475 38 0.691 1.678 1.430 39 0.700 1.651 1.351 40 0.705 1.637 1.314 41 0.708 1.630 1.295 42 0.715 1.608 1.242 43 0.727 1.574 1.164 44 0.734 1.555 1.124 45 0.742 1.533 1.079 46 0.744 1.528 1.069 47 0.758 1.492 1.001 48 0.769 1.461 0.948 49 0.788 1.413 0.870 50 0.814 1.349 0.779 51 0.817 1.342 0.770 52 0.820 1.334 0.759 53 0.831 1.308 0.726 54 0.833 1.304 0.721 55 0.857 1.247 0.655 56 0.904 1.143 0.547 57 0.925 1.099 0.506 58 0.955 1.037 0.454 59 0.962 1.025 0.444 60 0.974 1.001 0.425 0.102811e+32 31.012039 71.407858 0.829456e+16 15.918793 36.654376 0.100000e+01 0.000000 0.000000 0.175512e+09 8.244307 18.983219 0.706217e+07 6.848938 15.770262 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.8513 -3.1457 0.1561 3.2626 -36.2985 -51.3585 -72.8178 6.5430 -0.9276 6.0881 17.1931 2.1331 -19.3262 6.5430 -0.9276 6.0881 -136.7334 -5.2812 19.7183 83.6259 -98.2551 10.2650 48.1280 -9.1346 -39.6177 -18.8767 -1229.4711 -1619.6812 -1370.7142 169.4839 101.1434 69.2075 117.5310 -74.8840 41.4845 -705.1094 -499.3412 -442.7040 -65.7546 -24.2153 41.0217 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.5542367 1.768E-9 8.727E-6 0.3921949 0.4283497 -1147.125887 -1147.1249429 -1147.2294641 11.3067063,-15.4701027,4.1633963,-0.0964006,-5.8538208,2.0699523 C01 [X(H31O15)] -0.7012927 -0.5372004 -0.9312564 -0.7786798 0.0015684 0.1805783 0.028022 -0.783889 0.0646024 0.1489134 0.0517466 -0.7636484 0.2939645 -0.0754281 -0.0693763 -0.0538763 0.6750481 0.3392457 -0.0433272 0.3002673 0.4803799 0.7840296 -0.1604025 -0.2630259 -0.1545363 0.3219016 0.1081872 -0.2934022 0.1178352 0.3903911 -0.7538087 -0.1263085 0.0620729 -0.172969 -0.7371171 -0.0925156 0.0547867 -0.063244 -0.7778056 0.3805807 0.2320932 0.1087178 0.2437065 0.5931103 0.2204565 0.1231336 0.2367425 0.4109348 -0.7619926 0.0600082 -0.0556817 0.0498287 -0.7988951 -0.0781186 -0.0894233 -0.0305814 -0.5845846 0.318167 -0.0268362 -0.0178258 -0.000755 0.3248777 -0.0496311 0.0302974 -0.0802957 0.22325 0.2983612 0.0327604 -0.016687 0.073031 0.2707455 0.034938 -0.0065321 0.006388 0.3134216 0.680368 -0.0842329 0.1262342 -0.0749926 0.3072249 -0.0397794 0.1347729 -0.0602116 0.2772824 -0.7455032 -0.0367883 0.0294793 -0.0810311 -1.0875736 -0.0525704 0.0294649 -0.0478866 -0.8468169 0.3577506 -0.1389421 0.1362009 -0.1401577 0.5349877 -0.2126702 0.1149396 -0.2028085 0.3761641 -0.869304 0.0125975 0.0534485 0.0260091 -0.8135099 -0.1073445 0.0313883 -0.074439 -0.6899382 0.2777618 0.0320756 -0.0573269 0.0243972 0.2930141 0.037438 -0.0058969 0.0152687 0.295185 -0.9222491 0.0168548 0.0376081 -0.0006187 -0.9673043 -0.0933172 0.0351988 -0.0558185 -0.9086565 0.4354371 -0.3447077 -0.039275 -0.3485034 0.8894903 0.1528463 -0.0465148 0.1525396 0.2716762 0.420824 0.2045973 -0.234157 0.2181315 0.4052757 -0.2224059 -0.2490185 -0.2137466 0.5984493 -1.0950411 -0.1449758 -0.1453307 -0.1460174 -0.6190292 -0.0808774 -0.0974812 -0.0746291 -1.1465745 0.8485444 0.4191584 0.0106985 0.4600375 0.6167053 -0.0092731 -0.0306851 -0.0406628 0.2362767 0.6900843 -0.0014604 0.6765926 -0.0334937 0.2879634 -0.0284365 0.669324 0.0170024 1.2257067 -1.0228919 -0.0783246 -0.0600023 -0.0585998 -0.8538114 -0.1356964 -0.0892379 -0.0727367 -0.871194 0.4683189 0.1119928 0.2768606 0.1195327 0.3433238 0.1701827 0.2644192 0.1499172 0.5366726 0.7383344 0.327311 0.0683242 0.3196161 0.5053606 0.0346742 0.0985328 0.056398 0.2407876 -0.7061412 -0.1058009 0.0756389 -0.0900004 -0.6889815 0.0233082 0.0534274 0.0376638 -0.9095469 0.2317765 0.0627225 -0.0025831 0.0195386 0.301289 -0.0079466 0.0212007 -0.0254434 0.3254558 0.5638412 -0.1653301 -0.4030193 -0.1817631 0.35442 0.195395 -0.3935235 0.1783447 0.740266 -0.6629681 0.0227882 -0.0348893 0.0310349 -0.4897421 0.0187357 -0.0266881 0.0151553 -0.6928435 0.2928177 -0.0132362 0.0331741 0.0046184 0.302307 -0.0115206 0.040127 0.0040048 0.3027147 0.2947004 0.0054427 0.0420952 -0.0165324 0.3064004 0.0078512 0.0408306 -0.0109284 0.2974187 -0.7931333 -0.079363 0.0154089 -0.0776106 -0.6189759 0.0849397 0.0397432 0.1287934 -0.7104712 0.2942229 -0.0207364 -0.0064066 -0.0185728 0.3657863 -0.1917329 -0.0412356 -0.2069544 0.5609245 0.3172449 -0.0417022 -0.0385928 -0.0362313 0.2627605 -0.0096247 -0.0750337 -0.0569981 0.3100607 -0.9958124 -0.1413948 -0.1338659 -0.1375673 -0.6831241 0.0968738 -0.1147648 0.0706065 -1.0476195 0.4509085 0.3050513 -0.2021345 0.3195257 0.6541793 -0.2247239 -0.1867355 -0.1988722 0.4622032 0.7201264 -0.0492836 -0.1331618 -0.0581887 0.2914651 0.080493 -0.1514805 0.070578 0.3119568 -0.7258728 0.1168864 0.0873121 0.1149221 -0.8045833 0.0343414 0.0776101 0.0689017 -0.692829 0.2855019 -0.0143142 -0.0454346 0.0089866 0.3235601 0.0349841 -0.0522414 -0.0076676 0.2527709 0.2601992 -0.070906 -0.0155583 -0.0994211 0.7747785 -0.1633138 0.0048672 -0.1708061 0.3088437 -0.6777011 0.0327153 0.0312689 0.0500949 -0.6560635 0.0033646 -0.0246026 0.0181871 -0.885157 0.2463018 0.0080369 0.1289546 -0.0009256 0.3122922 -0.0935522 0.1565481 -0.0932127 0.7906817 0.2385903 0.0316756 0.0272849 0.0197079 0.355809 -0.0033562 0.0685889 -0.0164286 0.2964634 -0.6978161 0.0713193 -0.0409375 0.0979478 -0.8634661 -0.0631727 -0.0333138 -0.0759248 -0.8689151 0.2852652 0.0261274 -0.1066127 0.0236299 0.288504 0.0754533 -0.140051 0.110058 0.6565745 0.3350602 -0.1977028 -0.1288022 -0.1838396 0.4835381 0.1594637 -0.1155808 0.1365022 0.439133 0.4725372 0.0289317 0.2291651 0.0227135 0.2703367 -0.0354941 0.2471787 -0.0501946 0.5051764 0.5537127 -0.0450047 -0.0280532 -0.084665 0.2212701 -0.0107549 -0.0242208 -0.0150398 0.3422105 0.3735823 0.0004673 -0.158378 -0.0241639 0.2283407 0.0400542 -0.1543021 0.0026303 0.6171687 133.5038186|0.8703224|124.4555315|-0.2765281|1.7018919|133.3982473 -0.000004271 -0.000018953 0.000008149 0.000009869 -0.000022332 0.000007143 0.000004919 0.000013351 0.000000188 0.000004332 0.000007184 -0.000010043 -0.000006628 -0.000008361 0.000008775 0.000013190 0.000009246 0.000000054 -0.000002015 -0.000002014 -0.000002810 0.000001268 0.000000384 0.000000234 -0.000016409 0.000008575 0.000003580 -0.000009651 0.000009759 -0.000008364 -0.000005968 0.000008144 -0.000005193 -0.000008699 -0.000018296 0.000007498 0.000001411 0.000005910 -0.000000526 -0.000001576 0.000008832 -0.000001419 -0.000007379 -0.000002786 -0.000007217 0.000001065 0.000001273 0.000000380 -0.000012252 0.000005222 0.000010789 -0.000003677 -0.000001697 -0.000000070 -0.000000480 -0.000001627 -0.000005366 0.000015295 -0.000004980 0.000031911 -0.000008649 -0.000010127 -0.000007666 -0.000015449 0.000008292 -0.000018013 0.000012720 0.000001058 -0.000018219 -0.000007771 0.000002409 0.000010120 0.000012953 -0.000009353 -0.000016151 -0.000006777 -0.000008148 0.000001252 -0.000005417 0.000003572 0.000002575 0.000002918 0.000001032 0.000002812 0.000005517 0.000003365 0.000016894 0.000000093 -0.000000699 -0.000006527 -0.000002070 -0.000003091 -0.000004799 0.000000967 0.000001673 0.000014069 0.000007827 0.000019709 -0.000014431 0.000000077 -0.000002385 -0.000000884 0.000000566 0.000007991 -0.000001120 -0.000001454 -0.000002356 0.000003522 0.000012442 -0.000001730 -0.000010262 0.000010008 -0.000001071 -0.000009409 -0.000007095 -0.000001158 0.000021100 -0.000003550 -0.000002541 0.000000436 0.000002815 0.000012931 -0.000004192 0.000006335 -0.000012940 0.000003511 -0.000001108 -0.000001118 0.000009019 -0.000007690 -0.000005195 -0.000003735 0.000003776 0.000007293 -0.000004044 0.000015672 -0.000004250 -0.000003550 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5441,-.0223,3.4402;2.386,-1.5735,-.4537;-1.5842,.346,-3.1729;3.237,1.293,1.3702;3.0598,.3985,.9978;2.2395,-2.9155,-1.5473;2.881,-3.3364,-2.1269;4.0182,1.2241,1.93;1.3831,-2.8968,-2.0151;2.1111,-.8327,.1348;1.603,-.2369,-.4568;-.6995,.038,-3.5003;-.649,.2736,-4.4333;-2.5895,.3816,.3343;-2.195,-.5342,.2302;1.1711,-1.6646,1.3301;-.66,2.1343,.2828;-1.4331,1.4916,.3616;-.039,2.1112,1.2013;.9057,1.07,-1.4998;.4989,.8024,-2.3486;1.6864,1.655,-1.6461;.5124,-2.1068,1.9194;.931,-2.8986,2.2739;-.0935,1.8007,-.4772;-3.4843,.1939,3.0514;-4.0263,-.5597,3.3166;-3.8452,.9516,3.5286;3.102,2.5148,-1.1699;3.3374,2.295,-.2499;3.4211,3.403,-1.3533;.6945,2.023,2.3023;.3074,1.2851,2.846;1.6352,1.8206,2.1216;-.3626,-2.5219,-2.5356;-.8309,-3.1855,-3.0546;-.4818,-1.6649,-3.0021;-2.9805,.8162,-2.3606;-3.0746,.7153,-1.3926;-3.8315,1.088,-2.7153;-1.5151,-1.9865,.0264;-1.1572,-2.2488,-.8405;-.2413,-.8522,3.0257;-.8372,-2.209,.692;-1.5122,-.0218,3.4088;-3.0986,.3656,1.1632; Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(H31O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5441,-.0223,3.4402;2.386,-1.5735,-.4537;-1.5842,.346,-3.1729;3.237,1.293,1.3702;3.0598,.3985,.9978;2.2395,-2.9155,-1.5473;2.881,-3.3364,-2.1269;4.0182,1.2241,1.93;1.3831,-2.8968,-2.0151;2.1111,-.8327,.1348;1.603,-.2369,-.4568;-.6995,.038,-3.5003;-.649,.2736,-4.4333;-2.5895,.3816,.3343;-2.195,-.5342,.2302;1.1711,-1.6646,1.3301;-.66,2.1343,.2828;-1.4331,1.4916,.3616;-.039,2.1112,1.2013;.9057,1.07,-1.4998;.4989,.8024,-2.3486;1.6864,1.655,-1.6461;.5124,-2.1068,1.9194;.931,-2.8986,2.2739;-.0935,1.8007,-.4772;-3.4843,.1939,3.0514;-4.0263,-.5597,3.3166;-3.8452,.9516,3.5286;3.102,2.5148,-1.1699;3.3374,2.295,-.2499;3.4211,3.403,-1.3533;.6945,2.023,2.3023;.3074,1.2851,2.846;1.6352,1.8206,2.1216;-.3626,-2.5219,-2.5356;-.8309,-3.1855,-3.0546;-.4818,-1.6649,-3.0021;-2.9805,.8162,-2.3606;-3.0746,.7153,-1.3926;-3.8315,1.088,-2.7153;-1.5151,-1.9865,.0264;-1.1572,-2.2488,-.8405;-.2413,-.8522,3.0257;-.8372,-2.209,.692;-1.5122,-.0218,3.4088;-3.0986,.3656,1.1632; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/gas/CONF238/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 14H2OH3O CONF238 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 46 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 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 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 531 A 516 A 516 788 531 75 75 1467.9069696318 46 46 46 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) -0.0475837420 0.000000 5.114075 0.000000 6.704456 5.180784 0.000000 4.506881 3.502460 6.691761 0.000000 4.373843 2.539571 6.242036 0.984969 0.000000 6.402650 1.737377 5.282064 5.217078 4.258270 0.000000 7.328461 2.480416 5.881427 5.812679 4.872881 0.961521 0.000000 4.964722 4.021469 7.628635 0.963492 1.571341 5.691339 6.208827 0.000000 6.460401 2.279260 4.545412 5.696604 4.769455 0.976023 1.565022 6.284029 0.000000 4.316522 0.985203 5.097523 2.704147 1.777818 2.680290 3.460686 3.330174 3.067978 0.000000 4.454546 1.549041 4.227828 2.889382 2.154491 2.961263 3.745530 3.696546 3.090560 0.981407 0.000000 6.942451 4.625905 0.992295 6.386882 5.873196 4.601646 5.108078 7.290458 3.893093 4.676670 3.826166 0.000000 7.879729 5.334788 1.571149 7.058338 6.577743 5.180967 5.550823 7.948384 4.475297 5.450607 4.598267 0.963626 0.000000 3.740762 5.403552 3.648545 5.987621 5.688090 6.142476 7.057340 6.849574 5.661147 4.858952 4.311051 4.288780 5.148477 0.000000 3.645777 4.746932 3.567731 5.843409 5.391856 5.338044 6.258843 6.677174 4.840016 4.317485 3.871098 4.059593 4.979041 1.002600 0.000000 3.176709 2.160125 5.648893 3.607939 2.816775 3.314440 4.203464 4.100068 3.571178 1.733322 2.327654 5.452520 6.347064 4.395446 3.717230 0.000000 3.825345 4.854695 3.999259 4.132391 4.166604 6.103840 6.947906 5.042462 5.896327 4.062487 3.360182 4.325260 5.069942 2.607214 3.079022 4.345232 0.000000 3.543947 4.964340 3.718590 4.781885 4.667460 6.046008 6.936343 5.678662 5.730408 4.244388 3.588227 4.191097 5.008965 1.603126 2.168370 4.204854 1.008470 0.000000 3.133606 4.711274 4.963550 3.380843 3.546386 6.165522 7.019881 4.216415 6.119420 3.798234 3.310441 5.180643 5.957981 3.201273 3.548224 3.967016 1.108944 1.741398 0.000000 5.262954 3.205290 3.085872 3.704274 3.365852 4.203064 4.869437 4.634091 4.028546 2.783044 1.811661 2.764681 3.414164 4.006719 3.896272 3.944218 2.600348 3.018695 3.045065 0.000000 5.939569 3.577279 2.286178 4.644108 4.233183 4.182659 4.780476 5.556075 3.818000 3.382343 2.424491 1.829364 2.437802 4.112524 3.961562 4.480042 3.168855 3.398980 3.821568 0.978594 0.000000 5.801648 3.512049 3.839423 3.410772 3.233417 4.604914 5.154818 4.290828 4.576810 3.088804 2.236217 3.427124 3.889822 4.881255 4.835177 4.488110 3.075082 3.713364 3.360489 0.986492 1.621977 0.000000 2.788293 3.070176 6.028500 4.391354 3.689883 3.956546 4.847016 4.835858 4.106315 2.713633 3.214406 5.953279 6.882685 4.280965 3.557621 0.988240 4.694704 4.377244 4.314101 4.683799 5.165240 5.314368 0.000000 3.436480 3.363427 6.820604 4.868690 4.126913 4.039043 4.833289 5.161949 4.312733 3.199434 3.872116 6.680064 7.585865 5.188026 4.420288 1.572018 5.641446 5.340361 5.214345 5.476468 5.937344 6.055803 0.963215 0.000000 4.344235 4.187300 3.406620 3.842215 3.752938 5.369407 6.161044 4.799205 5.158688 3.488473 2.651472 3.551532 4.276851 2.983690 3.220101 4.107752 1.004921 1.610529 1.707839 1.605597 2.202240 2.134378 4.623823 5.540924 0.000000 2.973643 7.061841 6.509658 7.015056 6.861807 7.973593 8.932739 7.655448 7.675496 6.392878 6.194696 7.120688 8.004166 2.866882 3.186197 5.299919 4.405387 3.623074 4.355393 6.383851 6.737721 7.137115 4.748547 5.446350 5.150840 0.000000 3.525563 7.507322 6.992655 7.744461 7.517137 8.274482 9.222310 8.355691 7.946698 6.918492 6.784677 7.608823 8.494776 3.441620 3.588880 5.672673 5.271950 4.434434 5.244681 7.083645 7.377475 7.884693 4.994581 5.579633 5.952440 0.965343 0.000000 3.442899 7.814235 7.098489 7.411718 7.374949 8.817170 9.778143 8.028850 8.536827 7.083708 6.854141 7.754666 8.606230 3.479288 3.976212 6.069652 4.698896 4.017412 4.609605 6.918809 7.309940 7.607329 5.561717 6.261821 5.553656 0.965438 1.536772 0.000000 6.401843 4.211807 5.538560 2.821838 3.029676 5.511266 5.933019 3.480564 5.740565 3.726876 3.213577 5.100632 5.453671 6.261440 6.270178 5.238840 4.050630 4.894841 3.956156 2.649522 3.331377 1.723327 6.132589 6.773302 3.346738 8.160004 8.966230 8.531306 0.000000 5.835532 3.988988 6.046845 1.907582 2.287042 5.480701 5.953496 2.522364 5.821535 3.381509 3.075988 5.652931 6.121935 6.255445 6.232446 4.782081 4.035958 4.876207 3.679684 2.996042 3.832761 2.254949 5.662424 6.255770 3.473763 7.864488 8.665678 8.226344 0.974686 0.000000 7.101639 5.161977 6.140709 3.450136 3.832107 6.430940 6.805098 3.985511 6.654224 4.676719 4.166282 5.736859 5.987034 6.935662 7.039175 6.159856 4.576200 5.491587 4.490767 3.433862 4.036475 2.479957 7.037699 7.685551 3.960666 8.796877 9.642326 9.090758 0.961464 1.565914 0.000000 2.648048 4.836429 6.162956 2.804670 3.152012 6.449413 7.288418 3.438524 6.581661 3.854825 3.680397 6.289128 7.087561 4.165538 4.379780 3.843255 2.434181 2.928340 1.325881 3.925406 4.812428 4.087701 4.151555 4.927370 2.897565 4.622704 5.475849 4.822950 4.253699 3.684158 4.764699 0.000000 1.669535 4.835265 6.378623 3.280378 3.431844 6.378002 7.260215 3.822626 6.501961 3.884446 3.860554 6.545559 7.411215 3.939159 4.051501 3.427032 2.868263 3.040408 1.872835 4.392091 5.220557 4.713579 3.522208 4.268432 3.386790 3.950951 4.733445 4.221544 5.044740 4.448151 5.640496 0.994983 0.000000 3.143883 4.326115 6.369433 1.846343 2.305373 6.021313 6.796743 2.463972 6.279269 3.348683 3.298872 6.342987 7.111748 4.807547 4.877788 3.603925 2.957548 3.552429 1.932383 3.769629 4.723449 3.771703 4.089748 4.773861 3.121255 5.451570 6.256638 5.724444 3.669801 2.957548 4.215312 0.979002 1.604507 0.000000 6.480093 3.576189 3.181721 6.539612 5.720747 2.811188 3.369143 7.291501 1.859843 4.012984 3.661497 2.756353 3.390883 4.650356 3.867608 4.246274 5.450967 5.064442 5.961159 3.947643 3.439241 4.736762 4.559048 4.994680 4.795331 6.952396 7.177832 7.808237 6.263985 6.489852 7.128762 6.721580 6.626056 6.673712 0.000000 7.229838 4.439838 3.612861 7.495582 6.663678 3.431106 3.829027 8.234349 2.462897 4.935938 4.622412 3.256827 3.728138 5.225060 4.436194 5.054355 6.282375 5.823102 6.840678 4.852084 4.262622 5.634843 5.263884 5.619580 5.661218 7.466213 7.595878 8.339057 7.177267 7.434892 8.023844 7.625736 7.489951 7.611534 0.963814 0.000000 6.648678 3.837618 2.299536 6.457206 5.727087 3.329596 3.855938 7.274722 2.443319 4.154018 3.586640 1.787566 2.415330 4.445393 3.828963 4.636773 5.025570 4.709865 5.667742 3.414929 2.734252 4.190664 5.040296 5.599488 4.305386 7.008207 7.328730 7.797945 5.802611 6.151587 6.605633 6.566638 6.597391 6.548450 0.983053 1.561063 0.000000 6.347300 6.176274 1.682454 7.266591 6.923722 6.468052 7.187171 8.219278 5.739945 5.905095 5.073640 2.665964 3.166473 2.757561 3.025386 6.083654 3.756313 3.203304 4.797557 3.988443 3.479405 4.795214 6.250042 7.111852 3.584882 5.470959 5.934423 5.953872 6.426473 6.823337 6.977533 6.058422 6.175675 6.511756 4.245874 4.595240 3.579211 0.000000 5.504828 5.994824 2.350970 6.913969 6.591246 6.437852 7.240404 7.848911 5.771089 5.623192 4.864369 3.246830 3.914653 1.824491 2.228987 5.576923 3.263604 2.524786 4.229871 3.997476 3.700153 4.859476 5.639162 6.522888 3.302010 4.493249 4.970693 4.986764 6.437235 6.701887 7.029864 5.437686 5.452378 5.979372 4.375033 4.797119 3.870134 0.977787 0.000000 7.066090 7.131329 2.410516 8.166844 7.858254 7.365420 8.060925 9.122205 6.600076 6.864880 6.032412 3.395315 3.707225 3.367710 3.739726 6.997660 4.488023 3.922107 5.547081 4.890688 4.355262 5.649108 7.110329 7.966581 4.414776 5.845952 6.255897 6.245376 7.245546 7.676524 7.733988 6.821687 6.935254 7.335992 5.009707 5.232716 4.345213 0.961199 1.568872 0.000000 4.056484 3.952132 3.959821 5.928172 5.249873 4.175670 5.077752 6.674454 3.659981 3.806835 3.607898 4.147381 5.074090 2.618585 1.616438 3.003083 4.216395 3.495156 4.511125 4.187064 4.180234 5.129056 2.776458 3.444803 4.076459 4.216975 4.378075 5.131023 6.558173 6.477231 7.437447 5.112540 4.687759 5.367274 2.859827 3.376101 3.215976 3.962357 3.427101 4.725973 0.000000 4.863930 3.627663 3.514956 6.061405 5.307592 3.532918 4.375390 6.820640 2.872714 3.693002 3.437098 3.537384 4.419099 3.217235 2.272273 3.236285 4.552019 3.938504 4.942566 3.962912 3.785049 4.896407 3.228752 3.805591 4.202639 5.150679 5.326018 6.046250 6.398495 6.418476 7.291518 5.617331 5.312633 5.755971 1.891894 2.426103 2.338668 3.876783 3.573076 4.669125 0.973855 0.000000 0.975802 4.419178 6.454545 4.409259 4.071132 5.596784 6.516818 4.863616 5.677034 3.727138 3.988522 6.602329 7.554481 3.778869 3.425343 2.351590 4.076500 3.743107 3.485825 5.048855 5.671792 5.641654 1.834762 2.475364 4.396611 3.407602 3.807370 4.061342 6.333818 5.782939 7.120105 3.108981 2.213890 3.388540 5.807869 6.539293 6.087097 6.268896 5.477755 7.043638 3.450394 4.211563 0.000000 3.524222 3.479268 4.692876 5.415074 4.698827 3.870330 4.800149 6.073973 3.568038 3.301051 3.341185 4.758474 5.697992 3.147972 2.204951 2.176344 4.366147 3.762792 4.422729 4.312035 4.483187 5.173582 1.827101 2.470710 4.242412 4.283450 4.447367 5.204210 6.426332 6.212966 7.335575 4.780055 4.261281 4.938992 3.277298 3.871778 3.750818 4.802524 4.231186 5.607648 0.975773 1.566099 2.764458 0.000000 0.968650 5.702818 6.592274 5.332941 5.185844 6.856463 7.805731 5.858712 6.787212 4.950227 4.969291 6.956910 7.894941 3.282617 3.291199 3.770886 3.891885 3.403180 3.404876 5.579659 6.153987 6.212491 3.265711 3.941210 4.520545 2.015731 2.572573 2.530741 6.977797 6.501799 7.664518 3.205523 2.309951 3.867479 6.550406 7.228276 6.697777 6.011948 5.102667 6.641878 3.911574 4.810598 1.565707 3.552482 0.000000 3.443897 6.037789 4.592978 6.406482 6.160680 6.826960 7.764274 7.209240 6.389839 5.443728 5.009247 5.254610 6.109827 0.972945 1.580076 4.730662 3.138544 2.164347 3.522773 4.860269 5.046355 5.696613 4.441179 5.303398 3.712344 1.934854 2.520663 2.548696 6.964903 6.866030 7.620055 4.293275 3.908733 5.044197 5.431824 5.961746 5.321643 3.554479 2.579742 4.012707 3.054849 3.823471 3.621575 3.458963 2.776509 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9454,1.5286,1.0402;2.0905,.9834,1.7446;1.3538,-2.8477,-1.6642;.8468,3.6515,-.1533;1.142,2.9959,.5199;3.015,-.2123,2.6014;3.922,-.2063,2.9204;.9295,4.5273,.2396;2.8216,-1.1102,2.2712;1.3652,1.3687,1.2004;1.4064,.8637,.36;2.2087,-2.4781,-1.3217;2.9151,-2.8837,-1.8366;-1.9501,-1.6108,-.7336;-1.4913,-1.695,.1539;-.0226,1.0478,2.1881;-.9288,.4174,-2.0146;-1.3905,-.3416,-1.5374;-1.2264,1.3916,-1.5762;1.5693,.2116,-1.3224;1.9913,-.6649,-1.4287;2.0951,.9181,-1.7668;-.8266,.7323,2.6684;-.7175,.9682,3.5959;.055,.2961,-1.8495;-4.5534,-.8147,.1653;-4.9936,-1.3346,.8493;-5.2515,-.5506,-.4471;2.5147,2.5466,-2.1433;1.9981,3.1643,-1.5942;2.7321,2.9928,-2.9668;-1.5816,2.53,-.9968;-2.1365,2.2885,-.207;-.8171,3.0611,-.6935;2.0518,-2.5785,1.4283;2.2403,-3.4537,1.7854;2.209,-2.6306,.4593;-.2173,-3.2701,-2.0931;-.9968,-2.8303,-1.6995;-.5285,-4.0116,-2.6195;-.6996,-1.8094,1.5585;.2224,-2.1221,1.5836;-2.3217,1.2311,1.7292;-.7412,-1.005,2.1091;-3.5381,.7867,.8493;-2.9005,-1.5302,-.5415; 0.2743228 0.2580763 0.2133291 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= 516 RedAO= T EigKep= 1.49D-04 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 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= 518 517 518 518 518 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.55423671137 -1147.55423671 1 1.143867677288e+03 -5.632544709262e+03 1.873263409373e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 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. PT140.300S Tue Nov 5 13:09:04 2024 -19.27952 -19.27146 -19.25978 -19.25579 -19.25326 -19.24897 -19.24589 -19.24244 -19.24089 -19.23942 -19.23760 -19.23607 -19.23444 -19.22154 -19.22091 -1.18083 -1.16742 -1.15439 -1.14724 -1.14275 -1.13947 -1.13844 -1.13488 -1.12799 -1.12601 -1.12246 -1.12006 -1.11350 -1.10750 -1.10456 -0.68630 -0.68437 -0.68013 -0.67889 -0.67383 -0.66809 -0.66661 -0.66486 -0.66227 -0.65586 -0.65273 -0.64924 -0.64850 -0.64305 -0.63932 -0.63800 -0.56612 -0.56125 -0.55476 -0.55074 -0.54255 -0.53381 -0.51988 -0.51858 -0.51492 -0.50907 -0.50177 -0.49499 -0.48937 -0.48769 -0.47790 -0.46731 -0.46045 -0.45355 -0.45097 -0.44936 -0.44734 -0.44413 -0.43976 -0.43690 -0.43470 -0.43080 -0.42944 -0.42137 -0.41729 -0.12017 -0.10558 -0.09209 -0.08008 -0.06853 -0.05682 -0.05313 -0.04942 -0.03762 -0.02554 -0.02161 -0.01510 -0.00679 -0.00209 -0.00066 0.00955 0.01077 0.01623 0.01802 0.02088 0.03065 0.03435 0.03724 0.04136 0.04506 0.04702 0.05101 0.05606 0.06065 0.06595 0.06811 0.07078 0.07778 0.07971 0.08825 0.09039 0.09587 0.09686 0.10067 0.10982 0.11039 0.11174 0.11612 0.11766 0.12393 0.12837 0.13529 0.13609 0.14367 0.14447 0.14519 0.15157 0.15266 0.15479 0.16214 0.16502 0.16901 0.17049 0.17357 0.17600 0.17705 0.18255 0.18523 0.19198 0.19313 0.19606 0.20523 0.20921 0.21203 0.21878 0.22477 0.23048 0.23551 0.24559 0.25363 0.25660 0.26647 0.26898 0.27946 0.29291 0.30775 0.32297 0.32849 0.33448 0.34748 0.34826 0.35530 0.36746 0.37150 0.38845 0.39707 0.40545 0.40643 0.41487 0.42264 0.43316 0.44217 0.44766 0.45073 0.45417 0.46391 0.47038 0.47419 0.48099 0.48522 0.49668 0.49809 0.50425 0.50862 0.52683 0.52947 0.53281 0.53865 0.54702 0.55203 0.57228 0.57885 0.58125 0.58624 0.58948 0.59773 0.60504 0.81031 0.83686 0.83861 0.84985 0.85222 0.85526 0.85991 0.87073 0.87593 0.88245 0.89044 0.89424 0.90379 0.90704 0.91228 0.91498 0.92227 0.92601 0.92946 0.93443 0.94450 0.94780 0.95269 0.95521 0.96019 0.96487 0.96807 0.97516 0.98304 0.98354 0.98890 0.99251 0.99441 0.99861 1.01631 1.01800 1.01956 1.03104 1.03766 1.04354 1.05244 1.06173 1.06919 1.07987 1.10309 1.10501 1.12832 1.13412 1.14709 1.15400 1.16244 1.16663 1.16900 1.18091 1.18441 1.19411 1.20392 1.20756 1.22052 1.23054 1.23197 1.24248 1.25216 1.25398 1.25774 1.27361 1.27719 1.28303 1.28984 1.30034 1.30639 1.30906 1.32375 1.32593 1.33602 1.34742 1.35025 1.36042 1.37211 1.37758 1.38690 1.40538 1.40990 1.41409 1.41933 1.42761 1.43457 1.44158 1.44611 1.46601 1.47100 1.48395 1.49001 1.49470 1.49978 1.51013 1.51527 1.52433 1.53531 1.54321 1.56623 1.57039 1.57698 1.58890 1.59863 1.60350 1.62075 1.63877 1.64396 1.65522 1.66621 1.67214 1.67817 1.70752 1.72161 1.72645 1.73503 1.75519 1.77978 1.82064 1.83447 1.84111 1.90316 1.91042 1.91243 1.92371 1.92687 1.93744 1.93915 1.95829 2.05958 2.06815 2.08675 2.10782 2.12980 2.14180 2.14470 2.16151 2.16873 2.17703 2.18101 2.19311 2.20870 2.21092 2.22446 2.23105 2.24292 2.24873 2.27287 2.29644 2.30326 2.34329 2.34459 2.35084 2.36104 2.36897 2.38521 2.42000 2.42866 2.43879 2.44523 2.46331 2.49905 2.52306 2.53616 2.54725 2.56978 2.58288 2.58649 2.59273 2.61192 2.63570 2.64008 2.66029 2.67013 2.68029 2.69243 2.70985 2.72491 2.73095 2.74066 2.75969 2.79091 2.84291 2.95113 2.95595 2.96141 2.96898 2.97112 2.97651 2.98617 2.98678 2.99551 2.99828 3.00858 3.01186 3.01891 3.02834 3.03056 3.03409 3.03721 3.04368 3.04520 3.05229 3.06478 3.07089 3.07302 3.08266 3.09809 3.10399 3.11808 3.16600 3.16839 3.17899 3.18294 3.18556 3.19049 3.19583 3.19913 3.20380 3.21119 3.21873 3.22169 3.22612 3.23451 3.24075 3.24815 3.26154 3.47143 3.54379 3.58516 3.58916 3.59854 3.60241 3.60522 3.61449 3.62327 3.63115 3.63873 3.64469 3.66193 3.66829 3.67387 3.74775 3.75400 3.77692 3.77951 3.78579 3.79471 3.79737 3.80530 3.81337 3.82347 3.83199 3.83877 3.84621 3.86542 3.87419 3.89890 4.84201 4.85473 4.86471 4.86940 4.88320 4.90746 4.91962 4.92518 4.93029 4.93401 4.95364 4.95957 4.98389 5.03934 5.06002 5.23338 5.24591 5.26522 5.28249 5.29509 5.30075 5.31590 5.32290 5.34246 5.34857 5.37051 5.38979 5.41562 5.43646 5.47423 5.52220 5.53712 5.54894 5.55134 5.55612 5.56834 5.57357 5.59310 5.60002 5.60482 5.61904 5.62741 5.64996 5.66179 5.79589 49.72874 49.75820 49.77178 49.77921 49.78411 49.79287 49.79767 49.80175 49.80698 49.81481 49.82981 49.84108 49.85284 49.85908 49.87023 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 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 H -0.668814 0.442485 0.427691 -0.673741 0.338186 -0.674447 0.317916 0.318643 0.365776 -0.727506 0.335777 -0.731836 0.318345 -0.787547 0.424780 0.366273 -0.592702 0.416781 0.488069 -0.822539 0.414049 0.437131 -0.706268 0.309029 0.412686 -0.607039 0.294657 0.296838 -0.659825 0.354507 0.317663 -0.682949 0.419978 0.381476 -0.703385 0.301531 0.389883 -0.703114 0.378299 0.331605 -0.696063 0.377180 0.355306 0.361164 0.352161 0.391911 1.00000 0.8513 -3.1457 0.1561 3.2626 -36.2985 -51.3585 -72.8178 6.5430 -0.9276 6.0881 17.1931 2.1331 -19.3262 6.5430 -0.9276 6.0881 -136.7334 -5.2812 19.7183 83.6259 -98.2551 10.2650 48.1280 -9.1346 -39.6177 -18.8767 -1229.4712 -1619.6815 -1370.7142 169.4838 101.1434 69.2074 117.5310 -74.8839 41.4845 -705.1094 -499.3413 -442.7041 -65.7546 -24.2153 41.0217 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTILLA LAMSABHI 05-Nov-2024 0 Wavefunction 14H2OH3O CONF238 gas 1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.5542367 RMSD=1.473e-09 Dipole=-0.7012927,-0.5372002,-0.9312566 Quadrupole=11.3067062,-15.4701023,4.1633961,-0.0963982,-5.853821,2.0699518 PG=C01 [X(H31O15)] 0 -0.544104897 -0.0222872081 3.440188126 0 2.3860066811 -1.5734589841 -0.4536634418 0 -1.5841535964 0.345999387 -3.1728594785 0 3.237026902 1.2930107383 1.3701624069 0 3.0597802225 0.3985448165 0.9977678141 0 2.2395135558 -2.9154810451 -1.5472788936 0 2.8809543119 -3.3363766506 -2.1268681186 0 4.0181561064 1.2241270537 1.9299921964 0 1.3831024317 -2.8967913762 -2.0150732822 0 2.1110896493 -0.8326803708 0.1348034917 0 1.6030099134 -0.2368839481 -0.4568398103 0 -0.6995008143 0.0380258745 -3.5002612692 0 -0.648958009 0.2735808438 -4.4332859544 0 -2.5894548837 0.3816144467 0.3342730517 0 -2.1950121594 -0.534239692 0.2301880248 0 1.1710505426 -1.6645832005 1.3300733513 0 -0.6599678003 2.134325589 0.2828374986 0 -1.4330770851 1.4915943835 0.361641686 0 -0.0389719501 2.111192492 1.2013069351 0 0.905682749 1.0700417531 -1.4998138732 0 0.498869405 0.8023954983 -2.3486449507 0 1.6864220088 1.6550280855 -1.6461158 0 0.5124395913 -2.1068422513 1.9193583041 0 0.931002603 -2.8986068657 2.2738968096 0 -0.093454611 1.8007366506 -0.4771936813 0 -3.4842942435 0.1938528812 3.051444372 0 -4.0262750471 -0.5596992047 3.3165912919 0 -3.8452165469 0.9515725907 3.5285894475 0 3.102008451 2.5147792401 -1.1698812972 0 3.3374410157 2.2950409603 -0.2499364653 0 3.4210821074 3.4030058078 -1.3533429977 0 0.6945084871 2.0230023598 2.3023018512 0 0.3074094534 1.2850899952 2.8460218121 0 1.6351559085 1.8205794578 2.1216035822 0 -0.362615707 -2.5219485109 -2.5356263182 0 -0.830914092 -3.1854896653 -3.0546138612 0 -0.4818260826 -1.6648654316 -3.0020927266 0 -2.9804870409 0.8162490335 -2.36059756 0 -3.0745772464 0.7152832779 -1.3925993871 0 -3.8315261224 1.087974449 -2.7152819089 0 -1.5150632961 -1.9864766291 0.0263540843 0 -1.1571833002 -2.2487862455 -0.8405425095 0 -0.2413164295 -0.8521791043 3.0257138043 0 -0.8371692568 -2.208994789 0.6919956524 0 -1.5122449528 -0.0218410217 3.4087516074 0 -3.0985893667 0.3655640002 1.1632156223 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(H31O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5441,-.0223,3.4402;2.386,-1.5735,-.4537;-1.5842,.346,-3.1729;3.237,1.293,1.3702;3.0598,.3985,.9978;2.2395,-2.9155,-1.5473;2.881,-3.3364,-2.1269;4.0182,1.2241,1.93;1.3831,-2.8968,-2.0151;2.1111,-.8327,.1348;1.603,-.2369,-.4568;-.6995,.038,-3.5003;-.649,.2736,-4.4333;-2.5895,.3816,.3343;-2.195,-.5342,.2302;1.1711,-1.6646,1.3301;-.66,2.1343,.2828;-1.4331,1.4916,.3616;-.039,2.1112,1.2013;.9057,1.07,-1.4998;.4989,.8024,-2.3486;1.6864,1.655,-1.6461;.5124,-2.1068,1.9194;.931,-2.8986,2.2739;-.0935,1.8007,-.4772;-3.4843,.1939,3.0514;-4.0263,-.5597,3.3166;-3.8452,.9516,3.5286;3.102,2.5148,-1.1699;3.3374,2.295,-.2499;3.4211,3.403,-1.3533;.6945,2.023,2.3023;.3074,1.2851,2.846;1.6352,1.8206,2.1216;-.3626,-2.5219,-2.5356;-.8309,-3.1855,-3.0546;-.4818,-1.6649,-3.0021;-2.9805,.8162,-2.3606;-3.0746,.7153,-1.3926;-3.8315,1.088,-2.7153;-1.5151,-1.9865,.0264;-1.1572,-2.2488,-.8405;-.2413,-.8522,3.0257;-.8372,-2.209,.692;-1.5122,-.0218,3.4088;-3.0986,.3656,1.1632; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/gas/CONF238/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 14H2OH3O CONF238 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 46 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 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 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 531 A 516 A 516 788 531 75 75 1467.9069696318 46 46 46 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) -0.0475837420 0.000000 5.114075 0.000000 6.704456 5.180784 0.000000 4.506881 3.502460 6.691761 0.000000 4.373843 2.539571 6.242036 0.984969 0.000000 6.402650 1.737377 5.282064 5.217078 4.258270 0.000000 7.328461 2.480416 5.881427 5.812679 4.872881 0.961521 0.000000 4.964722 4.021469 7.628635 0.963492 1.571341 5.691339 6.208827 0.000000 6.460401 2.279260 4.545412 5.696604 4.769455 0.976023 1.565022 6.284029 0.000000 4.316522 0.985203 5.097523 2.704147 1.777818 2.680290 3.460686 3.330174 3.067978 0.000000 4.454546 1.549041 4.227828 2.889382 2.154491 2.961263 3.745530 3.696546 3.090560 0.981407 0.000000 6.942451 4.625905 0.992295 6.386882 5.873196 4.601646 5.108078 7.290458 3.893093 4.676670 3.826166 0.000000 7.879729 5.334788 1.571149 7.058338 6.577743 5.180967 5.550823 7.948384 4.475297 5.450607 4.598267 0.963626 0.000000 3.740762 5.403552 3.648545 5.987621 5.688090 6.142476 7.057340 6.849574 5.661147 4.858952 4.311051 4.288780 5.148477 0.000000 3.645777 4.746932 3.567731 5.843409 5.391856 5.338044 6.258843 6.677174 4.840016 4.317485 3.871098 4.059593 4.979041 1.002600 0.000000 3.176709 2.160125 5.648893 3.607939 2.816775 3.314440 4.203464 4.100068 3.571178 1.733322 2.327654 5.452520 6.347064 4.395446 3.717230 0.000000 3.825345 4.854695 3.999259 4.132391 4.166604 6.103840 6.947906 5.042462 5.896327 4.062487 3.360182 4.325260 5.069942 2.607214 3.079022 4.345232 0.000000 3.543947 4.964340 3.718590 4.781885 4.667460 6.046008 6.936343 5.678662 5.730408 4.244388 3.588227 4.191097 5.008965 1.603126 2.168370 4.204854 1.008470 0.000000 3.133606 4.711274 4.963550 3.380843 3.546386 6.165522 7.019881 4.216415 6.119420 3.798234 3.310441 5.180643 5.957981 3.201273 3.548224 3.967016 1.108944 1.741398 0.000000 5.262954 3.205290 3.085872 3.704274 3.365852 4.203064 4.869437 4.634091 4.028546 2.783044 1.811661 2.764681 3.414164 4.006719 3.896272 3.944218 2.600348 3.018695 3.045065 0.000000 5.939569 3.577279 2.286178 4.644108 4.233183 4.182659 4.780476 5.556075 3.818000 3.382343 2.424491 1.829364 2.437802 4.112524 3.961562 4.480042 3.168855 3.398980 3.821568 0.978594 0.000000 5.801648 3.512049 3.839423 3.410772 3.233417 4.604914 5.154818 4.290828 4.576810 3.088804 2.236217 3.427124 3.889822 4.881255 4.835177 4.488110 3.075082 3.713364 3.360489 0.986492 1.621977 0.000000 2.788293 3.070176 6.028500 4.391354 3.689883 3.956546 4.847016 4.835858 4.106315 2.713633 3.214406 5.953279 6.882685 4.280965 3.557621 0.988240 4.694704 4.377244 4.314101 4.683799 5.165240 5.314368 0.000000 3.436480 3.363427 6.820604 4.868690 4.126913 4.039043 4.833289 5.161949 4.312733 3.199434 3.872116 6.680064 7.585865 5.188026 4.420288 1.572018 5.641446 5.340361 5.214345 5.476468 5.937344 6.055803 0.963215 0.000000 4.344235 4.187300 3.406620 3.842215 3.752938 5.369407 6.161044 4.799205 5.158688 3.488473 2.651472 3.551532 4.276851 2.983690 3.220101 4.107752 1.004921 1.610529 1.707839 1.605597 2.202240 2.134378 4.623823 5.540924 0.000000 2.973643 7.061841 6.509658 7.015056 6.861807 7.973593 8.932739 7.655448 7.675496 6.392878 6.194696 7.120688 8.004166 2.866882 3.186197 5.299919 4.405387 3.623074 4.355393 6.383851 6.737721 7.137115 4.748547 5.446350 5.150840 0.000000 3.525563 7.507322 6.992655 7.744461 7.517137 8.274482 9.222310 8.355691 7.946698 6.918492 6.784677 7.608823 8.494776 3.441620 3.588880 5.672673 5.271950 4.434434 5.244681 7.083645 7.377475 7.884693 4.994581 5.579633 5.952440 0.965343 0.000000 3.442899 7.814235 7.098489 7.411718 7.374949 8.817170 9.778143 8.028850 8.536827 7.083708 6.854141 7.754666 8.606230 3.479288 3.976212 6.069652 4.698896 4.017412 4.609605 6.918809 7.309940 7.607329 5.561717 6.261821 5.553656 0.965438 1.536772 0.000000 6.401843 4.211807 5.538560 2.821838 3.029676 5.511266 5.933019 3.480564 5.740565 3.726876 3.213577 5.100632 5.453671 6.261440 6.270178 5.238840 4.050630 4.894841 3.956156 2.649522 3.331377 1.723327 6.132589 6.773302 3.346738 8.160004 8.966230 8.531306 0.000000 5.835532 3.988988 6.046845 1.907582 2.287042 5.480701 5.953496 2.522364 5.821535 3.381509 3.075988 5.652931 6.121935 6.255445 6.232446 4.782081 4.035958 4.876207 3.679684 2.996042 3.832761 2.254949 5.662424 6.255770 3.473763 7.864488 8.665678 8.226344 0.974686 0.000000 7.101639 5.161977 6.140709 3.450136 3.832107 6.430940 6.805098 3.985511 6.654224 4.676719 4.166282 5.736859 5.987034 6.935662 7.039175 6.159856 4.576200 5.491587 4.490767 3.433862 4.036475 2.479957 7.037699 7.685551 3.960666 8.796877 9.642326 9.090758 0.961464 1.565914 0.000000 2.648048 4.836429 6.162956 2.804670 3.152012 6.449413 7.288418 3.438524 6.581661 3.854825 3.680397 6.289128 7.087561 4.165538 4.379780 3.843255 2.434181 2.928340 1.325881 3.925406 4.812428 4.087701 4.151555 4.927370 2.897565 4.622704 5.475849 4.822950 4.253699 3.684158 4.764699 0.000000 1.669535 4.835265 6.378623 3.280378 3.431844 6.378002 7.260215 3.822626 6.501961 3.884446 3.860554 6.545559 7.411215 3.939159 4.051501 3.427032 2.868263 3.040408 1.872835 4.392091 5.220557 4.713579 3.522208 4.268432 3.386790 3.950951 4.733445 4.221544 5.044740 4.448151 5.640496 0.994983 0.000000 3.143883 4.326115 6.369433 1.846343 2.305373 6.021313 6.796743 2.463972 6.279269 3.348683 3.298872 6.342987 7.111748 4.807547 4.877788 3.603925 2.957548 3.552429 1.932383 3.769629 4.723449 3.771703 4.089748 4.773861 3.121255 5.451570 6.256638 5.724444 3.669801 2.957548 4.215312 0.979002 1.604507 0.000000 6.480093 3.576189 3.181721 6.539612 5.720747 2.811188 3.369143 7.291501 1.859843 4.012984 3.661497 2.756353 3.390883 4.650356 3.867608 4.246274 5.450967 5.064442 5.961159 3.947643 3.439241 4.736762 4.559048 4.994680 4.795331 6.952396 7.177832 7.808237 6.263985 6.489852 7.128762 6.721580 6.626056 6.673712 0.000000 7.229838 4.439838 3.612861 7.495582 6.663678 3.431106 3.829027 8.234349 2.462897 4.935938 4.622412 3.256827 3.728138 5.225060 4.436194 5.054355 6.282375 5.823102 6.840678 4.852084 4.262622 5.634843 5.263884 5.619580 5.661218 7.466213 7.595878 8.339057 7.177267 7.434892 8.023844 7.625736 7.489951 7.611534 0.963814 0.000000 6.648678 3.837618 2.299536 6.457206 5.727087 3.329596 3.855938 7.274722 2.443319 4.154018 3.586640 1.787566 2.415330 4.445393 3.828963 4.636773 5.025570 4.709865 5.667742 3.414929 2.734252 4.190664 5.040296 5.599488 4.305386 7.008207 7.328730 7.797945 5.802611 6.151587 6.605633 6.566638 6.597391 6.548450 0.983053 1.561063 0.000000 6.347300 6.176274 1.682454 7.266591 6.923722 6.468052 7.187171 8.219278 5.739945 5.905095 5.073640 2.665964 3.166473 2.757561 3.025386 6.083654 3.756313 3.203304 4.797557 3.988443 3.479405 4.795214 6.250042 7.111852 3.584882 5.470959 5.934423 5.953872 6.426473 6.823337 6.977533 6.058422 6.175675 6.511756 4.245874 4.595240 3.579211 0.000000 5.504828 5.994824 2.350970 6.913969 6.591246 6.437852 7.240404 7.848911 5.771089 5.623192 4.864369 3.246830 3.914653 1.824491 2.228987 5.576923 3.263604 2.524786 4.229871 3.997476 3.700153 4.859476 5.639162 6.522888 3.302010 4.493249 4.970693 4.986764 6.437235 6.701887 7.029864 5.437686 5.452378 5.979372 4.375033 4.797119 3.870134 0.977787 0.000000 7.066090 7.131329 2.410516 8.166844 7.858254 7.365420 8.060925 9.122205 6.600076 6.864880 6.032412 3.395315 3.707225 3.367710 3.739726 6.997660 4.488023 3.922107 5.547081 4.890688 4.355262 5.649108 7.110329 7.966581 4.414776 5.845952 6.255897 6.245376 7.245546 7.676524 7.733988 6.821687 6.935254 7.335992 5.009707 5.232716 4.345213 0.961199 1.568872 0.000000 4.056484 3.952132 3.959821 5.928172 5.249873 4.175670 5.077752 6.674454 3.659981 3.806835 3.607898 4.147381 5.074090 2.618585 1.616438 3.003083 4.216395 3.495156 4.511125 4.187064 4.180234 5.129056 2.776458 3.444803 4.076459 4.216975 4.378075 5.131023 6.558173 6.477231 7.437447 5.112540 4.687759 5.367274 2.859827 3.376101 3.215976 3.962357 3.427101 4.725973 0.000000 4.863930 3.627663 3.514956 6.061405 5.307592 3.532918 4.375390 6.820640 2.872714 3.693002 3.437098 3.537384 4.419099 3.217235 2.272273 3.236285 4.552019 3.938504 4.942566 3.962912 3.785049 4.896407 3.228752 3.805591 4.202639 5.150679 5.326018 6.046250 6.398495 6.418476 7.291518 5.617331 5.312633 5.755971 1.891894 2.426103 2.338668 3.876783 3.573076 4.669125 0.973855 0.000000 0.975802 4.419178 6.454545 4.409259 4.071132 5.596784 6.516818 4.863616 5.677034 3.727138 3.988522 6.602329 7.554481 3.778869 3.425343 2.351590 4.076500 3.743107 3.485825 5.048855 5.671792 5.641654 1.834762 2.475364 4.396611 3.407602 3.807370 4.061342 6.333818 5.782939 7.120105 3.108981 2.213890 3.388540 5.807869 6.539293 6.087097 6.268896 5.477755 7.043638 3.450394 4.211563 0.000000 3.524222 3.479268 4.692876 5.415074 4.698827 3.870330 4.800149 6.073973 3.568038 3.301051 3.341185 4.758474 5.697992 3.147972 2.204951 2.176344 4.366147 3.762792 4.422729 4.312035 4.483187 5.173582 1.827101 2.470710 4.242412 4.283450 4.447367 5.204210 6.426332 6.212966 7.335575 4.780055 4.261281 4.938992 3.277298 3.871778 3.750818 4.802524 4.231186 5.607648 0.975773 1.566099 2.764458 0.000000 0.968650 5.702818 6.592274 5.332941 5.185844 6.856463 7.805731 5.858712 6.787212 4.950227 4.969291 6.956910 7.894941 3.282617 3.291199 3.770886 3.891885 3.403180 3.404876 5.579659 6.153987 6.212491 3.265711 3.941210 4.520545 2.015731 2.572573 2.530741 6.977797 6.501799 7.664518 3.205523 2.309951 3.867479 6.550406 7.228276 6.697777 6.011948 5.102667 6.641878 3.911574 4.810598 1.565707 3.552482 0.000000 3.443897 6.037789 4.592978 6.406482 6.160680 6.826960 7.764274 7.209240 6.389839 5.443728 5.009247 5.254610 6.109827 0.972945 1.580076 4.730662 3.138544 2.164347 3.522773 4.860269 5.046355 5.696613 4.441179 5.303398 3.712344 1.934854 2.520663 2.548696 6.964903 6.866030 7.620055 4.293275 3.908733 5.044197 5.431824 5.961746 5.321643 3.554479 2.579742 4.012707 3.054849 3.823471 3.621575 3.458963 2.776509 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9454,1.5286,1.0402;2.0905,.9834,1.7446;1.3538,-2.8477,-1.6642;.8468,3.6515,-.1533;1.142,2.9959,.5199;3.015,-.2123,2.6014;3.922,-.2063,2.9204;.9295,4.5273,.2396;2.8216,-1.1102,2.2712;1.3652,1.3687,1.2004;1.4064,.8637,.36;2.2087,-2.4781,-1.3217;2.9151,-2.8837,-1.8366;-1.9501,-1.6108,-.7336;-1.4913,-1.695,.1539;-.0226,1.0478,2.1881;-.9288,.4174,-2.0146;-1.3905,-.3416,-1.5374;-1.2264,1.3916,-1.5762;1.5693,.2116,-1.3224;1.9913,-.6649,-1.4287;2.0951,.9181,-1.7668;-.8266,.7323,2.6684;-.7175,.9682,3.5959;.055,.2961,-1.8495;-4.5534,-.8147,.1653;-4.9936,-1.3346,.8493;-5.2515,-.5506,-.4471;2.5147,2.5466,-2.1433;1.9981,3.1643,-1.5942;2.7321,2.9928,-2.9668;-1.5816,2.53,-.9968;-2.1365,2.2885,-.207;-.8171,3.0611,-.6935;2.0518,-2.5785,1.4283;2.2403,-3.4537,1.7854;2.209,-2.6306,.4593;-.2173,-3.2701,-2.0931;-.9968,-2.8303,-1.6995;-.5285,-4.0116,-2.6195;-.6996,-1.8094,1.5585;.2224,-2.1221,1.5836;-2.3217,1.2311,1.7292;-.7412,-1.005,2.1091;-3.5381,.7867,.8493;-2.9005,-1.5302,-.5415; 0.2743228 0.2580763 0.2133291 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= 516 RedAO= T EigKep= 1.49D-04 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 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= 518 517 518 518 518 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.55423671137 -1147.55423671 1 1.143867677288e+03 -5.632544709262e+03 1.873263409373e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 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. PT14627.400S Tue Nov 5 13:44:16 2024 -19.27952 -19.27146 -19.25978 -19.25579 -19.25326 -19.24897 -19.24589 -19.24244 -19.24089 -19.23942 -19.23760 -19.23607 -19.23444 -19.22154 -19.22091 -1.18083 -1.16742 -1.15439 -1.14724 -1.14275 -1.13947 -1.13844 -1.13488 -1.12799 -1.12601 -1.12246 -1.12006 -1.11350 -1.10750 -1.10456 -0.68630 -0.68437 -0.68013 -0.67889 -0.67383 -0.66809 -0.66661 -0.66486 -0.66227 -0.65586 -0.65273 -0.64924 -0.64850 -0.64305 -0.63932 -0.63800 -0.56612 -0.56125 -0.55476 -0.55074 -0.54255 -0.53381 -0.51988 -0.51858 -0.51492 -0.50907 -0.50177 -0.49499 -0.48937 -0.48769 -0.47790 -0.46731 -0.46045 -0.45355 -0.45097 -0.44936 -0.44734 -0.44413 -0.43976 -0.43690 -0.43470 -0.43080 -0.42944 -0.42137 -0.41729 -0.12017 -0.10558 -0.09209 -0.08008 -0.06853 -0.05682 -0.05313 -0.04942 -0.03762 -0.02554 -0.02161 -0.01510 -0.00679 -0.00209 -0.00066 0.00955 0.01077 0.01623 0.01802 0.02088 0.03065 0.03435 0.03724 0.04136 0.04506 0.04702 0.05101 0.05606 0.06065 0.06595 0.06811 0.07078 0.07778 0.07971 0.08825 0.09039 0.09587 0.09686 0.10067 0.10982 0.11039 0.11174 0.11612 0.11766 0.12393 0.12837 0.13529 0.13609 0.14367 0.14447 0.14519 0.15157 0.15266 0.15479 0.16214 0.16502 0.16901 0.17049 0.17357 0.17600 0.17705 0.18255 0.18523 0.19198 0.19313 0.19606 0.20523 0.20921 0.21203 0.21878 0.22477 0.23048 0.23551 0.24559 0.25363 0.25660 0.26647 0.26898 0.27946 0.29291 0.30775 0.32297 0.32849 0.33448 0.34748 0.34826 0.35530 0.36746 0.37150 0.38845 0.39707 0.40545 0.40643 0.41487 0.42264 0.43316 0.44217 0.44766 0.45073 0.45417 0.46391 0.47038 0.47419 0.48099 0.48522 0.49668 0.49809 0.50425 0.50862 0.52683 0.52947 0.53281 0.53865 0.54702 0.55203 0.57228 0.57885 0.58125 0.58624 0.58948 0.59773 0.60504 0.81031 0.83686 0.83861 0.84985 0.85222 0.85526 0.85991 0.87073 0.87593 0.88245 0.89044 0.89424 0.90379 0.90704 0.91228 0.91498 0.92227 0.92601 0.92946 0.93443 0.94450 0.94780 0.95269 0.95521 0.96019 0.96487 0.96807 0.97516 0.98304 0.98354 0.98890 0.99251 0.99441 0.99861 1.01631 1.01800 1.01956 1.03104 1.03766 1.04354 1.05244 1.06173 1.06919 1.07987 1.10309 1.10501 1.12832 1.13412 1.14709 1.15400 1.16244 1.16663 1.16900 1.18091 1.18441 1.19411 1.20392 1.20756 1.22052 1.23054 1.23197 1.24248 1.25216 1.25398 1.25774 1.27361 1.27719 1.28303 1.28984 1.30034 1.30639 1.30906 1.32375 1.32593 1.33602 1.34742 1.35025 1.36042 1.37211 1.37758 1.38690 1.40538 1.40990 1.41409 1.41933 1.42761 1.43457 1.44158 1.44611 1.46601 1.47100 1.48395 1.49001 1.49470 1.49978 1.51013 1.51527 1.52433 1.53531 1.54321 1.56623 1.57039 1.57698 1.58890 1.59863 1.60350 1.62075 1.63877 1.64396 1.65522 1.66621 1.67214 1.67817 1.70752 1.72161 1.72645 1.73503 1.75519 1.77978 1.82064 1.83447 1.84111 1.90316 1.91042 1.91243 1.92371 1.92687 1.93744 1.93915 1.95829 2.05958 2.06815 2.08675 2.10782 2.12980 2.14180 2.14470 2.16151 2.16873 2.17703 2.18101 2.19311 2.20870 2.21092 2.22446 2.23105 2.24292 2.24873 2.27287 2.29644 2.30326 2.34329 2.34459 2.35084 2.36104 2.36897 2.38521 2.42000 2.42866 2.43879 2.44523 2.46331 2.49905 2.52306 2.53616 2.54725 2.56978 2.58288 2.58649 2.59273 2.61192 2.63570 2.64008 2.66029 2.67013 2.68029 2.69243 2.70985 2.72491 2.73095 2.74066 2.75969 2.79091 2.84291 2.95113 2.95595 2.96141 2.96898 2.97112 2.97651 2.98617 2.98678 2.99551 2.99828 3.00858 3.01186 3.01891 3.02834 3.03056 3.03409 3.03721 3.04368 3.04520 3.05229 3.06478 3.07089 3.07302 3.08266 3.09809 3.10399 3.11808 3.16600 3.16839 3.17899 3.18294 3.18556 3.19049 3.19583 3.19913 3.20380 3.21119 3.21873 3.22169 3.22612 3.23451 3.24075 3.24815 3.26154 3.47143 3.54379 3.58516 3.58916 3.59854 3.60241 3.60522 3.61449 3.62327 3.63115 3.63873 3.64469 3.66193 3.66829 3.67387 3.74775 3.75400 3.77692 3.77951 3.78579 3.79471 3.79737 3.80530 3.81337 3.82347 3.83199 3.83877 3.84621 3.86542 3.87419 3.89890 4.84201 4.85473 4.86471 4.86940 4.88320 4.90746 4.91962 4.92518 4.93029 4.93401 4.95364 4.95957 4.98389 5.03934 5.06002 5.23338 5.24591 5.26522 5.28249 5.29509 5.30075 5.31590 5.32290 5.34246 5.34857 5.37051 5.38979 5.41562 5.43646 5.47423 5.52220 5.53712 5.54894 5.55134 5.55612 5.56834 5.57357 5.59310 5.60002 5.60482 5.61904 5.62741 5.64996 5.66179 5.79589 49.72874 49.75820 49.77178 49.77921 49.78411 49.79287 49.79767 49.80175 49.80698 49.81481 49.82981 49.84108 49.85284 49.85908 49.87023 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 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 H -0.668814 0.442485 0.427691 -0.673741 0.338186 -0.674447 0.317916 0.318643 0.365776 -0.727506 0.335777 -0.731836 0.318345 -0.787547 0.424780 0.366273 -0.592702 0.416781 0.488069 -0.822539 0.414049 0.437131 -0.706268 0.309029 0.412686 -0.607039 0.294657 0.296838 -0.659825 0.354507 0.317663 -0.682949 0.419978 0.381476 -0.703385 0.301531 0.389883 -0.703114 0.378299 0.331605 -0.696063 0.377180 0.355306 0.361164 0.352161 0.391911 1.00000 0.8513 -3.1457 0.1561 3.2626 -36.2985 -51.3585 -72.8178 6.5430 -0.9276 6.0881 17.1931 2.1331 -19.3262 6.5430 -0.9276 6.0881 -136.7334 -5.2812 19.7183 83.6259 -98.2551 10.2650 48.1280 -9.1346 -39.6177 -18.8767 -1229.4712 -1619.6815 -1370.7142 169.4838 101.1434 69.2074 117.5310 -74.8839 41.4845 -705.1094 -499.3413 -442.7041 -65.7546 -24.2153 41.0217 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTILLA LAMSABHI 05-Nov-2024 0 Wavefunction 14H2OH3O CONF238 gas 1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.5542367 RMSD=1.473e-09 Dipole=-0.7012927,-0.5372002,-0.9312566 Quadrupole=11.3067062,-15.4701023,4.1633961,-0.0963982,-5.853821,2.0699518 PG=C01 [X(H31O15)] 0 -0.544104897 -0.0222872081 3.440188126 0 2.3860066811 -1.5734589841 -0.4536634418 0 -1.5841535964 0.345999387 -3.1728594785 0 3.237026902 1.2930107383 1.3701624069 0 3.0597802225 0.3985448165 0.9977678141 0 2.2395135558 -2.9154810451 -1.5472788936 0 2.8809543119 -3.3363766506 -2.1268681186 0 4.0181561064 1.2241270537 1.9299921964 0 1.3831024317 -2.8967913762 -2.0150732822 0 2.1110896493 -0.8326803708 0.1348034917 0 1.6030099134 -0.2368839481 -0.4568398103 0 -0.6995008143 0.0380258745 -3.5002612692 0 -0.648958009 0.2735808438 -4.4332859544 0 -2.5894548837 0.3816144467 0.3342730517 0 -2.1950121594 -0.534239692 0.2301880248 0 1.1710505426 -1.6645832005 1.3300733513 0 -0.6599678003 2.134325589 0.2828374986 0 -1.4330770851 1.4915943835 0.361641686 0 -0.0389719501 2.111192492 1.2013069351 0 0.905682749 1.0700417531 -1.4998138732 0 0.498869405 0.8023954983 -2.3486449507 0 1.6864220088 1.6550280855 -1.6461158 0 0.5124395913 -2.1068422513 1.9193583041 0 0.931002603 -2.8986068657 2.2738968096 0 -0.093454611 1.8007366506 -0.4771936813 0 -3.4842942435 0.1938528812 3.051444372 0 -4.0262750471 -0.5596992047 3.3165912919 0 -3.8452165469 0.9515725907 3.5285894475 0 3.102008451 2.5147792401 -1.1698812972 0 3.3374410157 2.2950409603 -0.2499364653 0 3.4210821074 3.4030058078 -1.3533429977 0 0.6945084871 2.0230023598 2.3023018512 0 0.3074094534 1.2850899952 2.8460218121 0 1.6351559085 1.8205794578 2.1216035822 0 -0.362615707 -2.5219485109 -2.5356263182 0 -0.830914092 -3.1854896653 -3.0546138612 0 -0.4818260826 -1.6648654316 -3.0020927266 0 -2.9804870409 0.8162490335 -2.36059756 0 -3.0745772464 0.7152832779 -1.3925993871 0 -3.8315261224 1.087974449 -2.7152819089 0 -1.5150632961 -1.9864766291 0.0263540843 0 -1.1571833002 -2.2487862455 -0.8405425095 0 -0.2413164295 -0.8521791043 3.0257138043 0 -0.8371692568 -2.208994789 0.6919956524 0 -1.5122449528 -0.0218410217 3.4087516074 0 -3.0985893667 0.3655640002 1.1632156223 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(H31O15)] 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5441,-.0223,3.4402;2.386,-1.5735,-.4537;-1.5842,.346,-3.1729;3.237,1.293,1.3702;3.0598,.3985,.9978;2.2395,-2.9155,-1.5473;2.881,-3.3364,-2.1269;4.0182,1.2241,1.93;1.3831,-2.8968,-2.0151;2.1111,-.8327,.1348;1.603,-.2369,-.4568;-.6995,.038,-3.5003;-.649,.2736,-4.4333;-2.5895,.3816,.3343;-2.195,-.5342,.2302;1.1711,-1.6646,1.3301;-.66,2.1343,.2828;-1.4331,1.4916,.3616;-.039,2.1112,1.2013;.9057,1.07,-1.4998;.4989,.8024,-2.3486;1.6864,1.655,-1.6461;.5124,-2.1068,1.9194;.931,-2.8986,2.2739;-.0935,1.8007,-.4772;-3.4843,.1939,3.0514;-4.0263,-.5597,3.3166;-3.8452,.9516,3.5286;3.102,2.5148,-1.1699;3.3374,2.295,-.2499;3.4211,3.403,-1.3533;.6945,2.023,2.3023;.3074,1.2851,2.846;1.6352,1.8206,2.1216;-.3626,-2.5219,-2.5356;-.8309,-3.1855,-3.0546;-.4818,-1.6649,-3.0021;-2.9805,.8162,-2.3606;-3.0746,.7153,-1.3926;-3.8315,1.088,-2.7153;-1.5151,-1.9865,.0264;-1.1572,-2.2488,-.8405;-.2413,-.8522,3.0257;-.8372,-2.209,.692;-1.5122,-.0218,3.4088;-3.0986,.3656,1.1632; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/gas/CONF238/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 14H2OH3O CONF238 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 46 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 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 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 954 A 864 A 864 1211 954 75 75 1467.9069696318 46 46 46 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) -0.0475837420 0.000000 5.114075 0.000000 6.704456 5.180784 0.000000 4.506881 3.502460 6.691761 0.000000 4.373843 2.539571 6.242036 0.984969 0.000000 6.402650 1.737377 5.282064 5.217078 4.258270 0.000000 7.328461 2.480416 5.881427 5.812679 4.872881 0.961521 0.000000 4.964722 4.021469 7.628635 0.963492 1.571341 5.691339 6.208827 0.000000 6.460401 2.279260 4.545412 5.696604 4.769455 0.976023 1.565022 6.284029 0.000000 4.316522 0.985203 5.097523 2.704147 1.777818 2.680290 3.460686 3.330174 3.067978 0.000000 4.454546 1.549041 4.227828 2.889382 2.154491 2.961263 3.745530 3.696546 3.090560 0.981407 0.000000 6.942451 4.625905 0.992295 6.386882 5.873196 4.601646 5.108078 7.290458 3.893093 4.676670 3.826166 0.000000 7.879729 5.334788 1.571149 7.058338 6.577743 5.180967 5.550823 7.948384 4.475297 5.450607 4.598267 0.963626 0.000000 3.740762 5.403552 3.648545 5.987621 5.688090 6.142476 7.057340 6.849574 5.661147 4.858952 4.311051 4.288780 5.148477 0.000000 3.645777 4.746932 3.567731 5.843409 5.391856 5.338044 6.258843 6.677174 4.840016 4.317485 3.871098 4.059593 4.979041 1.002600 0.000000 3.176709 2.160125 5.648893 3.607939 2.816775 3.314440 4.203464 4.100068 3.571178 1.733322 2.327654 5.452520 6.347064 4.395446 3.717230 0.000000 3.825345 4.854695 3.999259 4.132391 4.166604 6.103840 6.947906 5.042462 5.896327 4.062487 3.360182 4.325260 5.069942 2.607214 3.079022 4.345232 0.000000 3.543947 4.964340 3.718590 4.781885 4.667460 6.046008 6.936343 5.678662 5.730408 4.244388 3.588227 4.191097 5.008965 1.603126 2.168370 4.204854 1.008470 0.000000 3.133606 4.711274 4.963550 3.380843 3.546386 6.165522 7.019881 4.216415 6.119420 3.798234 3.310441 5.180643 5.957981 3.201273 3.548224 3.967016 1.108944 1.741398 0.000000 5.262954 3.205290 3.085872 3.704274 3.365852 4.203064 4.869437 4.634091 4.028546 2.783044 1.811661 2.764681 3.414164 4.006719 3.896272 3.944218 2.600348 3.018695 3.045065 0.000000 5.939569 3.577279 2.286178 4.644108 4.233183 4.182659 4.780476 5.556075 3.818000 3.382343 2.424491 1.829364 2.437802 4.112524 3.961562 4.480042 3.168855 3.398980 3.821568 0.978594 0.000000 5.801648 3.512049 3.839423 3.410772 3.233417 4.604914 5.154818 4.290828 4.576810 3.088804 2.236217 3.427124 3.889822 4.881255 4.835177 4.488110 3.075082 3.713364 3.360489 0.986492 1.621977 0.000000 2.788293 3.070176 6.028500 4.391354 3.689883 3.956546 4.847016 4.835858 4.106315 2.713633 3.214406 5.953279 6.882685 4.280965 3.557621 0.988240 4.694704 4.377244 4.314101 4.683799 5.165240 5.314368 0.000000 3.436480 3.363427 6.820604 4.868690 4.126913 4.039043 4.833289 5.161949 4.312733 3.199434 3.872116 6.680064 7.585865 5.188026 4.420288 1.572018 5.641446 5.340361 5.214345 5.476468 5.937344 6.055803 0.963215 0.000000 4.344235 4.187300 3.406620 3.842215 3.752938 5.369407 6.161044 4.799205 5.158688 3.488473 2.651472 3.551532 4.276851 2.983690 3.220101 4.107752 1.004921 1.610529 1.707839 1.605597 2.202240 2.134378 4.623823 5.540924 0.000000 2.973643 7.061841 6.509658 7.015056 6.861807 7.973593 8.932739 7.655448 7.675496 6.392878 6.194696 7.120688 8.004166 2.866882 3.186197 5.299919 4.405387 3.623074 4.355393 6.383851 6.737721 7.137115 4.748547 5.446350 5.150840 0.000000 3.525563 7.507322 6.992655 7.744461 7.517137 8.274482 9.222310 8.355691 7.946698 6.918492 6.784677 7.608823 8.494776 3.441620 3.588880 5.672673 5.271950 4.434434 5.244681 7.083645 7.377475 7.884693 4.994581 5.579633 5.952440 0.965343 0.000000 3.442899 7.814235 7.098489 7.411718 7.374949 8.817170 9.778143 8.028850 8.536827 7.083708 6.854141 7.754666 8.606230 3.479288 3.976212 6.069652 4.698896 4.017412 4.609605 6.918809 7.309940 7.607329 5.561717 6.261821 5.553656 0.965438 1.536772 0.000000 6.401843 4.211807 5.538560 2.821838 3.029676 5.511266 5.933019 3.480564 5.740565 3.726876 3.213577 5.100632 5.453671 6.261440 6.270178 5.238840 4.050630 4.894841 3.956156 2.649522 3.331377 1.723327 6.132589 6.773302 3.346738 8.160004 8.966230 8.531306 0.000000 5.835532 3.988988 6.046845 1.907582 2.287042 5.480701 5.953496 2.522364 5.821535 3.381509 3.075988 5.652931 6.121935 6.255445 6.232446 4.782081 4.035958 4.876207 3.679684 2.996042 3.832761 2.254949 5.662424 6.255770 3.473763 7.864488 8.665678 8.226344 0.974686 0.000000 7.101639 5.161977 6.140709 3.450136 3.832107 6.430940 6.805098 3.985511 6.654224 4.676719 4.166282 5.736859 5.987034 6.935662 7.039175 6.159856 4.576200 5.491587 4.490767 3.433862 4.036475 2.479957 7.037699 7.685551 3.960666 8.796877 9.642326 9.090758 0.961464 1.565914 0.000000 2.648048 4.836429 6.162956 2.804670 3.152012 6.449413 7.288418 3.438524 6.581661 3.854825 3.680397 6.289128 7.087561 4.165538 4.379780 3.843255 2.434181 2.928340 1.325881 3.925406 4.812428 4.087701 4.151555 4.927370 2.897565 4.622704 5.475849 4.822950 4.253699 3.684158 4.764699 0.000000 1.669535 4.835265 6.378623 3.280378 3.431844 6.378002 7.260215 3.822626 6.501961 3.884446 3.860554 6.545559 7.411215 3.939159 4.051501 3.427032 2.868263 3.040408 1.872835 4.392091 5.220557 4.713579 3.522208 4.268432 3.386790 3.950951 4.733445 4.221544 5.044740 4.448151 5.640496 0.994983 0.000000 3.143883 4.326115 6.369433 1.846343 2.305373 6.021313 6.796743 2.463972 6.279269 3.348683 3.298872 6.342987 7.111748 4.807547 4.877788 3.603925 2.957548 3.552429 1.932383 3.769629 4.723449 3.771703 4.089748 4.773861 3.121255 5.451570 6.256638 5.724444 3.669801 2.957548 4.215312 0.979002 1.604507 0.000000 6.480093 3.576189 3.181721 6.539612 5.720747 2.811188 3.369143 7.291501 1.859843 4.012984 3.661497 2.756353 3.390883 4.650356 3.867608 4.246274 5.450967 5.064442 5.961159 3.947643 3.439241 4.736762 4.559048 4.994680 4.795331 6.952396 7.177832 7.808237 6.263985 6.489852 7.128762 6.721580 6.626056 6.673712 0.000000 7.229838 4.439838 3.612861 7.495582 6.663678 3.431106 3.829027 8.234349 2.462897 4.935938 4.622412 3.256827 3.728138 5.225060 4.436194 5.054355 6.282375 5.823102 6.840678 4.852084 4.262622 5.634843 5.263884 5.619580 5.661218 7.466213 7.595878 8.339057 7.177267 7.434892 8.023844 7.625736 7.489951 7.611534 0.963814 0.000000 6.648678 3.837618 2.299536 6.457206 5.727087 3.329596 3.855938 7.274722 2.443319 4.154018 3.586640 1.787566 2.415330 4.445393 3.828963 4.636773 5.025570 4.709865 5.667742 3.414929 2.734252 4.190664 5.040296 5.599488 4.305386 7.008207 7.328730 7.797945 5.802611 6.151587 6.605633 6.566638 6.597391 6.548450 0.983053 1.561063 0.000000 6.347300 6.176274 1.682454 7.266591 6.923722 6.468052 7.187171 8.219278 5.739945 5.905095 5.073640 2.665964 3.166473 2.757561 3.025386 6.083654 3.756313 3.203304 4.797557 3.988443 3.479405 4.795214 6.250042 7.111852 3.584882 5.470959 5.934423 5.953872 6.426473 6.823337 6.977533 6.058422 6.175675 6.511756 4.245874 4.595240 3.579211 0.000000 5.504828 5.994824 2.350970 6.913969 6.591246 6.437852 7.240404 7.848911 5.771089 5.623192 4.864369 3.246830 3.914653 1.824491 2.228987 5.576923 3.263604 2.524786 4.229871 3.997476 3.700153 4.859476 5.639162 6.522888 3.302010 4.493249 4.970693 4.986764 6.437235 6.701887 7.029864 5.437686 5.452378 5.979372 4.375033 4.797119 3.870134 0.977787 0.000000 7.066090 7.131329 2.410516 8.166844 7.858254 7.365420 8.060925 9.122205 6.600076 6.864880 6.032412 3.395315 3.707225 3.367710 3.739726 6.997660 4.488023 3.922107 5.547081 4.890688 4.355262 5.649108 7.110329 7.966581 4.414776 5.845952 6.255897 6.245376 7.245546 7.676524 7.733988 6.821687 6.935254 7.335992 5.009707 5.232716 4.345213 0.961199 1.568872 0.000000 4.056484 3.952132 3.959821 5.928172 5.249873 4.175670 5.077752 6.674454 3.659981 3.806835 3.607898 4.147381 5.074090 2.618585 1.616438 3.003083 4.216395 3.495156 4.511125 4.187064 4.180234 5.129056 2.776458 3.444803 4.076459 4.216975 4.378075 5.131023 6.558173 6.477231 7.437447 5.112540 4.687759 5.367274 2.859827 3.376101 3.215976 3.962357 3.427101 4.725973 0.000000 4.863930 3.627663 3.514956 6.061405 5.307592 3.532918 4.375390 6.820640 2.872714 3.693002 3.437098 3.537384 4.419099 3.217235 2.272273 3.236285 4.552019 3.938504 4.942566 3.962912 3.785049 4.896407 3.228752 3.805591 4.202639 5.150679 5.326018 6.046250 6.398495 6.418476 7.291518 5.617331 5.312633 5.755971 1.891894 2.426103 2.338668 3.876783 3.573076 4.669125 0.973855 0.000000 0.975802 4.419178 6.454545 4.409259 4.071132 5.596784 6.516818 4.863616 5.677034 3.727138 3.988522 6.602329 7.554481 3.778869 3.425343 2.351590 4.076500 3.743107 3.485825 5.048855 5.671792 5.641654 1.834762 2.475364 4.396611 3.407602 3.807370 4.061342 6.333818 5.782939 7.120105 3.108981 2.213890 3.388540 5.807869 6.539293 6.087097 6.268896 5.477755 7.043638 3.450394 4.211563 0.000000 3.524222 3.479268 4.692876 5.415074 4.698827 3.870330 4.800149 6.073973 3.568038 3.301051 3.341185 4.758474 5.697992 3.147972 2.204951 2.176344 4.366147 3.762792 4.422729 4.312035 4.483187 5.173582 1.827101 2.470710 4.242412 4.283450 4.447367 5.204210 6.426332 6.212966 7.335575 4.780055 4.261281 4.938992 3.277298 3.871778 3.750818 4.802524 4.231186 5.607648 0.975773 1.566099 2.764458 0.000000 0.968650 5.702818 6.592274 5.332941 5.185844 6.856463 7.805731 5.858712 6.787212 4.950227 4.969291 6.956910 7.894941 3.282617 3.291199 3.770886 3.891885 3.403180 3.404876 5.579659 6.153987 6.212491 3.265711 3.941210 4.520545 2.015731 2.572573 2.530741 6.977797 6.501799 7.664518 3.205523 2.309951 3.867479 6.550406 7.228276 6.697777 6.011948 5.102667 6.641878 3.911574 4.810598 1.565707 3.552482 0.000000 3.443897 6.037789 4.592978 6.406482 6.160680 6.826960 7.764274 7.209240 6.389839 5.443728 5.009247 5.254610 6.109827 0.972945 1.580076 4.730662 3.138544 2.164347 3.522773 4.860269 5.046355 5.696613 4.441179 5.303398 3.712344 1.934854 2.520663 2.548696 6.964903 6.866030 7.620055 4.293275 3.908733 5.044197 5.431824 5.961746 5.321643 3.554479 2.579742 4.012707 3.054849 3.823471 3.621575 3.458963 2.776509 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9454,1.5286,1.0402;2.0905,.9834,1.7446;1.3538,-2.8477,-1.6642;.8468,3.6515,-.1533;1.142,2.9959,.5199;3.015,-.2123,2.6014;3.922,-.2063,2.9204;.9295,4.5273,.2396;2.8216,-1.1102,2.2712;1.3652,1.3687,1.2004;1.4064,.8637,.36;2.2087,-2.4781,-1.3217;2.9151,-2.8837,-1.8366;-1.9501,-1.6108,-.7336;-1.4913,-1.695,.1539;-.0226,1.0478,2.1881;-.9288,.4174,-2.0146;-1.3905,-.3416,-1.5374;-1.2264,1.3916,-1.5762;1.5693,.2116,-1.3224;1.9913,-.6649,-1.4287;2.0951,.9181,-1.7668;-.8266,.7323,2.6684;-.7175,.9682,3.5959;.055,.2961,-1.8495;-4.5534,-.8147,.1653;-4.9936,-1.3346,.8493;-5.2515,-.5506,-.4471;2.5147,2.5466,-2.1433;1.9981,3.1643,-1.5942;2.7321,2.9928,-2.9668;-1.5816,2.53,-.9968;-2.1365,2.2885,-.207;-.8171,3.0611,-.6935;2.0518,-2.5785,1.4283;2.2403,-3.4537,1.7854;2.209,-2.6306,.4593;-.2173,-3.2701,-2.0931;-.9968,-2.8303,-1.6995;-.5285,-4.0116,-2.6195;-.6996,-1.8094,1.5585;.2224,-2.1221,1.5836;-2.3217,1.2311,1.7292;-.7412,-1.005,2.1091;-3.5381,.7867,.8493;-2.9005,-1.5302,-.5415; 0.2743228 0.2580763 0.2133291 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= 864 RedAO= T EigKep= 7.99D-05 NBF= 864 NBsUse= 864 1.00D-06 EigRej= -1.00D+00 NBFU= 864 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= 917 910 911 911 917 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.56708502555 -1147.59716545520 -0.030080429657 -1147.59730691005 -0.000141454844 -1147.59738015548 -0.000073245434 -1147.59739651025 -0.000016354771 -1147.59739684401 -0.000000333759 -1147.59739692037 -0.000000076357 -1147.59739692504 -0.000000004668 -1147.59739692514 -0.000000000101 -1147.59739692522 -0.000000000086 -1147.59739693 10 1.143754010348e+03 -5.632606403666e+03 1.873395610503e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11322783408 LenY= 11321872338 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. PT4466.500S Tue Nov 5 13:53:51 2024 -19.27849 -19.27158 -19.25904 -19.25464 -19.25247 -19.24843 -19.24509 -19.24195 -19.24065 -19.23996 -19.23683 -19.23604 -19.23386 -19.22143 -19.22130 -1.17983 -1.16552 -1.15295 -1.14577 -1.14113 -1.13813 -1.13714 -1.13372 -1.12668 -1.12484 -1.12126 -1.11878 -1.11197 -1.10655 -1.10345 -0.68512 -0.68248 -0.67916 -0.67763 -0.67235 -0.66675 -0.66487 -0.66359 -0.66062 -0.65500 -0.65123 -0.64800 -0.64722 -0.64175 -0.63840 -0.63680 -0.56580 -0.56091 -0.55425 -0.55071 -0.54219 -0.53355 -0.51952 -0.51833 -0.51507 -0.50944 -0.50170 -0.49486 -0.48959 -0.48793 -0.47820 -0.46729 -0.46020 -0.45341 -0.45042 -0.44903 -0.44729 -0.44378 -0.44077 -0.43649 -0.43538 -0.43159 -0.42963 -0.42193 -0.41832 -0.12056 -0.10578 -0.09293 -0.08116 -0.06934 -0.05769 -0.05406 -0.05024 -0.03870 -0.02668 -0.02261 -0.01581 -0.00751 -0.00246 -0.00112 0.00868 0.01020 0.01549 0.01649 0.02029 0.02905 0.03337 0.03584 0.04031 0.04392 0.04559 0.04870 0.05409 0.05857 0.06312 0.06597 0.06916 0.07546 0.07786 0.08540 0.08751 0.09297 0.09356 0.09768 0.10516 0.10586 0.10844 0.11246 0.11360 0.12009 0.12458 0.13067 0.13218 0.14070 0.14096 0.14169 0.14745 0.14981 0.15153 0.15778 0.16240 0.16351 0.16588 0.16992 0.17271 0.17381 0.17914 0.18038 0.18807 0.18903 0.19066 0.19839 0.20430 0.20711 0.21290 0.21790 0.22138 0.22786 0.23358 0.24516 0.24679 0.25443 0.26058 0.26975 0.28383 0.29496 0.30961 0.31357 0.32080 0.32493 0.33574 0.33763 0.34825 0.35395 0.36062 0.36891 0.37471 0.38046 0.38330 0.39043 0.39765 0.40366 0.40713 0.41277 0.41361 0.42101 0.42384 0.43037 0.43448 0.43945 0.44542 0.45162 0.45546 0.45843 0.46461 0.47041 0.47846 0.48247 0.48497 0.49107 0.49451 0.49981 0.50615 0.50946 0.51397 0.52405 0.52660 0.52865 0.53886 0.54148 0.54936 0.55315 0.55996 0.56624 0.56876 0.57518 0.58024 0.59059 0.59429 0.60051 0.61452 0.62890 0.63330 0.63457 0.64015 0.65356 0.66072 0.66967 0.67431 0.68285 0.68861 0.68992 0.69875 0.70177 0.71260 0.71586 0.71733 0.72236 0.72759 0.73477 0.73903 0.74740 0.75209 0.75443 0.76194 0.76607 0.76713 0.76997 0.77631 0.77855 0.78386 0.78672 0.79344 0.79712 0.80409 0.81063 0.81513 0.81639 0.82543 0.82864 0.83228 0.83582 0.83726 0.84303 0.85239 0.85381 0.85810 0.86595 0.86861 0.87117 0.87581 0.87761 0.88331 0.89240 0.89682 0.89914 0.90275 0.90762 0.91016 0.91634 0.92481 0.92658 0.93317 0.93650 0.94493 0.95343 0.95446 0.96065 0.96697 0.96834 0.97054 0.97737 0.97943 0.98289 0.99154 0.99240 0.99660 1.00327 1.00771 1.01091 1.01842 1.01959 1.02798 1.03137 1.04359 1.05071 1.05217 1.05617 1.06080 1.06681 1.07402 1.07864 1.08400 1.08937 1.09581 1.09978 1.10740 1.10823 1.11040 1.11960 1.12582 1.13294 1.13565 1.14155 1.14417 1.14801 1.15734 1.16084 1.16634 1.17350 1.17824 1.18450 1.18917 1.19827 1.19963 1.20522 1.21236 1.22432 1.23118 1.23830 1.23979 1.24786 1.25514 1.26362 1.26946 1.27301 1.28088 1.28540 1.29137 1.31171 1.31496 1.32095 1.32649 1.33345 1.34159 1.35069 1.35337 1.36946 1.37767 1.37990 1.38659 1.38892 1.40318 1.40898 1.41317 1.42028 1.42207 1.43293 1.43793 1.44324 1.44425 1.45678 1.46180 1.46793 1.47408 1.48662 1.49267 1.49709 1.50577 1.51159 1.52595 1.53201 1.54259 1.54918 1.56361 1.56931 1.57572 1.58129 1.60692 1.61556 1.63513 1.63830 1.64700 1.65851 1.66069 1.67538 1.69122 1.70696 1.72240 1.72487 1.73954 1.76732 1.77561 1.78177 1.80028 1.82870 1.83586 1.84633 1.87290 1.89063 1.90567 1.91775 1.95084 1.96782 1.98522 2.00317 2.02374 2.02986 2.04049 2.04651 2.05987 2.07364 2.08532 2.09322 2.11490 2.13503 2.15714 2.16102 2.16454 2.18931 2.20488 2.21180 2.23614 2.26797 2.31877 2.58384 2.60455 2.61074 2.61643 2.61865 2.62776 2.63825 2.65452 2.66363 2.67474 2.67871 2.68458 2.71027 2.71768 2.72642 2.73152 2.74351 2.75062 2.77533 2.78265 2.79786 2.81550 2.83457 2.86022 2.88903 2.90362 2.92165 2.92893 2.94327 2.95945 2.97222 2.98258 3.00582 3.01901 3.03634 3.03834 3.05384 3.07125 3.08380 3.08804 3.09549 3.10627 3.10919 3.12883 3.13677 3.14197 3.15089 3.15963 3.17543 3.18269 3.18793 3.18964 3.19286 3.20202 3.20803 3.21630 3.22390 3.23226 3.23814 3.24288 3.25357 3.26152 3.26677 3.27037 3.27316 3.28158 3.28465 3.29508 3.29824 3.30301 3.30539 3.31573 3.31920 3.32946 3.33261 3.34282 3.34709 3.35002 3.35638 3.35761 3.37283 3.37652 3.38031 3.38409 3.38550 3.39313 3.40164 3.40294 3.40796 3.41083 3.41828 3.42320 3.42419 3.43898 3.44352 3.44842 3.46474 3.47272 3.47895 3.48668 3.51276 3.51626 3.52136 3.55408 3.57061 3.57296 3.58323 3.66543 3.67528 3.69953 3.70573 3.74368 3.74972 3.75098 3.76845 3.80232 3.83139 3.83841 3.84719 3.86339 3.87255 3.88075 3.88742 3.89752 3.90568 3.91082 3.91827 3.92478 3.93648 3.96004 3.96987 3.97870 3.98468 3.99936 4.00465 4.01061 4.01994 4.02726 4.03972 4.04514 4.05482 4.06635 4.07887 4.08674 4.09333 4.10944 4.12401 4.13548 4.15413 4.16735 4.18577 4.20183 4.20851 4.22078 4.23139 4.24846 4.25919 4.26523 4.27981 4.28659 4.28932 4.29821 4.30763 4.33013 4.33229 4.35283 4.38028 4.41938 4.43174 4.43334 4.51870 4.52745 4.53494 4.53632 4.54489 4.54880 4.55363 4.57913 4.60298 4.62029 4.62399 4.63505 4.64619 4.64919 4.68987 4.71505 4.73269 4.73578 4.74292 4.75070 4.76185 4.76432 4.77948 4.78520 4.78793 4.79606 4.81766 4.81937 4.83420 4.90762 4.91818 4.95361 4.95862 4.96882 4.97319 4.99561 5.02780 5.03688 5.05212 5.06101 5.06341 5.06645 5.07287 5.08694 5.08836 5.09357 5.10255 5.10325 5.10632 5.11363 5.12152 5.12733 5.13484 5.14250 5.14316 5.14965 5.15055 5.15393 5.16018 5.16545 5.17062 5.17834 5.18988 5.19311 5.19473 5.20606 5.21223 5.22653 5.23282 5.23637 5.24125 5.24837 5.25612 5.26011 5.26415 5.26986 5.27426 5.28545 5.29293 5.30062 5.31315 5.31616 5.32614 5.32817 5.33640 5.34572 5.35247 5.36034 5.36351 5.36501 5.36749 5.37707 5.38636 5.38924 5.39359 5.40024 5.40670 5.41568 5.42110 5.42273 5.42701 5.43770 5.44669 5.44746 5.45404 5.45870 5.46015 5.46478 5.46783 5.47519 5.47589 5.48785 5.49495 5.49904 5.50074 5.51224 5.52390 5.53038 5.53851 5.55080 5.55389 5.56099 5.58765 5.59587 5.59917 5.60902 5.62036 5.63011 5.64154 5.64756 5.65831 5.66311 5.68006 5.69249 5.69685 5.70636 5.71017 5.72384 5.73284 5.73738 5.74878 5.75877 5.76920 5.77404 5.80470 5.80805 5.85466 5.86833 6.57835 6.74795 6.80272 6.82029 6.82383 6.83487 6.83923 6.85201 6.85271 6.85462 6.87305 6.88382 6.88694 6.90381 6.90926 6.91714 6.92284 6.92476 6.92736 6.92946 6.94351 6.94560 6.95622 6.96664 6.98211 6.99863 7.02171 7.03756 7.05267 7.05520 7.09234 14.22761 14.23243 14.23540 14.24234 14.24881 14.25126 14.25604 14.26482 14.26953 14.27730 14.28022 14.28170 14.28589 14.29157 14.29202 14.29720 14.29799 14.30171 14.30642 14.31155 14.31713 14.31859 14.32058 14.32742 14.33664 14.34303 14.34510 14.34904 14.35046 14.35567 14.35978 14.36377 14.37048 14.37391 14.38420 14.38976 14.39232 14.40074 14.40355 14.40793 14.41712 14.42597 14.43390 14.43839 14.44323 14.51845 14.54598 14.55857 14.56042 14.56787 14.57117 14.57717 14.58051 14.58689 14.59016 14.59856 14.60708 14.61329 14.63418 14.70631 14.83411 14.89485 14.90055 14.91609 14.92715 14.92910 14.93353 14.93738 14.93960 14.96857 14.97681 14.97770 14.98100 14.98269 14.98701 49.84015 49.87750 49.88994 49.89897 49.91316 49.91338 49.91789 49.93202 49.93497 49.94900 49.96463 49.97238 49.99061 49.99194 50.02771 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 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 H -0.666386 0.428441 0.458989 -0.660862 0.381905 -0.638351 0.252887 0.276397 0.383786 -0.802304 0.421249 -0.727668 0.276376 -0.870377 0.534715 0.432953 -0.832075 0.522014 0.628490 -0.830125 0.402176 0.420447 -0.714549 0.268998 0.517226 -0.522880 0.260895 0.261315 -0.606019 0.359718 0.254593 -0.756950 0.452269 0.369672 -0.693579 0.265045 0.428849 -0.627863 0.371954 0.255363 -0.738366 0.373876 0.358464 0.370522 0.329800 0.368971 1.00000 0.7094 -2.9498 0.0662 3.0346 -36.6270 -51.4339 -72.1641 6.1105 -0.9125 5.7826 16.7814 1.9744 -18.7558 6.1105 -0.9125 5.7826 -134.2614 -3.7180 19.3128 80.3698 -93.9994 9.1050 46.8435 -8.5392 -38.9382 -17.6028 -1253.1250 -1626.0171 -1363.4861 163.4791 96.4410 61.9624 112.4380 -71.4536 41.0478 -703.3440 -497.9459 -444.1859 -64.5893 -24.4047 40.1270 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTILLA LAMSABHI 05-Nov-2024 0 Single Point 14H2OH3O CONF238 gas 1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.5973969 RMSD=1.094e-09 Dipole=-0.6857671,-0.4695901,-0.8571223 Quadrupole=10.7641684,-14.9450495,4.1808811,-0.0751744,-5.7417246,2.0957799 PG=C01 [X(H31O15)] 0 -0.544104897 -0.0222872081 3.440188126 0 2.3860066811 -1.5734589841 -0.4536634418 0 -1.5841535964 0.345999387 -3.1728594785 0 3.237026902 1.2930107383 1.3701624069 0 3.0597802225 0.3985448165 0.9977678141 0 2.2395135558 -2.9154810451 -1.5472788936 0 2.8809543119 -3.3363766506 -2.1268681186 0 4.0181561064 1.2241270537 1.9299921964 0 1.3831024317 -2.8967913762 -2.0150732822 0 2.1110896493 -0.8326803708 0.1348034917 0 1.6030099134 -0.2368839481 -0.4568398103 0 -0.6995008143 0.0380258745 -3.5002612692 0 -0.648958009 0.2735808438 -4.4332859544 0 -2.5894548837 0.3816144467 0.3342730517 0 -2.1950121594 -0.534239692 0.2301880248 0 1.1710505426 -1.6645832005 1.3300733513 0 -0.6599678003 2.134325589 0.2828374986 0 -1.4330770851 1.4915943835 0.361641686 0 -0.0389719501 2.111192492 1.2013069351 0 0.905682749 1.0700417531 -1.4998138732 0 0.498869405 0.8023954983 -2.3486449507 0 1.6864220088 1.6550280855 -1.6461158 0 0.5124395913 -2.1068422513 1.9193583041 0 0.931002603 -2.8986068657 2.2738968096 0 -0.093454611 1.8007366506 -0.4771936813 0 -3.4842942435 0.1938528812 3.051444372 0 -4.0262750471 -0.5596992047 3.3165912919 0 -3.8452165469 0.9515725907 3.5285894475 0 3.102008451 2.5147792401 -1.1698812972 0 3.3374410157 2.2950409603 -0.2499364653 0 3.4210821074 3.4030058078 -1.3533429977 0 0.6945084871 2.0230023598 2.3023018512 0 0.3074094534 1.2850899952 2.8460218121 0 1.6351559085 1.8205794578 2.1216035822 0 -0.362615707 -2.5219485109 -2.5356263182 0 -0.830914092 -3.1854896653 -3.0546138612 0 -0.4818260826 -1.6648654316 -3.0020927266 0 -2.9804870409 0.8162490335 -2.36059756 0 -3.0745772464 0.7152832779 -1.3925993871 0 -3.8315261224 1.087974449 -2.7152819089 0 -1.5150632961 -1.9864766291 0.0263540843 0 -1.1571833002 -2.2487862455 -0.8405425095 0 -0.2413164295 -0.8521791043 3.0257138043 0 -0.8371692568 -2.208994789 0.6919956524 0 -1.5122449528 -0.0218410217 3.4087516074 0 -3.0985893667 0.3655640002 1.1632156223