Gaussian 16 GINC-HORCAJUELO LAMSABHI Optimization 15-agua-BF3/ CONF40 water EM64L-G16RevC.01 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 49 49 91 91 598 (5D, 7F) 6-311+G(d,p) 141 141 C1[X(BF3H30O15)] C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 307.7972096 0 1 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5336,2.0412,-.1942;-1.2639,2.4778,-1.3336;.6636,2.7655,-.1338;-1.3076,2.3659,.9484;-.2483,.6329,-.2652;-4.656,1.1814,-1.8764;-.458,-.6388,1.1646;-.7694,1.1785,-4.0123;-.8495,1.6138,-3.1558;.6362,-3.047,.0291;.234,-2.8446,-.9217;-1.5976,.6985,-4.108;.1224,-2.478,.6971;-3.9156,1.1367,-2.4908;-3.3476,1.87,-2.2298;-.6294,-1.4787,1.6309;-.2142,-1.3763,2.5287;3.0465,-1.1183,2.6678;2.9931,-.1491,2.4687;3.8704,-1.2392,3.1511;.5667,-1.0646,3.9722;.4229,-.1032,3.9667;1.4825,-1.1631,3.6475;-.3768,-2.555,-2.2029;.214,-1.9595,-2.7313;-1.149,-1.9886,-1.9859;2.72,1.4858,2.14;1.8699,1.6417,2.5996;2.4944,1.5306,1.2052;.2646,1.7265,3.4075;-.3626,1.8983,2.6927;.1793,2.4755,4.0059;-3.3105,-1.6624,1.0057;-2.4085,-1.6373,1.3821;-3.4896,-2.5986,.8746;2.9542,-2.107,.1412;3.0485,-1.8105,1.0762;2.8271,-1.273,-.3646;1.1337,-.8123,-3.5995;1.6497,-.4478,-2.8567;.468,-.1186,-3.7821;2.2473,.1189,-1.2327;2.7351,.9464,-1.1661;1.3535,.309,-.8627;-2.3024,-.8136,-1.3863;-2.7636,-1.106,-.5683;-.9538,.1337,-.7356;-2.8997,-.1783,-1.8331;1.6194,-2.6922,.059; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6372171/Gau-304453.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6372171/" chk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF40/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 15-agua-BF3/ CONF40 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 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 11.0093053 18.9984033 18.9984033 18.9984033 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 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 1 1 1 1 5 5 6 7 8 8 8 10 10 10 11 13 14 14 16 16 17 18 18 18 18 19 21 21 22 24 24 25 26 27 27 28 30 30 33 33 33 36 36 36 38 39 39 40 42 42 45 45 45 2 3 4 5 44 47 14 16 9 12 41 11 13 49 24 16 15 48 17 34 21 19 20 23 37 27 22 23 30 25 26 39 45 28 29 30 31 32 34 35 46 37 38 49 42 40 41 42 43 44 46 47 48 1.422 1.4005 1.4177 1.4387 1.74 0.984 0.9633 0.9758 0.9641 0.9619 1.8073 1.052 1.0168 1.0457 1.4486 1.5607 0.9636 1.7871 0.9945 1.8034 1.6705 0.9909 0.9628 1.8462 1.7356 1.6898 0.972 0.9766 1.9198 0.9914 0.9819 1.7076 1.7523 0.9788 0.9627 1.7992 0.9663 0.9625 0.9777 0.9621 1.7568 0.9854 0.9836 1.4598 1.7399 0.9751 0.9786 1.8209 0.9629 0.9858 0.9834 1.7719 0.9798 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 2 3 3 4 1 1 44 9 9 12 11 11 13 6 6 15 7 7 7 13 13 17 19 19 19 20 20 23 17 17 22 21 11 11 25 19 19 28 22 22 22 28 28 31 34 34 35 16 37 37 38 25 25 40 38 38 38 40 40 43 26 26 26 46 46 47 1 1 1 1 1 1 5 5 5 8 8 8 10 10 10 14 14 14 16 16 16 16 16 16 18 18 18 18 18 18 21 21 21 22 24 24 24 27 27 27 30 30 30 30 30 30 33 33 33 34 36 36 36 39 39 39 42 42 42 42 42 42 45 45 45 45 45 45 3 4 5 4 5 5 44 47 47 12 41 41 13 49 49 15 48 48 13 17 34 17 34 34 20 23 37 23 37 37 22 23 23 30 25 26 26 28 29 29 28 31 32 31 32 32 35 46 46 33 38 49 49 40 41 41 40 43 44 43 44 44 46 47 48 47 48 48 108.3469 107.1621 111.2727 108.2714 109.8064 111.8519 112.4416 112.2114 113.6714 104.012 105.5276 104.1243 107.0322 108.6646 105.4572 104.1823 103.6717 97.1917 100.408 105.6279 100.5484 113.8885 109.6567 123.0584 105.6488 94.8554 101.8851 117.0952 114.166 118.5512 96.3431 97.6007 103.6829 163.0276 109.8853 104.5584 103.8788 101.7189 105.7729 104.1827 90.7019 116.0071 124.6074 104.7927 113.2567 105.3079 104.434 92.8375 104.1241 164.912 104.1967 105.1633 101.1184 98.5551 101.8137 103.715 107.7809 118.9536 105.6123 119.7036 95.5798 105.5211 113.1928 89.0344 132.8407 102.1474 106.6382 106.5458 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 10 10 16 18 18 24 24 27 18 36 39 8 5 33 5 14 10 10 10 16 18 18 24 24 27 18 36 39 8 5 33 5 14 10 11 13 17 19 23 25 26 28 37 38 40 41 44 46 47 48 49 11 13 17 19 23 25 26 28 37 38 40 41 44 46 47 48 49 24 16 21 27 21 39 45 30 36 42 42 39 42 45 45 45 36 24 16 21 27 21 39 45 30 36 42 42 39 42 45 45 45 36 1 8 3 6 1 1 8 1 1 7 2 3 8 4 2 1 1 1 8 3 6 1 1 8 1 1 7 2 3 8 4 2 1 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 179.0671 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 174.7597 174.1211 174.6525 165.6559 175.2794 178.4155 178.8925 171.8986 169.5499 171.9561 176.9111 178.1091 176.3201 182.8727 173.0553 176.2445 182.3873 182.6653 181.2991 176.6374 178.3518 182.7046 191.8952 173.2263 180.2512 186.0986 167.9459 178.4319 180.776 170.8595 186.7114 177.1543 178.2253 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 2 2 3 3 4 4 1 1 1 47 47 47 1 1 1 44 44 44 9 9 12 12 11 11 11 49 49 49 13 13 49 49 11 11 13 13 6 6 6 15 15 15 7 7 13 13 34 34 7 13 17 19 19 20 20 37 37 20 20 23 23 37 37 19 19 20 20 23 23 17 23 21 21 21 11 11 26 26 11 11 11 25 25 25 19 19 19 29 29 29 35 46 34 34 34 35 35 35 37 37 37 49 49 49 25 25 25 41 41 41 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 21 21 22 22 22 24 24 24 24 24 24 24 24 24 24 27 27 27 27 27 27 33 33 33 33 33 33 33 33 36 36 36 36 36 36 39 39 39 39 39 39 5 5 5 5 5 5 42 42 42 42 42 42 45 45 45 45 45 45 39 39 39 39 16 16 16 16 16 16 24 24 24 24 36 36 36 36 45 45 45 45 45 45 21 21 21 21 21 21 34 34 34 21 21 21 21 21 21 27 27 27 27 27 27 36 36 36 36 36 36 22 22 30 30 30 39 39 39 39 45 45 45 45 45 45 30 30 30 30 30 30 34 34 45 45 45 45 45 45 42 42 42 42 42 42 42 42 42 42 42 42 44 47 44 47 44 47 38 40 43 38 40 43 26 46 48 26 46 48 25 40 25 40 7 17 34 7 17 34 25 26 25 26 37 38 37 38 26 46 47 26 46 47 22 23 22 23 22 23 33 33 33 17 22 17 22 17 22 28 29 28 29 28 29 38 49 38 49 38 49 30 30 28 31 32 40 41 40 41 46 47 48 46 47 48 22 31 32 22 31 32 16 16 26 47 48 26 47 48 40 43 44 40 43 44 38 43 44 38 43 44 97.7569 -31.8749 -22.193 -151.8247 -142.4218 87.9464 144.0124 -106.0695 16.5335 -87.5668 22.3512 144.9543 150.624 -95.8252 15.1472 18.2122 131.7629 -117.2646 75.4177 -25.8442 -33.4212 -134.6831 -53.6982 -165.1267 50.7437 60.263 -51.1655 164.7049 104.0938 -6.6807 -9.261 -120.0356 145.6155 38.0501 32.1873 -75.3781 151.3208 -0.416 -106.9606 -102.8802 105.3831 -1.1615 29.9069 -74.4712 137.219 32.841 -82.4103 173.2117 46.408 -58.7599 163.0327 89.0564 -7.4246 -161.4336 102.0854 -14.9447 -111.4257 -120.47 131.785 -1.103 -108.848 118.4995 10.7545 -3.7255 -107.7859 -116.8183 139.1213 96.8519 -7.2085 -41.2673 58.1738 -49.9721 56.891 -169.1961 -19.6768 -125.2722 90.3519 -15.2434 -43.3828 57.7286 166.2962 -155.9826 -54.8713 53.6963 2.8212 -113.7506 131.0245 111.2111 -5.3607 -120.5856 100.8299 -4.5396 61.1654 -30.3718 -141.5391 -43.5852 -135.1224 113.7103 -165.7731 50.9911 -66.2745 -59.0319 157.7323 40.4667 50.082 -166.1788 -56.6395 152.2201 -64.0407 45.4986 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 617 A 598 A 924 617 2126.9376907877 49 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= 598 RedAO= T EigKep= 7.45D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Berny optimization. local minimum Step number 39 out of a maximum of 275 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00024 0.00212 0.00226 0.00266 0.00281 0.00313 0.00338 0.00349 0.00394 0.00417 0.00466 0.00534 0.00613 0.00670 0.00737 0.00783 0.00849 0.01014 0.01131 0.01213 0.01338 0.01771 0.01813 0.02002 0.02115 0.02280 0.02516 0.02638 0.02784 0.02888 0.02990 0.03076 0.03170 0.03303 0.03422 0.03699 0.03747 0.03790 0.03947 0.04230 0.04258 0.04495 0.04596 0.04729 0.04945 0.05089 0.05193 0.05259 0.05320 0.05369 0.05698 0.05732 0.05829 0.05868 0.05962 0.06046 0.06076 0.06105 0.06164 0.06300 0.06376 0.06524 0.06565 0.06744 0.06799 0.06835 0.06894 0.07055 0.07091 0.07232 0.07268 0.07481 0.07589 0.07755 0.08007 0.08037 0.08061 0.08349 0.08502 0.08583 0.08747 0.08931 0.09379 0.09633 0.09952 0.10336 0.10577 0.11200 0.11493 0.11755 0.11796 0.12342 0.12687 0.14210 0.14719 0.15215 0.15926 0.16284 0.16899 0.19562 0.20168 0.21232 0.24787 0.25698 0.28237 0.33663 0.34624 0.37971 0.39738 0.40939 0.42080 0.43322 0.44745 0.45760 0.46199 0.47216 0.47611 0.48103 0.48620 0.49361 0.49699 0.50081 0.50465 0.51029 0.51428 0.51843 0.52030 0.52260 0.53641 0.54154 0.54603 0.54828 0.54870 0.54914 0.54941 0.55032 0.55078 0.55717 0.57960 0.75102 2.61163 -2.54094172e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 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 2.72504 2.67832 2.70805 2.70266 3.31318 1.85988 1.82466 1.85722 1.83442 1.82574 3.45014 1.95553 1.92885 1.95346 2.86780 2.94668 1.83488 3.42745 1.87081 3.38593 3.26717 1.86941 1.82443 3.50178 3.37369 3.28136 1.84731 1.84930 3.48374 1.86638 1.85504 3.34632 3.35908 1.85172 1.83161 3.46385 1.84038 1.82411 1.85560 1.82386 3.39947 1.86003 1.86138 2.86635 3.32692 1.84853 1.85352 3.46483 1.82471 1.86505 1.85640 3.40594 1.85296 1.88184 1.86178 1.95478 1.88634 1.91290 1.96295 1.92169 1.97450 2.06416 1.81349 1.88810 1.89567 1.86342 1.89209 1.84391 1.83305 1.90860 1.64676 1.73402 1.85774 1.79713 1.98365 1.88149 2.15207 1.84748 1.60488 1.79163 2.04959 2.01424 2.06052 1.66070 1.70363 1.82395 2.92867 1.92679 1.83699 1.81705 1.79728 2.01325 1.79986 1.48777 2.04894 2.17914 1.75945 2.07912 1.85109 1.83728 1.62369 1.93216 2.89641 1.81627 1.85026 1.74413 1.69790 1.72229 1.80863 1.92892 2.04638 1.83255 2.09636 1.64708 1.84124 1.96745 1.45514 2.43266 1.77076 1.86080 1.72226 3.12409 3.03317 3.04876 3.04424 2.91189 3.04287 3.15135 2.97622 2.98056 2.95006 2.96242 3.07154 3.12579 3.04947 3.21188 2.93443 3.06839 3.19674 3.18271 3.15831 3.01327 3.10471 3.19720 3.30546 3.03737 3.14117 3.23359 2.92499 3.10552 3.17135 2.98451 3.25355 3.14305 3.11411 1.69280 -0.66009 -0.39500 -2.74789 -2.49374 1.43656 2.38284 -1.94116 0.20222 -1.59438 0.36481 2.50819 2.69890 -1.62740 0.27046 0.34157 2.29844 -2.08688 1.38135 -0.34604 -0.56471 -2.29210 -0.89111 -2.83968 0.96047 1.08951 -0.85906 2.94109 1.81881 -0.12916 -0.15998 -2.10796 2.50649 0.63509 0.53476 -1.33664 2.96604 -0.11805 -1.90440 -1.46498 1.73411 -0.05225 0.57090 -1.26327 2.43179 0.59762 -1.46489 2.98412 0.52505 -1.29748 2.61806 1.51555 -0.14874 -2.88199 1.73691 -0.29127 -1.95556 -1.95620 2.40906 0.10124 -1.81669 2.16259 0.24467 -0.00130 -1.79371 -1.99401 2.49676 1.69654 -0.09587 -0.53911 1.19306 -1.06772 0.67272 3.07754 -0.29579 -2.12225 1.63748 -0.18898 -0.71245 1.00974 2.61888 -2.70411 -0.98192 0.62721 0.01902 -2.02219 2.25762 2.07674 0.03553 -1.96784 2.10879 0.14663 0.99055 -0.49133 -2.26416 -0.86289 -2.34476 2.16559 -2.91405 0.82475 -1.19153 -1.04280 2.69600 0.67973 0.86501 -2.86844 -0.98001 2.58603 -1.14741 0.74102 -0.00005 0.00002 -0.00006 0.00001 -0.00001 -0.00005 -0.00001 -0.00004 0.00000 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00004 -0.00002 -0.00000 0.00001 -0.00002 -0.00001 -0.00001 0.00000 0.00002 -0.00002 -0.00002 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00004 -0.00001 -0.00001 0.00000 0.00001 -0.00002 -0.00003 -0.00000 0.00002 -0.00002 -0.00002 0.00002 -0.00001 0.00002 -0.00003 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00002 -0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 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 0.00001 0.00000 0.00000 -0.00002 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00010 -0.00007 -0.00014 0.00009 -0.00011 0.00005 -0.00002 0.00004 0.00000 0.00001 -0.00005 0.00006 -0.00004 0.00001 -0.00018 0.00010 -0.00003 0.00043 0.00002 0.00003 -0.00062 -0.00002 -0.00001 -0.00031 -0.00019 -0.00004 0.00000 0.00001 0.00020 0.00002 0.00002 -0.00033 -0.00030 -0.00002 -0.00001 -0.00009 -0.00002 -0.00001 -0.00001 -0.00001 -0.00016 -0.00001 -0.00001 -0.00006 0.00005 -0.00004 -0.00002 0.00013 0.00000 0.00004 0.00002 -0.00028 -0.00002 -0.00002 -0.00001 0.00003 0.00010 -0.00003 -0.00006 -0.00010 0.00005 -0.00007 -0.00016 -0.00008 -0.00034 -0.00001 -0.00011 -0.00007 -0.00004 -0.00025 -0.00013 -0.00000 0.00016 0.00022 -0.00004 -0.00050 0.00021 -0.00010 0.00002 0.00004 0.00009 -0.00009 0.00003 0.00012 0.00009 -0.00008 -0.00045 -0.00011 0.00005 -0.00004 0.00021 -0.00017 -0.00001 -0.00008 0.00005 -0.00003 0.00024 -0.00003 -0.00008 -0.00008 0.00008 -0.00001 -0.00008 -0.00001 0.00016 0.00020 0.00029 -0.00015 -0.00001 -0.00035 0.00001 0.00007 0.00039 -0.00007 -0.00008 0.00006 0.00004 -0.00030 0.00028 0.00006 0.00043 -0.00007 0.00003 0.00038 -0.00029 -0.00013 -0.00028 0.00037 0.00008 0.00000 0.00011 -0.00012 0.00006 0.00024 -0.00008 -0.00016 -0.00002 -0.00002 -0.00032 -0.00016 0.00021 0.00030 0.00016 0.00038 0.00011 -0.00029 0.00024 0.00011 -0.00001 0.00009 0.00046 -0.00028 0.00027 -0.00021 -0.00032 -0.00003 0.00012 0.00000 0.00015 -0.00006 0.00008 0.00008 -0.00035 0.00009 0.00010 -0.00033 0.00011 0.00014 0.00021 0.00041 0.00027 0.00034 0.00054 0.00051 0.00023 0.00087 0.00059 -0.00006 -0.00025 0.00008 -0.00018 -0.00038 -0.00005 -0.00005 0.00004 0.00013 0.00022 0.00033 0.00025 0.00041 0.00032 -0.00087 0.00015 -0.00028 -0.00100 0.00002 -0.00041 -0.00013 -0.00009 -0.00000 0.00004 -0.00095 -0.00091 -0.00234 -0.00226 -0.00179 0.00000 -0.00013 -0.00012 -0.00025 -0.00003 -0.00017 -0.00021 -0.00022 -0.00007 -0.00009 -0.00004 -0.00006 -0.00010 -0.00034 -0.00002 -0.00027 -0.00003 -0.00028 0.00286 0.00297 -0.00295 -0.00271 -0.00284 0.00007 0.00008 -0.00002 -0.00001 -0.00025 0.00008 0.00086 -0.00014 0.00020 0.00098 0.00020 0.00018 0.00006 0.00004 0.00002 -0.00010 0.00197 0.00197 0.00009 0.00000 -0.00057 0.00019 0.00010 -0.00048 -0.00005 -0.00019 -0.00018 0.00019 0.00004 0.00005 -0.00034 -0.00026 -0.00034 -0.00045 -0.00037 -0.00045 -0.00004 0.00004 -0.00004 0.00001 -0.00006 -0.00005 -0.00000 -0.00005 -0.00001 -0.00001 0.00012 -0.00003 0.00003 0.00000 0.00008 -0.00004 -0.00002 -0.00023 0.00001 0.00006 -0.00010 -0.00000 -0.00000 -0.00002 0.00013 -0.00014 -0.00002 -0.00000 0.00012 -0.00001 -0.00000 0.00006 -0.00005 0.00000 0.00000 0.00013 -0.00003 -0.00001 -0.00001 0.00000 0.00016 -0.00002 -0.00003 0.00003 0.00023 -0.00001 -0.00001 0.00018 -0.00001 0.00001 -0.00004 -0.00006 -0.00000 0.00005 0.00001 -0.00005 -0.00005 -0.00000 0.00004 -0.00005 -0.00009 0.00006 0.00009 0.00004 0.00002 -0.00000 0.00006 -0.00000 0.00001 -0.00013 0.00009 -0.00006 -0.00005 0.00005 0.00006 -0.00008 0.00006 0.00004 0.00000 0.00002 0.00001 -0.00003 -0.00001 0.00001 -0.00004 0.00003 -0.00001 -0.00007 0.00002 -0.00002 -0.00000 0.00018 0.00001 -0.00007 0.00017 0.00002 -0.00023 -0.00004 0.00005 0.00003 -0.00005 0.00003 0.00004 0.00002 0.00003 0.00011 0.00005 -0.00005 0.00000 -0.00014 0.00010 -0.00002 0.00005 -0.00010 0.00009 -0.00003 -0.00002 0.00001 0.00000 -0.00000 0.00010 -0.00008 0.00019 0.00010 -0.00004 -0.00009 0.00009 -0.00008 0.00021 -0.00004 -0.00000 0.00016 -0.00031 0.00012 0.00001 -0.00006 0.00001 -0.00019 0.00025 0.00013 -0.00017 0.00008 -0.00002 -0.00017 -0.00007 0.00007 0.00003 -0.00011 0.00009 0.00003 0.00012 -0.00001 0.00005 0.00012 0.00018 -0.00010 -0.00006 -0.00013 -0.00009 -0.00009 -0.00005 0.00011 -0.00008 -0.00002 0.00004 -0.00016 -0.00009 0.00009 0.00006 0.00008 0.00020 0.00017 0.00019 -0.00051 -0.00052 -0.00063 -0.00064 0.00005 0.00013 0.00010 0.00014 0.00021 0.00019 -0.00003 0.00002 -0.00005 -0.00000 0.00005 0.00000 0.00009 0.00004 -0.00011 0.00003 -0.00002 -0.00007 0.00006 0.00002 0.00012 0.00009 0.00011 0.00008 0.00008 0.00005 0.00000 0.00008 0.00003 -0.00010 -0.00010 -0.00006 -0.00005 -0.00011 -0.00011 -0.00006 -0.00014 -0.00004 -0.00011 -0.00004 -0.00012 0.00014 0.00002 0.00008 -0.00004 0.00014 0.00002 0.00029 0.00025 0.00001 -0.00028 0.00012 -0.00031 -0.00033 -0.00030 -0.00031 -0.00010 -0.00010 0.00004 -0.00003 -0.00004 0.00011 -0.00015 -0.00032 -0.00022 0.00009 -0.00008 0.00001 -0.00000 -0.00002 0.00004 0.00006 -0.00005 0.00002 0.00005 -0.00006 0.00003 0.00002 -0.00011 0.00010 0.00009 -0.00004 0.00008 0.00003 0.00013 0.00005 0.00000 0.00009 -0.00014 -0.00002 -0.00018 0.00010 -0.00017 -0.00000 -0.00002 -0.00001 -0.00001 0.00001 0.00008 0.00003 -0.00001 0.00001 -0.00011 0.00006 -0.00005 0.00020 0.00003 0.00008 -0.00072 -0.00002 -0.00001 -0.00033 -0.00006 -0.00017 -0.00002 0.00001 0.00032 0.00001 0.00002 -0.00028 -0.00036 -0.00002 -0.00001 0.00004 -0.00005 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00004 -0.00003 0.00027 -0.00005 -0.00003 0.00031 -0.00001 0.00004 -0.00002 -0.00034 -0.00002 0.00003 0.00000 -0.00002 0.00005 -0.00003 -0.00002 -0.00015 -0.00003 -0.00001 -0.00006 -0.00004 -0.00032 -0.00001 -0.00005 -0.00008 -0.00003 -0.00038 -0.00004 -0.00006 0.00011 0.00027 0.00001 -0.00058 0.00027 -0.00006 0.00002 0.00006 0.00010 -0.00012 0.00002 0.00013 0.00004 -0.00005 -0.00047 -0.00018 0.00006 -0.00006 0.00020 0.00001 -0.00001 -0.00015 0.00022 -0.00001 0.00002 -0.00007 -0.00004 -0.00005 0.00002 0.00002 -0.00004 0.00001 0.00019 0.00031 0.00034 -0.00020 -0.00001 -0.00049 0.00011 0.00005 0.00044 -0.00017 0.00000 0.00003 0.00002 -0.00028 0.00028 0.00005 0.00053 -0.00015 0.00022 0.00049 -0.00033 -0.00022 -0.00019 0.00029 0.00029 -0.00004 0.00011 0.00004 -0.00025 0.00035 -0.00007 -0.00021 -0.00002 -0.00021 -0.00007 -0.00003 0.00004 0.00038 0.00014 0.00022 0.00004 -0.00021 0.00027 -0.00001 0.00008 0.00012 0.00059 -0.00029 0.00032 -0.00009 -0.00014 -0.00012 0.00006 -0.00013 0.00005 -0.00015 0.00003 0.00019 -0.00043 0.00007 0.00014 -0.00049 0.00002 0.00023 0.00027 0.00048 0.00048 0.00051 0.00073 0.00000 -0.00029 0.00024 -0.00005 -0.00000 -0.00013 0.00017 -0.00004 -0.00016 0.00014 -0.00008 0.00006 0.00008 0.00022 0.00037 0.00025 0.00049 0.00037 -0.00098 0.00017 -0.00030 -0.00107 0.00008 -0.00039 -0.00001 -0.00000 0.00011 0.00012 -0.00087 -0.00086 -0.00233 -0.00218 -0.00177 -0.00010 -0.00023 -0.00018 -0.00030 -0.00015 -0.00027 -0.00027 -0.00036 -0.00011 -0.00020 -0.00009 -0.00017 0.00004 -0.00032 0.00006 -0.00030 0.00011 -0.00026 0.00315 0.00322 -0.00293 -0.00299 -0.00272 -0.00024 -0.00024 -0.00031 -0.00031 -0.00035 -0.00002 0.00090 -0.00017 0.00016 0.00109 0.00005 -0.00014 -0.00017 0.00013 -0.00006 -0.00008 0.00197 0.00195 0.00013 0.00006 -0.00062 0.00021 0.00015 -0.00054 -0.00002 -0.00017 -0.00029 0.00029 0.00014 0.00002 -0.00026 -0.00023 -0.00022 -0.00040 -0.00037 -0.00036 2.72490 2.67830 2.70788 2.70276 3.31301 1.85988 1.82463 1.85721 1.83442 1.82575 3.45021 1.95556 1.92883 1.95347 2.86769 2.94674 1.83483 3.42765 1.87084 3.38601 3.26644 1.86940 1.82442 3.50145 3.37364 3.28119 1.84729 1.84930 3.48406 1.86639 1.85506 3.34605 3.35872 1.85170 1.83160 3.46389 1.84033 1.82409 1.85558 1.82385 3.39946 1.86000 1.86134 2.86632 3.32719 1.84848 1.85349 3.46514 1.82470 1.86509 1.85638 3.40560 1.85293 1.88187 1.86178 1.95476 1.88638 1.91287 1.96293 1.92154 1.97446 2.06416 1.81343 1.88806 1.89535 1.86341 1.89204 1.84384 1.83302 1.90822 1.64672 1.73396 1.85785 1.79740 1.98366 1.88091 2.15233 1.84743 1.60491 1.79170 2.04969 2.01411 2.06054 1.66083 1.70367 1.82390 2.92820 1.92660 1.83705 1.81699 1.79748 2.01326 1.79985 1.48762 2.04916 2.17913 1.75947 2.07904 1.85105 1.83723 1.62371 1.93218 2.89637 1.81628 1.85045 1.74444 1.69824 1.72209 1.80862 1.92842 2.04650 1.83260 2.09679 1.64691 1.84124 1.96748 1.45516 2.43237 1.77104 1.86086 1.72279 3.12394 3.03339 3.04925 3.04391 2.91167 3.04268 3.15163 2.97652 2.98052 2.95017 2.96246 3.07129 3.12614 3.04940 3.21166 2.93442 3.06818 3.19668 3.18268 3.15835 3.01364 3.10485 3.19742 3.30551 3.03715 3.14145 3.23358 2.92508 3.10564 3.17194 2.98422 3.25387 3.14296 3.11397 1.69268 -0.66003 -0.39513 -2.74783 -2.49389 1.43659 2.38303 -1.94159 0.20229 -1.59424 0.36433 2.50821 2.69913 -1.62714 0.27094 0.34204 2.29896 -2.08616 1.38135 -0.34634 -0.56447 -2.29215 -0.89112 -2.83981 0.96064 1.08947 -0.85923 2.94123 1.81873 -0.12911 -0.15990 -2.10774 2.50687 0.63534 0.53526 -1.33627 2.96506 -0.11788 -1.90471 -1.46606 1.73419 -0.05264 0.57089 -1.26327 2.43190 0.59774 -1.46576 2.98326 0.52272 -1.29966 2.61629 1.51545 -0.14897 -2.88217 1.73660 -0.29141 -1.95583 -1.95647 2.40870 0.10113 -1.81688 2.16251 0.24450 -0.00126 -1.79403 -1.99395 2.49646 1.69664 -0.09613 -0.53596 1.19629 -1.07065 0.66973 3.07482 -0.29603 -2.12250 1.63717 -0.18930 -0.71280 1.00972 2.61978 -2.70428 -0.98176 0.62830 0.01907 -2.02233 2.25746 2.07687 0.03547 -1.96793 2.11076 0.14858 0.99067 -0.49126 -2.26478 -0.86268 -2.34461 2.16505 -2.91407 0.82458 -1.19182 -1.04251 2.69614 0.67974 0.86475 -2.86867 -0.98023 2.58563 -1.14778 0.74065 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000057 0.000011 0.001686 0.000429 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.212577e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 1 1 1 1 5 5 6 7 8 8 8 10 10 10 11 13 14 14 16 16 17 18 18 18 18 19 21 21 22 24 24 25 26 27 27 28 30 30 33 33 33 36 36 36 38 39 39 40 42 42 45 45 45 2 3 4 5 44 47 14 16 9 12 41 11 13 49 24 16 15 48 17 34 21 19 20 23 37 27 22 23 30 25 26 39 45 28 29 30 31 32 34 35 46 37 38 49 42 40 41 42 43 44 46 47 48 1.442 1.4173 1.433 1.4302 1.7533 0.9842 0.9656 0.9828 0.9707 0.9661 1.8257 1.0348 1.0207 1.0337 1.5176 1.5593 0.971 1.8137 0.99 1.7918 1.7289 0.9893 0.9654 1.8531 1.7853 1.7364 0.9776 0.9786 1.8435 0.9876 0.9816 1.7708 1.7775 0.9799 0.9692 1.833 0.9739 0.9653 0.9819 0.9651 1.7989 0.9843 0.985 1.5168 1.7605 0.9782 0.9808 1.8335 0.9656 0.9869 0.9824 1.8023 0.9805 -DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 3 3 4 1 1 44 9 9 12 11 11 13 6 6 15 7 7 7 13 13 17 19 19 19 20 20 23 17 17 22 21 11 11 25 19 19 28 22 22 22 28 28 31 34 34 35 16 37 37 38 25 25 40 38 38 38 40 40 43 26 26 26 46 46 47 1 1 1 1 1 1 5 5 5 8 8 8 10 10 10 14 14 14 16 16 16 16 16 16 18 18 18 18 18 18 21 21 21 22 24 24 24 27 27 27 30 30 30 30 30 30 33 33 33 34 36 36 36 39 39 39 42 42 42 42 42 42 45 45 45 45 45 45 3 4 5 4 5 5 44 47 47 12 41 41 13 49 49 15 48 48 13 17 34 17 34 34 20 23 37 23 37 37 22 23 23 30 25 26 26 28 29 29 28 31 32 31 32 32 35 46 46 33 38 49 49 40 41 41 40 43 44 43 44 44 46 47 48 47 48 48 107.8213 106.6722 112.0007 108.079 109.6013 112.4688 110.1045 113.1303 118.2679 103.9054 108.1801 108.6141 106.7663 108.4087 105.6484 105.026 109.3546 94.3525 99.3522 106.4407 102.968 113.6547 107.8016 123.3044 105.8531 91.953 102.6531 117.4328 115.4072 118.0592 95.1514 97.6109 104.5047 167.8006 110.3967 105.2517 104.1093 102.9765 115.3506 103.1242 85.2429 117.3956 124.8555 100.8091 119.1247 106.0597 105.2681 93.0303 110.7048 165.9521 104.0646 106.0118 99.9312 97.2824 98.68 103.6266 110.5189 117.2492 104.9972 120.1124 94.3706 105.495 112.7267 83.3732 139.3811 101.4568 106.6161 98.678 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 10 10 16 18 18 24 24 27 18 36 39 8 5 33 5 14 10 10 10 16 18 18 24 24 27 18 36 39 8 5 33 5 14 11 13 17 19 23 25 26 28 37 38 40 41 44 46 47 48 49 11 13 17 19 23 25 26 28 37 38 40 41 44 46 47 48 24 16 21 27 21 39 45 30 36 42 42 39 42 45 45 45 36 24 16 21 27 21 39 45 30 36 42 42 39 42 45 45 45 1 8 3 6 1 1 8 1 1 7 2 3 8 4 2 1 1 1 8 3 6 1 1 8 1 1 7 2 3 8 4 2 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 178.9973 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 173.7879 174.681 174.4221 166.8391 174.3434 180.5589 170.5251 170.7736 169.0263 169.7343 175.9865 179.0948 174.7217 184.027 168.1307 175.8056 183.1598 182.3558 180.958 172.6475 177.8865 183.1863 189.389 174.0284 179.976 185.2712 167.5897 177.9332 181.705 170.9997 186.4147 180.0832 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 2 2 3 3 4 4 1 1 1 47 47 47 1 1 1 44 44 44 9 9 12 12 11 11 11 49 49 49 13 13 49 49 11 11 13 13 6 6 6 15 15 15 7 7 13 13 34 34 7 13 17 19 19 20 20 37 37 20 20 23 23 37 37 19 19 20 20 23 23 17 23 21 21 21 11 11 26 26 11 11 11 25 25 25 19 19 19 29 29 29 35 46 34 34 34 35 35 35 37 37 37 49 49 49 25 25 25 41 41 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 21 21 22 22 22 24 24 24 24 24 24 24 24 24 24 27 27 27 27 27 27 33 33 33 33 33 33 33 33 36 36 36 36 36 36 39 39 39 39 39 5 5 5 5 5 5 42 42 42 42 42 42 45 45 45 45 45 45 39 39 39 39 16 16 16 16 16 16 24 24 24 24 36 36 36 36 45 45 45 45 45 45 21 21 21 21 21 21 34 34 34 21 21 21 21 21 21 27 27 27 27 27 27 36 36 36 36 36 36 22 22 30 30 30 39 39 39 39 45 45 45 45 45 45 30 30 30 30 30 30 34 34 45 45 45 45 45 45 42 42 42 42 42 42 42 42 42 42 42 44 47 44 47 44 47 38 40 43 38 40 43 26 46 48 26 46 48 25 40 25 40 7 17 34 7 17 34 25 26 25 26 37 38 37 38 26 46 47 26 46 47 22 23 22 23 22 23 33 33 33 17 22 17 22 17 22 28 29 28 29 28 29 38 49 38 49 38 49 30 30 28 31 32 40 41 40 41 46 47 48 46 47 48 22 31 32 22 31 32 16 16 26 47 48 26 47 48 40 43 44 40 43 44 38 43 44 38 43 96.9902 -37.8204 -22.6317 -157.4423 -142.8807 82.3087 136.5266 -111.2201 11.5864 -91.351 20.9023 143.7088 154.6357 -93.2434 15.496 19.5703 131.6912 -119.5695 79.1453 -19.8268 -32.3555 -131.3276 -51.0571 -162.7018 55.0308 62.4241 -49.2206 168.512 104.2104 -7.4006 -9.1664 -120.7774 143.6114 36.388 30.6397 -76.5836 169.9418 -6.7637 -109.1144 -83.9374 99.357 -2.9936 32.71 -72.38 139.3313 34.2412 -83.9323 170.9777 30.0834 -74.3398 150.0035 86.8347 -8.5222 -165.1258 99.5174 -16.6883 -112.0451 -112.082 138.029 5.8006 -104.0884 123.9075 14.0185 -0.0747 -102.7719 -114.2486 143.0541 97.2044 -5.4929 -30.8889 68.3576 -61.1756 38.5441 176.3303 -16.9474 -121.5961 93.8209 -10.8279 -40.8202 57.8541 150.0507 -154.9343 -56.26 35.9366 1.0898 -115.863 129.3522 118.9886 2.0358 -112.749 120.825 8.4013 56.7542 -28.1509 -129.7267 -49.4399 -134.3449 124.0792 -166.963 47.2547 -68.2695 -59.7481 154.4697 38.9455 49.5612 -164.3495 -56.1505 148.1688 -65.7419 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0597791622 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5336,2.0412,-.1942;-1.2639,2.4778,-1.3336;.6636,2.7655,-.1338;-1.3076,2.3659,.9484;-.2483,.6329,-.2652;-4.6561,1.1814,-1.8764;-.458,-.6388,1.1647;-.7694,1.1785,-4.0123;-.8495,1.6138,-3.1558;.6362,-3.047,.0291;.234,-2.8446,-.9217;-1.5976,.6985,-4.108;.1224,-2.478,.6971;-3.9156,1.1367,-2.4908;-3.3476,1.87,-2.2298;-.6294,-1.4787,1.6309;-.2142,-1.3763,2.5287;3.0465,-1.1183,2.6678;2.9931,-.1491,2.4687;3.8704,-1.2392,3.1511;.5667,-1.0646,3.9722;.4229,-.1033,3.9667;1.4825,-1.1631,3.6476;-.3768,-2.555,-2.2029;.214,-1.9595,-2.7313;-1.149,-1.9886,-1.9859;2.72,1.4858,2.14;1.8699,1.6417,2.5996;2.4944,1.5306,1.2052;.2646,1.7265,3.4075;-.3626,1.8983,2.6927;.1793,2.4755,4.0059;-3.3105,-1.6624,1.0057;-2.4085,-1.6373,1.3821;-3.4896,-2.5986,.8746;2.9542,-2.107,.1412;3.0485,-1.8105,1.0762;2.8271,-1.273,-.3646;1.1337,-.8123,-3.5995;1.6497,-.4478,-2.8567;.468,-.1186,-3.7821;2.2473,.1189,-1.2327;2.7351,.9464,-1.166;1.3535,.309,-.8627;-2.3024,-.8136,-1.3863;-2.7636,-1.106,-.5683;-.9538,.1337,-.7355;-2.8997,-.1783,-1.8331;1.6194,-2.6922,.0589; 0.000000 1.422017 0.000000 1.400495 2.288507 0.000000 1.417743 2.285148 2.283941 0.000000 1.438690 2.361452 2.323072 2.366053 0.000000 4.534729 3.671820 5.817586 4.538088 4.724947 0.000000 3.005785 4.074777 3.812231 3.129978 1.925021 5.494045 0.000000 3.921506 3.017990 4.428902 5.129162 3.822334 4.434882 5.495514 0.000000 3.008945 2.058792 3.570489 4.197615 3.111153 4.039036 4.888144 0.964126 0.000000 5.225717 5.999173 5.814826 5.824306 3.796108 7.036854 2.878549 6.013589 5.837268 0.000000 4.998959 5.544433 5.681404 5.746528 3.571620 6.405615 3.114013 5.171451 5.103177 1.051999 0.000000 4.272324 3.312756 5.017900 5.332076 4.073313 3.816748 5.557677 0.961939 1.517885 6.011132 5.104956 0.000000 4.652768 5.532210 5.336440 5.056814 3.277380 6.545790 1.984474 6.028599 5.703723 1.016829 1.663519 6.011445 0.000000 4.186938 3.188925 5.401573 4.487801 4.319277 0.963254 5.335694 3.494988 3.173425 6.676175 5.960810 2.860129 6.287608 0.000000 3.477289 2.348299 4.613508 3.808941 3.872423 1.520238 5.115262 3.209782 2.676510 6.719329 6.063480 2.821817 6.285895 0.963564 0.000000 3.966127 4.984441 4.774859 3.963185 2.863451 5.965798 0.975819 6.239076 5.703029 2.574253 3.021001 6.213870 1.560662 5.884520 5.788522 0.000000 4.381325 5.556395 5.001426 4.206818 3.441532 6.758446 1.569721 7.044178 6.454323 3.124441 3.776455 7.089732 2.163709 6.723912 6.557427 0.994467 0.000000 5.566983 6.893687 5.349000 5.835679 4.746072 9.234072 3.843330 8.028759 7.520513 4.061054 4.875931 8.413073 3.779264 8.953625 8.590767 3.836363 3.273897 0.000000 4.932219 6.283359 4.549213 5.208976 4.311935 8.897202 3.721639 7.610767 7.036297 4.461442 5.135489 8.065133 4.099178 8.601201 8.146025 3.948731 3.434604 0.990863 0.000000 6.430234 7.764653 6.091997 6.682894 5.669212 10.189992 4.800196 8.870671 8.378250 4.845176 5.691140 9.292399 4.648085 9.904459 9.524766 4.755746 4.134062 0.962821 1.556763 0.000000 5.311858 6.637110 5.615908 4.942168 4.636961 8.156443 3.018885 8.400568 7.745208 4.413918 5.218145 8.548812 3.594621 8.167449 7.899252 2.661582 1.670544 2.802499 2.997649 3.408688 0.000000 4.777718 6.131888 5.010144 4.266347 4.347545 7.847777 2.985638 8.168779 7.436205 4.920891 5.607691 8.362130 4.052102 7.877770 7.517083 2.907779 2.023458 3.098502 2.975164 3.720274 0.972037 0.000000 5.393651 6.753559 5.513923 5.246349 4.640141 8.584402 3.194547 8.320337 7.709427 4.166336 5.026323 8.549897 3.504828 8.491622 8.189769 2.937117 2.043533 1.846151 2.167890 2.440187 0.976592 1.532217 0.000000 5.018501 5.183808 5.802750 5.917145 3.732872 5.690257 3.875456 4.167401 4.302400 2.500016 1.448618 3.962962 2.943696 5.121945 5.329820 3.990012 4.878929 6.124326 6.242547 6.959655 6.422133 6.686885 6.294641 0.000000 4.795980 4.881278 5.410594 5.879110 3.607726 5.857729 4.168206 3.529172 3.752284 2.996734 2.014540 3.498866 3.468566 5.166938 5.253684 4.468847 5.309473 6.154720 6.167740 6.963560 6.772121 6.953505 6.552290 0.991406 0.000000 4.452889 4.515198 5.414498 5.253222 3.262543 4.728631 3.496460 3.778992 3.799413 2.892601 1.943665 3.453259 3.009052 4.204299 4.447673 3.689278 4.650807 6.325849 6.354859 7.221163 6.268656 6.438785 6.272281 0.981946 1.553748 0.000000 4.042656 5.377870 3.322205 4.291444 3.914486 8.404186 3.945213 7.079705 6.387788 5.417013 5.857155 7.635375 4.953877 8.099224 7.487231 4.501763 4.117303 2.677031 1.689842 3.125880 3.807601 3.337361 3.289466 6.691765 6.471430 6.638013 0.000000 3.707008 5.098033 3.192159 3.653498 3.702893 7.926836 3.560710 7.134308 6.365603 5.487497 5.933111 7.609514 4.862578 7.722654 7.113203 4.113606 3.668358 3.001087 2.117910 3.550386 3.302456 2.647143 3.019102 6.761965 6.642909 6.581705 0.978813 0.000000 3.374603 4.633288 2.582624 3.901200 3.238880 7.794060 3.663981 6.164349 5.496098 5.078435 5.364275 6.757702 4.685463 7.409701 6.785530 4.358397 4.187930 3.075871 2.160296 3.654023 4.255314 3.819214 3.774308 6.045808 5.733825 5.986816 0.962737 1.531898 0.000000 3.702464 5.037717 3.712084 2.987961 3.866189 7.240768 3.338658 7.511534 6.658138 5.859777 6.295767 7.810664 5.004353 7.253364 6.696790 3.772073 3.260168 4.047145 3.441522 4.675774 2.863584 1.919791 3.144910 7.086538 7.160499 6.699829 2.773718 1.799205 3.140200 0.000000 2.895496 4.166464 3.129568 2.038263 3.219227 6.310665 2.963226 6.755833 5.875657 5.705060 5.992845 7.015278 4.834179 6.330308 5.756913 3.550035 3.282070 4.552215 3.937350 5.288859 3.358467 2.499232 3.699731 6.618106 6.680878 6.133117 3.158770 2.249144 3.241976 0.966293 0.000000 4.282223 5.531088 4.177979 3.401673 4.671200 7.723768 4.263513 8.177664 7.286354 6.820648 7.251691 8.494108 5.957209 7.795364 7.189522 4.683012 4.144111 4.788239 4.143551 5.306006 3.561405 2.590561 3.881518 8.010296 8.065940 7.589039 3.303931 2.351845 3.754531 0.962522 1.533383 0.000000 4.782099 5.177161 6.057939 4.499155 4.032527 4.266669 3.034794 6.301517 5.840296 4.294999 4.204237 5.887157 3.541921 4.519657 4.790417 2.759141 3.462421 6.593223 6.645766 7.506516 4.918346 5.013655 5.495562 4.438315 5.145427 3.705170 6.896729 6.347789 6.628180 5.480332 4.920869 6.188899 0.000000 4.419450 5.061532 5.578540 4.174391 3.540330 4.859415 2.201988 6.301970 5.795916 3.617698 3.707744 6.021166 2.753430 4.996561 5.121369 1.803390 2.489531 5.628487 5.707268 6.535520 3.986050 4.129208 4.527352 4.221619 4.888834 3.612871 6.052226 5.526190 5.840004 4.749969 4.289966 5.522347 0.977693 0.000000 5.604360 5.966599 6.858557 5.423370 4.716822 4.818385 3.621589 6.748953 6.399945 4.235358 4.141543 6.267172 3.618407 5.045807 5.442965 3.163387 3.867609 6.937461 7.111067 7.823121 5.329367 5.576354 5.871263 4.377522 5.208421 3.746096 7.539427 7.048428 7.277972 6.262224 5.771132 7.000912 0.962121 1.533136 0.000000 5.429986 6.402107 5.391067 6.230658 4.234138 8.532264 3.853052 6.473892 6.259591 2.503874 3.012213 6.829699 2.909596 8.040048 7.819859 3.931406 4.033936 2.714681 3.041714 3.263789 4.632832 5.005600 3.918070 4.097734 3.972598 4.623266 4.117991 4.612075 3.817764 5.709435 5.792493 6.605650 6.339674 5.524379 6.504042 0.000000 5.411204 6.541627 5.300181 6.036093 4.317205 8.776595 3.698120 7.028753 6.695516 2.905915 3.603071 7.399760 3.025078 8.361060 8.086108 3.734239 3.597687 1.735605 2.168524 2.303816 3.886193 4.261799 3.079520 4.799946 4.749007 5.198706 3.479251 3.953114 3.389211 5.069047 5.291836 5.931712 6.361091 5.468278 6.588518 0.985362 0.000000 4.723133 5.634171 4.587394 5.662335 3.619491 8.019202 3.678724 5.678999 5.444474 2.846430 3.082954 6.121915 3.145597 7.469373 7.175287 3.996488 4.199003 3.044252 3.052639 3.667449 4.894989 5.090021 4.232923 3.910031 3.591770 4.353168 3.727694 4.265912 3.230376 5.458234 5.438621 6.337479 6.300808 5.531315 6.572252 0.983578 1.553624 0.000000 4.745362 4.659065 5.003262 6.061675 3.887923 6.361175 5.026009 2.784817 3.164740 4.290479 3.480025 3.162374 4.717869 5.524700 5.399292 5.559629 6.299988 6.559860 6.381307 7.296818 7.597103 7.632474 7.263932 2.696173 1.707575 3.032827 6.382775 6.707652 5.515955 7.503222 7.012686 8.340393 6.456150 6.167966 6.677116 4.357006 5.150247 3.680317 0.000000 4.248621 4.400841 4.325720 5.580403 3.389083 6.586129 4.544207 3.135642 3.253529 4.013793 3.390127 3.663910 4.368482 5.797941 5.544158 5.137609 5.773944 5.737650 5.500392 6.453848 6.941678 6.941285 6.545585 2.995749 2.088561 3.311297 5.463656 5.846810 4.596352 6.773890 6.352075 7.602785 6.402884 5.987534 6.705294 3.666325 4.391020 2.877131 0.975127 0.000000 4.305885 3.966760 4.654659 5.630478 3.666877 5.619356 5.059446 1.807349 2.264729 4.809234 3.958244 2.245072 5.074374 4.739034 4.574120 5.688060 6.470929 7.017754 6.741641 7.803952 7.812376 7.748853 7.570951 3.023875 2.134880 3.055784 6.535790 6.766765 5.630157 7.425282 6.832273 8.213669 6.291553 6.103191 6.595310 5.052413 5.755345 4.310138 0.978608 1.536569 0.000000 3.536531 4.231123 3.274178 4.737445 2.725437 7.014177 3.693229 4.236651 3.939902 3.769692 3.596155 4.835871 3.870815 6.371733 5.946656 4.362086 4.737391 4.169373 3.785385 4.868010 5.596096 5.514625 5.103494 3.870025 3.271011 4.067329 3.669792 4.140985 2.827966 5.295926 5.038492 6.105156 6.250819 5.621164 6.688633 2.709605 3.113794 1.739944 2.776473 1.820851 3.117884 0.000000 3.581531 4.285404 2.943770 4.777989 3.132135 7.428907 4.259204 4.520712 4.153775 4.667016 4.548304 5.242937 4.692990 6.783981 6.243679 5.002384 5.267317 4.365601 3.805069 4.970313 5.928545 5.726465 5.402765 4.797862 4.153344 4.936844 3.349815 3.925778 2.453941 5.256331 5.038988 5.968140 6.933407 6.294838 7.448413 3.328679 3.567427 2.361523 3.402845 2.445472 3.621804 0.962925 0.000000 2.647404 3.431623 2.653638 3.820014 1.740016 6.156570 2.879238 3.896541 3.437171 3.545754 3.346919 4.403684 3.422858 5.576646 5.138675 3.653185 4.098737 4.167492 3.741228 4.984249 5.087449 4.935443 4.746171 3.604574 3.152149 3.578104 3.502646 3.745678 2.658979 4.629194 4.255781 5.456698 5.397291 4.793721 5.910040 3.067060 3.335341 2.218668 2.965751 2.153231 3.080511 0.985817 1.551482 0.000000 3.563688 3.451749 4.814116 4.068076 2.751129 3.124024 3.152730 3.635205 3.336853 3.953063 3.282394 3.192350 3.604241 2.761483 3.000902 3.513479 4.472619 6.718617 6.583732 7.672910 6.083435 6.048636 6.307698 2.721681 3.074816 1.752306 6.553370 6.270876 5.934710 6.001764 5.268324 6.786194 2.731019 2.890231 3.115666 5.624781 5.974088 5.250468 4.087213 4.232611 3.728023 4.646808 5.340677 3.860086 0.000000 3.875328 3.959625 5.188730 4.058882 3.072870 3.244184 2.921858 4.588760 4.213818 3.960093 3.483172 4.140663 3.436917 3.170631 3.458065 3.087079 4.020441 6.650567 6.578675 7.606720 5.631074 5.632549 5.983802 3.235411 3.777874 2.322733 6.642455 6.249393 6.143601 5.744533 5.042333 6.512418 1.756840 2.052421 2.199342 5.847906 6.081156 5.596901 4.945977 5.014606 4.663259 5.200981 5.899580 4.363400 0.983442 0.000000 2.026919 2.438972 3.147144 2.818412 0.984000 4.013164 2.110292 3.444267 2.838903 3.637230 3.211794 3.479485 3.167286 3.585921 3.313234 2.881845 3.671853 5.399380 5.091754 6.345448 5.090269 4.905338 5.179658 3.116958 3.118993 2.470917 4.857378 4.622848 4.196229 4.602821 3.900796 5.408251 3.436874 3.120374 4.060593 4.589329 4.804247 4.051204 3.668087 3.408163 3.371420 3.239509 3.801848 2.317490 1.771863 2.200001 0.000000 3.634649 3.159125 4.924449 4.091954 3.185329 2.221554 3.893658 3.335829 3.027263 4.919308 4.214222 2.763929 4.563309 1.787092 2.133846 4.341032 5.260477 7.516616 7.296029 8.473658 6.819329 6.684526 7.085973 3.485764 3.697879 2.522985 7.080662 6.760938 6.422460 6.411259 5.588565 7.114540 3.229664 3.564759 3.679402 6.471913 6.819735 6.012611 4.448596 4.670848 3.891417 5.190350 5.784511 4.389621 0.979800 1.574471 2.255727 0.000000 5.206276 6.081248 5.544172 5.911285 3.827525 7.624399 3.123267 6.104441 5.913724 1.045670 1.704176 6.261737 1.641380 7.197063 7.122016 3.000108 3.345641 3.364519 3.763196 4.091494 4.367026 4.837811 3.903214 3.019893 3.208945 3.512885 4.795626 5.029927 4.462291 5.707276 5.651344 6.660159 5.124523 4.368915 5.174574 1.459805 1.963281 1.911078 4.141806 3.679581 4.764749 3.156776 3.998168 3.150804 4.582435 4.703165 3.903670 5.506539 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7279,-1.7304,-.9719;2.1276,-1.8729,-1.1784;.0909,-1.7823,-2.2181;.302,-2.8463,-.2082;.4207,-.4858,-.3188;4.3386,-2.1387,1.741;-.7883,-.2513,1.1607;3.8121,.5696,-1.7312;3.2312,-.1919,-1.6202;-.8482,2.6093,1.4757;.1772,2.7075,1.2623;4.299,.6138,-.9028;-1.0081,1.6375,1.7284;4.3989,-1.4941,1.0277;3.965,-1.9249,.283;-1.1833,.1069,1.978;-2.1305,-.1962,1.9728;-4.0882,.9951,-.3652;-3.7599,.3153,-1.0071;-4.9696,1.2351,-.6693;-3.6979,-.7462,1.7956;-3.4742,-1.5484,1.2943;-3.9795,-.1142,1.1065;1.6012,2.7962,1.0113;1.7694,2.8415,.0353;1.9527,1.9166,1.2703;-3.1061,-.9161,-1.9619;-2.9629,-1.6246,-1.3018;-2.2178,-.6251,-2.1921;-2.6737,-2.7738,.052;-1.7125,-2.8599,.1015;-2.9995,-3.6616,-.1269;.8411,-.6617,3.6879;.0213,-.4506,3.1987;.9172,.0394,4.3423;-2.1433,2.8672,-.6516;-2.9075,2.2547,-.5436;-1.545,2.3987,-1.2761;2.0993,2.7634,-1.6383;1.2557,2.374,-1.9344;2.7287,2.0154,-1.6837;-.3148,1.4635,-2.0758;-.5328,1.013,-2.8985;-.0695,.75,-1.4413;2.303,.2239,1.5578;1.87,-.1291,2.3672;1.1354,-.2013,.2947;3.0971,-.3281,1.401;-1.3895,2.7607,.594; 0.2495443 0.1803054 0.1652545 -24.63870 -24.63618 -24.63368 -19.15664 -19.14108 -19.13797 -19.13333 -19.13083 -19.12963 -19.12859 -19.12740 -19.12581 -19.12295 -19.12170 -19.12107 -19.11758 -19.11338 -19.10339 -6.84124 -1.19381 -1.14875 -1.14719 -1.06451 -1.03530 -1.03083 -1.02853 -1.02654 -1.02584 -1.02296 -1.01924 -1.01563 -1.01254 -1.00352 -1.00175 -1.00131 -0.99439 -0.98556 -0.56823 -0.56104 -0.55959 -0.54830 -0.54524 -0.54472 -0.54134 -0.54079 -0.53895 -0.53606 -0.53540 -0.53333 -0.52991 -0.52836 -0.52608 -0.52366 -0.51773 -0.49681 -0.48996 -0.44333 -0.44100 -0.43773 -0.43469 -0.42477 -0.42009 -0.41672 -0.41192 -0.41180 -0.40744 -0.40532 -0.40171 -0.39744 -0.39570 -0.39287 -0.38505 -0.38110 -0.37833 -0.37501 -0.36406 -0.35112 -0.33719 -0.33459 -0.33219 -0.33095 -0.32967 -0.32761 -0.32697 -0.32575 -0.32507 -0.32487 -0.32071 -0.31897 -0.31501 -0.30921 -0.00924 0.00877 0.01961 0.02622 0.04573 0.05234 0.05604 0.06288 0.06986 0.08262 0.09284 0.09509 0.09628 0.10487 0.10904 0.11318 0.11498 0.12026 0.12772 0.13213 0.13375 0.13931 0.14314 0.14831 0.14958 0.15559 0.15804 0.16309 0.16598 0.16853 0.17358 0.17625 0.17952 0.18330 0.18897 0.19030 0.19090 0.19162 0.19889 0.20265 0.20450 0.20829 0.21346 0.21705 0.21909 0.22270 0.22571 0.23166 0.23603 0.23728 0.23886 0.24732 0.25027 0.25447 0.25473 0.25696 0.26493 0.26573 0.26801 0.27111 0.27525 0.27796 0.27942 0.28484 0.28741 0.28830 0.29219 0.29299 0.29787 0.30304 0.30373 0.30634 0.30874 0.31488 0.31914 0.32285 0.32683 0.32916 0.33145 0.33727 0.33792 0.34877 0.35987 0.36111 0.36419 0.37352 0.37978 0.38036 0.39453 0.40673 0.41359 0.41531 0.43349 0.43577 0.44526 0.45705 0.45877 0.46932 0.47407 0.47917 0.48513 0.49645 0.50106 0.50689 0.50908 0.51950 0.52435 0.52737 0.53234 0.53571 0.54995 0.55037 0.55551 0.56064 0.56590 0.57235 0.57375 0.58456 0.58512 0.59358 0.59488 0.59815 0.60359 0.61760 0.62300 0.62546 0.63401 0.64517 0.65356 0.65517 0.65881 0.66631 0.67461 0.67665 0.68622 0.69837 0.70002 0.70695 0.71941 0.73213 0.73992 0.75695 0.77126 0.81977 0.93798 0.95407 0.95699 0.96423 0.97267 0.97734 0.98303 0.98338 0.99001 0.99234 1.00217 1.00718 1.00795 1.01285 1.01602 1.02679 1.03377 1.03917 1.04624 1.05498 1.06417 1.06585 1.06887 1.07920 1.08625 1.08830 1.09093 1.09492 1.09975 1.10779 1.11402 1.11693 1.12173 1.12798 1.13000 1.14009 1.14090 1.14745 1.15530 1.16140 1.16962 1.17722 1.18650 1.19403 1.21223 1.22167 1.23296 1.24190 1.25189 1.26759 1.27575 1.27867 1.28866 1.30468 1.30679 1.31470 1.31703 1.32044 1.32947 1.33274 1.33759 1.34348 1.35270 1.36146 1.36309 1.36827 1.38039 1.38295 1.39159 1.39666 1.39918 1.40734 1.41467 1.41862 1.42625 1.43316 1.43793 1.44452 1.45161 1.45948 1.46194 1.46977 1.47414 1.48019 1.48864 1.49890 1.50273 1.50637 1.50824 1.51821 1.53921 1.54217 1.55106 1.55590 1.55725 1.56866 1.57420 1.58421 1.59523 1.60037 1.60534 1.61374 1.62058 1.62660 1.63469 1.63982 1.64940 1.65608 1.65986 1.67293 1.68523 1.69323 1.70390 1.71094 1.71712 1.72744 1.73149 1.73920 1.74536 1.74829 1.75666 1.76187 1.77158 1.78040 1.80045 1.80617 1.82464 1.82470 1.84711 1.87338 1.88140 1.89018 1.90153 1.99333 2.02845 2.03360 2.03927 2.04639 2.06337 2.08129 2.09674 2.12108 2.15765 2.16784 2.20177 2.21724 2.22309 2.22819 2.25072 2.27912 2.28728 2.29503 2.30786 2.32122 2.33056 2.33303 2.33608 2.34748 2.35632 2.36320 2.38447 2.40201 2.41706 2.45471 2.46624 2.47237 2.50063 2.50664 2.52875 2.55274 2.59865 2.60651 2.62150 2.62830 2.64519 2.65502 2.68232 2.69421 2.71317 2.72017 2.72843 2.73403 2.73517 2.74750 2.75293 2.77085 2.78671 2.79012 2.80426 2.81209 2.82771 2.83034 2.84441 2.85511 2.86262 2.88172 2.89985 2.93306 2.98048 2.99148 3.07544 3.08529 3.08557 3.08836 3.09236 3.09775 3.09896 3.10819 3.11160 3.11824 3.12406 3.12815 3.13445 3.13618 3.14154 3.14535 3.15233 3.16154 3.16446 3.16884 3.17500 3.17762 3.18459 3.18716 3.20432 3.21689 3.22600 3.23554 3.25581 3.29864 3.30852 3.31126 3.31760 3.32335 3.32579 3.33497 3.33939 3.34472 3.34745 3.35094 3.36235 3.36608 3.37115 3.38518 3.52474 3.57449 3.67235 3.68632 3.69815 3.70937 3.71366 3.72200 3.72469 3.73287 3.73440 3.76944 3.77585 3.78082 3.78802 3.80049 3.81632 3.82336 3.84008 3.84962 3.85349 3.89776 3.90405 3.90650 3.91229 3.91378 3.91914 3.92792 3.93392 3.93841 3.94363 3.95629 3.96172 3.96484 3.96970 3.97600 3.98031 3.99052 4.00644 4.03628 4.12035 4.24923 4.26098 4.40977 4.67257 4.67527 4.98745 5.00784 5.01574 5.01742 5.01945 5.02881 5.04550 5.05029 5.05536 5.07160 5.10083 5.11322 5.13410 5.22027 5.23758 5.38464 5.38917 5.39438 5.40286 5.41796 5.42559 5.45007 5.45904 5.46646 5.48280 5.50271 5.51124 5.52909 5.53680 5.61091 5.63554 5.63941 5.66178 5.67810 5.68915 5.69126 5.70198 5.71437 5.73957 5.74411 5.74832 5.76031 5.77967 5.79979 5.83592 6.36812 6.37426 6.40869 6.43075 6.45440 6.48273 6.50656 6.61603 6.66591 14.61842 49.87918 49.88684 49.89976 49.90266 49.91028 49.91835 49.92159 49.93382 49.94686 49.95078 49.96299 49.97066 49.98609 49.99454 50.01405 66.85678 66.86341 66.88457 1-A. -5.1121 -3.7275 2.8900 6.9556 -116.7475 -146.5086 -133.4594 -6.9309 24.2466 -1.8580 15.4910 -14.2702 -1.2209 -6.9309 24.2466 -1.8580 -95.4878 -169.0139 30.2855 -56.0971 -54.2708 9.9586 16.3812 22.8213 24.9175 -1.0771 -4190.2737 -2778.6614 -1937.6036 -251.7387 380.8308 80.3056 16.0101 185.9105 76.4052 -1049.3028 -1300.8804 -920.4411 -33.0236 82.9799 -110.6464 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4733,1.8629,-.1797;-1.1503,2.462,-1.3032;.7667,2.5292,-.0148;-1.2785,2.1295,.9754;-.2444,.4648,-.3755;-4.4094,1.639,-1.6647;-.4575,-.6461,1.0461;-.8266,1.1413,-3.8698;-.8281,1.6006,-3.0146;.6386,-3.0899,.0356;.2556,-2.8958,-.9059;-1.6927,.7147,-3.9058;.126,-2.4976,.6899;-3.6521,1.4602,-2.2364;-2.9217,1.9735,-1.8546;-.63,-1.4579,1.5725;-.2132,-1.3111,2.4584;3.0884,-1.0027,2.6497;2.9696,-.0522,2.4025;3.9149,-1.0445,3.147;.5888,-.9251,3.9406;.4043,.0337,3.8931;1.5082,-1.0141,3.6175;-.3849,-2.6017,-2.2499;.2058,-2.0271,-2.7943;-1.1564,-2.0291,-2.0486;2.5234,1.5931,2.0721;1.7286,1.7219,2.6305;2.193,1.7616,1.1767;.0738,1.7836,3.4165;-.4921,1.937,2.6389;-.1255,2.496,4.0366;-3.309,-1.7583,1.006;-2.3876,-1.7198,1.3434;-3.5376,-2.696,.9976;3.0101,-2.1626,.145;3.1071,-1.8202,1.0627;2.881,-1.3526,-.4003;1.1486,-.8438,-3.7146;1.6937,-.515,-2.9719;.4593,-.1538,-3.8185;2.2882,.0244,-1.3235;2.7661,.8581,-1.2298;1.3832,.1981,-.9703;-2.4047,-.9037,-1.4697;-2.8314,-1.2054,-.6379;-.9883,.0117,-.8339;-2.9346,-.1469,-1.7982;1.6167,-2.7566,.0652; 0.000000 1.442031 0.000000 1.417305 2.310673 0.000000 1.433041 2.306251 2.307151 0.000000 1.430187 2.381197 2.326844 2.380255 0.000000 4.212855 3.380809 5.505132 4.124704 4.515306 0.000000 2.792412 3.957165 3.564571 2.895313 1.816688 5.309215 0.000000 3.776570 2.904641 4.396129 4.965561 3.606440 4.236413 5.243720 0.000000 2.869065 1.942938 3.522028 4.050040 2.931817 3.827476 4.655549 0.970735 0.000000 5.080641 5.984694 5.620771 5.639222 3.685733 7.122976 2.862671 5.941522 5.784116 0.000000 4.868601 5.553389 5.521344 5.580840 3.438673 6.549977 3.062633 5.123786 5.083132 1.034820 0.000000 4.085228 3.181384 4.947814 5.098948 3.823948 3.641120 5.281881 0.966142 1.525297 5.953508 5.082329 0.000000 4.486568 5.495396 5.116223 4.843978 3.169892 6.574648 1.973686 5.911012 5.606198 1.020701 1.649870 5.894661 0.000000 3.807462 2.851959 5.060029 4.049367 4.008220 0.965566 5.041458 3.279266 2.932644 6.653986 6.001179 2.679963 6.204939 0.000000 2.968514 1.918484 4.159058 3.276155 3.410535 1.536632 4.620446 3.023809 2.422377 6.472034 5.891094 2.702359 5.979474 0.970975 0.000000 3.757931 4.889352 4.512933 3.694081 2.764075 5.861276 0.982800 6.034316 5.516820 2.575873 2.999054 5.988416 1.559317 5.670612 5.363910 0.000000 4.135401 5.409649 4.671687 3.895138 3.344565 6.581185 1.580099 6.814460 6.229806 3.124071 3.748269 6.840759 2.156454 6.445726 6.060290 0.989989 0.000000 5.376126 6.752468 4.996378 5.628823 4.734263 9.044888 3.907959 7.901100 7.362113 4.146275 4.924551 8.293522 3.853771 8.681810 8.078849 3.897930 3.321468 0.000000 4.710525 6.084969 4.166485 4.984283 4.279575 8.593751 3.733320 7.428108 6.819051 4.501485 5.137834 7.881581 4.123010 8.225181 7.545462 3.952454 3.423203 0.989251 0.000000 6.227042 7.599714 5.716578 6.462308 5.655609 9.982365 4.867249 8.746094 8.213281 4.959646 5.765718 9.180467 4.743865 9.618380 8.992396 4.827565 4.193561 0.965446 1.559646 0.000000 5.087039 6.480310 5.254422 4.648651 4.610359 7.935779 3.090484 8.202203 7.534086 4.465245 5.242484 8.334294 3.640612 7.863212 7.369547 2.716104 1.728910 2.814366 2.965881 3.421557 0.000000 4.550155 5.942631 4.650850 3.967024 4.339150 7.525839 3.051320 7.937562 7.189650 4.969171 5.624479 8.104582 4.092128 7.487317 6.918193 2.946141 2.061125 3.134438 2.968258 3.747479 0.977553 0.000000 5.159681 6.585154 5.128181 4.962738 4.604720 8.364174 3.257587 8.133696 7.502037 4.230329 5.056826 8.356723 3.561223 8.186519 7.648147 2.991806 2.096418 1.853062 2.130118 2.452421 0.978605 1.546763 0.000000 4.921986 5.208010 5.713806 5.795274 3.596692 5.875642 3.833176 4.102275 4.294219 2.551374 1.517572 3.930692 2.985742 5.212835 5.246365 3.997435 4.885036 6.215054 6.276725 7.073833 6.487073 6.730920 6.366432 0.000000 4.735942 4.920827 5.366537 5.804381 3.501781 6.001391 4.134690 3.501530 3.778548 3.053744 2.079231 3.515203 3.516804 5.230263 5.164221 4.482388 5.317840 6.244691 6.208491 7.072594 6.835258 7.000590 6.620754 0.987646 0.000000 4.371157 4.552597 5.349081 5.143285 3.138522 4.917812 3.460951 3.671098 3.770393 2.948087 2.012566 3.356362 3.059989 4.294061 4.378943 3.703494 4.660293 6.414513 6.383125 7.326745 6.335253 6.480362 6.343148 0.981645 1.552983 0.000000 3.758207 5.063990 2.884037 3.993180 3.863320 7.875951 3.866860 6.836164 6.091630 5.443382 5.844795 7.367683 4.938837 7.531157 6.724099 4.416101 4.009085 2.718579 1.736421 3.169918 3.684506 3.199788 3.196300 6.688376 6.493002 6.606201 0.000000 3.572925 4.930507 2.928262 3.456657 3.809154 7.492086 3.591208 7.008596 6.198335 5.574503 5.999902 7.446025 4.913089 7.259992 6.465690 4.097935 3.605447 3.045075 2.177035 3.563623 3.165766 2.489564 2.916881 6.854108 6.767752 6.654883 0.979887 0.000000 2.993195 4.221098 2.010729 3.496733 3.167368 7.188894 3.583185 5.913500 5.169134 5.220701 5.457305 6.482747 4.759284 6.775319 5.949246 4.300121 4.107847 3.257763 2.322883 3.836879 4.175118 3.682989 3.759177 6.117641 5.837119 5.999222 0.969247 1.526737 0.000000 3.638450 4.922805 3.579045 2.812038 4.027445 6.777849 3.435809 7.369788 6.496656 5.958274 6.372832 7.607856 5.076013 6.778086 6.065796 3.795118 3.252350 4.175997 3.575496 4.777509 2.806606 1.843516 3.150389 7.179822 7.287879 6.776272 2.800766 1.832991 3.083525 0.000000 2.819644 4.030980 2.996186 1.850090 3.363913 5.827134 3.034957 6.565720 5.673508 5.772893 6.039942 6.765280 4.883319 5.829381 5.108428 3.561139 3.265124 4.632700 3.999567 5.345015 3.324853 2.449333 3.697032 6.671765 6.761759 6.176134 3.087558 2.231114 3.062436 0.973888 0.000000 4.277713 5.437299 4.148549 3.291622 4.858707 7.182711 4.350448 8.052201 7.142482 6.913379 7.324276 8.289202 6.016636 7.270504 6.542009 4.686106 4.122239 4.949075 4.329385 5.445308 3.496225 2.522760 3.894287 8.097799 8.199360 7.653059 3.419243 2.452333 3.754147 0.965277 1.549303 0.000000 4.749680 5.272858 6.002922 4.386176 4.030132 4.459309 3.060964 6.192168 5.796721 4.277646 4.201766 5.731789 3.527764 4.581385 4.717981 2.754660 3.448681 6.648230 6.654446 7.568155 4.949629 5.033401 5.529848 4.456727 5.183434 3.746613 6.810682 6.334662 6.533799 5.458873 4.925141 6.117089 0.000000 4.338157 5.101238 5.463300 4.022720 3.510023 4.941452 2.228590 6.148169 5.696431 3.570141 3.664533 5.827827 2.711121 4.952346 4.914556 1.791755 2.477585 5.675157 5.709862 6.590154 4.029397 4.167789 4.565866 4.207239 4.892965 3.621771 5.968631 5.517693 5.755863 4.757130 4.317842 5.490322 0.981941 0.000000 5.617679 6.131656 6.844933 5.328091 4.766588 5.161414 3.700145 6.765014 6.472976 4.303623 4.248645 6.251344 3.681754 5.267361 5.506212 3.212061 3.886273 7.035607 7.162849 7.930032 5.368786 5.601167 5.928941 4.527118 5.370185 3.923496 7.502401 7.065129 7.262315 6.241779 5.782172 6.916251 0.965144 1.547529 0.000000 5.333301 6.386960 5.203002 6.124019 4.214967 8.530920 3.890472 6.461749 6.235126 2.548655 3.037986 6.841323 2.954198 7.948608 7.502811 3.972960 4.057860 2.761346 3.090543 3.328735 4.669141 5.065803 3.953875 4.177833 4.064735 4.710560 4.249193 4.786340 4.139043 5.907355 5.940696 6.832197 6.390216 5.546836 6.624407 0.000000 5.284679 6.485367 5.055237 5.902623 4.303745 8.712221 3.752994 6.969464 6.619076 2.959806 3.628157 7.358612 3.079760 8.205571 7.697351 3.789034 3.637481 1.785282 2.222514 2.366078 3.927535 4.330516 3.119833 4.876277 4.830829 5.282158 3.606919 4.111491 3.698384 5.265769 5.436472 6.158173 6.416583 5.502781 6.702408 0.984284 0.000000 4.651785 5.622937 4.436988 5.596303 3.615447 7.981112 3.706274 5.657055 5.414152 2.869918 3.087038 6.122089 3.176451 7.346001 6.844624 4.028636 4.212822 3.077036 3.091022 3.707724 4.927562 5.146801 4.259377 3.955630 3.652758 4.413037 3.862333 4.468353 3.557889 5.681891 5.606790 6.598228 6.360612 5.561782 6.704938 0.985002 1.552502 0.000000 4.738412 4.693481 5.021136 6.060323 3.847372 6.423261 5.028170 2.804630 3.220653 4.400988 3.591174 3.246269 4.814631 5.526336 5.288151 5.611938 6.338680 6.655256 6.431274 7.400934 7.676110 7.694262 7.342925 2.754395 1.770799 3.081145 6.427664 6.868767 5.639490 7.675373 7.126876 8.535738 6.556647 6.233408 6.898916 4.483407 5.254674 3.774167 0.000000 4.259969 4.442564 4.344130 5.604393 3.384940 6.602851 4.559530 3.146660 3.292039 4.097367 3.464777 3.721845 4.449485 5.746372 5.361333 5.190437 5.810237 5.812541 5.543119 6.531066 7.012332 7.006639 6.610947 3.032496 2.128791 3.356850 5.529460 6.032622 4.758509 6.979980 6.501711 7.841900 6.511257 6.060620 6.919549 3.763325 4.469816 2.953661 0.978199 0.000000 4.263511 3.969918 4.664874 5.586988 3.568126 5.617586 4.974563 1.825733 2.319819 4.848323 4.005304 2.322238 5.092149 4.691644 4.451236 5.652384 6.417989 7.033483 6.709099 7.826349 7.798407 7.714063 7.558721 3.027324 2.149887 3.042940 6.481617 6.835124 5.623712 7.499802 6.853801 8.310559 6.328414 6.099317 6.755095 5.123561 5.797702 4.357196 0.980839 1.539806 0.000000 3.509221 4.214995 3.209668 4.736878 2.739872 6.897983 3.688245 4.175311 3.880223 3.777147 3.582337 4.795051 3.884526 6.179211 5.587917 4.370311 4.726862 4.181050 3.788501 4.875800 5.612530 5.546380 5.108853 3.860028 3.272335 4.075300 3.747829 4.339223 3.045976 5.519598 5.204717 6.376938 6.319224 5.658421 6.835724 2.731360 3.125172 1.760528 2.787477 1.833510 3.098673 0.000000 3.550549 4.232764 2.875157 4.778957 3.154047 7.231009 4.223042 4.467340 4.081098 4.659901 4.527659 5.202152 4.681572 6.524529 5.829746 4.974991 5.213936 4.314767 3.750147 4.908786 5.886809 5.701115 5.346449 4.789554 4.162614 4.938930 3.391427 4.089591 2.633629 5.449157 5.171762 6.227279 6.982208 6.310965 7.571620 3.327859 3.541948 2.364007 3.418676 2.463854 3.612030 0.965596 0.000000 2.615946 3.413906 2.593654 3.821063 1.753260 6.009387 2.857672 3.765604 3.322076 3.518099 3.293557 4.283102 3.406421 5.343218 4.739854 3.641528 4.072101 4.177784 3.735621 4.990531 5.099974 4.963671 4.746899 3.549951 3.108794 3.545797 3.535871 3.925183 2.776672 4.844810 4.423448 5.711851 5.454269 4.821841 6.038336 3.076293 3.343398 2.229970 2.944815 2.147468 3.014889 0.986942 1.554227 0.000000 3.612241 3.595753 4.894789 4.055516 2.781477 3.243886 3.191719 3.526000 3.338232 4.038186 3.370874 3.010067 3.688998 2.780631 2.948572 3.565364 4.516516 6.866816 6.678467 7.827527 6.183303 6.126111 6.418957 2.751587 3.135424 1.777550 6.562386 6.386692 5.936828 6.102475 5.348741 6.860955 2.770774 2.929162 3.253204 5.788912 6.134521 5.411361 4.203386 4.382301 3.778996 4.786002 5.467973 3.976309 0.000000 3.896758 4.088851 5.223153 4.016927 3.090410 3.411088 2.963769 4.468927 4.187545 4.005716 3.529611 3.957580 3.489808 3.214666 3.405027 3.129827 4.056270 6.774446 6.650215 7.737113 5.721808 5.703964 6.080902 3.245528 3.814394 2.339650 6.621925 6.328127 6.110670 5.814893 5.107353 6.547801 1.798920 2.094537 2.322781 5.970900 6.207671 5.719162 5.043483 5.138186 4.695733 5.309666 5.995050 4.454505 0.982364 0.000000 2.029771 2.500101 3.176220 2.800502 0.984204 3.878500 2.061244 3.243251 2.702909 3.608720 3.163169 3.229059 3.140120 3.340816 2.937472 2.842343 3.631817 5.457445 5.113035 6.403423 5.114785 4.927943 5.205770 3.032980 3.070111 2.380904 4.824710 4.723181 4.150307 4.725871 4.001715 5.535167 3.450180 3.113992 4.145453 4.655392 4.870814 4.125550 3.687331 3.470124 3.321176 3.312883 3.868933 2.382649 1.802347 2.217400 0.000000 3.566051 3.199282 4.903208 3.951914 3.104048 2.320071 3.804619 3.224061 2.995104 4.979134 4.304555 2.593548 4.591690 1.813731 2.121254 4.288548 5.184632 7.536088 7.246686 8.495625 6.778954 6.600926 7.058388 3.568016 3.793287 2.601376 6.913556 6.697143 6.227728 6.322278 5.476964 6.994394 3.255800 3.555681 3.831165 6.571000 6.891033 6.101490 4.564022 4.788991 3.949617 5.247130 5.816468 4.409927 0.980542 1.573975 2.177892 0.000000 5.076150 6.063186 5.354241 5.751878 3.746328 7.656874 3.117445 6.053642 5.869161 1.033725 1.677814 6.226548 1.636955 7.130090 6.830539 3.001026 3.341449 3.452803 3.821896 4.208345 4.407954 4.889660 3.958191 3.064305 3.271010 3.561914 4.875382 5.162352 4.688465 5.850217 5.753350 6.811534 5.113071 4.329347 5.238243 1.516808 2.023154 1.945838 4.261959 3.775503 4.816256 3.180062 4.008037 3.139525 4.686157 4.762929 3.906074 5.567438 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6037,-1.5649,-.9914;1.9724,-1.8486,-1.3459;-.1517,-1.5075,-2.1892;.1375,-2.6823,-.2248;.4786,-.3274,-.2854;4.0034,-2.7188,1.2129;-.6934,-.2458,1.1003;3.7477,.4359,-1.6031;3.0988,-.286,-1.6001;-.7542,2.5654,1.6372;.2548,2.6484,1.4231;4.2148,.3318,-.7638;-.9369,1.5773,1.8162;4.0277,-1.9504,.6287;3.3628,-2.1329,-.055;-1.12,.0337,1.9404;-2.0639,-.2599,1.8865;-4.037,1.0885,-.4202;-3.6605,.4352,-1.0607;-4.913,1.3139,-.7577;-3.686,-.8025,1.6345;-3.4356,-1.584,1.1033;-3.9464,-.1298,.9731;1.7496,2.7073,1.1676;1.9298,2.8218,.2034;2.0814,1.8053,1.3676;-2.9541,-.8602,-1.9761;-2.9521,-1.6044,-1.3388;-2.0152,-.7523,-2.1914;-2.6623,-2.8334,-.01;-1.6898,-2.8853,-.0182;-2.979,-3.7374,-.129;.8128,-.8399,3.698;.0238,-.555,3.1876;.8422,-.2571,4.4667;-2.069,3.0239,-.4974;-2.8376,2.4103,-.4593;-1.458,2.6022,-1.1448;2.2895,2.8305,-1.5305;1.4116,2.5306,-1.8408;2.8389,2.019,-1.5718;-.2132,1.6959,-1.9985;-.4641,1.2775,-2.8318;.024,.9543,-1.392;2.4331,.0859,1.6499;1.9559,-.2762,2.4285;1.2206,-.1622,.3397;3.0849,-.5947,1.379;-1.2892,2.7978,.7838; 0.2492129 0.1872212 0.1689860 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= 612 612 612 612 612 MxSgAt= 49 MxSgA2= 49. 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= 598 RedAO= T EigKep= 6.83D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 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= 611 611 611 611 611 MxSgAt= 49 MxSgA2= 49. 1 -2.01127444e+00 -1.46652098e+00 1.13700960e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 0.000127425 -0.007739024 -0.001974274 -0.005679713 0.001795188 -0.009223348 0.009641246 0.004402995 0.001828331 -0.004239303 0.001352151 0.009676541 0.002091676 -0.004450254 0.000560293 -0.003049959 0.000030554 0.001555659 0.000121417 0.003385688 -0.002444409 0.002885830 -0.000395049 -0.003319865 -0.000610045 0.003395166 0.006294981 -0.000211613 -0.001036459 -0.000158087 0.001439695 -0.000367228 0.002526392 -0.004017439 -0.001915673 -0.000734670 0.000297060 -0.000885717 -0.000551712 0.000275971 -0.001951469 -0.002454822 0.003899753 0.003307283 0.000885588 -0.001378772 0.000342784 0.001309870 -0.000723205 -0.000629240 -0.001009270 -0.001585737 -0.001356111 0.000574931 0.000422854 0.000650923 0.000232047 0.002234241 -0.000744119 0.001511056 -0.000666258 -0.001543119 0.002424696 -0.000742319 0.003874602 -0.000059619 0.002925518 -0.000710052 -0.000989580 -0.000728795 -0.001492714 -0.002170691 0.000218011 -0.000416434 -0.000479330 -0.001591653 0.001504991 0.000421168 0.002116125 0.000210131 0.001074499 -0.002599529 0.000375571 0.001450182 -0.000927708 0.000653024 -0.004584145 0.002358297 -0.003352405 0.001135380 -0.003353786 0.001153797 -0.004857223 -0.000258501 0.002289218 0.002448044 -0.002359460 0.002068042 0.000156592 0.003749188 0.000209002 0.001275011 -0.001763461 -0.003478045 -0.000152838 0.002666021 -0.001239255 -0.000276435 0.000615397 0.000104419 0.000991267 -0.000135442 0.001360425 -0.001289731 0.000895865 -0.002011497 -0.002308934 0.002204249 0.001018775 0.002565921 -0.001353910 0.001458119 -0.001070501 0.001246222 -0.001996758 -0.000917489 0.001622795 0.002305638 0.000150596 -0.003381836 0.001515920 0.001249274 0.000999841 -0.001119050 -0.000863577 -0.000244294 0.000084633 -0.000086797 -0.000377224 0.000793243 0.000577128 -0.000675784 0.000184945 -0.000468391 -0.002398952 -0.000997559 -0.000429704 0.009676541 0.002472376 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1471.94521535125 -1471.94521626384 -0.000000912591 -1471.94521626059 0.000000003250 -1471.94521627668 -0.000000016089 -1471.94521627676 -0.000000000081 -1471.94521628 5 1.467084501686e+03 -7.767883402108e+03 2.686310291428e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 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) PT88366.400S Fri Jul 19 04:47:27 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 47 48 49 B F F F 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 1.133394 -0.484039 -0.482380 -0.445502 -1.139334 0.313752 0.398633 -0.603694 0.316617 -0.675562 0.471456 0.305859 0.455516 -0.620300 0.316682 -0.857318 0.486916 -0.776737 0.432868 0.348784 -0.738794 0.371119 0.381594 -0.765102 0.426955 0.384896 -0.677592 0.391331 0.315004 -0.669052 0.313104 0.345142 -0.718375 0.403304 0.315416 -0.757678 0.403312 0.394094 -0.769646 0.366883 0.383973 -0.696741 0.327764 0.393491 -0.937117 0.441099 0.534879 0.459425 0.481703 -0.00000 -24.65145 -24.64483 -24.64411 -19.16813 -19.13834 -19.13321 -19.13162 -19.13117 -19.13053 -19.12938 -19.12465 -19.12346 -19.12335 -19.12276 -19.12003 -19.11771 -19.11334 -19.11319 -6.85572 -1.19992 -1.15838 -1.15461 -1.07304 -1.03101 -1.02758 -1.02612 -1.02358 -1.02183 -1.01957 -1.01630 -1.01192 -1.00911 -1.00541 -1.00214 -0.99910 -0.99409 -0.99208 -0.57912 -0.56689 -0.56521 -0.55168 -0.54745 -0.54412 -0.54173 -0.54114 -0.53980 -0.53423 -0.53313 -0.53108 -0.53038 -0.52539 -0.52391 -0.52210 -0.51742 -0.50215 -0.49617 -0.44393 -0.43981 -0.43735 -0.43461 -0.42804 -0.42398 -0.42177 -0.41645 -0.41315 -0.40671 -0.40512 -0.39865 -0.39694 -0.39647 -0.39386 -0.38648 -0.38304 -0.37980 -0.37454 -0.37278 -0.35977 -0.33570 -0.33473 -0.33253 -0.33085 -0.32896 -0.32746 -0.32697 -0.32552 -0.32445 -0.32326 -0.32124 -0.31845 -0.31659 -0.31434 -0.00814 0.01150 0.02006 0.02610 0.04661 0.05439 0.05939 0.06181 0.07068 0.08488 0.09346 0.09527 0.10099 0.10540 0.11014 0.11324 0.11415 0.12230 0.12859 0.13231 0.13963 0.14176 0.14512 0.15045 0.15168 0.15636 0.15678 0.16684 0.16812 0.16949 0.17506 0.17795 0.17996 0.18405 0.18812 0.18988 0.19236 0.19320 0.19849 0.20295 0.20694 0.20814 0.21591 0.21741 0.21882 0.22065 0.22372 0.23374 0.23479 0.23731 0.24097 0.24725 0.25099 0.25282 0.25479 0.25791 0.26447 0.26512 0.26631 0.27150 0.27377 0.27595 0.27691 0.28205 0.28308 0.28478 0.28807 0.28957 0.29299 0.29464 0.29528 0.30241 0.30664 0.31099 0.31418 0.31681 0.31958 0.32389 0.32817 0.32945 0.33975 0.34819 0.35282 0.35887 0.36875 0.37229 0.37425 0.38404 0.38950 0.40299 0.41317 0.42229 0.43056 0.43390 0.44420 0.44974 0.45483 0.47126 0.47255 0.48817 0.49593 0.50069 0.50933 0.51035 0.51408 0.52009 0.52379 0.52795 0.53851 0.53910 0.54636 0.55087 0.55605 0.56492 0.56888 0.57582 0.57748 0.58367 0.58644 0.59042 0.59394 0.59949 0.61546 0.61941 0.62724 0.62951 0.64026 0.64691 0.64818 0.65592 0.66261 0.66501 0.67374 0.67699 0.68668 0.69069 0.69777 0.70077 0.71878 0.73071 0.73523 0.75259 0.78147 0.84393 0.93973 0.95341 0.95789 0.96163 0.97348 0.98023 0.98388 0.99101 0.99404 0.99927 1.00455 1.01355 1.01743 1.02085 1.02674 1.03331 1.03825 1.04116 1.05484 1.05716 1.05989 1.07097 1.07881 1.08115 1.08236 1.08728 1.09097 1.09348 1.10062 1.10733 1.11326 1.11806 1.12106 1.12497 1.13442 1.13636 1.14121 1.14449 1.14857 1.15426 1.17118 1.18027 1.19897 1.20482 1.21682 1.22951 1.23502 1.24090 1.25376 1.26623 1.27699 1.28107 1.29226 1.29865 1.30575 1.31138 1.31577 1.31781 1.32061 1.32736 1.33795 1.34061 1.34826 1.35112 1.36058 1.36713 1.37674 1.38043 1.38929 1.39897 1.40324 1.40719 1.41187 1.41864 1.42692 1.42990 1.43700 1.43974 1.44645 1.45768 1.45892 1.46889 1.48089 1.48501 1.49051 1.49219 1.50426 1.50552 1.51114 1.51886 1.52651 1.53716 1.54514 1.55284 1.55896 1.56940 1.57202 1.57437 1.58100 1.58897 1.60602 1.61623 1.62145 1.62302 1.63106 1.63499 1.64312 1.65500 1.65897 1.67028 1.67601 1.69452 1.70024 1.71620 1.71775 1.72916 1.73644 1.74047 1.74579 1.75279 1.75945 1.76780 1.77414 1.79045 1.79187 1.80664 1.81963 1.82757 1.84283 1.86161 1.87366 1.88916 1.90130 2.02589 2.02862 2.03435 2.03929 2.05653 2.07118 2.08120 2.12386 2.15413 2.16445 2.18370 2.20225 2.21502 2.22588 2.24368 2.27113 2.27191 2.28675 2.29447 2.31632 2.32356 2.32950 2.33370 2.34720 2.35332 2.36930 2.39050 2.40032 2.41389 2.42237 2.43118 2.44553 2.45579 2.49700 2.50644 2.52090 2.56626 2.57164 2.59276 2.59455 2.60219 2.62315 2.63524 2.67507 2.69486 2.71493 2.71796 2.72646 2.72876 2.73688 2.74285 2.75141 2.75937 2.78028 2.78718 2.79890 2.80094 2.80974 2.81871 2.83155 2.83935 2.86280 2.87051 2.88559 2.92655 2.96574 2.98230 3.07460 3.08198 3.08681 3.08978 3.09304 3.09602 3.10006 3.10675 3.11246 3.11276 3.11857 3.12469 3.12844 3.13533 3.13991 3.14640 3.15162 3.15914 3.16086 3.16510 3.17223 3.17252 3.17962 3.18923 3.19360 3.20754 3.21055 3.23669 3.25543 3.29061 3.29791 3.30708 3.31603 3.31896 3.32264 3.33097 3.33558 3.33849 3.34849 3.35200 3.36097 3.36429 3.37002 3.38207 3.52571 3.56954 3.67989 3.69173 3.70236 3.70993 3.71329 3.72544 3.72928 3.73416 3.74401 3.76674 3.76953 3.77888 3.78878 3.80461 3.81028 3.82079 3.84237 3.85145 3.85552 3.88701 3.89708 3.90849 3.91053 3.91514 3.91952 3.92239 3.92388 3.92914 3.93828 3.94640 3.95161 3.95440 3.95586 3.96278 3.97147 3.98563 4.00083 4.02908 4.09870 4.21630 4.23259 4.39045 4.65764 4.66647 4.99155 5.01073 5.01698 5.01933 5.02373 5.02597 5.03762 5.05669 5.06205 5.06725 5.09359 5.10819 5.13325 5.22160 5.24188 5.37857 5.38188 5.39699 5.40418 5.41468 5.42305 5.43373 5.45300 5.46223 5.47915 5.48915 5.49925 5.50903 5.53328 5.62562 5.63921 5.64728 5.65909 5.66428 5.67727 5.68791 5.70125 5.70551 5.72677 5.73208 5.74661 5.75427 5.76412 5.77221 5.79423 6.36640 6.40074 6.42727 6.45670 6.46008 6.48140 6.53058 6.64414 6.70668 14.59084 49.88055 49.88233 49.89347 49.89757 49.91111 49.91569 49.91978 49.93183 49.94171 49.94505 49.95475 49.96217 49.98338 49.98644 50.01186 66.85658 66.86575 66.87656 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F 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 1.119774 -0.452427 -0.466132 -0.433138 -1.110184 0.318954 0.406707 -0.623116 0.324159 -0.657222 0.468754 0.312744 0.471678 -0.646568 0.309766 -0.853260 0.469332 -0.754787 0.410925 0.347802 -0.771601 0.392419 0.384141 -0.777504 0.416011 0.393540 -0.676692 0.374254 0.320223 -0.697026 0.317291 0.353775 -0.735575 0.403471 0.322635 -0.755571 0.394423 0.390940 -0.765135 0.365393 0.381253 -0.702641 0.329409 0.395948 -0.901937 0.434317 0.524010 0.438972 0.487496 -0.00000 -2.13284801e+00 -1.82613407e+00 9.43278230e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.4212 -4.6416 2.3976 7.5287 -127.0786 -141.9469 -132.5056 -10.2139 22.3539 -1.0582 6.7651 -8.1032 1.3381 -10.2139 22.3539 -1.0582 -115.1815 -191.0848 36.5968 -58.9020 -50.5542 2.3569 8.5283 21.9914 14.8969 -1.5359 -4119.9228 -2763.6843 -1812.1978 -238.1406 407.6414 36.1317 26.1921 131.6112 49.0511 -1073.8642 -1278.9828 -922.4377 -20.5747 91.8628 -110.0867 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.9452163 9.825E-9 2.209E-5 17.5434157,-4.7878874,-12.7555284,3.6026621,9.9229619,2.7644496 C01 [X(B1F3H30O15)] -0.3437412 0.4864513 2.9015146 -0.000065907 0.000037563 -0.000000490 0.000019646 -0.000026389 0.000045031 0.000020440 0.000006794 0.000015486 0.000034867 -0.000003218 -0.000045031 -0.000023300 -0.000060125 -0.000033573 0.000010017 -0.000009797 0.000005997 0.000008304 -0.000037567 0.000024727 -0.000009827 0.000016110 0.000016481 -0.000001258 0.000005099 0.000002869 -0.000005477 -0.000002645 -0.000015639 0.000003174 -0.000013695 0.000006758 -0.000004524 -0.000005413 -0.000009434 -0.000012891 0.000014844 -0.000012159 0.000033476 0.000017074 0.000017172 -0.000032495 -0.000009398 -0.000013978 0.000001844 0.000041385 0.000004377 0.000019432 0.000011661 0.000006682 -0.000000919 0.000011968 0.000005594 0.000004666 0.000005844 0.000015365 0.000000780 -0.000004914 -0.000011342 -0.000041526 0.000009506 -0.000023906 0.000076656 -0.000021768 0.000020350 -0.000011388 -0.000005045 0.000000352 -0.000016528 0.000001331 -0.000010526 -0.000008614 -0.000003190 0.000011168 0.000000112 0.000009376 -0.000003976 0.000009409 -0.000028963 -0.000001070 0.000010020 -0.000002969 -0.000015739 0.000001700 0.000006712 -0.000004377 -0.000082525 0.000006075 -0.000013832 0.000045001 0.000005392 0.000022383 0.000016854 -0.000008883 -0.000004171 0.000004134 0.000003326 0.000026613 -0.000013478 -0.000011512 -0.000027633 -0.000003567 0.000001141 0.000003779 -0.000020719 0.000030881 0.000003201 0.000006027 -0.000017028 -0.000040305 0.000016067 -0.000043671 0.000016604 -0.000005630 0.000025748 0.000021529 -0.000020723 -0.000019950 -0.000027252 0.000011695 -0.000027945 -0.000010198 0.000028974 0.000051926 0.000006528 0.000001330 -0.000011568 -0.000005554 -0.000032048 0.000000124 -0.000000060 -0.000001977 0.000017907 0.000030469 0.000020296 0.000016779 -0.000033160 0.000026333 0.000029296 0.000025790 -0.000023549 -0.000000370 0.000003921 0.000007618 -0.000007837 0.000004178 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4733,1.8629,-.1797;-1.1503,2.462,-1.3032;.7667,2.5292,-.0148;-1.2785,2.1295,.9754;-.2444,.4648,-.3755;-4.4094,1.639,-1.6647;-.4575,-.6461,1.0461;-.8266,1.1413,-3.8698;-.8281,1.6006,-3.0146;.6386,-3.0899,.0356;.2556,-2.8958,-.9059;-1.6927,.7147,-3.9058;.126,-2.4976,.6899;-3.6521,1.4602,-2.2364;-2.9217,1.9735,-1.8546;-.63,-1.4579,1.5725;-.2132,-1.3111,2.4584;3.0884,-1.0027,2.6497;2.9696,-.0522,2.4025;3.9149,-1.0445,3.147;.5888,-.9251,3.9406;.4043,.0337,3.8931;1.5082,-1.0141,3.6175;-.3849,-2.6017,-2.2499;.2058,-2.0271,-2.7943;-1.1564,-2.0291,-2.0486;2.5234,1.5931,2.0721;1.7286,1.7219,2.6305;2.193,1.7616,1.1767;.0738,1.7836,3.4165;-.4921,1.937,2.6389;-.1255,2.496,4.0366;-3.309,-1.7583,1.006;-2.3876,-1.7198,1.3434;-3.5376,-2.696,.9976;3.0101,-2.1626,.145;3.1071,-1.8202,1.0627;2.881,-1.3526,-.4003;1.1486,-.8438,-3.7146;1.6937,-.515,-2.9719;.4593,-.1538,-3.8185;2.2882,.0244,-1.3235;2.7661,.8581,-1.2298;1.3832,.1981,-.9703;-2.4047,-.9037,-1.4697;-2.8314,-1.2054,-.6379;-.9883,.0117,-.8339;-2.9346,-.1469,-1.7982;1.6167,-2.7566,.0652; Gaussian 16 GINC-HORCAJUELO LAMSABHI Optimization 15-agua-BF3/ CONF40 water EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4733,1.8629,-.1797;-1.1503,2.462,-1.3032;.7667,2.5292,-.0148;-1.2785,2.1295,.9754;-.2444,.4648,-.3755;-4.4094,1.639,-1.6647;-.4575,-.6461,1.0461;-.8266,1.1413,-3.8698;-.8281,1.6006,-3.0146;.6386,-3.0899,.0356;.2556,-2.8958,-.9059;-1.6927,.7147,-3.9058;.126,-2.4976,.6899;-3.6521,1.4602,-2.2364;-2.9217,1.9735,-1.8546;-.63,-1.4579,1.5725;-.2132,-1.3111,2.4584;3.0884,-1.0027,2.6497;2.9696,-.0522,2.4025;3.9149,-1.0445,3.147;.5888,-.9251,3.9406;.4043,.0337,3.8931;1.5082,-1.0141,3.6175;-.3849,-2.6017,-2.2499;.2058,-2.0271,-2.7943;-1.1564,-2.0291,-2.0486;2.5234,1.5931,2.0721;1.7286,1.7219,2.6305;2.193,1.7616,1.1767;.0738,1.7836,3.4165;-.4921,1.937,2.6389;-.1255,2.496,4.0366;-3.309,-1.7583,1.006;-2.3876,-1.7198,1.3434;-3.5376,-2.696,.9976;3.0101,-2.1626,.145;3.1071,-1.8202,1.0627;2.881,-1.3526,-.4003;1.1486,-.8438,-3.7146;1.6937,-.515,-2.9719;.4593,-.1538,-3.8185;2.2882,.0244,-1.3235;2.7661,.8581,-1.2298;1.3832,.1981,-.9703;-2.4047,-.9037,-1.4697;-2.8314,-1.2054,-.6379;-.9883,.0117,-.8339;-2.9346,-.1469,-1.7982;1.6167,-2.7566,.0652; Optimization 15-agua-BF3/ CONF40 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 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 11.0093053 18.9984033 18.9984033 18.9984033 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 3 1 1 1 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 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF40/opt-b3lyp.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 1 1 1 1 5 5 6 7 8 8 8 10 10 10 11 13 14 14 16 16 17 18 18 18 18 19 21 21 22 24 24 25 26 27 27 28 30 30 33 33 33 36 36 36 38 39 39 40 42 42 45 45 45 2 3 4 5 44 47 14 16 9 12 41 11 13 49 24 16 15 48 17 34 21 19 20 23 37 27 22 23 30 25 26 39 45 28 29 30 31 32 34 35 46 37 38 49 42 40 41 42 43 44 46 47 48 1.442 1.4173 1.433 1.4302 1.7533 0.9842 0.9656 0.9828 0.9707 0.9661 1.8257 1.0348 1.0207 1.0337 1.5176 1.5593 0.971 1.8137 0.99 1.7918 1.7289 0.9893 0.9654 1.8531 1.7853 1.7364 0.9776 0.9786 1.8435 0.9876 0.9816 1.7708 1.7775 0.9799 0.9692 1.833 0.9739 0.9653 0.9819 0.9651 1.7989 0.9843 0.985 1.5168 1.7605 0.9782 0.9808 1.8335 0.9656 0.9869 0.9824 1.8023 0.9805 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 2 3 3 4 1 1 44 9 9 12 11 11 13 6 6 15 7 7 7 13 13 17 19 19 19 20 20 23 17 17 22 21 11 11 25 19 19 28 22 22 22 28 28 31 34 34 35 16 37 37 38 25 25 40 38 38 38 40 40 43 26 26 26 46 46 47 1 1 1 1 1 1 5 5 5 8 8 8 10 10 10 14 14 14 16 16 16 16 16 16 18 18 18 18 18 18 21 21 21 22 24 24 24 27 27 27 30 30 30 30 30 30 33 33 33 34 36 36 36 39 39 39 42 42 42 42 42 42 45 45 45 45 45 45 3 4 5 4 5 5 44 47 47 12 41 41 13 49 49 15 48 48 13 17 34 17 34 34 20 23 37 23 37 37 22 23 23 30 25 26 26 28 29 29 28 31 32 31 32 32 35 46 46 33 38 49 49 40 41 41 40 43 44 43 44 44 46 47 48 47 48 48 107.8213 106.6722 112.0007 108.079 109.6013 112.4688 110.1045 113.1303 118.2679 103.9054 108.1801 108.6141 106.7663 108.4087 105.6484 105.026 109.3546 94.3525 99.3522 106.4407 102.968 113.6547 107.8016 123.3044 105.8531 91.953 102.6531 117.4328 115.4072 118.0592 95.1514 97.6109 104.5047 167.8006 110.3967 105.2517 104.1093 102.9765 115.3506 103.1242 85.2429 117.3956 124.8555 100.8091 119.1247 106.0597 105.2681 93.0303 110.7048 165.9521 104.0646 106.0118 99.9312 97.2824 98.68 103.6266 110.5189 117.2492 104.9972 120.1124 94.3706 105.495 112.7267 83.3732 139.3811 101.4568 106.6161 98.678 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 10 10 16 18 18 24 24 27 18 36 39 8 5 33 5 14 10 10 10 16 18 18 24 24 27 18 36 39 8 5 33 5 14 10 11 13 17 19 23 25 26 28 37 38 40 41 44 46 47 48 49 11 13 17 19 23 25 26 28 37 38 40 41 44 46 47 48 49 24 16 21 27 21 39 45 30 36 42 42 39 42 45 45 45 36 24 16 21 27 21 39 45 30 36 42 42 39 42 45 45 45 36 1 8 3 6 1 1 8 1 1 7 2 3 8 4 2 1 1 1 8 3 6 1 1 8 1 1 7 2 3 8 4 2 1 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 178.9973 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 173.7879 174.681 174.4221 166.8391 174.3434 180.5589 170.5251 170.7736 169.0263 169.7343 175.9865 179.0948 174.7217 184.027 168.1307 175.8056 183.1598 182.3558 180.958 172.6475 177.8865 183.1863 189.389 174.0284 179.976 185.2712 167.5897 177.9332 181.705 170.9997 186.4147 180.0832 178.4254 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 2 2 3 3 4 4 1 1 1 47 47 47 1 1 1 44 44 44 9 9 12 12 11 11 11 49 49 49 13 13 49 49 11 11 13 13 6 6 6 15 15 15 7 7 13 13 34 34 7 13 17 19 19 20 20 37 37 20 20 23 23 37 37 19 19 20 20 23 23 17 23 21 21 21 11 11 26 26 11 11 11 25 25 25 19 19 19 29 29 29 35 46 34 34 34 35 35 35 37 37 37 49 49 49 25 25 25 41 41 41 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 21 21 22 22 22 24 24 24 24 24 24 24 24 24 24 27 27 27 27 27 27 33 33 33 33 33 33 33 33 36 36 36 36 36 36 39 39 39 39 39 39 5 5 5 5 5 5 42 42 42 42 42 42 45 45 45 45 45 45 39 39 39 39 16 16 16 16 16 16 24 24 24 24 36 36 36 36 45 45 45 45 45 45 21 21 21 21 21 21 34 34 34 21 21 21 21 21 21 27 27 27 27 27 27 36 36 36 36 36 36 22 22 30 30 30 39 39 39 39 45 45 45 45 45 45 30 30 30 30 30 30 34 34 45 45 45 45 45 45 42 42 42 42 42 42 42 42 42 42 42 42 44 47 44 47 44 47 38 40 43 38 40 43 26 46 48 26 46 48 25 40 25 40 7 17 34 7 17 34 25 26 25 26 37 38 37 38 26 46 47 26 46 47 22 23 22 23 22 23 33 33 33 17 22 17 22 17 22 28 29 28 29 28 29 38 49 38 49 38 49 30 30 28 31 32 40 41 40 41 46 47 48 46 47 48 22 31 32 22 31 32 16 16 26 47 48 26 47 48 40 43 44 40 43 44 38 43 44 38 43 44 96.9902 -37.8204 -22.6317 -157.4423 -142.8807 82.3087 136.5266 -111.2201 11.5864 -91.351 20.9023 143.7088 154.6357 -93.2434 15.496 19.5703 131.6912 -119.5695 79.1453 -19.8268 -32.3555 -131.3276 -51.0571 -162.7018 55.0308 62.4241 -49.2206 168.512 104.2104 -7.4006 -9.1664 -120.7774 143.6114 36.388 30.6397 -76.5836 169.9418 -6.7637 -109.1144 -83.9374 99.357 -2.9936 32.71 -72.38 139.3313 34.2412 -83.9323 170.9777 30.0834 -74.3398 150.0035 86.8347 -8.5222 -165.1258 99.5174 -16.6883 -112.0451 -112.082 138.029 5.8006 -104.0884 123.9075 14.0185 -0.0747 -102.7719 -114.2486 143.0541 97.2044 -5.4929 -30.8889 68.3576 -61.1756 38.5441 176.3303 -16.9474 -121.5961 93.8209 -10.8279 -40.8202 57.8541 150.0507 -154.9343 -56.26 35.9366 1.0898 -115.863 129.3522 118.9886 2.0358 -112.749 120.825 8.4013 56.7542 -28.1509 -129.7267 -49.4399 -134.3449 124.0792 -166.963 47.2547 -68.2695 -59.7481 154.4697 38.9455 49.5612 -164.3495 -56.1505 148.1688 -65.7419 42.4571 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00017 0.00022 0.00084 0.00109 0.00127 0.00146 0.00161 0.00185 0.00192 0.00241 0.00261 0.00286 0.00304 0.00312 0.00336 0.00362 0.00399 0.00436 0.00460 0.00477 0.00520 0.00560 0.00578 0.00617 0.00640 0.00653 0.00670 0.00708 0.00757 0.00777 0.00799 0.00822 0.00869 0.00894 0.00916 0.00944 0.00982 0.01017 0.01027 0.01053 0.01103 0.01117 0.01174 0.01181 0.01189 0.01244 0.01271 0.01291 0.01312 0.01353 0.01359 0.01429 0.01439 0.01499 0.01517 0.01536 0.01637 0.01676 0.01716 0.01744 0.01775 0.01802 0.01846 0.01886 0.01931 0.02047 0.02082 0.02103 0.02195 0.02395 0.02511 0.02640 0.02698 0.02786 0.02964 0.03072 0.03242 0.03389 0.03722 0.04041 0.04142 0.04373 0.04586 0.04683 0.04958 0.05060 0.05321 0.05426 0.05580 0.05692 0.05961 0.06175 0.06195 0.06858 0.07286 0.08176 0.08696 0.09330 0.09924 0.14451 0.15962 0.17348 0.19237 0.20221 0.22320 0.25962 0.27964 0.28400 0.30177 0.32171 0.33657 0.37553 0.39164 0.40772 0.41211 0.41746 0.42844 0.43090 0.43316 0.44323 0.44879 0.45046 0.45723 0.46175 0.46829 0.47247 0.47290 0.47505 0.47770 0.48129 0.49643 0.50065 0.50734 0.52363 0.52553 0.52585 0.52610 0.52633 0.52673 0.55274 1.07233 Angle between quadratic step and forces= 81.15 degrees. 1 2 3 0.00173106 0.00001374 0.00000000 0.00002904 0.00000415 0.00000415 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 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 2.72504 2.67832 2.70805 2.70266 3.31318 1.85988 1.82466 1.85722 1.83442 1.82574 3.45014 1.95553 1.92885 1.95346 2.86780 2.94668 1.83488 3.42745 1.87081 3.38593 3.26717 1.86941 1.82443 3.50178 3.37369 3.28136 1.84731 1.84930 3.48374 1.86638 1.85504 3.34632 3.35908 1.85172 1.83161 3.46385 1.84038 1.82411 1.85560 1.82386 3.39947 1.86003 1.86138 2.86635 3.32692 1.84853 1.85352 3.46483 1.82471 1.86505 1.85640 3.40594 1.85296 1.88184 1.86178 1.95478 1.88634 1.91290 1.96295 1.92169 1.97450 2.06416 1.81349 1.88810 1.89567 1.86342 1.89209 1.84391 1.83305 1.90860 1.64676 1.73402 1.85774 1.79713 1.98365 1.88149 2.15207 1.84748 1.60488 1.79163 2.04959 2.01424 2.06052 1.66070 1.70363 1.82395 2.92867 1.92679 1.83699 1.81705 1.79728 2.01325 1.79986 1.48777 2.04894 2.17914 1.75945 2.07912 1.85109 1.83728 1.62369 1.93216 2.89641 1.81627 1.85026 1.74413 1.69790 1.72229 1.80863 1.92892 2.04638 1.83255 2.09636 1.64708 1.84124 1.96745 1.45514 2.43266 1.77076 1.86080 1.72226 3.12409 3.03317 3.04876 3.04424 2.91189 3.04287 3.15135 2.97622 2.98056 2.95006 2.96242 3.07154 3.12579 3.04947 3.21188 2.93443 3.06839 3.19674 3.18271 3.15831 3.01327 3.10471 3.19720 3.30546 3.03737 3.14117 3.23359 2.92499 3.10552 3.17135 2.98451 3.25355 3.14305 3.11411 1.69280 -0.66009 -0.39500 -2.74789 -2.49374 1.43656 2.38284 -1.94116 0.20222 -1.59438 0.36481 2.50819 2.69890 -1.62740 0.27046 0.34157 2.29844 -2.08688 1.38135 -0.34604 -0.56471 -2.29210 -0.89111 -2.83968 0.96047 1.08951 -0.85906 2.94109 1.81881 -0.12916 -0.15998 -2.10796 2.50649 0.63509 0.53476 -1.33664 2.96604 -0.11805 -1.90440 -1.46498 1.73411 -0.05225 0.57090 -1.26327 2.43179 0.59762 -1.46489 2.98412 0.52505 -1.29748 2.61806 1.51555 -0.14874 -2.88199 1.73691 -0.29127 -1.95556 -1.95620 2.40906 0.10124 -1.81669 2.16259 0.24467 -0.00130 -1.79371 -1.99401 2.49676 1.69654 -0.09587 -0.53911 1.19306 -1.06772 0.67272 3.07754 -0.29579 -2.12225 1.63748 -0.18898 -0.71245 1.00974 2.61888 -2.70411 -0.98192 0.62721 0.01902 -2.02219 2.25762 2.07674 0.03553 -1.96784 2.10879 0.14663 0.99055 -0.49133 -2.26416 -0.86289 -2.34476 2.16559 -2.91405 0.82475 -1.19153 -1.04280 2.69600 0.67973 0.86501 -2.86844 -0.98001 2.58603 -1.14741 0.74102 -0.00005 0.00002 -0.00006 0.00001 -0.00001 -0.00005 -0.00001 -0.00004 0.00000 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00004 -0.00002 -0.00000 0.00001 -0.00002 -0.00001 -0.00000 0.00000 0.00002 -0.00002 -0.00002 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00004 -0.00001 -0.00001 0.00000 0.00001 -0.00002 -0.00003 -0.00000 0.00002 -0.00002 -0.00002 0.00002 -0.00001 0.00002 -0.00003 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00002 -0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 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 0.00001 0.00000 0.00000 -0.00002 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00026 0.00019 -0.00025 0.00011 -0.00048 -0.00003 -0.00001 -0.00013 -0.00001 -0.00000 0.00104 -0.00008 0.00004 0.00001 0.00027 0.00005 -0.00009 -0.00130 0.00006 0.00033 -0.00091 0.00002 -0.00001 0.00008 0.00090 -0.00086 -0.00021 -0.00003 0.00238 -0.00002 0.00003 -0.00018 -0.00064 -0.00003 0.00002 0.00150 -0.00010 -0.00003 -0.00007 0.00000 0.00108 -0.00010 -0.00017 -0.00003 0.00153 -0.00011 -0.00009 0.00138 -0.00004 0.00006 -0.00015 -0.00143 0.00006 0.00011 0.00004 -0.00007 -0.00005 -0.00009 0.00007 -0.00043 -0.00041 0.00042 0.00015 0.00053 -0.00032 0.00021 0.00007 -0.00012 -0.00004 -0.00227 0.00039 -0.00016 0.00014 0.00137 0.00019 -0.00282 0.00134 0.00002 -0.00067 0.00005 0.00085 -0.00048 0.00000 0.00049 0.00000 -0.00002 -0.00170 -0.00121 -0.00026 -0.00017 0.00098 0.00134 0.00002 -0.00351 0.00377 0.00281 -0.00239 -0.00337 0.00005 0.00005 -0.00070 0.00003 0.00075 0.00005 0.00012 0.00116 0.00143 0.00001 -0.00006 -0.00316 0.00178 -0.00038 0.00142 -0.00024 0.00023 -0.00099 0.00142 -0.00013 0.00090 0.00017 0.00155 -0.00041 0.00080 0.00093 -0.00019 -0.00146 -0.00005 0.00003 0.00056 0.00006 -0.00022 -0.00068 -0.00101 0.00070 0.00021 -0.00064 -0.00057 0.00014 -0.00043 0.00048 -0.00009 0.00024 0.00077 0.00033 0.00085 0.00094 0.00058 -0.00041 0.00098 0.00013 0.00083 -0.00079 -0.00025 0.00058 -0.00023 -0.00129 -0.00110 -0.00133 -0.00114 -0.00124 -0.00106 0.00171 -0.00182 -0.00015 0.00135 -0.00218 -0.00052 0.00045 -0.00041 0.00032 0.00154 0.00067 0.00140 -0.00075 -0.00214 -0.00098 -0.00236 -0.00120 -0.00134 -0.00027 -0.00098 -0.00112 -0.00005 -0.00007 0.00087 0.00009 0.00102 0.00146 0.00098 0.00119 0.00071 -0.00346 0.00152 0.00013 -0.00367 0.00131 -0.00008 0.00012 0.00002 0.00037 0.00027 -0.00311 -0.00321 -0.00634 -0.00580 -0.00406 -0.00125 -0.00166 -0.00181 -0.00222 -0.00072 -0.00112 -0.00199 -0.00307 -0.00125 -0.00232 -0.00141 -0.00248 0.00246 0.00117 0.00253 0.00124 0.00175 0.00046 0.02415 0.02428 -0.02347 -0.02794 -0.01746 -0.00033 -0.00048 -0.00112 -0.00127 -0.00235 -0.00083 0.00306 -0.00071 0.00081 0.00471 0.00199 -0.00159 0.00177 0.00391 0.00033 0.00369 0.00448 0.00467 0.00251 0.00084 -0.00129 0.00282 0.00116 -0.00097 -0.00001 -0.00042 -0.00121 0.00044 0.00002 -0.00076 -0.00015 0.00028 0.00060 0.00017 0.00060 0.00092 -0.00026 0.00019 -0.00025 0.00011 -0.00048 -0.00003 -0.00001 -0.00013 -0.00001 -0.00000 0.00104 -0.00008 0.00003 0.00002 0.00027 0.00005 -0.00009 -0.00130 0.00006 0.00033 -0.00091 0.00003 -0.00001 0.00008 0.00090 -0.00085 -0.00021 -0.00003 0.00237 -0.00002 0.00004 -0.00018 -0.00064 -0.00003 0.00002 0.00150 -0.00010 -0.00003 -0.00007 0.00000 0.00108 -0.00010 -0.00017 -0.00003 0.00153 -0.00011 -0.00009 0.00138 -0.00004 0.00006 -0.00015 -0.00143 0.00006 0.00011 0.00004 -0.00007 -0.00005 -0.00009 0.00007 -0.00043 -0.00041 0.00042 0.00015 0.00053 -0.00032 0.00021 0.00007 -0.00012 -0.00004 -0.00227 0.00039 -0.00016 0.00015 0.00137 0.00019 -0.00282 0.00134 0.00002 -0.00067 0.00006 0.00086 -0.00048 0.00000 0.00049 0.00000 -0.00003 -0.00173 -0.00121 -0.00025 -0.00017 0.00098 0.00134 0.00002 -0.00353 0.00376 0.00279 -0.00238 -0.00336 0.00003 0.00005 -0.00070 0.00003 0.00075 0.00005 0.00012 0.00116 0.00143 0.00001 -0.00006 -0.00316 0.00178 -0.00038 0.00142 -0.00024 0.00023 -0.00099 0.00143 -0.00013 0.00090 0.00017 0.00155 -0.00041 0.00079 0.00093 -0.00019 -0.00147 -0.00005 0.00002 0.00056 0.00006 -0.00021 -0.00068 -0.00101 0.00069 0.00021 -0.00065 -0.00058 0.00013 -0.00043 0.00048 -0.00009 0.00023 0.00078 0.00033 0.00085 0.00094 0.00058 -0.00041 0.00098 0.00013 0.00083 -0.00079 -0.00025 0.00058 -0.00023 -0.00129 -0.00110 -0.00133 -0.00114 -0.00124 -0.00106 0.00171 -0.00182 -0.00015 0.00135 -0.00218 -0.00051 0.00046 -0.00041 0.00031 0.00154 0.00067 0.00140 -0.00075 -0.00214 -0.00098 -0.00236 -0.00120 -0.00134 -0.00028 -0.00098 -0.00112 -0.00006 -0.00006 0.00087 0.00009 0.00102 0.00146 0.00098 0.00119 0.00071 -0.00346 0.00152 0.00013 -0.00367 0.00131 -0.00008 0.00010 0.00002 0.00036 0.00028 -0.00313 -0.00321 -0.00634 -0.00579 -0.00406 -0.00125 -0.00166 -0.00182 -0.00222 -0.00072 -0.00112 -0.00199 -0.00307 -0.00125 -0.00232 -0.00141 -0.00249 0.00246 0.00118 0.00253 0.00124 0.00175 0.00046 0.02415 0.02428 -0.02346 -0.02795 -0.01744 -0.00033 -0.00048 -0.00112 -0.00127 -0.00235 -0.00083 0.00306 -0.00071 0.00081 0.00471 0.00199 -0.00158 0.00176 0.00391 0.00034 0.00368 0.00448 0.00467 0.00250 0.00084 -0.00129 0.00282 0.00116 -0.00097 -0.00001 -0.00042 -0.00121 0.00043 0.00003 -0.00076 -0.00015 0.00028 0.00060 0.00016 0.00060 0.00092 2.72478 2.67851 2.70781 2.70277 3.31270 1.85985 1.82465 1.85709 1.83442 1.82574 3.45118 1.95545 1.92888 1.95347 2.86807 2.94673 1.83479 3.42615 1.87087 3.38625 3.26626 1.86944 1.82442 3.50186 3.37460 3.28051 1.84709 1.84926 3.48611 1.86636 1.85508 3.34614 3.35845 1.85169 1.83163 3.46535 1.84028 1.82407 1.85553 1.82386 3.40054 1.85993 1.86121 2.86633 3.32844 1.84842 1.85343 3.46622 1.82467 1.86511 1.85625 3.40451 1.85302 1.88195 1.86182 1.95471 1.88628 1.91282 1.96302 1.92126 1.97409 2.06458 1.81364 1.88863 1.89535 1.86364 1.89216 1.84379 1.83301 1.90633 1.64715 1.73386 1.85789 1.79850 1.98384 1.87868 2.15341 1.84751 1.60421 1.79169 2.05044 2.01375 2.06052 1.66119 1.70363 1.82392 2.92694 1.92558 1.83673 1.81688 1.79826 2.01459 1.79987 1.48424 2.05270 2.18193 1.75707 2.07576 1.85112 1.83733 1.62298 1.93219 2.89716 1.81632 1.85038 1.74529 1.69933 1.72230 1.80857 1.92576 2.04817 1.83216 2.09777 1.64684 1.84147 1.96646 1.45656 2.43252 1.77166 1.86097 1.72381 3.12368 3.03396 3.04968 3.04405 2.91042 3.04282 3.15137 2.97678 2.98062 2.94985 2.96174 3.07053 3.12649 3.04968 3.21123 2.93386 3.06852 3.19631 3.18319 3.15822 3.01350 3.10548 3.19753 3.30631 3.03831 3.14176 3.23318 2.92597 3.10565 3.17218 2.98372 3.25330 3.14362 3.11388 1.69151 -0.66119 -0.39633 -2.74903 -2.49498 1.43550 2.38455 -1.94297 0.20207 -1.59303 0.36263 2.50768 2.69936 -1.62781 0.27077 0.34311 2.29912 -2.08548 1.38059 -0.34818 -0.56569 -2.29446 -0.89232 -2.84102 0.96019 1.08852 -0.86018 2.94103 1.81875 -0.12830 -0.15990 -2.10694 2.50795 0.63607 0.53596 -1.33593 2.96259 -0.11653 -1.90428 -1.46865 1.73542 -0.05233 0.57100 -1.26325 2.43215 0.59790 -1.46802 2.98091 0.51871 -1.30327 2.61400 1.51430 -0.15040 -2.88381 1.73469 -0.29199 -1.95668 -1.95819 2.40599 0.09999 -1.81901 2.16118 0.24218 0.00116 -1.79253 -1.99149 2.49801 1.69829 -0.09541 -0.51497 1.21734 -1.09118 0.64477 3.06011 -0.29611 -2.12273 1.63636 -0.19026 -0.71480 1.00891 2.62194 -2.70482 -0.98111 0.63192 0.02101 -2.02378 2.25939 2.08065 0.03587 -1.96416 2.11328 0.15130 0.99305 -0.49048 -2.26545 -0.86007 -2.34360 2.16462 -2.91407 0.82433 -1.19273 -1.04237 2.69603 0.67897 0.86485 -2.86816 -0.97941 2.58620 -1.14681 0.74194 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000057 0.000011 0.007344 0.001735 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -7.651758e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 91 91 2142.5889052745 49 49 49 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) -0.0609311844 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 1.442031 0.000000 1.417305 2.310673 0.000000 1.433041 2.306251 2.307151 0.000000 1.430187 2.381197 2.326844 2.380255 0.000000 4.212855 3.380809 5.505132 4.124704 4.515306 0.000000 2.792412 3.957165 3.564571 2.895313 1.816688 5.309215 0.000000 3.776570 2.904641 4.396129 4.965561 3.606440 4.236413 5.243720 0.000000 2.869065 1.942938 3.522028 4.050040 2.931817 3.827476 4.655549 0.970735 0.000000 5.080641 5.984694 5.620771 5.639222 3.685733 7.122976 2.862671 5.941522 5.784116 0.000000 4.868601 5.553389 5.521344 5.580840 3.438673 6.549977 3.062633 5.123786 5.083132 1.034820 0.000000 4.085228 3.181384 4.947814 5.098948 3.823948 3.641120 5.281881 0.966142 1.525297 5.953508 5.082329 0.000000 4.486568 5.495396 5.116223 4.843978 3.169892 6.574648 1.973686 5.911012 5.606198 1.020701 1.649870 5.894661 0.000000 3.807462 2.851959 5.060029 4.049367 4.008220 0.965566 5.041458 3.279266 2.932644 6.653986 6.001179 2.679963 6.204939 0.000000 2.968514 1.918484 4.159058 3.276155 3.410535 1.536632 4.620446 3.023809 2.422377 6.472034 5.891094 2.702359 5.979474 0.970975 0.000000 3.757931 4.889352 4.512933 3.694081 2.764075 5.861276 0.982800 6.034316 5.516820 2.575873 2.999054 5.988416 1.559317 5.670612 5.363910 0.000000 4.135401 5.409649 4.671687 3.895138 3.344565 6.581185 1.580099 6.814460 6.229806 3.124071 3.748269 6.840759 2.156454 6.445726 6.060290 0.989989 0.000000 5.376126 6.752468 4.996378 5.628823 4.734263 9.044888 3.907959 7.901100 7.362113 4.146275 4.924551 8.293522 3.853771 8.681810 8.078849 3.897930 3.321468 0.000000 4.710525 6.084969 4.166485 4.984283 4.279575 8.593751 3.733320 7.428108 6.819051 4.501485 5.137834 7.881581 4.123010 8.225181 7.545462 3.952454 3.423203 0.989251 0.000000 6.227042 7.599714 5.716578 6.462308 5.655609 9.982365 4.867249 8.746094 8.213281 4.959646 5.765718 9.180467 4.743865 9.618380 8.992396 4.827565 4.193561 0.965446 1.559646 0.000000 5.087039 6.480310 5.254422 4.648651 4.610359 7.935779 3.090484 8.202203 7.534086 4.465245 5.242484 8.334294 3.640612 7.863212 7.369547 2.716104 1.728910 2.814366 2.965881 3.421557 0.000000 4.550155 5.942631 4.650850 3.967024 4.339150 7.525839 3.051320 7.937562 7.189650 4.969171 5.624479 8.104582 4.092128 7.487317 6.918193 2.946141 2.061125 3.134438 2.968258 3.747479 0.977553 0.000000 5.159681 6.585154 5.128181 4.962738 4.604720 8.364174 3.257587 8.133696 7.502037 4.230329 5.056826 8.356723 3.561223 8.186519 7.648147 2.991806 2.096418 1.853062 2.130118 2.452421 0.978605 1.546763 0.000000 4.921986 5.208010 5.713806 5.795274 3.596692 5.875642 3.833176 4.102275 4.294219 2.551374 1.517572 3.930692 2.985742 5.212835 5.246365 3.997435 4.885036 6.215054 6.276725 7.073833 6.487073 6.730920 6.366432 0.000000 4.735942 4.920827 5.366537 5.804381 3.501781 6.001391 4.134690 3.501530 3.778548 3.053744 2.079231 3.515203 3.516804 5.230263 5.164221 4.482388 5.317840 6.244691 6.208491 7.072594 6.835258 7.000590 6.620754 0.987646 0.000000 4.371157 4.552597 5.349081 5.143285 3.138522 4.917812 3.460951 3.671098 3.770393 2.948087 2.012566 3.356362 3.059989 4.294061 4.378943 3.703494 4.660293 6.414513 6.383125 7.326745 6.335253 6.480362 6.343148 0.981645 1.552983 0.000000 3.758207 5.063990 2.884037 3.993180 3.863320 7.875951 3.866860 6.836164 6.091630 5.443382 5.844795 7.367683 4.938837 7.531157 6.724099 4.416101 4.009085 2.718579 1.736421 3.169918 3.684506 3.199788 3.196300 6.688376 6.493002 6.606201 0.000000 3.572925 4.930507 2.928262 3.456657 3.809154 7.492086 3.591208 7.008596 6.198335 5.574503 5.999902 7.446025 4.913089 7.259992 6.465690 4.097935 3.605447 3.045075 2.177035 3.563623 3.165766 2.489564 2.916881 6.854108 6.767752 6.654883 0.979887 0.000000 2.993195 4.221098 2.010729 3.496733 3.167368 7.188894 3.583185 5.913500 5.169134 5.220701 5.457305 6.482747 4.759284 6.775319 5.949246 4.300121 4.107847 3.257763 2.322883 3.836879 4.175118 3.682989 3.759177 6.117641 5.837119 5.999222 0.969247 1.526737 0.000000 3.638450 4.922805 3.579045 2.812038 4.027445 6.777849 3.435809 7.369788 6.496656 5.958274 6.372832 7.607856 5.076013 6.778086 6.065796 3.795118 3.252350 4.175997 3.575496 4.777509 2.806606 1.843516 3.150389 7.179822 7.287879 6.776272 2.800766 1.832991 3.083525 0.000000 2.819644 4.030980 2.996186 1.850090 3.363913 5.827134 3.034957 6.565720 5.673508 5.772893 6.039942 6.765280 4.883319 5.829381 5.108428 3.561139 3.265124 4.632700 3.999567 5.345015 3.324853 2.449333 3.697032 6.671765 6.761759 6.176134 3.087558 2.231114 3.062436 0.973888 0.000000 4.277713 5.437299 4.148549 3.291622 4.858707 7.182711 4.350448 8.052201 7.142482 6.913379 7.324276 8.289202 6.016636 7.270504 6.542009 4.686106 4.122239 4.949075 4.329385 5.445308 3.496225 2.522760 3.894287 8.097799 8.199360 7.653059 3.419243 2.452333 3.754147 0.965277 1.549303 0.000000 4.749680 5.272858 6.002922 4.386176 4.030132 4.459309 3.060964 6.192168 5.796721 4.277646 4.201766 5.731789 3.527764 4.581385 4.717981 2.754660 3.448681 6.648230 6.654446 7.568155 4.949629 5.033401 5.529848 4.456727 5.183434 3.746613 6.810682 6.334662 6.533799 5.458873 4.925141 6.117089 0.000000 4.338157 5.101238 5.463300 4.022720 3.510023 4.941452 2.228590 6.148169 5.696431 3.570141 3.664533 5.827827 2.711121 4.952346 4.914556 1.791755 2.477585 5.675157 5.709862 6.590154 4.029397 4.167789 4.565866 4.207239 4.892965 3.621771 5.968631 5.517693 5.755863 4.757130 4.317842 5.490322 0.981941 0.000000 5.617679 6.131656 6.844933 5.328091 4.766588 5.161414 3.700145 6.765014 6.472976 4.303623 4.248645 6.251344 3.681754 5.267361 5.506212 3.212061 3.886273 7.035607 7.162849 7.930032 5.368786 5.601167 5.928941 4.527118 5.370185 3.923496 7.502401 7.065129 7.262315 6.241779 5.782172 6.916251 0.965144 1.547529 0.000000 5.333301 6.386960 5.203002 6.124019 4.214967 8.530920 3.890472 6.461749 6.235126 2.548655 3.037986 6.841323 2.954198 7.948608 7.502811 3.972960 4.057860 2.761346 3.090543 3.328735 4.669141 5.065803 3.953875 4.177833 4.064735 4.710560 4.249193 4.786340 4.139043 5.907355 5.940696 6.832197 6.390216 5.546836 6.624407 0.000000 5.284679 6.485367 5.055237 5.902623 4.303745 8.712221 3.752994 6.969464 6.619076 2.959806 3.628157 7.358612 3.079760 8.205571 7.697351 3.789034 3.637481 1.785282 2.222514 2.366078 3.927535 4.330516 3.119833 4.876277 4.830829 5.282158 3.606919 4.111491 3.698384 5.265769 5.436472 6.158173 6.416583 5.502781 6.702408 0.984284 0.000000 4.651785 5.622937 4.436988 5.596303 3.615447 7.981112 3.706274 5.657055 5.414152 2.869918 3.087038 6.122089 3.176451 7.346001 6.844624 4.028636 4.212822 3.077036 3.091022 3.707724 4.927562 5.146801 4.259377 3.955630 3.652758 4.413037 3.862333 4.468353 3.557889 5.681891 5.606790 6.598228 6.360612 5.561782 6.704938 0.985002 1.552502 0.000000 4.738412 4.693481 5.021136 6.060323 3.847372 6.423261 5.028170 2.804630 3.220653 4.400988 3.591174 3.246269 4.814631 5.526336 5.288151 5.611938 6.338680 6.655256 6.431274 7.400934 7.676110 7.694262 7.342925 2.754395 1.770799 3.081145 6.427664 6.868767 5.639490 7.675373 7.126876 8.535738 6.556647 6.233408 6.898916 4.483407 5.254674 3.774167 0.000000 4.259969 4.442564 4.344130 5.604393 3.384940 6.602851 4.559530 3.146660 3.292039 4.097367 3.464777 3.721845 4.449485 5.746372 5.361333 5.190437 5.810237 5.812541 5.543119 6.531066 7.012332 7.006639 6.610947 3.032496 2.128791 3.356850 5.529460 6.032622 4.758509 6.979980 6.501711 7.841900 6.511257 6.060620 6.919549 3.763325 4.469816 2.953661 0.978199 0.000000 4.263511 3.969918 4.664874 5.586988 3.568126 5.617586 4.974563 1.825733 2.319819 4.848323 4.005304 2.322238 5.092149 4.691644 4.451236 5.652384 6.417989 7.033483 6.709099 7.826349 7.798407 7.714063 7.558721 3.027324 2.149887 3.042940 6.481617 6.835124 5.623712 7.499802 6.853801 8.310559 6.328414 6.099317 6.755095 5.123561 5.797702 4.357196 0.980839 1.539806 0.000000 3.509221 4.214995 3.209668 4.736878 2.739872 6.897983 3.688245 4.175311 3.880223 3.777147 3.582337 4.795051 3.884526 6.179211 5.587917 4.370311 4.726862 4.181050 3.788501 4.875800 5.612530 5.546380 5.108853 3.860028 3.272335 4.075300 3.747829 4.339223 3.045976 5.519598 5.204717 6.376938 6.319224 5.658421 6.835724 2.731360 3.125172 1.760528 2.787477 1.833510 3.098673 0.000000 3.550549 4.232764 2.875157 4.778957 3.154047 7.231009 4.223042 4.467340 4.081098 4.659901 4.527659 5.202152 4.681572 6.524529 5.829746 4.974991 5.213936 4.314767 3.750147 4.908786 5.886809 5.701115 5.346449 4.789554 4.162614 4.938930 3.391427 4.089591 2.633629 5.449157 5.171762 6.227279 6.982208 6.310965 7.571620 3.327859 3.541948 2.364007 3.418676 2.463854 3.612030 0.965596 0.000000 2.615946 3.413906 2.593654 3.821063 1.753260 6.009387 2.857672 3.765604 3.322076 3.518099 3.293557 4.283102 3.406421 5.343218 4.739854 3.641528 4.072101 4.177784 3.735621 4.990531 5.099974 4.963671 4.746899 3.549951 3.108794 3.545797 3.535871 3.925183 2.776672 4.844810 4.423448 5.711851 5.454269 4.821841 6.038336 3.076293 3.343398 2.229970 2.944815 2.147468 3.014889 0.986942 1.554227 0.000000 3.612241 3.595753 4.894789 4.055516 2.781477 3.243886 3.191719 3.526000 3.338232 4.038186 3.370874 3.010067 3.688998 2.780631 2.948572 3.565364 4.516516 6.866816 6.678467 7.827527 6.183303 6.126111 6.418957 2.751587 3.135424 1.777550 6.562386 6.386692 5.936828 6.102475 5.348741 6.860955 2.770774 2.929162 3.253204 5.788912 6.134521 5.411361 4.203386 4.382301 3.778996 4.786002 5.467973 3.976309 0.000000 3.896758 4.088851 5.223153 4.016927 3.090410 3.411088 2.963769 4.468927 4.187545 4.005716 3.529611 3.957580 3.489808 3.214666 3.405027 3.129827 4.056270 6.774446 6.650215 7.737113 5.721808 5.703964 6.080902 3.245528 3.814394 2.339650 6.621925 6.328127 6.110670 5.814893 5.107353 6.547801 1.798920 2.094537 2.322781 5.970900 6.207671 5.719162 5.043483 5.138186 4.695733 5.309666 5.995050 4.454505 0.982364 0.000000 2.029771 2.500101 3.176220 2.800502 0.984204 3.878500 2.061244 3.243251 2.702909 3.608720 3.163169 3.229059 3.140120 3.340816 2.937472 2.842343 3.631817 5.457445 5.113035 6.403423 5.114785 4.927943 5.205770 3.032980 3.070111 2.380904 4.824710 4.723181 4.150307 4.725871 4.001715 5.535167 3.450180 3.113992 4.145453 4.655392 4.870814 4.125550 3.687331 3.470124 3.321176 3.312883 3.868933 2.382649 1.802347 2.217400 0.000000 3.566051 3.199282 4.903208 3.951914 3.104048 2.320071 3.804619 3.224061 2.995104 4.979134 4.304555 2.593548 4.591690 1.813731 2.121254 4.288548 5.184632 7.536088 7.246686 8.495625 6.778954 6.600926 7.058388 3.568016 3.793287 2.601376 6.913556 6.697143 6.227728 6.322278 5.476964 6.994394 3.255800 3.555681 3.831165 6.571000 6.891033 6.101490 4.564022 4.788991 3.949617 5.247130 5.816468 4.409927 0.980542 1.573975 2.177892 0.000000 5.076150 6.063186 5.354241 5.751878 3.746328 7.656874 3.117445 6.053642 5.869161 1.033725 1.677814 6.226548 1.636955 7.130090 6.830539 3.001026 3.341449 3.452803 3.821896 4.208345 4.407954 4.889660 3.958191 3.064305 3.271010 3.561914 4.875382 5.162352 4.688465 5.850217 5.753350 6.811534 5.113071 4.329347 5.238243 1.516808 2.023154 1.945838 4.261959 3.775503 4.816256 3.180062 4.008037 3.139525 4.686157 4.762929 3.906074 5.567438 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6037,-1.5649,-.9914;1.9724,-1.8486,-1.3459;-.1517,-1.5075,-2.1892;.1375,-2.6823,-.2248;.4786,-.3274,-.2854;4.0034,-2.7188,1.2129;-.6934,-.2458,1.1003;3.7477,.4359,-1.6031;3.0988,-.286,-1.6001;-.7542,2.5654,1.6372;.2548,2.6484,1.4231;4.2148,.3318,-.7638;-.9369,1.5773,1.8162;4.0277,-1.9504,.6287;3.3628,-2.1329,-.055;-1.12,.0337,1.9404;-2.0639,-.2599,1.8865;-4.037,1.0885,-.4202;-3.6605,.4352,-1.0607;-4.913,1.3139,-.7577;-3.686,-.8025,1.6345;-3.4356,-1.584,1.1033;-3.9464,-.1298,.9731;1.7496,2.7073,1.1676;1.9298,2.8218,.2034;2.0814,1.8053,1.3676;-2.9541,-.8602,-1.9761;-2.9521,-1.6044,-1.3388;-2.0152,-.7523,-2.1914;-2.6623,-2.8334,-.01;-1.6898,-2.8853,-.0182;-2.979,-3.7374,-.129;.8128,-.8399,3.698;.0238,-.555,3.1876;.8422,-.2571,4.4667;-2.069,3.0239,-.4974;-2.8376,2.4103,-.4593;-1.458,2.6022,-1.1448;2.2895,2.8305,-1.5305;1.4116,2.5306,-1.8408;2.8389,2.019,-1.5718;-.2132,1.6959,-1.9985;-.4641,1.2775,-2.8318;.024,.9543,-1.392;2.4331,.0859,1.6499;1.9559,-.2762,2.4285;1.2206,-.1622,.3397;3.0849,-.5947,1.379;-1.2892,2.7978,.7838; 0.2492129 0.1872212 0.1689860 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= 598 RedAO= T EigKep= 6.83D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 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= 611 611 611 611 611 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.94521627665 -1471.94521628 1 1.467084509229e+03 -7.767883382655e+03 2.686310264432e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 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= 49. Will process 50 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 15275 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 15099494400 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 790000000 NMat= 147 IRICut= 367 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 4.61D-14 1.00D-09 XBig12= 7.15D+01 1.05D+00. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 4.61D-14 1.00D-09 XBig12= 2.86D+00 1.28D-01. 147 vectors produced by pass 2 Test12= 4.61D-14 1.00D-09 XBig12= 3.72D-02 1.80D-02. 147 vectors produced by pass 3 Test12= 4.61D-14 1.00D-09 XBig12= 1.13D-04 6.74D-04. 147 vectors produced by pass 4 Test12= 4.61D-14 1.00D-09 XBig12= 1.79D-07 2.81D-05. 88 vectors produced by pass 5 Test12= 4.61D-14 1.00D-09 XBig12= 2.08D-10 1.09D-06. 6 vectors produced by pass 6 Test12= 4.61D-14 1.00D-09 XBig12= 1.85D-13 3.78D-08. 3 vectors produced by pass 7 Test12= 4.61D-14 1.00D-09 XBig12= 2.17D-16 2.22D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 832 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 186.36 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 192.002 -1.604 184.177 0.855 -3.202 182.886 178.523 -1.607 172.196 1.614 -2.808 171.585 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT33692.900S Fri Jul 19 05:24:38 2024 -24.65144 -24.64483 -24.64411 -19.16812 -19.13834 -19.13321 -19.13162 -19.13117 -19.13053 -19.12938 -19.12466 -19.12346 -19.12335 -19.12276 -19.12003 -19.11771 -19.11334 -19.11319 -6.85572 -1.19992 -1.15838 -1.15460 -1.07304 -1.03101 -1.02758 -1.02612 -1.02358 -1.02183 -1.01957 -1.01630 -1.01192 -1.00911 -1.00542 -1.00214 -0.99910 -0.99409 -0.99208 -0.57912 -0.56689 -0.56521 -0.55168 -0.54745 -0.54412 -0.54173 -0.54114 -0.53980 -0.53423 -0.53313 -0.53108 -0.53038 -0.52539 -0.52391 -0.52210 -0.51742 -0.50215 -0.49617 -0.44393 -0.43981 -0.43735 -0.43461 -0.42804 -0.42398 -0.42177 -0.41645 -0.41315 -0.40671 -0.40512 -0.39865 -0.39694 -0.39647 -0.39386 -0.38648 -0.38304 -0.37980 -0.37454 -0.37278 -0.35977 -0.33570 -0.33473 -0.33253 -0.33085 -0.32896 -0.32746 -0.32697 -0.32552 -0.32445 -0.32326 -0.32124 -0.31845 -0.31659 -0.31434 -0.00814 0.01150 0.02006 0.02610 0.04661 0.05439 0.05939 0.06181 0.07068 0.08488 0.09346 0.09527 0.10099 0.10540 0.11014 0.11324 0.11415 0.12230 0.12859 0.13231 0.13963 0.14176 0.14512 0.15045 0.15168 0.15636 0.15678 0.16684 0.16812 0.16949 0.17506 0.17795 0.17996 0.18405 0.18812 0.18988 0.19236 0.19320 0.19849 0.20295 0.20694 0.20814 0.21591 0.21741 0.21882 0.22065 0.22372 0.23374 0.23479 0.23731 0.24097 0.24725 0.25099 0.25282 0.25479 0.25791 0.26447 0.26512 0.26631 0.27150 0.27377 0.27595 0.27691 0.28205 0.28308 0.28478 0.28807 0.28957 0.29299 0.29464 0.29528 0.30241 0.30664 0.31099 0.31418 0.31681 0.31958 0.32389 0.32817 0.32945 0.33975 0.34819 0.35282 0.35887 0.36875 0.37229 0.37425 0.38404 0.38950 0.40299 0.41317 0.42229 0.43056 0.43390 0.44420 0.44974 0.45483 0.47126 0.47255 0.48817 0.49593 0.50069 0.50933 0.51035 0.51408 0.52009 0.52379 0.52795 0.53851 0.53910 0.54636 0.55087 0.55605 0.56492 0.56888 0.57582 0.57748 0.58367 0.58644 0.59042 0.59394 0.59949 0.61546 0.61941 0.62724 0.62951 0.64026 0.64691 0.64818 0.65592 0.66261 0.66501 0.67374 0.67699 0.68668 0.69069 0.69777 0.70077 0.71878 0.73071 0.73523 0.75259 0.78147 0.84393 0.93973 0.95341 0.95789 0.96163 0.97348 0.98023 0.98388 0.99101 0.99404 0.99927 1.00455 1.01355 1.01743 1.02085 1.02674 1.03331 1.03825 1.04116 1.05484 1.05716 1.05989 1.07097 1.07881 1.08115 1.08236 1.08728 1.09097 1.09348 1.10062 1.10733 1.11326 1.11806 1.12106 1.12497 1.13442 1.13636 1.14121 1.14449 1.14857 1.15426 1.17118 1.18027 1.19897 1.20482 1.21682 1.22951 1.23502 1.24090 1.25376 1.26623 1.27699 1.28107 1.29226 1.29865 1.30575 1.31138 1.31577 1.31781 1.32061 1.32736 1.33795 1.34061 1.34826 1.35112 1.36058 1.36713 1.37674 1.38043 1.38929 1.39897 1.40324 1.40719 1.41187 1.41864 1.42692 1.42990 1.43700 1.43974 1.44645 1.45768 1.45892 1.46889 1.48089 1.48501 1.49051 1.49219 1.50426 1.50552 1.51114 1.51886 1.52651 1.53716 1.54514 1.55284 1.55896 1.56940 1.57202 1.57437 1.58100 1.58897 1.60602 1.61623 1.62145 1.62302 1.63106 1.63499 1.64312 1.65500 1.65897 1.67028 1.67601 1.69452 1.70024 1.71620 1.71775 1.72916 1.73644 1.74047 1.74579 1.75279 1.75945 1.76780 1.77414 1.79045 1.79187 1.80664 1.81963 1.82757 1.84283 1.86161 1.87366 1.88916 1.90130 2.02589 2.02862 2.03435 2.03929 2.05653 2.07118 2.08120 2.12386 2.15413 2.16445 2.18370 2.20225 2.21502 2.22588 2.24368 2.27113 2.27191 2.28675 2.29447 2.31632 2.32356 2.32950 2.33370 2.34720 2.35332 2.36930 2.39050 2.40032 2.41389 2.42237 2.43118 2.44553 2.45579 2.49700 2.50644 2.52090 2.56626 2.57164 2.59276 2.59455 2.60219 2.62315 2.63524 2.67507 2.69486 2.71493 2.71796 2.72646 2.72876 2.73688 2.74285 2.75141 2.75937 2.78028 2.78718 2.79890 2.80094 2.80974 2.81871 2.83155 2.83935 2.86280 2.87051 2.88559 2.92655 2.96574 2.98230 3.07460 3.08198 3.08681 3.08978 3.09304 3.09602 3.10006 3.10675 3.11246 3.11276 3.11857 3.12469 3.12844 3.13533 3.13991 3.14640 3.15162 3.15914 3.16086 3.16510 3.17223 3.17252 3.17962 3.18923 3.19360 3.20754 3.21055 3.23669 3.25543 3.29061 3.29791 3.30708 3.31603 3.31896 3.32264 3.33097 3.33558 3.33849 3.34849 3.35200 3.36097 3.36429 3.37002 3.38207 3.52571 3.56954 3.67989 3.69173 3.70236 3.70993 3.71329 3.72544 3.72928 3.73416 3.74401 3.76674 3.76953 3.77888 3.78878 3.80461 3.81028 3.82079 3.84237 3.85145 3.85552 3.88701 3.89708 3.90849 3.91053 3.91514 3.91952 3.92238 3.92388 3.92914 3.93828 3.94640 3.95161 3.95440 3.95586 3.96278 3.97147 3.98563 4.00083 4.02908 4.09870 4.21630 4.23259 4.39045 4.65764 4.66647 4.99155 5.01073 5.01698 5.01933 5.02373 5.02597 5.03762 5.05669 5.06205 5.06725 5.09359 5.10819 5.13325 5.22160 5.24188 5.37857 5.38188 5.39699 5.40418 5.41468 5.42305 5.43373 5.45300 5.46223 5.47915 5.48915 5.49925 5.50903 5.53328 5.62562 5.63921 5.64728 5.65909 5.66428 5.67726 5.68791 5.70125 5.70551 5.72677 5.73208 5.74661 5.75427 5.76412 5.77221 5.79423 6.36640 6.40075 6.42727 6.45670 6.46008 6.48140 6.53058 6.64414 6.70668 14.59084 49.88055 49.88233 49.89347 49.89757 49.91111 49.91568 49.91978 49.93183 49.94171 49.94505 49.95475 49.96217 49.98338 49.98644 50.01186 66.85658 66.86575 66.87656 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F 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 1.119775 -0.452426 -0.466132 -0.433137 -1.110186 0.318954 0.406707 -0.623116 0.324159 -0.657221 0.468754 0.312744 0.471678 -0.646569 0.309767 -0.853260 0.469332 -0.754789 0.410926 0.347803 -0.771601 0.392419 0.384141 -0.777505 0.416011 0.393540 -0.676692 0.374254 0.320223 -0.697027 0.317291 0.353776 -0.735577 0.403472 0.322636 -0.755571 0.394423 0.390940 -0.765134 0.365393 0.381252 -0.702641 0.329409 0.395948 -0.901937 0.434316 0.524011 0.438972 0.487495 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 8 10 14 16 18 21 24 27 30 33 36 39 42 45 B F F F O O O O O O O O O O O O O O O 1.119775 -0.452426 -0.466132 -0.433137 -0.586175 0.013787 0.770706 -0.017848 0.022779 0.003940 0.004959 0.032047 0.017784 -0.025960 -0.009469 0.029793 -0.018489 0.022716 -0.028648 -0.00000 -2.13284675e+00 -1.82613464e+00 9.43277643e-01 1.92001818e+02 -1.60421947e+00 1.84177036e+02 8.54589116e-01 -3.20163918e+00 1.82886211e+02 -0.0009 -0.0007 0.0004 8.9922 11.4273 13.5218 27.7354 30.0759 39.7196 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 27.7083 29.8194 39.6835 46.5367 48.7395 54.4601 59.8021 63.9941 65.7262 70.1626 73.5792 74.3408 78.5225 85.7808 89.2281 95.5201 102.4233 112.8612 115.3976 116.7803 146.4421 149.4680 151.6370 157.9958 163.8491 178.5044 191.1924 194.4279 197.7066 205.4057 208.9469 212.4817 220.6679 222.3319 225.5335 229.4404 236.8747 241.5399 250.7525 255.5809 258.1802 263.0189 277.7851 294.2548 310.3444 312.9832 315.9434 317.4444 332.6718 336.5586 340.5227 356.5003 372.3677 419.1288 429.1242 432.8968 446.6414 457.2207 459.2638 463.5237 504.2602 510.6794 523.1782 527.8903 559.9237 569.6066 575.6873 579.1308 615.2428 627.9314 641.5986 651.9002 671.0148 686.9317 702.3799 717.3380 736.3812 742.3177 748.5364 756.0174 763.9570 777.3831 795.0017 827.3758 845.7830 869.2591 881.7181 885.8139 904.4892 945.9106 956.2517 987.3444 1059.3826 1066.6440 1246.9710 1351.1456 1599.7674 1600.3525 1606.3279 1608.8367 1619.1442 1631.5851 1632.3337 1644.4666 1648.1287 1652.8059 1657.7290 1669.2176 1673.2952 1756.5670 1766.3347 2387.2016 2510.0298 2776.3365 3279.3752 3301.3860 3330.3230 3338.1109 3377.2330 3414.4222 3425.0048 3428.8982 3451.7576 3473.9285 3485.0782 3497.5433 3512.7696 3513.3945 3530.3025 3545.9105 3566.7378 3649.8381 3702.9945 3719.7027 3755.0446 3825.0993 3825.3589 3826.7459 3828.6760 3834.7673 3835.0392 5.7609 6.1819 5.6036 6.7646 7.5697 6.2235 8.4590 6.1785 6.4483 6.2282 6.4741 6.7685 7.1478 7.1675 6.9014 7.1229 7.3978 6.4670 5.9757 6.1115 6.9980 6.7485 6.5162 6.7519 7.6614 3.4677 6.6200 3.7403 6.8172 4.7382 3.8492 5.0027 4.5463 4.9599 2.2744 1.6694 3.7318 1.5274 1.5811 3.3806 2.5608 1.7646 1.8962 1.4870 1.3715 1.5263 2.7537 2.4136 1.2997 5.8187 1.1042 8.9919 7.4019 1.0592 1.0730 1.0902 1.1525 1.1731 1.1096 1.0679 4.7948 6.2385 4.2945 1.0919 1.0417 1.0592 1.1026 1.0515 1.0336 1.0522 1.0365 1.0571 1.0531 1.0590 1.0493 1.0673 1.0569 7.6976 1.0465 1.0549 1.0740 1.0420 1.0687 1.0365 1.0506 1.3121 1.0574 1.1081 2.9461 4.3785 1.0789 1.0476 1.3182 3.1974 1.2045 1.0956 1.0795 1.0792 1.0737 1.0757 1.0776 1.0729 1.0732 1.0751 1.0657 1.0693 1.0718 1.0676 1.0680 1.0414 1.0348 1.1305 1.1013 1.0433 1.0667 1.0666 1.0671 1.0665 1.0659 1.0589 1.0728 1.0639 1.0683 1.0744 1.0615 1.0708 1.0611 1.0611 1.0553 1.0718 1.0794 1.0576 1.0546 1.0527 1.0664 1.0666 1.0738 1.0665 1.0675 1.0726 1.0740 0.0026 0.0032 0.0052 0.0086 0.0106 0.0109 0.0178 0.0149 0.0164 0.0181 0.0207 0.0220 0.0260 0.0311 0.0324 0.0383 0.0457 0.0485 0.0469 0.0491 0.0884 0.0888 0.0883 0.0993 0.1212 0.0651 0.1426 0.0833 0.1570 0.1178 0.0990 0.1331 0.1304 0.1445 0.0682 0.0518 0.1234 0.0525 0.0586 0.1301 0.1006 0.0719 0.0862 0.0759 0.0778 0.0881 0.1620 0.1433 0.0847 0.3883 0.0754 0.6733 0.6047 0.1096 0.1164 0.1204 0.1355 0.1445 0.1379 0.1352 0.7183 0.9586 0.6926 0.1793 0.1924 0.2025 0.2153 0.2078 0.2305 0.2445 0.2514 0.2647 0.2794 0.2944 0.3050 0.3236 0.3377 2.4991 0.3455 0.3553 0.3693 0.3710 0.3980 0.4180 0.4428 0.5842 0.4844 0.5123 1.4200 2.3082 0.5813 0.6017 0.8716 2.1433 1.1035 1.1784 1.6278 1.6285 1.6323 1.6405 1.6645 1.6829 1.6848 1.7130 1.7056 1.7211 1.7354 1.7526 1.7619 1.8932 1.9022 3.7959 4.0879 4.7381 6.7591 6.8493 6.9728 7.0017 7.1631 7.2734 7.4148 7.3699 7.4993 7.6395 7.5962 7.7175 7.7141 7.7176 7.7492 7.9400 8.0908 8.3010 8.5200 8.5818 8.8597 9.1950 9.2578 9.2016 9.2195 9.2931 9.3069 4.4685 0.3300 12.6654 2.4698 1.0118 3.2181 9.0039 1.9164 1.6338 2.1988 1.8326 0.3531 1.0993 2.3687 5.8620 0.9731 6.7070 5.4231 10.3549 1.9735 28.9863 3.9027 50.3864 29.2399 41.1650 33.6628 71.1803 19.5363 76.5297 28.3177 42.8635 23.0327 55.1656 36.9705 50.1955 158.5641 33.2261 173.2757 31.6599 69.5818 174.0972 62.9380 91.3357 105.0764 216.3963 68.8252 238.8596 59.5719 181.6958 39.6395 97.4723 6.0540 6.8623 196.7281 109.6348 13.0989 29.4995 214.5880 51.0117 16.1601 38.4117 44.6540 14.3230 67.6216 58.7233 278.4861 311.9122 97.2481 60.5224 68.0310 65.0263 171.1692 111.9397 234.9758 80.5487 323.0193 622.3271 43.3758 333.4823 59.0479 678.3707 164.5964 245.3391 42.0804 141.9202 299.9927 411.0116 63.7732 373.5976 413.3968 448.4945 197.0227 299.4652 649.5503 178.5694 528.6031 174.6616 202.4933 177.8695 140.3240 72.3117 230.6229 64.1614 134.7615 141.2712 77.8687 58.7364 94.1164 141.9904 50.4554 43.7681 4049.8246 2747.2943 1738.2166 1541.5667 1170.8104 1035.8901 1914.0596 155.2358 930.0187 977.7083 2006.5622 918.0940 1714.8104 1137.8768 275.1863 68.5260 1321.5329 175.2721 725.3511 1270.9789 443.1794 160.4359 484.3516 293.4444 123.5547 197.9897 117.3838 130.4013 193.4952 207.6636 0.01 -0.02 -0.05 0.02 -0.01 -0.03 0.03 0.03 -0.06 -0.00 -0.05 -0.10 0.00 -0.05 0.00 -0.16 -0.12 0.08 0.03 -0.05 0.02 0.02 -0.01 0.12 0.04 -0.03 0.07 0.01 -0.04 0.03 0.01 -0.03 0.00 -0.09 0.04 0.18 0.02 -0.05 0.02 -0.08 -0.13 0.06 -0.07 -0.10 0.04 0.02 -0.04 0.01 0.03 -0.06 0.01 -0.03 -0.00 0.07 -0.02 0.04 0.04 -0.04 -0.01 0.10 0.04 -0.09 -0.01 0.05 -0.06 -0.05 0.02 -0.06 0.03 0.00 -0.00 -0.04 -0.03 0.00 -0.05 0.03 0.00 -0.06 0.01 0.11 -0.04 0.03 0.08 -0.08 0.01 0.14 -0.04 -0.00 0.01 -0.15 -0.00 -0.03 -0.14 -0.04 0.03 -0.18 0.08 0.36 0.16 0.06 0.24 0.11 0.09 0.53 0.03 -0.04 -0.00 0.07 -0.04 0.00 0.08 -0.05 -0.01 0.06 -0.05 -0.04 -0.06 -0.05 -0.06 -0.03 -0.04 -0.04 -0.02 -0.07 -0.03 0.05 -0.11 -0.03 0.07 -0.05 -0.03 0.04 0.03 0.01 -0.04 0.05 0.11 0.02 0.01 -0.05 -0.01 -0.01 -0.05 0.00 -0.01 -0.02 0.05 -0.04 0.06 -0.07 -0.05 0.09 -0.13 -0.09 0.05 -0.04 0.03 0.05 -0.05 -0.03 0.06 -0.06 -0.29 -0.16 -0.00 -0.02 0.03 -0.03 0.07 0.04 0.22 0.06 0.05 0.10 -0.00 0.02 -0.05 0.00 0.02 -0.02 -0.08 0.03 0.30 -0.00 0.02 -0.03 -0.17 -0.17 -0.01 -0.16 -0.10 -0.05 0.00 0.02 -0.02 0.01 0.01 0.01 0.06 -0.07 0.01 0.02 -0.12 0.03 0.06 -0.06 0.02 0.01 -0.02 0.07 0.01 -0.05 0.10 0.02 -0.05 0.04 0.01 0.01 0.03 0.04 0.05 0.04 0.00 0.00 0.00 -0.06 -0.19 0.08 -0.06 -0.16 0.11 -0.06 -0.22 0.06 0.05 -0.10 0.16 0.05 -0.02 0.09 0.11 -0.13 0.21 -0.00 0.05 -0.00 -0.00 0.05 -0.01 0.01 0.08 -0.03 0.02 -0.03 -0.07 0.05 -0.07 -0.07 0.04 0.01 -0.08 0.11 0.07 0.06 0.12 0.08 0.02 0.09 0.06 0.10 0.11 0.09 -0.08 0.18 0.12 -0.11 0.07 0.07 -0.09 -0.02 -0.02 -0.05 -0.02 0.01 -0.04 -0.03 0.04 -0.05 -0.07 -0.06 -0.06 0.02 -0.00 -0.06 -0.05 -0.00 0.01 -0.05 -0.01 -0.00 -0.04 0.03 0.00 -0.07 -0.01 -0.02 -0.03 -0.01 0.03 0.19 0.04 -0.18 -0.01 -0.03 0.05 -0.06 -0.01 -0.22 -0.09 0.02 -0.13 0.01 -0.04 0.05 0.02 -0.04 0.08 0.12 -0.10 -0.33 0.00 -0.04 0.05 0.07 0.10 -0.12 0.05 0.08 -0.09 -0.02 -0.04 0.05 -0.02 -0.01 0.02 0.07 -0.04 -0.13 0.04 -0.08 -0.11 0.08 -0.02 -0.14 -0.03 0.03 -0.05 -0.04 0.01 -0.02 0.01 0.02 -0.09 0.03 -0.03 0.11 0.05 -0.01 0.12 0.02 -0.04 0.09 -0.03 -0.15 -0.07 -0.07 -0.12 -0.04 -0.02 -0.18 -0.04 -0.06 -0.06 0.03 -0.06 -0.04 0.01 -0.05 -0.07 0.09 0.01 0.23 0.16 0.01 0.15 0.12 0.04 0.37 0.05 0.06 -0.03 0.03 0.07 -0.05 -0.02 0.08 0.00 0.03 0.07 0.06 0.13 0.07 0.09 0.11 0.06 0.05 0.05 0.10 0.04 0.03 0.14 0.07 0.00 0.07 0.02 0.02 -0.02 -0.05 0.00 0.02 -0.01 0.04 -0.02 -0.04 0.03 0.00 -0.04 0.01 0.03 -0.04 0.04 -0.05 -0.00 0.06 -0.06 -0.08 0.08 -0.05 -0.02 0.06 -0.11 0.05 0.11 0.01 0.03 0.01 -0.01 0.01 0.06 0.08 0.00 0.03 -0.08 0.03 0.23 -0.07 0.02 0.12 0.01 -0.03 0.06 0.00 0.01 0.06 -0.22 0.03 0.30 0.04 -0.04 0.06 0.04 -0.06 -0.03 -0.00 -0.08 0.02 0.08 -0.04 0.05 0.07 -0.01 0.00 0.02 -0.04 -0.16 -0.01 -0.05 -0.17 0.01 -0.03 -0.13 0.06 0.08 -0.08 0.01 0.05 -0.06 0.07 0.07 -0.10 -0.00 0.09 0.03 -0.04 0.11 0.02 0.05 0.10 -0.01 -0.06 -0.08 -0.18 -0.09 -0.06 -0.16 -0.05 -0.09 -0.13 -0.11 0.01 -0.08 -0.11 0.02 -0.02 -0.10 -0.01 0.01 0.25 -0.04 -0.12 0.19 -0.06 -0.04 0.25 -0.10 -0.07 0.01 -0.04 0.06 0.01 -0.04 0.01 0.02 -0.01 0.05 -0.06 0.06 0.01 -0.05 0.05 0.01 -0.07 0.05 0.08 -0.02 -0.00 -0.01 -0.05 -0.00 0.00 -0.01 -0.00 -0.01 0.14 0.09 -0.12 0.16 0.07 -0.11 0.05 0.05 -0.04 0.13 0.09 -0.13 -0.00 -0.04 0.06 -0.02 0.13 0.06 -0.04 0.04 0.05 -0.03 0.17 0.07 -0.08 0.17 0.07 0.07 0.14 0.06 -0.14 -0.05 0.10 0.05 0.05 0.04 0.09 -0.16 -0.17 0.05 -0.12 -0.05 -0.01 0.01 -0.04 -0.03 0.00 -0.09 0.20 -0.14 -0.23 -0.01 0.02 0.00 -0.08 -0.06 0.09 -0.08 -0.02 0.08 0.02 0.01 0.04 0.04 -0.06 0.02 -0.03 -0.14 0.05 -0.05 -0.10 -0.00 -0.05 -0.14 0.11 0.08 -0.16 0.01 0.07 -0.15 -0.02 0.05 -0.15 0.03 -0.02 -0.01 -0.11 0.04 -0.06 -0.10 -0.01 0.01 -0.04 -0.07 -0.04 -0.11 -0.08 -0.07 -0.15 -0.06 -0.00 -0.05 -0.04 -0.07 -0.14 -0.04 0.04 -0.08 0.07 -0.12 -0.10 0.01 -0.05 0.01 0.02 -0.03 0.02 -0.01 -0.10 0.05 -0.12 -0.03 0.02 -0.07 -0.09 0.03 -0.09 0.02 0.01 0.16 -0.11 -0.09 0.14 -0.04 -0.08 0.11 -0.14 -0.11 0.02 0.14 0.04 0.01 0.10 0.06 0.03 0.16 0.06 0.08 0.04 0.10 0.04 0.03 0.07 0.07 0.10 0.06 0.03 0.01 0.07 -0.06 -0.00 -0.01 -0.05 -0.03 0.00 -0.05 -0.07 0.06 -0.02 -0.04 -0.02 -0.11 0.00 0.02 -0.04 -0.01 -0.03 0.18 0.16 -0.00 -0.01 -0.00 -0.02 -0.02 -0.02 0.07 -0.04 -0.00 0.02 -0.04 0.01 -0.09 -0.02 0.03 -0.02 -0.02 -0.10 0.06 -0.03 0.02 -0.07 0.10 0.14 -0.04 0.07 0.06 0.01 -0.00 0.00 -0.01 0.02 -0.07 0.03 0.03 -0.01 0.24 -0.02 0.03 0.18 0.02 0.03 0.30 0.04 -0.18 0.11 0.02 -0.14 0.04 0.02 -0.13 0.16 -0.01 0.07 0.08 0.02 0.08 0.09 -0.01 0.07 0.07 -0.04 0.13 0.03 -0.05 0.07 -0.04 -0.04 0.14 0.03 -0.10 -0.02 -0.14 -0.10 -0.03 -0.10 -0.10 -0.01 -0.19 0.02 0.03 -0.04 0.02 0.03 -0.03 0.03 0.04 -0.04 0.07 -0.06 -0.17 0.08 -0.06 -0.10 0.07 -0.09 -0.16 0.08 0.03 0.12 0.10 0.04 0.06 0.07 0.02 0.13 0.14 -0.03 -0.13 0.24 -0.02 -0.16 0.09 -0.04 -0.11 -0.04 0.05 -0.06 -0.00 0.03 -0.05 -0.03 0.01 -0.04 0.02 0.10 -0.05 0.02 -0.02 -0.14 0.03 0.01 0.09 -0.00 0.05 -0.09 -0.14 -0.14 0.20 0.21 0.05 0.27 0.07 0.06 0.01 -0.11 -0.21 -0.18 0.02 0.00 -0.02 -0.05 0.09 -0.08 -0.05 0.09 -0.05 -0.03 -0.03 -0.04 -0.02 -0.05 0.01 0.02 0.07 -0.12 -0.04 -0.02 -0.03 -0.07 -0.15 -0.11 -0.08 -0.05 -0.12 -0.01 -0.02 -0.03 -0.01 -0.04 -0.06 -0.09 0.09 0.02 -0.14 0.09 -0.01 -0.09 0.12 0.06 0.00 -0.06 -0.10 0.03 -0.02 -0.14 -0.02 -0.03 -0.06 -0.01 -0.08 0.06 -0.01 -0.05 0.07 -0.00 -0.08 0.04 -0.14 0.11 -0.04 -0.04 0.09 -0.06 -0.16 0.19 -0.07 0.14 0.05 -0.13 0.14 0.09 0.01 0.20 0.03 -0.14 -0.03 0.07 0.03 -0.01 0.05 0.00 -0.02 0.13 -0.01 0.04 -0.03 -0.09 0.01 0.01 -0.07 0.02 -0.06 -0.08 -0.05 0.08 0.08 -0.03 0.08 0.03 -0.03 0.10 0.03 0.03 -0.05 -0.09 0.06 -0.08 -0.08 0.05 -0.02 -0.06 0.09 -0.09 0.05 0.05 -0.07 0.03 0.06 0.05 0.02 0.02 -0.14 0.01 0.01 -0.03 -0.06 -0.00 -0.02 -0.02 -0.00 -0.06 0.01 0.00 -0.11 -0.02 -0.00 0.03 0.07 0.00 0.03 -0.11 -0.28 0.01 0.18 0.01 0.06 -0.10 -0.14 -0.01 -0.13 -0.11 -0.03 -0.06 0.10 0.07 0.10 0.10 0.08 0.11 -0.04 0.01 -0.18 0.09 0.06 0.04 -0.17 -0.03 0.14 -0.13 -0.02 0.09 0.03 0.04 -0.09 0.04 -0.00 -0.06 0.20 -0.02 0.04 0.17 -0.01 0.02 0.20 0.00 0.07 0.07 -0.11 -0.02 0.07 -0.10 -0.03 0.09 -0.09 -0.01 0.09 0.12 0.07 0.02 0.09 0.06 0.07 0.11 0.06 0.05 -0.05 -0.03 0.02 -0.07 -0.05 0.06 -0.11 -0.04 0.01 -0.09 -0.06 0.02 -0.04 -0.02 0.07 -0.11 -0.05 -0.09 -0.00 -0.05 -0.07 0.01 -0.08 -0.12 -0.02 -0.03 0.10 0.08 0.11 0.13 0.06 0.12 0.08 0.10 0.08 -0.10 0.02 0.04 -0.11 0.05 0.02 -0.12 0.01 -0.01 -0.08 0.02 -0.06 -0.14 0.06 -0.06 -0.06 -0.01 -0.10 -0.09 0.08 -0.02 -0.11 0.09 -0.03 -0.02 0.06 -0.08 -0.10 0.06 0.01 0.11 0.09 0.10 -0.04 0.00 0.00 -0.02 0.09 -0.01 -0.04 0.03 0.01 0.01 -0.06 -0.06 -0.09 -0.04 0.07 -0.07 0.04 -0.01 0.05 -0.01 0.19 -0.04 0.12 0.02 -0.04 0.12 0.02 0.09 0.01 -0.03 0.09 -0.01 -0.05 -0.08 0.16 0.05 0.09 0.03 0.05 -0.09 0.08 0.04 -0.06 0.09 0.01 0.07 0.02 0.19 0.06 0.04 0.18 0.08 -0.05 0.00 0.00 -0.04 -0.05 0.05 -0.01 0.09 0.10 0.03 0.04 0.12 0.04 0.03 0.12 0.03 0.04 0.07 -0.03 -0.10 0.04 -0.03 -0.10 0.03 -0.05 -0.09 -0.07 -0.02 -0.15 -0.05 0.00 -0.13 -0.08 0.02 -0.15 -0.01 0.08 -0.08 -0.01 -0.00 -0.08 -0.08 0.09 0.01 -0.00 -0.15 0.20 0.01 -0.10 0.22 0.01 -0.18 0.23 0.10 -0.08 -0.05 0.09 -0.08 -0.03 0.08 -0.09 -0.06 -0.06 0.10 -0.14 -0.05 0.04 -0.11 -0.02 0.13 -0.12 0.04 -0.10 -0.08 0.02 -0.14 -0.05 0.02 -0.06 -0.03 -0.12 -0.02 0.11 -0.08 -0.03 0.14 -0.08 -0.04 0.07 -0.12 -0.01 0.10 0.09 -0.05 -0.05 0.01 -0.04 -0.05 0.01 0.03 -0.11 -0.04 -0.04 -0.02 0.08 -0.08 -0.07 -0.03 -0.06 -0.01 -0.22 0.09 0.12 0.07 0.03 0.06 0.10 -0.13 -0.10 0.08 -0.11 -0.08 -0.08 0.06 0.02 -0.08 0.12 0.07 0.18 -0.19 -0.16 -0.01 0.04 0.03 -0.13 0.04 0.06 -0.09 0.03 0.03 0.09 0.05 0.07 0.08 0.07 0.06 -0.10 -0.01 -0.04 -0.11 -0.00 -0.06 -0.12 -0.02 -0.00 0.10 0.10 0.01 0.12 0.10 0.02 0.06 0.08 0.01 -0.06 0.16 0.15 -0.03 0.09 0.15 -0.07 0.16 0.18 -0.08 0.01 -0.06 -0.01 0.04 -0.03 -0.09 0.07 -0.09 0.07 0.10 -0.00 0.07 0.02 -0.04 -0.01 0.12 0.06 0.12 -0.05 0.01 0.10 -0.03 0.05 0.12 -0.10 0.05 -0.05 -0.06 -0.03 -0.06 -0.04 -0.04 -0.04 -0.08 -0.01 0.03 -0.17 0.19 0.04 -0.15 0.14 0.04 -0.16 0.15 -0.01 -0.06 0.01 0.04 -0.03 -0.01 -0.03 -0.08 0.00 -0.05 0.13 -0.04 -0.00 0.10 -0.02 -0.02 -0.02 -0.03 -0.03 0.14 -0.05 -0.07 0.00 -0.00 -0.04 -0.00 0.00 -0.04 0.06 -0.08 -0.12 -0.07 0.05 0.07 -0.01 0.06 -0.06 0.00 -0.01 0.30 0.19 -0.15 -0.03 0.06 -0.02 0.16 -0.09 0.20 0.13 -0.06 0.04 0.08 0.06 0.08 0.07 0.04 0.03 -0.05 -0.11 0.31 0.05 0.07 0.05 0.12 0.21 -0.13 0.11 0.11 -0.09 -0.04 0.06 -0.02 -0.03 0.04 -0.02 0.05 0.02 -0.00 -0.01 0.01 -0.03 0.04 0.06 0.04 0.01 -0.07 -0.07 0.05 -0.05 -0.09 0.01 -0.06 -0.06 0.07 0.00 -0.04 0.04 -0.05 -0.05 0.03 -0.01 -0.01 -0.13 -0.05 -0.06 -0.09 -0.05 -0.05 -0.13 -0.04 -0.08 0.06 -0.06 -0.07 0.06 -0.02 -0.04 0.09 -0.08 -0.02 -0.10 0.03 0.00 -0.08 0.05 -0.02 -0.09 0.06 -0.01 0.02 0.07 0.12 0.03 0.06 0.11 0.01 0.08 0.11 0.05 -0.18 -0.06 0.05 -0.18 -0.05 0.06 -0.18 0.01 -0.07 0.02 0.05 -0.17 0.03 0.07 -0.09 -0.00 0.04 -0.09 -0.01 -0.02 -0.07 -0.02 -0.01 -0.06 0.01 -0.01 -0.04 0.04 -0.02 0.05 0.08 0.10 0.00 -0.05 0.01 -0.01 -0.07 -0.02 -0.00 0.04 0.02 -0.02 -0.09 -0.06 0.05 -0.09 0.09 0.09 -0.13 -0.15 0.08 0.20 0.04 -0.10 0.03 0.03 -0.08 0.01 -0.00 -0.08 0.25 -0.06 -0.07 0.17 -0.04 -0.10 0.00 0.03 -0.09 0.25 -0.04 0.05 -0.10 -0.10 0.02 -0.06 -0.08 0.04 0.27 -0.00 0.07 0.15 0.01 0.07 -0.04 0.01 0.05 -0.04 -0.00 0.03 -0.09 0.06 0.19 -0.03 -0.00 0.19 -0.03 -0.00 0.14 -0.05 0.00 -0.05 -0.04 0.03 -0.01 -0.02 0.04 -0.09 -0.06 0.02 0.01 -0.05 -0.04 -0.01 -0.06 -0.05 0.01 -0.06 -0.02 0.00 -0.06 -0.05 0.00 -0.11 -0.08 -0.05 -0.06 0.04 -0.07 -0.01 -0.02 -0.02 0.11 -0.03 -0.02 -0.05 0.01 -0.09 0.14 -0.10 -0.05 0.09 -0.05 -0.05 0.08 -0.02 -0.05 0.05 0.06 -0.06 0.03 0.10 -0.05 0.05 0.04 -0.02 -0.03 0.17 0.02 -0.03 0.16 -0.00 -0.02 0.16 0.09 -0.09 0.04 0.06 -0.11 0.02 0.08 -0.12 0.06 0.06 -0.11 0.02 -0.07 0.23 -0.07 -0.04 -0.07 0.05 -0.03 0.04 -0.01 -0.07 -0.02 0.08 0.04 -0.16 -0.04 -0.09 -0.13 0.15 -0.23 0.05 0.10 -0.08 -0.05 0.07 0.02 0.04 -0.07 -0.02 0.07 -0.03 0.01 -0.02 -0.00 -0.00 -0.00 -0.03 0.05 0.03 -0.09 -0.01 -0.01 0.00 -0.12 0.01 0.05 -0.11 0.04 0.03 -0.11 -0.02 0.05 -0.10 -0.03 0.01 0.01 0.11 -0.01 0.01 0.07 0.02 0.03 0.13 -0.05 -0.10 -0.10 -0.12 -0.05 -0.07 -0.15 -0.07 -0.06 -0.09 -0.00 0.11 -0.09 0.03 0.14 -0.08 0.04 0.12 -0.09 -0.02 0.02 0.10 -0.03 -0.01 0.07 -0.02 -0.00 0.10 0.01 -0.14 -0.05 0.01 -0.17 -0.05 -0.02 -0.12 -0.10 0.09 -0.01 -0.14 0.02 -0.04 -0.05 0.05 -0.13 -0.05 0.06 0.06 0.01 0.04 0.07 -0.02 0.09 0.02 0.06 0.12 0.12 -0.11 0.10 0.06 0.01 0.13 0.13 -0.08 0.16 -0.01 0.20 0.17 0.00 0.19 0.09 -0.03 0.21 0.04 0.16 -0.04 0.04 0.15 -0.04 -0.04 -0.09 0.09 0.02 0.13 -0.05 -0.01 0.01 0.01 -0.04 0.07 0.05 0.00 0.20 0.10 0.02 0.04 0.01 0.02 0.00 -0.02 -0.17 0.03 0.09 -0.02 -0.12 0.01 -0.15 0.04 0.13 0.13 0.01 -0.07 0.11 0.03 0.06 -0.07 0.06 0.04 -0.05 -0.01 0.06 0.23 0.06 -0.12 -0.12 0.08 0.07 0.06 -0.14 -0.02 0.02 -0.08 0.00 -0.14 0.05 0.13 -0.12 0.01 0.15 0.22 -0.02 0.03 0.20 -0.02 0.01 0.22 -0.00 0.04 -0.14 -0.07 0.05 -0.06 -0.04 0.05 -0.03 -0.04 0.03 -0.07 -0.05 0.03 -0.11 -0.08 0.02 -0.05 -0.05 0.03 0.08 -0.01 -0.07 0.06 -0.00 -0.06 0.09 -0.05 -0.07 0.01 0.04 -0.01 0.01 0.03 0.01 0.01 0.04 -0.02 0.10 0.03 -0.10 0.04 0.03 -0.01 0.16 0.00 -0.08 0.09 0.06 -0.05 0.11 0.04 -0.03 0.08 0.05 -0.05 -0.11 -0.13 0.05 -0.07 -0.17 -0.03 -0.04 -0.08 0.02 -0.08 -0.10 -0.11 -0.15 -0.15 -0.06 -0.13 -0.06 -0.05 0.04 -0.05 -0.11 0.05 -0.04 -0.10 -0.13 0.07 0.04 0.05 -0.04 -0.11 -0.01 0.05 -0.01 0.01 -0.05 0.01 0.03 -0.00 0.03 0.02 -0.11 0.00 0.05 -0.05 0.03 -0.04 -0.05 -0.01 -0.02 -0.05 0.01 -0.12 0.05 -0.08 0.03 0.04 -0.03 0.01 0.06 0.01 0.07 0.05 0.05 0.05 0.04 0.01 0.06 0.05 -0.05 0.04 0.05 0.04 0.01 -0.06 0.00 0.01 -0.04 -0.00 -0.09 0.08 -0.07 -0.09 0.09 0.01 -0.04 -0.21 0.06 -0.04 -0.13 -0.02 -0.04 -0.17 0.08 -0.11 0.02 0.19 -0.05 0.02 0.20 -0.11 -0.02 0.14 0.08 0.02 -0.01 0.10 0.06 -0.00 0.06 0.00 -0.05 -0.01 -0.01 -0.21 0.04 0.05 -0.14 -0.01 0.05 -0.19 0.00 0.24 -0.00 -0.00 0.14 0.04 -0.07 0.26 0.04 -0.10 0.05 -0.14 -0.10 0.07 -0.14 -0.10 0.04 -0.13 -0.08 -0.13 0.10 -0.03 -0.19 0.12 -0.05 -0.09 0.10 0.10 0.11 -0.03 0.08 0.09 0.04 0.10 0.10 -0.03 0.09 0.06 0.12 0.12 0.11 0.09 0.07 0.01 0.08 -0.03 -0.02 -0.09 -0.05 -0.00 -0.09 -0.05 -0.03 -0.01 -0.01 -0.03 -0.05 0.02 0.02 0.06 0.02 0.05 0.01 0.02 0.03 0.00 0.03 0.18 0.01 -0.04 -0.00 -0.10 0.06 -0.00 0.10 0.02 -0.04 0.00 -0.03 0.06 -0.06 0.02 0.04 -0.01 0.04 0.02 0.01 0.18 0.04 -0.00 0.19 0.03 0.04 0.04 0.07 -0.02 0.13 0.05 0.01 0.03 -0.02 0.03 0.02 0.02 0.03 -0.06 0.08 -0.08 -0.06 0.08 -0.09 -0.16 -0.01 0.00 -0.19 -0.02 0.00 -0.14 0.06 -0.01 -0.06 -0.02 -0.04 -0.05 -0.01 -0.03 -0.11 -0.03 -0.03 0.21 0.08 0.10 0.11 0.02 0.07 0.20 0.07 0.10 -0.15 -0.05 0.03 -0.10 -0.06 0.03 -0.16 0.03 0.04 -0.03 -0.07 0.01 -0.03 -0.03 -0.04 -0.01 -0.07 0.01 -0.10 0.04 -0.12 -0.09 0.06 -0.13 -0.14 -0.01 -0.08 0.08 -0.17 0.01 0.04 -0.11 0.05 0.02 -0.22 -0.02 -0.13 -0.05 0.05 -0.11 -0.09 0.04 -0.08 -0.02 0.02 -0.04 -0.19 -0.06 -0.03 -0.26 -0.04 -0.00 -0.13 -0.01 0.14 0.05 0.08 0.05 0.04 0.03 0.09 -0.01 0.07 0.10 0.01 0.08 0.18 -0.01 -0.02 0.05 -0.02 -0.01 0.00 -0.10 -0.15 -0.04 0.09 0.05 0.03 -0.01 -0.03 0.18 -0.03 0.04 -0.05 0.07 -0.11 -0.01 -0.11 -0.10 0.00 -0.02 0.04 0.02 -0.03 -0.09 -0.10 -0.09 0.01 -0.10 -0.06 0.02 -0.11 -0.06 0.10 -0.08 -0.11 -0.06 -0.10 0.10 -0.07 -0.10 0.10 -0.07 -0.02 -0.12 -0.10 -0.02 -0.12 -0.06 0.25 -0.02 0.07 0.16 -0.03 0.02 0.23 0.02 0.15 -0.13 0.02 0.13 -0.15 0.01 0.14 -0.01 0.04 0.10 -0.12 0.02 -0.02 -0.12 -0.00 -0.03 -0.05 0.06 0.01 -0.04 -0.05 -0.12 -0.05 -0.00 -0.07 -0.04 -0.06 -0.11 -0.05 0.13 0.05 -0.05 0.12 0.05 -0.05 0.13 0.06 -0.05 0.02 -0.02 -0.03 -0.01 -0.08 -0.15 0.00 -0.01 0.07 0.08 -0.04 0.09 0.05 -0.04 0.10 0.05 0.00 -0.05 -0.05 -0.02 -0.03 -0.06 -0.03 -0.03 -0.04 0.01 -0.00 -0.09 0.04 -0.08 -0.13 0.09 0.05 -0.05 0.07 0.16 0.13 0.18 0.08 0.09 0.11 0.16 -0.06 0.05 0.07 0.08 0.09 -0.06 -0.03 -0.00 -0.00 -0.01 0.01 -0.02 -0.07 -0.01 -0.00 -0.00 0.00 -0.05 0.03 0.03 0.04 0.01 -0.02 -0.05 -0.03 -0.19 0.03 0.14 0.01 0.15 0.05 -0.01 0.14 0.07 -0.07 -0.12 0.13 0.25 -0.14 0.11 0.18 0.08 0.04 0.03 -0.07 0.12 0.23 -0.10 0.00 -0.15 -0.15 0.03 -0.11 0.00 0.10 0.01 0.01 0.06 -0.02 -0.05 -0.02 -0.03 0.03 -0.00 0.00 -0.01 0.00 -0.12 0.07 0.02 -0.03 0.03 0.01 -0.02 0.01 0.00 -0.03 -0.15 -0.00 -0.06 -0.16 -0.00 -0.06 -0.14 0.00 -0.06 0.15 0.08 0.08 0.07 0.04 0.03 0.17 0.02 0.12 -0.06 -0.05 -0.02 -0.07 -0.06 0.00 -0.08 -0.04 -0.05 -0.07 0.01 -0.00 -0.04 0.04 -0.02 -0.06 -0.00 0.00 0.11 -0.21 0.11 0.07 -0.16 0.06 0.13 -0.21 0.11 0.02 0.02 -0.08 0.05 -0.04 -0.13 0.07 0.06 -0.04 0.09 -0.09 -0.10 -0.04 -0.10 -0.05 0.11 -0.07 -0.09 0.01 0.01 0.03 -0.01 -0.00 0.01 0.04 -0.00 -0.01 -0.03 -0.01 -0.02 -0.08 0.01 0.18 -0.03 0.03 0.04 -0.06 0.03 -0.06 -0.07 0.04 0.06 0.02 0.01 0.04 -0.02 0.01 0.05 -0.02 0.01 -0.21 -0.04 -0.02 0.06 -0.13 -0.08 0.06 -0.14 -0.07 -0.04 0.10 -0.01 -0.12 0.10 0.00 -0.08 -0.22 -0.14 0.11 0.07 0.01 -0.06 -0.11 0.04 -0.18 -0.15 0.04 -0.13 -0.04 0.01 0.05 -0.04 0.02 0.05 -0.01 -0.12 -0.06 0.17 -0.05 -0.03 0.02 -0.19 -0.21 -0.07 -0.03 -0.00 -0.02 -0.03 0.02 -0.06 -0.06 -0.03 0.13 0.08 0.04 0.12 0.04 0.03 0.11 0.08 0.06 0.35 0.11 0.03 0.22 0.08 -0.01 0.38 0.01 0.10 0.03 0.02 -0.01 0.03 -0.01 0.04 0.01 0.04 -0.08 0.01 -0.02 0.03 -0.00 -0.01 0.05 0.01 -0.04 0.05 -0.07 -0.05 -0.03 -0.06 -0.06 0.00 -0.09 -0.04 -0.05 -0.00 -0.07 0.03 -0.02 -0.03 0.05 -0.05 -0.10 0.04 -0.04 -0.00 0.02 0.02 -0.03 0.01 -0.04 0.01 0.04 0.00 0.04 0.03 0.01 0.02 0.03 -0.02 0.01 0.05 -0.04 0.02 -0.02 0.06 -0.03 -0.10 -0.01 -0.04 0.03 -0.01 -0.04 0.05 0.01 -0.08 0.01 -0.05 -0.00 0.06 -0.01 -0.02 -0.01 -0.10 -0.03 -0.13 0.04 -0.06 -0.04 0.36 0.20 -0.05 0.36 0.20 -0.04 0.06 -0.06 -0.13 0.07 -0.03 -0.09 0.33 0.25 -0.03 0.06 -0.07 -0.13 -0.11 0.00 -0.09 -0.16 0.06 -0.06 0.05 -0.04 -0.04 0.04 -0.03 -0.03 0.00 -0.02 0.01 0.03 -0.01 0.01 -0.01 -0.07 0.01 0.04 0.04 0.03 -0.05 0.01 0.04 0.03 0.03 0.02 0.09 0.03 0.05 0.08 0.02 0.05 0.07 0.03 0.05 0.03 -0.01 -0.00 -0.05 -0.03 -0.02 0.05 -0.07 0.04 -0.18 -0.06 -0.02 -0.18 -0.08 0.02 -0.19 -0.05 -0.01 -0.01 -0.01 0.03 0.01 -0.02 0.01 -0.02 0.01 0.02 -0.09 0.10 -0.04 -0.08 0.08 -0.01 -0.11 0.08 -0.04 -0.07 0.01 0.05 -0.05 -0.08 0.08 0.05 0.10 -0.01 -0.08 -0.01 0.07 -0.02 0.00 0.05 -0.09 -0.02 0.07 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.02 -0.03 -0.01 -0.01 0.03 -0.00 -0.08 0.03 -0.02 -0.01 0.04 -0.17 0.12 0.16 -0.02 -0.09 -0.10 0.03 -0.00 0.04 0.00 -0.05 0.01 -0.05 -0.23 -0.08 0.02 0.12 0.03 0.01 0.01 0.05 -0.00 -0.06 0.02 0.10 -0.01 0.03 0.08 -0.01 -0.04 -0.01 0.05 -0.01 0.13 0.04 -0.12 -0.03 -0.21 -0.24 -0.02 -0.09 -0.08 0.04 0.11 -0.07 0.02 0.09 -0.05 0.06 -0.01 -0.10 0.03 -0.01 -0.03 0.11 -0.01 -0.20 -0.17 -0.04 -0.01 -0.09 -0.07 -0.15 -0.13 -0.02 0.03 0.09 0.00 0.03 0.06 -0.00 0.02 0.09 0.02 -0.13 -0.06 -0.03 0.03 -0.02 0.02 -0.17 0.06 -0.13 0.22 0.07 0.04 0.23 0.17 -0.01 0.30 0.05 0.03 0.09 -0.06 0.13 0.06 -0.05 0.19 0.11 -0.10 0.16 0.01 0.05 0.00 0.01 0.06 0.01 0.00 0.05 -0.00 0.01 0.01 -0.01 0.01 0.02 -0.01 0.01 0.00 -0.00 -0.02 0.03 -0.02 -0.03 0.05 -0.02 -0.00 0.02 -0.04 0.00 0.03 0.04 0.04 0.01 0.05 -0.01 -0.00 0.00 -0.04 0.01 -0.03 0.02 0.08 -0.02 -0.01 0.06 0.04 -0.02 0.01 0.06 0.01 0.11 0.03 -0.06 0.06 0.03 0.02 0.04 0.06 0.07 -0.14 -0.10 0.06 -0.08 -0.06 0.01 -0.03 -0.01 -0.00 -0.01 0.01 -0.10 -0.12 -0.02 -0.14 0.02 0.03 0.02 -0.02 -0.01 -0.01 -0.15 -0.07 0.08 -0.14 -0.09 0.02 -0.09 -0.05 0.05 -0.10 -0.06 0.04 -0.08 -0.07 0.07 0.03 0.01 0.02 0.02 -0.00 0.05 0.04 0.06 0.13 0.00 -0.03 0.11 0.00 -0.04 0.11 0.01 -0.02 0.00 0.26 0.02 -0.02 0.21 0.01 0.01 0.27 0.02 -0.02 0.01 -0.00 0.02 0.02 0.01 -0.02 0.05 -0.01 0.11 0.06 0.05 0.12 0.11 0.03 0.15 0.04 0.13 -0.15 -0.01 0.03 -0.11 -0.03 -0.04 -0.16 0.06 -0.03 0.06 -0.06 -0.04 0.03 -0.02 -0.06 0.09 -0.11 0.02 -0.04 -0.01 -0.10 -0.06 -0.09 0.01 -0.01 0.01 -0.04 0.04 -0.11 0.18 0.02 -0.16 0.21 0.06 -0.09 0.22 -0.19 -0.07 -0.17 -0.13 -0.02 -0.11 0.03 0.02 0.07 -0.09 -0.01 -0.05 -0.08 -0.10 -0.05 0.04 -0.02 -0.02 0.07 0.08 -0.03 0.04 -0.09 -0.02 0.12 -0.05 -0.02 -0.03 -0.01 -0.03 0.10 -0.23 -0.13 -0.01 -0.02 0.03 -0.05 -0.05 -0.00 -0.05 -0.04 0.03 -0.05 0.03 0.01 -0.08 0.11 0.02 0.01 -0.05 -0.04 0.00 0.02 0.00 0.17 -0.20 -0.09 0.10 -0.07 -0.05 -0.00 -0.01 0.03 -0.01 0.02 0.03 0.02 0.01 0.02 0.01 -0.01 0.03 0.02 0.02 0.02 -0.10 0.07 0.04 -0.17 0.05 0.06 -0.05 0.08 0.03 0.01 0.28 -0.01 0.01 0.20 -0.02 0.04 0.31 0.05 -0.03 -0.02 0.03 -0.07 -0.04 0.01 -0.03 -0.05 0.03 -0.19 -0.09 -0.08 -0.19 -0.14 -0.03 -0.22 -0.07 -0.21 -0.08 -0.07 0.18 -0.03 -0.05 0.12 -0.12 -0.08 0.18 -0.03 0.00 0.04 -0.02 -0.02 0.02 -0.04 0.05 0.00 0.06 0.00 -0.06 0.05 0.04 -0.06 0.01 -0.03 -0.01 -0.02 0.08 -0.09 -0.03 0.11 -0.10 -0.04 0.06 -0.12 0.09 0.06 0.09 0.08 0.03 0.06 -0.03 0.02 -0.05 0.06 0.05 0.08 -0.06 0.01 -0.01 -0.09 -0.04 0.03 -0.06 0.03 0.14 -0.02 -0.04 -0.01 -0.09 -0.11 -0.05 -0.17 -0.07 0.07 0.07 -0.06 -0.10 0.00 -0.06 -0.04 0.01 0.00 0.00 -0.01 0.03 0.06 0.00 -0.14 0.02 -0.01 -0.10 0.01 0.09 -0.02 -0.04 0.01 -0.17 -0.02 -0.00 -0.04 -0.08 -0.11 -0.00 0.01 0.02 -0.05 -0.02 -0.00 -0.04 -0.01 0.00 0.01 -0.00 -0.00 0.03 -0.02 -0.02 -0.02 0.04 0.22 -0.01 -0.05 0.26 -0.00 -0.06 0.15 -0.03 -0.03 -0.01 0.02 -0.01 -0.01 0.01 -0.01 0.05 0.04 0.01 0.01 0.02 -0.02 0.06 0.05 0.01 -0.00 0.04 -0.07 0.15 0.09 0.08 0.15 -0.01 0.01 0.03 0.11 0.28 -0.16 0.04 -0.07 -0.12 0.05 -0.15 -0.24 0.02 -0.05 -0.06 0.06 0.05 -0.04 0.03 0.02 -0.08 0.14 -0.02 0.06 0.01 0.01 0.08 0.05 -0.06 0.05 0.00 0.02 -0.03 0.10 -0.19 -0.03 0.11 -0.20 -0.12 0.09 -0.20 0.18 0.11 0.13 0.07 0.07 0.04 -0.10 0.00 -0.04 0.08 0.04 0.06 -0.00 -0.08 0.06 0.08 0.04 0.06 0.15 0.13 0.16 0.23 -0.02 -0.02 0.11 0.02 0.02 -0.04 0.03 0.04 -0.03 0.04 -0.26 -0.00 -0.02 -0.01 -0.17 -0.05 0.05 -0.18 -0.04 0.01 0.02 -0.06 0.00 0.02 -0.07 -0.02 -0.17 -0.09 0.04 0.01 -0.06 -0.00 -0.24 0.08 -0.23 -0.35 0.04 -0.11 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.06 -0.08 -0.00 0.04 -0.05 0.01 0.15 0.10 0.14 0.03 -0.05 0.09 0.04 0.08 0.14 0.03 -0.03 -0.09 -0.04 -0.00 -0.09 -0.04 -0.03 -0.09 -0.03 -0.09 -0.06 0.01 -0.04 -0.07 -0.00 -0.11 0.01 -0.00 -0.11 -0.09 -0.06 -0.12 -0.10 -0.01 -0.12 -0.08 -0.15 -0.03 0.05 -0.11 -0.04 0.04 -0.10 -0.02 0.05 -0.11 0.02 0.01 -0.01 0.01 0.02 -0.01 0.03 -0.01 0.01 0.06 -0.11 0.04 0.04 -0.05 0.02 0.00 -0.15 0.06 0.03 -0.02 0.05 0.04 -0.04 0.06 0.02 -0.01 0.07 -0.06 0.01 -0.03 -0.06 0.01 -0.03 -0.05 0.08 0.05 -0.11 -0.01 -0.10 0.02 -0.03 0.02 -0.02 -0.00 0.00 -0.03 -0.05 0.02 -0.02 0.01 0.00 -0.05 -0.01 -0.00 -0.01 -0.01 0.01 0.02 0.01 0.02 -0.01 0.00 0.01 0.03 0.00 -0.00 0.03 0.00 -0.00 -0.01 -0.00 -0.03 -0.01 -0.00 -0.02 0.02 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.01 0.02 -0.01 0.01 0.01 -0.02 0.05 -0.01 0.13 -0.08 0.05 0.09 -0.12 0.04 0.11 -0.09 0.12 -0.04 0.20 -0.05 -0.13 0.16 -0.01 0.05 0.22 -0.08 0.01 -0.01 0.01 0.02 -0.00 0.01 0.00 -0.02 0.00 -0.05 -0.04 0.15 0.11 -0.04 0.17 -0.09 0.05 0.03 0.14 0.00 -0.15 0.14 0.03 -0.14 0.18 0.06 -0.72 -0.00 0.01 -0.02 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.07 -0.07 0.02 -0.03 -0.13 0.04 -0.06 -0.02 -0.00 -0.01 0.02 0.00 -0.01 0.02 0.01 -0.00 0.02 -0.01 -0.02 0.02 -0.01 0.02 0.03 -0.03 -0.02 0.02 -0.02 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 0.01 -0.03 -0.03 -0.03 0.05 -0.01 0.06 0.04 -0.06 -0.00 0.02 0.10 0.08 0.06 -0.07 -0.01 0.09 -0.05 0.10 0.02 0.03 -0.03 0.01 0.00 0.02 0.04 -0.09 -0.00 0.02 -0.07 -0.07 -0.13 -0.03 0.03 -0.16 0.01 0.14 -0.11 -0.06 0.09 -0.11 -0.07 -0.01 -0.07 0.06 0.00 -0.04 0.02 -0.02 -0.04 0.03 -0.01 -0.04 0.02 -0.03 0.01 -0.00 0.04 -0.01 0.02 0.01 -0.02 -0.03 0.09 -0.01 0.02 -0.02 -0.01 0.02 -0.01 0.00 0.03 -0.02 0.10 0.01 0.24 0.10 0.09 0.27 0.04 -0.03 0.14 -0.00 0.01 -0.04 -0.04 0.00 -0.05 0.01 0.01 0.01 -0.03 -0.03 0.02 -0.04 -0.06 0.02 -0.06 -0.04 0.14 0.08 0.02 -0.06 0.04 0.01 0.01 0.14 0.02 -0.06 -0.08 0.06 0.02 -0.07 0.05 0.03 -0.11 0.09 -0.03 0.15 0.15 -0.21 0.12 0.19 -0.15 0.07 0.10 -0.14 -0.14 -0.02 -0.21 -0.27 -0.11 -0.12 -0.07 0.05 -0.17 -0.11 -0.11 -0.05 -0.07 -0.08 0.00 0.07 -0.09 0.15 -0.06 -0.08 -0.01 -0.08 0.00 0.00 -0.01 -0.00 0.03 -0.01 -0.00 0.02 -0.02 0.05 0.05 -0.01 -0.03 -0.00 0.01 -0.02 0.06 0.00 0.00 0.00 0.05 -0.01 -0.08 0.00 0.01 0.00 -0.01 0.01 0.02 0.02 -0.01 0.06 0.03 0.01 0.03 0.04 -0.01 -0.02 0.04 -0.03 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.08 -0.02 -0.06 0.08 -0.03 0.01 -0.11 0.03 -0.16 -0.02 -0.05 -0.03 -0.05 -0.01 -0.33 -0.00 -0.06 0.23 -0.05 -0.07 0.23 -0.08 -0.11 0.22 -0.02 0.02 -0.02 -0.04 0.01 -0.03 -0.02 0.02 -0.02 0.02 -0.10 0.07 0.10 -0.05 0.13 -0.00 -0.06 0.01 0.04 0.04 -0.12 0.04 0.00 -0.10 0.01 0.12 -0.65 -0.02 -0.00 0.00 0.01 -0.00 -0.04 -0.03 0.03 -0.02 0.04 0.13 -0.01 0.03 0.15 -0.06 0.05 0.12 0.00 0.01 0.00 0.01 0.03 0.00 -0.04 0.01 0.00 0.02 0.02 -0.01 -0.07 -0.05 -0.04 -0.03 -0.00 0.01 -0.04 -0.04 -0.02 -0.04 -0.02 -0.00 -0.02 0.03 -0.02 0.04 -0.01 0.00 -0.02 0.04 0.03 0.09 -0.04 0.02 -0.07 -0.02 0.08 0.00 0.02 -0.12 -0.11 -0.02 0.08 0.01 -0.10 0.06 -0.11 0.03 0.03 -0.00 -0.06 0.02 0.02 0.03 -0.12 -0.00 -0.00 -0.09 -0.05 -0.13 -0.02 -0.02 -0.15 -0.03 0.12 -0.16 -0.04 0.12 -0.12 -0.03 -0.00 -0.02 0.04 0.00 -0.02 0.01 0.02 -0.03 0.02 0.04 -0.03 -0.02 0.08 -0.01 0.05 -0.10 0.01 -0.02 -0.02 0.03 0.06 -0.19 0.07 -0.05 0.10 0.04 -0.05 0.09 0.01 -0.07 0.11 0.10 -0.07 0.24 0.07 0.00 0.27 0.07 -0.11 0.16 -0.01 -0.04 0.07 0.05 -0.02 0.09 -0.03 -0.03 -0.02 0.00 0.05 -0.05 -0.00 0.03 -0.03 -0.02 0.08 -0.26 -0.00 0.02 -0.02 0.00 0.04 -0.02 0.00 0.00 -0.01 0.10 -0.06 -0.08 0.05 -0.00 -0.11 0.12 -0.12 -0.03 -0.05 0.07 -0.23 -0.12 -0.01 0.01 -0.06 0.07 -0.19 -0.02 -0.01 0.19 -0.02 0.05 0.16 -0.01 -0.05 0.15 0.15 0.03 0.12 0.07 -0.02 0.05 -0.10 0.09 -0.14 0.06 -0.02 0.03 -0.05 -0.04 -0.10 0.01 -0.01 0.01 0.03 0.02 0.02 0.01 -0.00 0.01 0.02 -0.02 -0.01 0.02 -0.01 0.01 0.02 -0.01 -0.02 0.05 0.02 -0.06 -0.05 0.09 0.00 -0.03 0.07 0.06 -0.04 0.05 -0.08 -0.05 0.05 -0.07 0.07 0.08 -0.06 0.00 0.06 -0.04 -0.03 0.02 0.01 -0.02 0.01 0.00 0.05 0.00 -0.05 0.07 -0.04 -0.03 0.17 0.08 -0.14 0.15 -0.04 -0.04 0.27 0.24 -0.29 0.02 -0.16 -0.02 0.12 -0.10 -0.08 0.00 -0.14 0.02 0.03 -0.00 -0.02 0.07 -0.02 -0.02 -0.02 -0.01 0.00 -0.08 0.01 0.16 -0.04 0.00 0.16 -0.10 0.02 0.10 -0.09 0.17 -0.01 -0.10 -0.04 0.01 -0.32 0.23 0.16 0.03 -0.00 -0.01 0.04 -0.00 -0.02 0.04 0.03 -0.03 -0.08 -0.17 0.07 -0.05 -0.23 0.05 -0.07 -0.09 0.03 0.11 -0.06 0.04 0.10 0.02 0.01 0.06 -0.10 0.04 -0.09 0.01 -0.00 -0.18 -0.01 0.04 -0.05 0.02 -0.01 -0.01 -0.04 0.00 -0.01 -0.03 0.01 0.02 -0.01 0.01 -0.01 -0.04 0.01 -0.09 -0.02 -0.11 -0.05 0.01 -0.02 -0.04 0.07 0.03 -0.03 -0.03 -0.03 -0.05 0.02 -0.01 -0.06 0.01 -0.01 0.00 0.04 0.05 0.06 0.03 -0.18 -0.07 0.10 0.01 -0.08 0.11 0.16 -0.03 0.03 0.02 -0.03 0.04 0.02 0.24 0.01 -0.17 0.00 0.01 -0.05 -0.02 0.01 0.01 -0.03 -0.02 0.03 0.08 0.00 -0.16 0.08 0.01 -0.13 -0.03 -0.03 0.05 -0.02 0.02 0.01 -0.06 -0.06 0.10 -0.06 0.04 -0.01 -0.09 0.01 0.02 -0.03 0.03 -0.03 -0.01 -0.02 0.01 0.05 0.00 0.03 -0.02 -0.02 0.01 0.03 0.01 -0.06 0.05 0.03 -0.05 0.03 0.02 -0.08 0.05 -0.06 0.03 0.06 0.04 0.01 0.16 -0.07 -0.15 0.04 -0.04 0.10 0.09 -0.05 0.02 0.02 0.04 0.04 0.05 0.01 -0.03 0.02 0.05 0.00 0.06 -0.09 0.03 0.21 -0.01 0.00 0.22 0.04 -0.04 0.16 -0.06 0.07 -0.12 -0.13 0.04 -0.50 -0.24 0.22 -0.04 -0.07 0.10 0.06 0.00 -0.00 0.09 -0.01 -0.00 -0.02 0.03 -0.07 0.04 -0.00 -0.04 -0.01 0.05 0.01 0.03 0.00 -0.04 0.00 -0.09 -0.08 0.00 -0.01 -0.03 -0.01 0.05 0.02 0.06 0.02 -0.06 -0.05 -0.08 -0.04 -0.11 -0.06 0.29 -0.02 0.10 -0.01 -0.00 0.08 -0.05 0.01 -0.04 -0.05 0.02 -0.06 -0.06 0.00 0.04 -0.03 -0.03 0.00 0.06 0.06 -0.05 0.01 0.09 0.05 -0.04 -0.11 -0.04 0.28 -0.12 -0.03 0.24 -0.02 0.05 -0.04 -0.01 0.03 -0.01 -0.03 0.01 -0.04 0.08 0.03 0.07 0.03 0.01 0.08 0.06 0.01 0.07 -0.01 0.02 -0.04 0.04 0.02 -0.03 0.01 0.03 -0.01 0.01 -0.01 -0.02 0.00 -0.01 -0.02 0.01 -0.03 -0.02 0.01 -0.04 -0.03 0.01 0.02 -0.02 0.08 -0.06 -0.10 -0.08 0.07 -0.15 -0.16 0.07 -0.04 -0.07 -0.07 -0.05 0.05 0.00 -0.01 0.01 0.06 -0.02 0.04 -0.06 0.01 0.18 0.01 0.07 0.19 0.10 -0.02 0.12 -0.04 0.07 -0.15 -0.06 0.02 -0.51 -0.16 0.17 -0.04 -0.01 0.04 -0.05 0.04 0.04 -0.11 0.04 0.01 0.00 -0.01 0.01 -0.03 0.04 0.08 -0.01 -0.06 -0.05 0.01 0.01 -0.01 0.01 0.02 -0.03 0.01 -0.01 -0.02 0.01 0.04 0.01 0.01 0.02 -0.02 -0.13 0.04 0.05 -0.03 0.00 0.04 -0.00 -0.02 0.00 -0.03 0.01 -0.02 0.05 -0.03 0.07 0.06 -0.05 0.05 -0.00 -0.07 -0.01 -0.00 -0.04 0.03 0.02 -0.01 -0.01 0.04 0.02 -0.03 -0.07 0.01 0.02 -0.08 0.01 -0.04 -0.07 -0.16 0.07 -0.01 -0.13 0.07 -0.14 -0.34 0.13 0.04 -0.04 -0.17 0.12 0.01 -0.21 0.02 -0.01 -0.14 -0.02 -0.01 0.00 -0.02 0.02 0.00 0.02 0.00 -0.01 0.01 -0.12 0.16 0.04 -0.11 0.18 -0.00 -0.12 0.11 -0.08 0.22 -0.06 -0.10 -0.03 0.00 -0.35 0.28 0.19 -0.01 -0.02 0.05 -0.01 -0.02 0.07 -0.01 -0.04 0.07 0.04 0.15 -0.05 0.04 0.17 -0.03 0.04 0.08 0.00 0.05 0.04 -0.00 0.06 0.02 -0.02 0.05 0.04 0.02 0.00 -0.10 -0.00 -0.10 -0.16 0.06 0.03 -0.06 0.04 0.01 0.04 -0.04 0.03 0.03 -0.03 0.01 0.02 -0.01 0.02 0.05 -0.04 0.08 0.04 0.12 0.01 0.01 0.00 0.02 0.02 0.00 0.02 0.01 -0.00 0.02 0.01 0.00 0.00 0.01 0.01 -0.02 0.20 0.18 0.02 -0.00 0.06 0.07 -0.21 0.03 -0.01 -0.14 0.11 0.05 0.01 -0.04 0.07 -0.02 -0.08 0.24 -0.34 -0.08 0.04 0.04 0.01 -0.06 0.06 -0.00 -0.04 -0.13 0.03 0.01 -0.01 0.06 0.02 -0.01 0.05 0.04 0.05 -0.03 0.03 0.02 -0.02 0.07 0.09 -0.06 -0.01 -0.01 0.03 -0.01 -0.01 0.03 0.01 -0.01 0.03 -0.04 -0.04 -0.06 -0.03 0.07 -0.05 0.01 -0.04 -0.14 -0.01 0.02 -0.01 -0.01 0.01 -0.02 -0.02 0.03 -0.01 -0.01 -0.03 0.01 -0.01 -0.00 0.01 0.01 -0.04 0.02 -0.15 -0.05 0.10 -0.07 -0.00 0.00 -0.13 0.06 0.02 -0.04 -0.04 0.03 -0.04 -0.05 0.04 -0.05 -0.05 0.02 -0.02 0.23 0.10 0.01 0.19 0.04 0.01 0.27 0.09 -0.09 -0.07 -0.00 -0.18 -0.13 0.06 -0.03 -0.03 0.02 0.15 0.02 -0.19 0.16 0.02 -0.20 0.04 0.04 -0.04 0.10 -0.02 -0.24 0.02 -0.01 -0.03 -0.01 0.00 -0.01 -0.00 0.02 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.01 0.43 -0.19 -0.21 0.01 -0.00 -0.05 0.02 -0.10 0.03 -0.01 -0.07 0.32 0.04 0.02 -0.01 0.04 0.02 -0.03 0.52 -0.22 -0.26 0.04 0.02 -0.01 0.01 -0.04 -0.03 -0.08 -0.11 0.08 0.03 -0.02 -0.04 0.03 -0.01 -0.02 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.02 0.01 -0.04 -0.03 0.02 -0.04 -0.04 0.01 -0.03 0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.02 0.02 0.00 0.09 0.04 -0.08 0.04 0.00 -0.02 0.04 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.02 0.01 -0.04 0.11 0.02 -0.01 0.05 0.00 0.00 0.13 0.06 -0.02 -0.04 0.01 -0.06 -0.06 0.04 0.00 -0.02 0.02 -0.11 0.01 0.14 -0.13 0.02 0.15 -0.03 -0.01 0.02 -0.10 0.01 0.17 0.02 0.02 0.00 0.01 -0.00 -0.01 0.00 -0.03 -0.02 -0.01 0.00 0.00 0.01 0.00 -0.00 0.03 -0.00 -0.01 0.40 -0.01 -0.03 -0.02 -0.00 0.06 -0.05 0.06 0.04 0.01 0.01 0.42 -0.03 -0.02 0.01 -0.04 -0.01 0.03 0.61 -0.00 -0.34 -0.03 -0.03 0.02 -0.06 0.05 0.03 -0.08 -0.19 0.11 -0.04 0.01 0.05 -0.04 0.01 0.03 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.01 0.01 0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.03 0.03 0.02 -0.00 0.03 0.01 0.04 0.03 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.03 -0.03 -0.01 0.01 -0.03 0.01 0.02 -0.00 0.00 -0.00 -0.00 0.02 -0.00 0.00 0.02 -0.02 0.00 0.03 -0.01 -0.02 -0.06 -0.05 -0.02 -0.08 -0.02 -0.02 -0.07 0.05 0.03 0.03 -0.01 0.10 0.05 -0.04 0.01 0.01 -0.02 0.07 -0.05 -0.06 0.04 -0.01 -0.06 0.03 -0.01 -0.01 0.02 -0.11 -0.05 -0.02 -0.02 0.00 0.01 -0.02 0.03 0.01 -0.02 0.03 -0.01 0.03 0.05 0.03 -0.07 -0.02 0.00 -0.02 0.03 0.13 -0.01 -0.03 0.03 -0.01 -0.02 0.03 -0.02 -0.00 0.06 -0.05 -0.01 -0.02 0.04 -0.04 -0.02 0.03 -0.01 -0.04 0.05 0.04 -0.00 0.05 -0.02 -0.02 0.02 0.01 -0.03 -0.05 0.03 0.03 -0.03 -0.01 0.03 -0.02 -0.02 -0.07 -0.03 0.05 -0.07 -0.02 0.04 -0.08 -0.05 0.08 -0.02 0.02 -0.03 0.01 0.04 -0.05 -0.02 0.04 -0.01 -0.02 0.02 -0.03 -0.03 -0.00 -0.04 -0.02 0.02 -0.02 0.03 -0.05 0.01 0.01 -0.06 0.01 0.04 -0.06 0.03 -0.00 0.03 -0.04 -0.01 -0.07 -0.02 -0.11 0.04 0.17 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.01 0.06 -0.05 0.23 -0.08 -0.08 0.17 -0.00 -0.09 0.25 -0.14 -0.05 -0.04 0.00 0.03 -0.04 0.10 -0.05 -0.08 -0.02 -0.01 -0.13 0.23 0.04 -0.59 0.32 0.14 -0.11 0.16 -0.06 0.00 -0.03 -0.02 0.00 -0.02 -0.02 0.01 -0.02 0.03 -0.01 -0.05 -0.01 0.02 -0.02 -0.12 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.03 -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 -0.01 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 0.03 0.02 -0.00 0.02 -0.00 0.02 -0.02 0.06 0.03 0.04 -0.08 -0.04 0.04 0.06 0.03 0.09 0.01 -0.06 0.06 0.08 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.02 -0.02 0.04 -0.09 -0.14 -0.10 0.04 -0.07 0.12 0.04 -0.01 -0.15 0.05 0.03 -0.05 0.10 -0.17 0.91 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.02 0.00 0.01 -0.01 -0.00 0.01 -0.02 0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.02 0.00 0.04 -0.03 -0.01 0.00 -0.02 0.01 -0.00 0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.00 -0.01 0.01 -0.00 0.62 -0.26 -0.29 -0.00 -0.00 0.00 0.02 -0.01 -0.03 0.02 -0.01 -0.26 -0.02 -0.01 0.01 -0.03 0.02 -0.01 -0.43 0.10 0.24 -0.00 -0.01 -0.00 -0.06 0.04 0.07 -0.03 -0.11 0.08 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.02 -0.01 0.02 0.02 -0.01 0.01 0.02 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.07 -0.05 0.01 0.04 -0.05 0.02 0.08 -0.03 0.02 -0.03 -0.01 0.01 -0.02 0.01 0.02 -0.04 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.03 0.02 0.01 -0.01 0.01 0.00 0.00 -0.03 -0.07 0.04 -0.01 0.01 0.02 -0.02 0.02 0.01 -0.02 0.01 0.02 0.02 0.01 0.05 0.02 0.04 0.02 0.01 0.01 -0.02 0.01 -0.04 -0.00 0.02 -0.06 0.00 0.01 -0.02 0.01 0.05 -0.09 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.03 -0.19 0.06 -0.03 -0.00 0.01 0.01 -0.00 -0.01 0.02 -0.01 0.01 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.21 -0.09 -0.09 -0.06 0.01 -0.02 0.01 -0.00 -0.01 0.02 -0.01 -0.06 0.02 -0.06 0.05 0.02 -0.06 0.04 -0.11 0.04 0.06 -0.02 -0.08 0.00 -0.01 -0.01 0.01 -0.03 -0.05 0.04 -0.07 0.05 -0.04 -0.07 0.05 -0.02 0.05 -0.18 -0.14 0.10 -0.20 -0.12 0.04 -0.26 -0.14 0.02 0.01 0.05 0.01 -0.05 0.13 0.03 -0.06 -0.04 -0.00 -0.00 -0.01 -0.02 -0.00 -0.02 0.03 0.01 -0.02 -0.13 0.21 0.07 -0.09 0.12 -0.04 -0.14 0.32 0.07 0.00 -0.07 0.02 0.01 0.02 0.01 0.10 -0.13 0.23 0.03 0.01 0.03 0.01 0.03 0.08 -0.15 -0.31 0.27 0.05 0.04 -0.05 0.07 0.01 -0.09 0.10 0.04 -0.01 -0.00 0.00 0.02 0.01 0.03 -0.03 -0.01 -0.00 -0.00 -0.01 0.03 0.01 -0.25 0.01 0.09 -0.01 0.02 0.01 -0.00 0.02 -0.03 0.03 0.09 0.03 -0.01 -0.00 0.01 -0.01 -0.01 0.02 0.04 -0.01 0.07 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.09 -0.01 -0.02 0.11 -0.03 0.04 -0.00 0.01 -0.00 0.00 0.00 -0.03 0.03 0.10 0.01 0.05 0.10 0.00 -0.06 0.03 0.03 0.07 0.14 0.05 -0.02 0.01 0.01 -0.02 -0.03 0.02 0.15 -0.12 0.10 0.15 -0.09 0.09 0.00 -0.09 -0.04 0.02 -0.09 -0.05 -0.05 -0.20 0.03 -0.08 -0.01 -0.03 -0.03 -0.01 -0.01 0.04 0.01 -0.06 -0.03 0.02 0.04 -0.01 0.02 0.04 -0.05 0.02 0.05 -0.05 0.08 0.03 -0.03 0.04 -0.01 -0.05 0.12 0.03 -0.00 -0.01 0.02 -0.00 0.01 0.02 0.02 -0.03 0.09 -0.08 -0.01 -0.06 -0.05 -0.07 -0.16 0.24 0.55 -0.50 0.00 0.05 -0.01 0.01 0.05 -0.02 0.00 0.05 -0.01 0.01 -0.01 -0.04 0.00 -0.01 -0.01 0.01 -0.01 -0.03 0.02 -0.02 -0.00 0.05 -0.02 -0.01 0.01 -0.02 0.00 0.02 -0.03 0.03 -0.08 -0.12 -0.07 0.02 0.01 -0.04 0.01 -0.03 -0.00 0.01 0.06 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.25 0.10 0.09 -0.10 0.01 -0.02 0.01 -0.01 0.01 -0.02 0.01 -0.00 -0.02 -0.06 0.01 -0.04 -0.03 -0.01 0.04 -0.07 -0.02 -0.03 -0.08 -0.02 -0.00 0.03 0.00 0.04 0.08 -0.06 -0.11 0.06 -0.04 -0.11 0.05 -0.03 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 -0.03 0.05 0.01 0.02 0.02 -0.01 0.04 -0.00 -0.02 0.01 0.02 0.07 -0.07 0.01 0.03 -0.08 0.01 0.08 -0.03 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.04 -0.05 0.02 0.04 -0.08 -0.00 0.47 0.55 -0.45 0.01 0.00 0.01 0.01 0.00 -0.01 0.02 0.01 0.02 -0.01 0.02 0.04 0.00 0.01 -0.01 0.00 0.03 0.03 0.00 -0.00 -0.00 -0.10 -0.02 0.04 0.00 0.00 0.01 0.02 -0.07 0.06 -0.04 -0.19 -0.03 -0.02 -0.01 0.02 0.01 -0.05 -0.01 -0.02 -0.03 0.01 0.01 -0.00 0.00 0.00 -0.02 -0.00 -0.01 0.03 0.02 0.02 -0.01 -0.00 0.01 0.00 -0.00 0.57 -0.12 -0.07 -0.04 0.02 -0.01 0.00 0.02 -0.02 0.06 -0.04 -0.03 0.04 -0.02 0.00 0.06 -0.05 0.00 -0.14 0.17 0.08 0.00 -0.01 0.00 0.01 -0.06 -0.01 -0.14 -0.27 0.19 -0.05 0.03 -0.02 -0.05 0.03 -0.03 0.01 0.02 0.00 0.00 0.02 0.01 0.04 0.08 -0.04 0.03 0.00 0.01 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.03 -0.08 0.04 -0.01 -0.05 0.05 -0.01 -0.08 0.03 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.02 0.01 -0.04 -0.02 -0.06 0.06 0.00 -0.10 0.02 0.26 0.38 -0.28 -0.01 -0.02 -0.02 -0.00 -0.03 0.01 -0.02 -0.03 -0.01 0.02 -0.01 -0.02 -0.00 0.03 0.02 -0.01 -0.03 -0.05 -0.02 0.00 0.01 0.07 0.02 -0.03 -0.01 -0.01 -0.01 -0.04 0.16 -0.03 -0.07 0.08 -0.08 0.00 0.04 -0.02 -0.01 0.19 -0.01 0.05 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.03 0.03 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 0.03 -0.02 0.01 0.01 -0.03 0.01 0.01 0.01 0.04 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.01 0.01 -0.01 -0.01 -0.03 -0.09 0.02 0.01 0.00 0.00 -0.01 -0.01 0.02 0.02 -0.01 -0.01 -0.00 0.01 -0.03 0.05 0.03 -0.02 -0.01 0.01 -0.03 -0.01 0.01 0.00 -0.02 0.00 -0.01 0.00 0.02 0.05 -0.00 0.00 0.00 -0.00 0.04 0.01 0.04 -0.01 -0.01 0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.02 0.02 0.07 -0.00 0.00 0.02 0.06 0.02 -0.02 -0.03 -0.07 0.05 0.01 0.00 -0.02 0.02 0.19 0.01 -0.01 -0.01 -0.14 -0.01 0.03 0.86 0.13 -0.34 -0.09 -0.06 -0.05 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.09 0.40 0.49 -0.02 -0.02 -0.01 0.00 -0.01 -0.02 0.08 -0.09 0.17 -0.05 0.04 -0.04 -0.07 0.03 -0.03 -0.12 0.38 0.09 -0.04 0.05 -0.03 0.01 -0.01 -0.05 -0.20 -0.39 0.25 -0.02 -0.04 -0.00 -0.02 -0.04 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.05 -0.09 0.04 0.02 0.01 0.00 -0.02 -0.01 0.01 0.03 0.00 -0.01 0.04 0.00 -0.02 0.05 -0.03 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 0.01 -0.01 0.02 -0.01 0.00 -0.00 -0.00 0.06 0.02 0.06 -0.02 0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.05 -0.07 0.06 0.02 0.02 0.06 0.00 0.04 0.04 0.01 0.03 0.05 -0.00 0.00 0.03 -0.01 0.06 0.00 -0.03 -0.01 -0.06 0.03 -0.03 -0.01 -0.06 -0.05 0.03 0.04 -0.01 0.00 -0.01 -0.01 0.03 0.04 -0.06 0.03 -0.02 -0.00 0.01 -0.01 0.03 -0.07 -0.07 0.03 -0.07 0.01 -0.01 0.01 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.03 0.02 -0.01 -0.15 -0.18 -0.03 -0.03 -0.02 -0.00 0.01 0.01 -0.04 0.04 -0.07 -0.01 0.07 -0.06 0.00 0.04 -0.04 0.04 -0.15 -0.03 -0.02 0.10 -0.04 -0.00 0.00 0.02 0.07 0.13 -0.09 -0.06 -0.07 -0.02 -0.06 -0.08 -0.06 -0.02 -0.02 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.04 0.06 0.01 -0.00 -0.10 -0.06 0.02 0.02 -0.01 -0.01 -0.01 -0.01 0.02 -0.00 -0.00 0.02 -0.01 -0.02 0.01 0.00 -0.00 0.02 -0.15 -0.05 -0.04 0.04 -0.10 0.13 -0.05 0.03 -0.01 -0.02 0.59 0.13 0.56 -0.18 -0.06 0.01 -0.01 0.02 0.01 -0.06 0.00 -0.02 0.02 0.00 0.02 0.01 0.06 0.02 0.01 0.05 0.01 0.03 0.03 -0.01 -0.00 -0.01 0.00 -0.03 -0.02 0.01 0.01 0.02 0.02 0.00 -0.02 -0.05 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.02 -0.02 0.01 0.04 -0.01 -0.01 -0.02 0.02 0.01 0.01 0.02 -0.02 0.06 -0.08 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.03 0.26 0.30 -0.04 -0.01 -0.01 -0.00 -0.00 -0.01 0.06 -0.05 0.11 0.18 -0.00 0.08 0.24 0.01 0.02 -0.06 0.24 0.05 0.13 0.01 0.06 -0.01 0.02 -0.02 -0.08 -0.20 0.10 -0.04 -0.02 -0.01 -0.05 0.01 -0.03 0.02 0.02 0.02 0.04 0.02 0.03 0.17 0.28 -0.21 0.03 0.00 -0.01 -0.03 -0.01 -0.02 -0.05 -0.01 0.02 -0.16 0.07 0.06 -0.12 0.07 0.06 -0.09 0.10 0.08 0.00 -0.01 -0.00 -0.08 -0.02 -0.02 0.02 -0.07 0.05 -0.02 0.01 0.00 -0.01 0.27 0.05 0.25 -0.08 -0.06 0.02 0.02 -0.01 0.01 0.02 0.00 -0.04 -0.08 0.07 -0.06 -0.03 -0.12 -0.00 -0.10 -0.04 -0.03 -0.06 -0.07 0.03 -0.00 -0.05 0.01 0.04 -0.03 -0.02 -0.04 -0.05 -0.04 0.03 0.02 -0.00 0.02 0.02 -0.02 0.03 0.02 0.02 -0.10 0.03 0.05 -0.12 0.04 -0.02 -0.03 0.03 -0.00 -0.09 -0.05 0.18 -0.01 0.15 0.01 -0.01 -0.00 0.01 0.01 -0.02 0.01 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.02 0.03 0.03 0.07 0.09 0.15 0.07 0.07 0.00 -0.01 -0.00 0.02 -0.03 0.04 -0.06 -0.11 0.09 -0.10 -0.07 0.08 -0.01 0.07 0.01 -0.03 -0.16 0.06 0.01 -0.01 -0.01 -0.05 -0.08 0.06 0.12 0.12 0.04 0.14 0.07 0.04 0.01 0.02 0.00 0.00 0.02 0.00 -0.05 -0.09 0.09 -0.07 -0.04 -0.03 -0.10 -0.06 -0.02 0.01 -0.02 -0.04 0.09 -0.01 -0.06 0.05 -0.03 -0.07 0.08 -0.02 -0.06 0.01 -0.01 0.01 -0.15 -0.04 -0.03 0.05 -0.11 0.12 -0.05 0.03 -0.00 -0.02 0.54 0.11 0.51 -0.16 -0.08 -0.03 0.01 -0.03 -0.03 0.09 0.01 0.09 0.03 -0.05 -0.03 -0.01 -0.08 -0.04 0.00 -0.10 0.00 -0.04 -0.04 -0.01 0.01 0.04 -0.01 0.04 0.02 -0.02 0.00 -0.00 -0.02 0.02 0.01 -0.04 0.03 0.01 -0.02 0.01 -0.01 -0.02 0.03 0.01 -0.04 0.00 -0.02 0.04 -0.00 -0.02 -0.01 0.05 0.01 -0.02 -0.09 0.10 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 0.05 0.01 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.02 -0.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 -0.03 -0.02 -0.02 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.03 0.01 0.02 0.03 0.03 -0.02 -0.04 -0.08 0.06 0.08 -0.04 0.08 0.39 0.60 -0.60 0.00 0.01 -0.02 0.00 0.04 -0.06 -0.19 -0.02 0.03 0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.02 -0.02 -0.01 -0.03 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.04 -0.01 0.00 -0.01 -0.01 0.02 0.01 0.02 0.00 -0.01 0.02 0.04 0.01 0.10 -0.06 0.06 0.04 0.08 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.04 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 0.02 0.00 -0.01 -0.00 0.01 0.01 -0.02 0.01 -0.03 -0.00 0.00 0.00 0.00 -0.02 0.02 -0.02 0.02 0.01 0.02 -0.02 -0.01 -0.01 0.01 -0.03 -0.05 -0.08 -0.11 -0.12 -0.08 -0.07 0.00 -0.02 -0.00 0.01 -0.02 0.13 -0.08 0.17 0.24 -0.10 0.13 0.19 0.02 0.14 0.01 -0.06 0.17 0.19 0.00 -0.00 0.00 0.04 0.10 -0.06 -0.10 -0.24 -0.02 -0.12 -0.19 -0.05 0.02 0.03 0.01 0.01 0.01 0.02 0.11 0.20 -0.11 0.07 0.03 0.02 -0.02 0.02 -0.01 -0.00 0.03 0.05 0.24 -0.03 -0.10 0.14 -0.06 -0.13 0.16 -0.06 -0.12 0.01 -0.01 -0.01 0.04 -0.00 -0.00 -0.00 0.02 -0.03 0.01 -0.00 -0.00 0.01 -0.10 -0.00 -0.09 0.03 0.03 0.02 -0.01 0.02 0.00 -0.20 -0.06 -0.18 0.06 -0.02 -0.13 -0.01 -0.23 -0.07 -0.09 -0.17 -0.03 -0.07 -0.10 -0.01 0.01 0.06 -0.01 0.05 0.03 -0.01 0.01 -0.02 -0.02 0.01 0.02 -0.07 0.03 0.03 -0.00 -0.00 -0.00 -0.00 0.04 -0.01 0.00 0.09 0.01 -0.04 0.01 0.01 -0.01 0.02 0.02 -0.01 0.11 0.21 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.02 0.00 -0.02 0.00 -0.01 0.02 -0.00 0.01 -0.14 -0.19 -0.26 0.01 0.00 0.01 -0.00 -0.05 -0.02 0.07 -0.12 0.51 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.67 0.07 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.13 0.24 -0.18 0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.01 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.02 0.02 -0.02 0.01 0.00 0.01 0.00 0.01 0.01 0.00 0.00 0.01 0.01 0.00 0.01 -0.02 0.10 0.01 -0.06 -0.04 -0.10 0.01 -0.01 -0.00 -0.01 -0.03 0.01 0.03 0.01 0.01 0.00 0.01 -0.01 -0.02 0.04 -0.01 0.02 -0.01 0.01 0.00 -0.01 0.04 -0.00 -0.00 -0.01 -0.02 -0.04 0.01 -0.12 -0.11 -0.26 0.27 0.13 -0.17 0.06 0.10 0.28 -0.29 -0.16 0.21 0.09 0.01 0.04 -0.02 -0.06 -0.08 0.00 0.01 -0.01 0.11 -0.08 0.10 -0.00 0.03 0.00 -0.00 0.04 0.01 0.05 0.19 -0.01 0.03 0.02 -0.03 0.02 -0.00 0.03 0.16 -0.16 -0.07 0.04 -0.02 -0.05 0.04 -0.00 0.02 0.00 -0.01 -0.00 -0.06 -0.04 -0.01 0.03 0.09 -0.00 0.01 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 -0.02 -0.01 -0.01 -0.03 -0.00 0.01 0.22 -0.01 0.00 -0.09 0.23 -0.13 -0.01 -0.01 -0.01 -0.02 -0.08 0.27 -0.05 -0.00 0.04 0.01 -0.00 0.01 0.05 -0.04 -0.08 -0.08 0.04 -0.02 0.01 -0.00 -0.00 0.03 -0.04 -0.01 0.02 0.03 -0.02 0.01 0.00 0.00 -0.00 0.02 0.01 -0.01 -0.01 -0.03 -0.00 0.03 -0.02 -0.04 0.06 -0.03 -0.13 0.00 -0.01 0.01 0.01 0.01 0.05 0.01 0.04 -0.25 -0.07 0.13 -0.06 -0.03 -0.07 0.00 0.02 -0.00 -0.03 -0.01 -0.04 -0.03 -0.22 0.18 -0.09 0.24 -0.00 0.29 -0.08 -0.00 -0.22 0.11 -0.24 -0.14 -0.11 -0.16 -0.06 0.03 -0.04 -0.00 0.00 -0.00 0.03 -0.02 0.11 0.00 -0.03 -0.01 -0.00 -0.01 -0.02 0.02 0.15 0.00 0.02 -0.04 -0.02 -0.00 0.02 0.01 0.13 0.16 -0.15 0.05 0.04 0.01 0.05 0.05 0.08 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.03 0.05 -0.03 -0.01 -0.01 -0.02 -0.03 -0.02 -0.02 0.00 -0.01 -0.02 -0.02 0.01 0.00 0.01 0.03 0.01 -0.01 0.02 0.00 0.01 -0.01 -0.00 -0.06 -0.03 -0.03 0.04 -0.01 0.13 -0.05 0.01 -0.00 -0.04 0.18 0.20 0.16 -0.05 -0.08 -0.00 0.01 -0.01 0.02 0.05 -0.01 0.01 -0.03 0.01 -0.01 0.01 0.02 -0.01 0.01 0.01 0.02 -0.02 0.06 0.01 0.01 -0.00 0.01 -0.05 0.06 0.04 0.03 -0.01 0.04 -0.08 0.04 -0.13 0.12 -0.01 -0.02 -0.21 -0.08 0.05 -0.02 0.04 -0.01 -0.03 -0.00 -0.29 0.24 -0.20 -0.08 -0.11 -0.05 -0.02 -0.01 0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.02 -0.02 -0.39 -0.09 -0.19 -0.00 0.40 0.30 -0.00 -0.00 0.00 -0.01 -0.03 0.03 0.05 -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.03 -0.01 0.11 -0.06 -0.04 0.07 0.51 0.48 -0.00 0.00 -0.00 -0.00 0.00 0.06 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.02 0.03 -0.01 0.01 -0.00 0.01 0.00 0.08 -0.10 -0.02 0.05 0.09 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.08 -0.07 0.04 0.00 -0.00 -0.00 -0.02 0.02 0.01 0.00 0.02 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.03 -0.02 0.00 -0.05 -0.07 0.00 0.01 -0.00 0.02 -0.01 0.03 -0.00 -0.03 -0.02 0.01 0.00 0.00 -0.05 -0.01 -0.01 -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 -0.01 0.01 0.20 -0.01 0.01 -0.06 0.10 -0.20 -0.01 -0.00 -0.01 -0.01 0.01 0.16 0.03 -0.02 0.05 -0.04 -0.00 -0.01 -0.09 0.48 0.35 0.61 -0.25 0.14 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.05 -0.02 -0.01 -0.03 -0.03 0.01 0.01 0.00 -0.09 -0.07 -0.09 0.04 0.01 -0.04 0.01 0.02 -0.01 0.00 0.02 0.01 -0.02 -0.00 -0.01 -0.01 0.01 0.01 -0.02 0.00 -0.01 0.01 -0.02 -0.01 0.03 0.00 -0.01 -0.01 0.00 0.00 0.01 0.05 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.11 0.08 0.09 -0.00 0.02 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.02 -0.04 0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.08 -0.01 -0.03 -0.01 0.02 0.02 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.01 -0.02 0.02 0.52 -0.03 0.01 -0.15 0.30 -0.47 -0.03 -0.00 -0.02 -0.02 0.06 0.43 0.11 -0.07 0.09 0.01 -0.00 0.00 0.03 -0.18 -0.12 -0.22 0.09 -0.05 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.04 -0.05 0.01 0.01 0.04 0.04 -0.00 -0.01 -0.01 0.03 0.03 0.03 0.03 -0.04 0.01 0.06 0.03 0.06 0.00 -0.01 -0.00 0.02 -0.03 0.02 0.02 0.03 -0.02 0.01 0.02 0.03 -0.04 -0.01 0.01 0.01 -0.01 -0.03 0.04 0.04 0.05 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.36 0.33 0.19 0.00 -0.01 -0.00 0.00 -0.00 -0.02 -0.10 0.01 0.05 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.21 -0.21 -0.16 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.01 0.02 0.00 -0.02 -0.02 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.02 0.01 0.01 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.06 -0.01 -0.00 -0.02 0.04 -0.06 0.00 -0.00 -0.00 0.00 0.01 0.04 0.02 -0.01 0.01 0.01 0.00 0.00 0.00 -0.08 -0.04 -0.09 0.03 -0.02 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.04 -0.04 0.07 -0.00 -0.00 -0.00 0.04 -0.23 0.09 0.20 0.14 -0.03 0.01 -0.02 0.02 -0.16 0.42 -0.15 -0.07 -0.29 -0.28 -0.00 0.01 0.01 -0.02 0.01 0.00 -0.00 0.05 -0.03 -0.13 -0.08 -0.10 -0.02 0.01 0.02 0.02 0.00 0.01 0.04 0.01 -0.01 -0.00 -0.01 0.05 -0.04 0.00 -0.02 -0.03 0.01 -0.01 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.02 0.02 0.01 0.44 -0.40 -0.24 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.11 -0.01 -0.06 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.30 -0.21 -0.24 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.06 -0.04 0.08 0.01 -0.09 -0.08 0.00 -0.00 -0.00 -0.01 0.04 -0.07 -0.03 0.04 0.06 0.00 -0.00 0.00 0.02 0.07 0.02 -0.03 -0.03 -0.07 -0.00 -0.01 -0.00 0.12 -0.04 -0.03 -0.03 0.16 -0.02 -0.00 -0.00 0.00 -0.00 0.01 0.05 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.03 0.01 -0.00 -0.01 0.00 0.00 -0.02 0.02 -0.00 0.01 -0.04 0.05 0.01 0.01 -0.01 -0.08 0.21 0.06 -0.21 -0.15 0.05 0.01 -0.02 0.01 -0.07 0.16 -0.05 0.05 -0.12 -0.13 0.00 0.01 0.01 -0.03 0.01 -0.00 -0.03 0.08 -0.03 -0.18 -0.11 -0.14 -0.01 0.01 0.01 0.01 0.02 0.01 -0.00 -0.03 0.00 0.00 -0.02 0.01 0.01 -0.01 -0.03 -0.01 0.03 0.01 0.03 0.03 0.04 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.16 0.15 0.07 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.04 -0.01 0.02 0.00 0.00 0.01 -0.02 0.00 0.00 0.41 -0.34 -0.32 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.03 -0.01 0.03 0.03 -0.00 0.00 -0.00 -0.00 -0.02 0.02 0.01 -0.01 -0.02 0.01 -0.00 0.00 -0.03 -0.01 -0.00 -0.01 -0.01 -0.02 0.00 0.00 0.01 0.05 0.01 0.02 -0.02 -0.02 -0.11 -0.01 -0.00 -0.00 -0.00 0.01 0.02 0.01 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 0.00 0.01 -0.01 0.00 0.02 -0.02 0.00 -0.04 0.06 -0.08 -0.01 -0.01 0.00 0.05 -0.05 -0.10 0.07 0.05 0.00 -0.01 0.03 -0.02 0.16 -0.40 0.15 -0.02 0.28 0.30 -0.00 0.02 0.01 -0.02 0.02 -0.00 -0.04 0.04 0.04 -0.23 -0.13 -0.19 0.02 -0.02 -0.02 -0.01 -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 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.11 0.10 0.05 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.04 0.02 0.03 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.03 0.01 0.23 -0.14 0.31 0.01 -0.36 -0.28 0.01 -0.01 -0.00 -0.02 0.15 -0.26 -0.13 0.16 0.23 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.01 0.01 0.02 -0.01 -0.02 -0.03 0.02 -0.14 -0.17 0.03 0.39 0.38 0.00 -0.00 0.02 0.00 -0.01 0.02 -0.01 0.02 -0.08 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.05 0.06 -0.02 -0.03 -0.02 -0.02 -0.00 -0.00 0.00 0.02 -0.04 -0.04 0.04 0.03 -0.01 -0.00 0.01 -0.01 0.03 -0.11 0.05 0.01 0.08 0.08 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.02 0.01 0.02 0.02 0.02 0.00 -0.01 -0.00 0.12 0.07 -0.04 0.20 -0.15 -0.04 -0.10 -0.07 0.11 -0.01 0.21 -0.14 -0.19 -0.03 0.12 -0.01 -0.03 -0.04 -0.10 -0.08 -0.05 -0.01 -0.01 -0.00 -0.11 0.08 0.10 -0.00 0.01 0.00 -0.00 0.02 0.00 -0.04 0.05 0.02 0.02 -0.01 -0.02 0.00 -0.00 -0.00 -0.24 0.20 0.18 0.02 -0.00 -0.02 0.01 0.02 0.11 -0.00 -0.00 -0.00 -0.04 -0.04 0.01 -0.01 0.01 0.02 0.00 -0.01 -0.00 0.06 0.09 -0.12 0.01 0.09 0.10 -0.00 0.00 -0.00 0.01 -0.07 -0.01 0.00 0.02 0.07 0.01 -0.01 0.01 0.20 -0.01 0.01 -0.06 0.09 -0.22 -0.01 -0.01 0.01 -0.01 0.04 -0.17 -0.00 -0.01 0.03 -0.00 -0.00 0.00 0.05 0.08 -0.04 0.02 -0.01 0.01 0.00 -0.00 0.00 0.03 -0.05 -0.03 0.02 0.07 -0.03 -0.01 0.01 0.00 0.08 -0.31 0.06 0.27 0.20 -0.03 0.00 0.00 -0.00 -0.02 0.08 -0.03 -0.24 -0.05 0.02 0.00 -0.02 -0.01 0.07 -0.05 0.02 -0.18 0.12 0.07 0.12 0.08 0.05 0.00 0.00 0.00 0.02 0.07 0.18 -0.13 -0.05 -0.17 0.23 -0.07 0.20 -0.05 -0.16 -0.11 -0.09 0.29 -0.05 0.02 -0.03 -0.02 -0.07 0.11 -0.08 -0.00 0.00 0.00 -0.00 0.00 0.03 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.03 -0.00 -0.01 0.01 0.02 0.02 -0.00 0.01 -0.33 0.25 0.28 0.01 -0.01 -0.01 0.01 0.00 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 -0.02 0.03 0.02 -0.02 -0.03 -0.00 0.00 -0.01 0.02 -0.12 -0.02 0.05 0.06 0.14 -0.01 0.00 0.01 0.06 0.00 0.01 -0.04 0.01 -0.12 -0.01 0.00 0.00 -0.00 0.08 -0.12 0.07 -0.03 0.03 -0.00 0.00 0.00 0.03 0.07 -0.01 0.03 -0.03 0.02 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 0.01 0.00 0.01 0.00 0.02 -0.07 0.01 0.08 0.06 -0.05 0.01 -0.02 0.02 0.00 -0.01 0.01 -0.01 -0.03 0.02 0.01 -0.03 -0.01 0.04 -0.07 -0.01 -0.14 0.45 -0.03 0.16 0.10 0.08 -0.01 -0.01 0.00 -0.05 0.14 0.01 -0.19 -0.08 0.07 -0.00 -0.14 -0.11 0.16 0.07 -0.12 0.08 0.09 0.21 -0.00 0.03 0.03 0.20 0.07 0.07 0.00 0.01 -0.00 0.03 -0.02 -0.01 0.01 0.00 -0.01 0.01 -0.02 -0.03 0.01 0.01 -0.00 -0.03 0.01 0.00 -0.00 0.00 -0.00 0.18 -0.15 -0.14 -0.02 -0.00 -0.00 0.02 -0.08 -0.18 0.01 -0.00 -0.01 -0.07 -0.06 0.00 -0.02 0.02 0.06 0.01 -0.01 0.01 -0.11 0.07 -0.15 -0.08 0.10 0.15 -0.00 -0.01 0.00 0.04 0.08 0.02 0.01 -0.01 -0.06 0.00 0.00 0.00 -0.01 -0.03 -0.04 0.01 0.05 0.06 -0.01 0.00 0.01 -0.01 -0.01 -0.03 -0.03 0.01 0.00 0.01 0.00 0.00 -0.06 -0.10 0.05 -0.02 0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.02 -0.02 0.06 -0.02 0.08 0.00 0.00 -0.01 -0.03 -0.07 0.14 0.03 0.01 0.01 0.01 -0.03 0.01 -0.14 0.42 -0.17 -0.02 -0.26 -0.28 -0.01 0.01 -0.00 -0.10 0.06 -0.03 0.25 0.03 0.05 -0.10 -0.08 -0.00 -0.02 0.02 0.02 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.01 0.02 -0.02 -0.01 0.00 0.02 -0.00 0.01 0.01 0.06 0.00 0.03 0.00 -0.00 -0.00 -0.02 0.02 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 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.02 0.07 -0.10 -0.01 0.02 0.03 0.20 0.08 0.09 0.04 -0.13 -0.19 -0.00 0.03 -0.01 0.01 -0.33 0.52 0.04 -0.38 -0.45 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.02 0.05 -0.01 0.00 0.01 0.21 0.18 0.00 0.01 -0.01 -0.00 -0.05 0.08 -0.04 0.01 0.03 0.00 0.00 -0.00 -0.04 -0.05 0.03 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.09 0.04 -0.05 -0.10 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.02 0.02 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.03 0.01 -0.02 0.02 0.02 -0.02 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.01 0.00 0.00 0.01 0.04 -0.03 -0.03 -0.13 -0.01 -0.07 0.02 0.00 0.01 -0.15 0.16 0.03 -0.00 -0.00 0.00 -0.01 0.00 -0.02 0.02 -0.11 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.09 -0.06 -0.08 0.00 -0.00 -0.00 -0.01 0.00 0.15 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.02 0.03 -0.02 -0.00 -0.00 -0.00 0.06 0.01 0.01 0.07 0.01 -0.02 -0.00 0.01 -0.01 0.04 -0.38 -0.06 0.03 0.11 0.39 -0.00 -0.00 0.00 0.03 0.00 0.01 -0.01 0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.12 0.15 -0.12 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.04 0.05 0.04 -0.01 -0.10 0.06 0.01 -0.00 0.00 -0.09 0.36 -0.08 -0.22 -0.15 -0.22 -0.00 -0.01 0.01 0.01 0.06 -0.03 0.19 -0.03 -0.10 -0.01 0.00 -0.00 0.21 -0.16 0.05 -0.06 -0.06 0.11 0.11 0.18 -0.13 -0.02 0.01 0.02 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.02 0.00 0.00 -0.01 0.02 0.03 -0.00 -0.02 0.00 0.03 -0.00 -0.01 -0.29 0.29 0.11 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.04 -0.07 0.02 0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.09 0.05 0.07 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.02 0.01 -0.00 -0.00 0.00 0.03 0.02 -0.01 -0.02 -0.00 0.01 -0.00 -0.01 0.01 0.01 0.36 0.06 -0.06 -0.11 -0.35 0.00 -0.00 0.00 0.07 -0.01 -0.00 -0.02 0.05 -0.06 -0.01 -0.00 0.01 -0.01 0.06 -0.20 0.02 -0.01 0.02 0.00 -0.00 -0.00 -0.04 -0.04 0.05 0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.03 0.03 -0.01 -0.06 0.03 0.01 -0.02 -0.01 -0.14 0.38 0.05 -0.37 -0.28 0.10 0.01 -0.00 0.00 -0.00 -0.02 0.01 0.13 0.01 -0.03 0.01 -0.00 0.00 -0.09 0.11 -0.00 -0.02 0.00 -0.00 -0.06 -0.10 0.08 -0.00 0.01 0.00 0.01 -0.00 0.01 0.03 -0.01 -0.01 0.00 -0.01 0.01 -0.02 0.01 -0.02 -0.03 0.01 0.01 -0.01 0.02 0.02 0.13 0.03 0.06 0.01 -0.00 0.00 -0.09 0.09 0.03 0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.04 0.00 -0.03 0.01 0.01 0.00 0.00 -0.00 -0.03 0.01 0.03 -0.00 0.01 0.00 0.02 -0.07 -0.12 0.00 -0.01 -0.01 -0.01 0.04 -0.05 -0.01 0.02 0.03 0.01 -0.00 0.01 -0.16 -0.00 -0.07 -0.02 0.06 0.08 -0.00 0.00 -0.00 -0.00 -0.05 -0.01 0.05 0.04 0.06 -0.01 0.02 -0.01 -0.24 0.06 0.04 0.06 -0.22 0.17 0.03 0.00 -0.03 0.02 -0.21 0.75 -0.10 0.05 -0.05 0.01 0.00 -0.00 -0.08 -0.10 0.07 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.02 -0.01 -0.03 0.01 0.00 -0.00 0.00 -0.04 0.15 -0.02 -0.11 -0.08 -0.04 0.00 -0.00 0.00 0.01 -0.01 0.01 0.04 0.00 -0.00 0.01 -0.00 -0.00 -0.11 0.04 -0.05 0.03 0.08 -0.08 -0.04 -0.07 0.06 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.02 0.02 0.01 0.00 0.03 -0.04 -0.04 -0.26 -0.03 -0.13 -0.00 -0.00 -0.01 0.02 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.03 0.01 -0.02 0.05 0.01 0.02 -0.01 -0.01 -0.00 -0.00 0.01 0.02 0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.01 0.30 -0.01 -0.00 0.01 0.04 0.03 -0.00 0.02 0.01 -0.06 -0.01 -0.00 -0.01 0.09 0.01 0.02 0.15 0.03 -0.05 0.01 -0.00 0.01 0.01 0.31 0.05 -0.13 -0.13 -0.32 -0.01 0.00 -0.01 -0.08 0.01 0.01 0.02 -0.05 0.09 0.01 -0.00 -0.01 0.00 -0.07 0.35 -0.01 0.01 -0.05 -0.01 -0.01 0.01 0.21 0.27 -0.19 0.04 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.11 0.08 0.03 0.01 0.15 0.00 0.00 -0.00 -0.03 0.02 -0.00 -0.02 -0.01 -0.01 -0.01 0.00 0.01 0.27 -0.07 0.14 -0.09 -0.11 0.18 0.08 0.14 -0.12 -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 0.03 -0.03 -0.03 0.09 0.02 0.04 0.01 0.00 0.00 -0.05 0.05 0.01 0.01 -0.00 0.00 -0.02 0.04 -0.07 0.01 -0.03 -0.00 0.05 -0.00 0.04 -0.01 -0.00 0.01 0.03 -0.01 -0.02 -0.00 -0.00 0.01 -0.02 0.06 -0.14 -0.00 0.02 0.01 -0.01 -0.08 0.10 -0.04 -0.11 0.01 0.01 0.01 -0.00 -0.03 -0.05 0.06 -0.15 -0.09 -0.04 -0.01 0.00 -0.01 0.21 0.05 0.04 -0.14 -0.04 0.01 0.00 0.01 -0.00 -0.04 -0.06 -0.07 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 -0.02 0.02 -0.02 0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.02 -0.00 -0.04 -0.01 0.01 -0.01 -0.01 0.01 0.19 -0.29 -0.30 0.21 0.45 -0.08 0.01 0.00 -0.01 -0.13 0.08 0.31 -0.10 -0.07 -0.11 0.00 -0.01 -0.01 -0.04 -0.03 0.02 -0.20 -0.00 0.08 -0.01 -0.00 0.01 0.09 -0.22 -0.04 0.02 0.03 -0.04 0.12 0.18 -0.13 -0.05 -0.06 0.02 -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 0.00 0.00 -0.04 0.06 0.06 -0.27 -0.05 -0.14 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.02 -0.02 0.02 -0.03 -0.01 0.02 0.01 0.01 0.01 0.00 -0.01 -0.05 0.01 0.04 0.01 -0.01 -0.01 -0.04 0.12 0.27 -0.01 0.01 0.01 0.02 -0.04 0.07 -0.01 -0.05 -0.04 -0.01 0.00 -0.01 0.27 0.05 0.05 0.11 -0.02 -0.07 -0.01 -0.01 -0.00 0.03 -0.11 -0.01 0.19 0.10 0.14 0.00 0.00 0.00 -0.02 -0.06 -0.08 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.10 0.02 -0.00 -0.05 -0.00 -0.01 0.00 -0.00 0.03 0.03 0.09 0.01 -0.02 -0.01 -0.00 0.01 0.12 -0.18 -0.16 0.12 0.26 -0.03 0.00 0.00 -0.00 -0.03 0.04 0.06 -0.02 -0.01 -0.08 -0.00 -0.01 0.00 -0.01 0.03 -0.01 -0.05 -0.02 0.00 0.02 0.00 -0.02 -0.16 0.40 0.06 -0.04 -0.04 0.09 -0.22 -0.33 0.23 -0.02 -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 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 -0.12 -0.17 -0.02 -0.00 0.00 0.00 0.02 -0.02 -0.01 -0.01 0.00 0.00 -0.02 0.15 0.01 0.00 0.00 -0.00 0.16 -0.06 -0.08 0.00 -0.00 0.00 -0.01 0.02 0.01 0.02 -0.02 0.00 -0.12 0.43 -0.01 0.02 -0.00 -0.01 -0.06 -0.02 -0.03 -0.03 0.01 0.11 -0.00 0.00 0.00 0.45 0.16 -0.02 -0.43 -0.15 0.02 0.01 0.00 0.00 -0.01 -0.05 -0.01 -0.21 -0.09 -0.02 0.00 0.00 0.00 -0.02 -0.03 -0.03 0.00 -0.03 -0.01 -0.01 -0.01 -0.00 -0.01 0.03 0.15 0.04 -0.02 -0.07 0.00 0.01 -0.00 -0.14 -0.16 0.13 -0.02 -0.02 0.02 0.00 0.00 -0.00 -0.06 0.08 0.03 -0.02 -0.11 0.04 -0.00 -0.00 0.00 0.04 -0.02 -0.09 0.04 0.03 -0.02 -0.00 0.00 0.00 0.02 0.00 -0.01 0.08 0.01 -0.03 0.01 0.00 0.00 -0.07 -0.13 -0.11 -0.01 -0.01 0.03 0.03 0.05 -0.06 -0.03 -0.00 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.04 -0.04 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.00 -0.00 0.01 -0.02 0.01 -0.09 0.03 -0.04 -0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.06 0.00 -0.01 -0.00 0.02 0.07 -0.07 0.03 0.06 -0.01 -0.00 -0.00 0.00 0.04 0.04 -0.04 0.07 0.05 0.03 -0.02 -0.00 -0.01 0.39 0.06 0.07 -0.03 0.02 0.09 -0.00 -0.01 -0.00 0.02 0.07 0.09 0.00 0.05 0.04 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.03 -0.03 0.03 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.15 0.23 0.13 -0.14 -0.26 0.01 0.00 -0.00 -0.01 -0.19 -0.07 0.59 0.02 0.03 -0.32 0.02 0.02 -0.03 -0.10 -0.11 0.07 -0.18 0.07 0.11 0.01 0.00 -0.00 -0.06 0.03 -0.03 0.01 0.01 -0.01 -0.03 -0.05 0.03 -0.03 -0.00 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.02 -0.02 -0.08 -0.22 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.10 0.02 0.00 -0.00 -0.00 0.06 -0.04 -0.11 0.00 -0.00 0.00 -0.03 0.03 0.02 -0.01 0.02 -0.02 0.03 -0.12 0.24 -0.02 0.00 0.01 0.05 0.02 0.03 0.03 0.02 -0.12 -0.02 -0.01 0.00 0.05 0.01 0.01 0.56 0.18 -0.04 0.01 0.01 0.00 -0.02 -0.05 -0.01 -0.24 -0.09 -0.03 -0.00 -0.00 0.00 0.00 -0.05 -0.06 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.01 0.02 0.00 -0.18 -0.23 0.16 -0.07 -0.03 0.04 -0.00 -0.00 0.00 0.04 -0.06 -0.03 0.05 0.05 0.02 -0.00 -0.00 0.00 0.02 0.02 -0.09 0.01 0.01 -0.03 -0.00 -0.00 0.00 0.02 -0.00 -0.01 0.02 0.00 -0.00 0.01 0.01 0.01 -0.25 -0.27 -0.28 0.07 0.08 -0.09 0.02 0.06 -0.10 -0.01 0.04 0.03 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 -0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 -0.00 0.00 -0.00 -0.00 0.04 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 0.04 0.04 -0.00 -0.00 0.01 0.13 0.16 -0.08 0.00 -0.09 -0.06 0.00 -0.00 -0.00 -0.02 0.04 -0.07 -0.06 0.03 0.06 0.00 0.00 0.00 -0.03 -0.03 -0.01 -0.06 -0.02 -0.00 -0.01 -0.03 -0.04 0.08 0.57 0.67 0.02 0.11 0.15 -0.01 -0.01 -0.02 -0.00 0.06 -0.03 0.05 -0.05 0.11 0.00 0.00 -0.00 -0.02 -0.02 0.02 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.04 -0.07 -0.12 0.07 0.15 -0.03 -0.00 0.00 0.00 0.02 0.02 -0.06 -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 -0.02 0.00 -0.02 -0.01 -0.01 0.02 -0.02 -0.02 -0.01 -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.10 0.21 -0.14 0.01 -0.00 -0.01 -0.03 0.03 0.03 -0.01 0.01 -0.00 0.02 -0.17 0.05 -0.04 0.04 0.02 -0.12 0.06 0.14 -0.01 0.00 0.00 0.07 -0.05 -0.06 0.01 -0.01 -0.00 -0.01 0.05 0.05 -0.00 -0.00 0.00 0.02 0.03 -0.02 0.00 0.00 -0.01 -0.01 0.00 0.00 0.26 0.09 -0.00 0.03 0.00 -0.01 -0.01 -0.01 -0.01 -0.09 0.03 -0.02 0.41 0.16 0.07 -0.00 -0.00 -0.00 0.01 0.03 0.04 0.00 0.02 0.02 -0.01 -0.00 -0.00 -0.00 0.02 0.03 0.03 -0.01 -0.02 0.01 0.01 0.00 -0.07 -0.08 0.07 -0.02 -0.04 0.04 0.00 -0.00 0.00 -0.03 0.04 0.08 -0.12 0.03 -0.14 0.01 0.01 -0.02 -0.03 -0.03 0.11 -0.13 -0.11 0.42 0.01 -0.00 -0.00 -0.05 0.03 0.00 -0.22 -0.03 0.05 -0.01 -0.00 0.01 -0.13 -0.24 -0.17 0.06 0.07 -0.08 0.16 0.16 0.01 0.08 -0.07 -0.09 -0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.02 -0.00 -0.01 0.01 -0.00 0.01 0.02 -0.00 -0.01 -0.01 -0.15 0.58 -0.28 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.07 -0.12 0.02 -0.02 -0.01 -0.02 0.08 0.34 0.01 -0.00 0.00 -0.06 0.05 0.05 0.00 -0.02 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.02 -0.01 -0.01 0.02 0.05 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.01 0.01 0.08 0.06 0.03 -0.13 -0.06 -0.07 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 -0.02 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.01 0.01 -0.04 0.04 0.00 0.00 0.01 -0.11 0.13 -0.22 0.02 0.02 0.02 -0.01 -0.01 0.01 0.04 0.01 -0.13 0.09 0.07 -0.24 -0.01 -0.00 0.01 0.02 -0.00 -0.00 0.21 0.01 -0.07 0.01 0.01 0.01 -0.16 -0.11 -0.15 0.02 0.01 -0.01 -0.10 -0.06 -0.10 -0.09 -0.21 -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 -0.02 0.00 -0.01 0.01 0.03 0.03 0.03 -0.03 0.02 -0.00 0.00 0.00 0.02 -0.02 -0.01 0.00 0.01 -0.00 -0.02 -0.10 -0.17 -0.00 0.01 0.00 -0.05 0.01 -0.03 -0.02 0.00 -0.00 0.15 -0.14 -0.12 0.01 0.00 -0.00 0.01 0.01 -0.03 -0.00 0.00 0.00 0.00 -0.01 0.02 0.01 0.00 -0.02 -0.01 -0.00 0.00 0.06 0.02 0.00 0.09 0.03 -0.01 -0.02 -0.01 0.00 0.21 0.21 0.07 0.27 0.09 -0.01 0.00 -0.00 -0.00 -0.00 0.02 0.03 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 0.01 -0.01 -0.17 -0.16 0.16 0.04 -0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.04 -0.17 0.23 -0.07 0.26 -0.01 -0.01 0.00 0.02 -0.09 -0.01 0.09 0.06 -0.01 -0.02 0.01 -0.01 0.05 -0.07 0.01 0.39 0.07 -0.08 -0.00 -0.01 -0.01 0.05 0.02 0.04 -0.07 -0.14 0.09 0.31 0.20 0.25 -0.14 0.10 0.13 -0.06 0.13 0.04 0.27 -0.07 -0.07 -0.15 -0.01 -0.25 -0.09 -0.24 0.15 -0.02 0.29 0.18 0.00 0.00 0.00 0.09 -0.28 0.13 0.00 -0.00 -0.01 -0.06 0.05 0.03 0.00 0.00 0.00 -0.02 0.07 -0.05 -0.03 0.01 0.01 0.04 -0.07 -0.24 0.00 -0.00 -0.00 -0.03 0.02 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.02 0.00 0.01 -0.00 -0.03 -0.02 -0.00 0.00 0.00 0.09 0.03 0.00 0.02 0.01 -0.01 0.00 -0.01 -0.00 0.05 -0.01 0.01 -0.03 -0.00 0.04 0.00 -0.01 -0.01 0.01 0.07 0.08 0.01 0.04 0.05 -0.00 -0.00 -0.00 0.00 0.04 -0.05 0.05 -0.02 0.01 -0.00 -0.01 0.00 0.06 0.05 -0.06 -0.02 0.02 -0.02 -0.01 0.00 -0.01 0.07 -0.09 -0.00 0.17 -0.08 0.21 -0.00 0.00 -0.01 0.00 -0.03 0.01 -0.03 -0.03 0.20 -0.00 -0.01 0.00 0.02 0.04 -0.03 0.06 -0.01 -0.03 -0.00 -0.00 0.00 0.07 0.05 0.07 0.11 0.37 0.05 -0.02 -0.02 -0.01 -0.07 0.19 0.11 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.04 -0.03 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.03 0.01 0.00 0.00 -0.04 0.10 -0.17 -0.04 0.06 0.02 0.13 -0.02 0.04 0.01 -0.00 0.00 -0.06 0.05 0.05 0.00 0.00 -0.00 -0.01 0.03 0.02 0.00 -0.01 0.01 -0.03 -0.02 -0.00 0.03 0.06 0.00 0.01 -0.00 -0.00 -0.21 -0.07 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.14 -0.18 -0.00 -0.14 -0.00 0.22 0.00 0.00 0.00 -0.01 -0.02 -0.03 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.02 0.01 0.02 -0.00 0.00 -0.00 -0.02 -0.02 0.02 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.17 0.20 -0.33 0.11 -0.09 0.16 -0.00 0.02 -0.03 0.00 -0.11 0.08 -0.10 -0.09 0.61 -0.00 0.01 -0.01 0.02 -0.04 0.00 -0.02 0.03 0.03 0.01 0.01 -0.00 0.01 0.04 0.01 -0.06 -0.05 0.09 -0.13 -0.10 -0.09 -0.19 -0.06 0.11 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.00 0.01 0.05 0.05 0.04 0.08 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.15 0.05 0.00 -0.01 -0.00 0.14 0.00 0.13 -0.02 0.00 -0.01 0.16 -0.16 -0.13 -0.01 -0.00 -0.00 -0.01 0.04 -0.09 -0.00 -0.01 0.00 0.01 0.03 -0.03 0.03 0.06 -0.02 -0.01 -0.01 0.01 0.04 0.02 -0.01 0.18 0.07 0.01 0.01 0.01 0.00 -0.11 -0.12 -0.04 -0.30 -0.12 -0.03 -0.00 -0.00 0.00 0.00 -0.03 -0.03 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.10 -0.08 0.11 0.08 0.01 -0.02 0.01 -0.01 0.01 -0.14 0.18 -0.14 -0.14 0.08 -0.18 0.00 0.00 0.00 0.00 0.06 -0.05 -0.04 -0.03 -0.02 0.01 -0.01 0.01 -0.03 0.06 -0.01 -0.22 -0.05 0.04 -0.00 -0.02 -0.02 0.11 0.24 0.17 0.01 -0.05 0.01 0.32 0.13 0.41 0.01 -0.21 -0.08 0.02 -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 -0.02 0.01 -0.01 0.01 0.01 0.20 -0.06 0.13 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.11 -0.00 0.01 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.02 -0.02 -0.01 -0.03 -0.00 0.00 -0.00 -0.06 -0.11 -0.00 -0.00 0.01 0.01 0.03 -0.02 0.02 0.03 -0.02 -0.02 0.00 0.01 0.41 0.13 0.01 0.10 0.02 -0.03 -0.00 -0.00 0.00 0.08 0.03 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.02 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.03 0.05 0.03 -0.01 -0.03 0.00 -0.02 0.01 0.29 0.27 -0.28 -0.08 0.02 -0.01 -0.00 -0.00 0.00 -0.09 0.10 -0.22 0.10 -0.04 0.12 -0.00 -0.00 0.00 0.03 0.01 -0.11 0.00 0.00 0.02 -0.00 0.01 -0.00 0.05 -0.05 0.01 -0.01 0.02 0.03 -0.01 -0.01 0.00 -0.05 0.04 -0.00 0.26 0.28 -0.41 0.01 -0.02 0.10 -0.11 0.01 0.08 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.04 -0.04 0.27 0.04 0.12 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.06 -0.00 0.00 0.00 -0.00 -0.03 0.03 0.08 0.01 -0.00 0.01 -0.11 0.11 0.10 -0.01 -0.00 -0.00 0.01 0.00 -0.30 -0.01 -0.00 0.00 0.03 0.05 -0.03 0.02 0.02 -0.04 -0.03 -0.01 0.02 0.37 0.13 -0.01 0.28 0.09 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.10 0.04 0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.02 0.03 0.03 -0.01 -0.03 -0.01 0.01 -0.01 -0.16 -0.14 0.15 0.06 0.02 -0.02 0.00 -0.00 0.01 -0.04 0.05 -0.07 -0.03 0.05 -0.06 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.34 0.03 0.22 -0.12 -0.10 0.17 -0.23 -0.07 -0.37 0.01 -0.06 -0.03 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.05 0.33 -0.08 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.02 -0.00 -0.01 0.03 0.01 -0.02 0.02 0.01 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.01 -0.01 -0.01 0.01 0.01 -0.04 -0.13 -0.01 0.01 -0.01 0.04 0.02 0.01 -0.03 -0.07 -0.01 -0.01 -0.00 0.01 0.19 0.06 0.00 0.09 0.03 -0.01 0.01 0.02 -0.01 0.11 -0.17 -0.01 -0.39 -0.10 0.11 -0.00 -0.00 -0.00 0.00 0.02 0.02 0.00 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 0.02 0.03 -0.01 0.02 -0.00 -0.00 -0.01 0.02 -0.02 0.26 -0.30 0.41 0.03 -0.04 0.05 -0.00 0.01 -0.02 -0.04 -0.11 0.20 -0.02 -0.02 0.27 -0.01 0.01 -0.00 -0.01 -0.06 0.03 0.26 0.05 -0.06 0.00 -0.00 -0.01 -0.00 0.10 0.03 0.03 -0.03 -0.04 0.02 -0.03 0.10 0.05 0.09 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 -0.01 0.00 0.01 -0.00 0.00 0.00 0.05 -0.23 0.10 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 0.10 0.14 -0.01 0.01 0.00 0.13 -0.01 0.07 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.02 0.04 -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 -0.04 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.06 0.01 0.01 0.08 0.04 0.05 0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.09 0.08 -0.09 -0.04 0.01 -0.00 0.01 -0.01 0.01 -0.07 0.08 -0.07 -0.22 0.24 -0.35 -0.00 0.00 -0.01 -0.04 -0.11 0.22 0.04 0.03 0.09 -0.02 0.00 0.01 -0.08 -0.02 0.04 0.60 0.03 -0.19 0.00 0.00 0.00 -0.08 -0.04 -0.06 0.02 0.01 -0.04 -0.01 -0.01 0.01 0.13 -0.24 -0.17 0.02 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.02 -0.05 0.01 -0.15 -0.00 0.01 0.00 0.07 -0.01 0.06 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.02 0.08 0.02 -0.00 0.00 -0.00 0.03 0.05 -0.03 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.07 -0.02 -0.02 0.02 0.02 0.01 -0.02 -0.01 -0.01 0.65 0.18 0.14 -0.02 0.03 0.14 -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 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.03 0.03 0.02 0.00 -0.00 0.01 0.00 -0.01 0.08 -0.07 0.24 -0.16 0.08 -0.21 -0.02 -0.00 0.01 0.13 0.06 -0.46 -0.01 0.00 0.10 0.01 -0.01 0.01 0.01 0.08 -0.03 -0.11 -0.05 0.00 -0.00 -0.00 -0.00 0.06 0.03 0.05 0.02 0.08 -0.04 -0.01 -0.01 -0.01 -0.01 -0.09 -0.02 0.14 0.00 -0.01 -0.04 0.01 0.01 -0.02 0.00 -0.02 -0.01 -0.01 0.01 -0.00 -0.02 0.02 -0.01 -0.02 -0.02 -0.19 0.08 -0.13 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.08 0.06 0.00 0.01 -0.00 0.11 -0.02 0.01 0.00 0.00 0.00 -0.03 0.03 0.03 0.01 -0.01 0.01 -0.10 0.33 0.03 -0.00 0.01 -0.00 -0.07 -0.15 0.11 0.00 0.00 -0.02 0.01 -0.01 -0.00 -0.21 -0.07 -0.01 0.14 0.06 0.02 -0.00 -0.01 0.00 -0.13 0.00 -0.02 0.10 0.02 -0.03 0.00 0.00 -0.00 0.01 0.04 0.04 0.00 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.01 0.02 -0.01 0.01 -0.01 -0.14 -0.12 0.14 0.08 0.00 -0.01 -0.00 0.01 -0.00 0.03 -0.03 0.04 0.04 -0.06 0.07 0.00 -0.00 -0.00 -0.03 -0.03 0.12 0.01 0.01 -0.02 -0.01 0.01 -0.00 0.01 -0.07 0.03 0.14 0.03 -0.02 -0.02 -0.01 0.00 0.32 0.09 0.26 0.17 0.42 -0.32 -0.02 0.03 -0.11 -0.00 -0.04 -0.02 -0.03 -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 0.07 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.13 0.03 0.00 -0.00 -0.00 0.15 -0.05 -0.08 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.13 0.44 -0.23 -0.01 -0.02 0.01 0.26 0.49 -0.34 -0.01 -0.02 -0.00 0.00 -0.02 0.01 -0.19 -0.01 -0.10 0.18 0.11 0.07 -0.00 -0.01 0.00 -0.08 0.03 -0.01 0.14 0.04 -0.02 -0.01 -0.01 0.01 0.02 -0.15 -0.15 -0.02 0.09 0.03 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.10 0.09 -0.09 -0.03 0.00 0.00 -0.01 0.00 -0.00 0.06 -0.08 0.01 0.10 0.01 0.08 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 -0.03 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.05 0.00 0.02 0.00 0.00 0.00 -0.07 -0.04 -0.06 0.00 -0.04 0.01 -0.00 -0.01 0.01 -0.04 0.02 0.03 0.07 0.02 -0.03 -0.02 0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.04 -0.04 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.12 -0.04 0.00 0.01 -0.00 -0.14 0.04 0.05 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.02 -0.01 0.11 -0.37 0.26 -0.00 -0.02 0.01 0.24 0.49 -0.35 -0.02 -0.02 0.04 0.01 0.01 0.00 0.06 0.05 -0.03 -0.29 -0.09 0.01 0.01 0.01 0.00 -0.02 -0.04 -0.01 -0.11 -0.04 -0.01 -0.01 -0.01 0.02 0.03 -0.15 -0.15 -0.02 0.08 0.02 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 -0.00 0.00 -0.01 -0.13 -0.12 0.12 0.05 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.09 0.03 0.09 -0.03 0.00 0.00 -0.00 -0.01 -0.02 0.05 0.00 0.00 0.02 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.10 0.01 -0.03 -0.00 -0.01 -0.00 0.13 0.05 0.11 0.04 0.12 -0.08 0.00 0.01 -0.03 0.01 0.02 0.01 0.31 0.14 -0.20 -0.08 0.01 0.03 -0.02 -0.01 0.01 -0.04 -0.08 0.06 -0.02 0.01 0.00 -0.03 -0.00 -0.01 0.17 0.03 0.09 -0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.00 -0.01 0.01 0.05 -0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.04 -0.28 -0.00 0.00 -0.00 -0.02 -0.04 0.03 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.07 0.02 0.00 0.10 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.07 -0.03 0.01 -0.01 0.01 -0.01 0.01 0.16 0.15 -0.15 -0.08 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.03 0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.04 -0.02 -0.02 -0.01 -0.00 0.02 0.01 -0.00 -0.30 -0.09 -0.24 -0.35 -0.25 0.48 0.04 -0.02 0.12 -0.01 -0.03 -0.00 0.24 -0.26 0.37 -0.04 0.03 -0.01 -0.09 0.01 -0.15 0.00 0.07 -0.06 0.00 0.04 -0.02 -0.01 0.00 0.00 0.09 0.07 0.04 -0.00 -0.00 0.00 0.02 -0.02 -0.01 0.00 -0.00 0.01 0.01 -0.02 0.04 0.01 0.01 -0.00 -0.08 -0.03 -0.19 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.01 0.02 -0.05 -0.16 -0.00 -0.00 0.00 0.03 0.06 -0.04 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.06 0.02 -0.00 0.02 0.01 -0.00 0.00 0.00 -0.00 0.04 0.00 0.00 -0.07 -0.02 -0.00 -0.01 -0.00 0.00 0.09 -0.02 -0.02 -0.01 0.07 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.07 0.06 -0.06 -0.04 0.00 0.00 0.00 -0.01 0.01 -0.06 0.06 -0.09 -0.04 0.06 -0.08 -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 -0.05 0.03 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.18 -0.03 -0.13 -0.43 0.18 0.46 0.08 0.01 0.14 0.04 0.16 0.03 0.01 -0.01 0.04 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.07 -0.27 0.12 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.03 0.03 -0.15 0.00 -0.00 -0.00 0.20 0.09 0.56 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.03 0.02 -0.06 0.06 -0.00 0.00 -0.00 0.02 0.02 -0.01 -0.02 -0.03 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.03 -0.01 -0.00 0.00 -0.00 0.01 -0.15 -0.02 -0.02 0.06 0.01 -0.04 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.04 -0.02 0.16 -0.18 0.24 0.13 -0.16 0.22 0.00 0.00 0.00 -0.01 0.00 0.04 -0.00 -0.00 -0.02 0.00 0.00 -0.01 0.03 -0.02 -0.00 -0.05 0.01 0.03 0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.04 0.01 0.05 0.01 0.00 0.01 -0.15 -0.47 -0.08 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.26 -0.05 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.55 0.36 0.00 0.00 -0.00 0.39 -0.11 -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 0.01 0.09 -0.36 0.05 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.10 0.03 0.02 -0.08 -0.04 -0.02 -0.02 -0.03 -0.01 0.11 0.10 0.03 0.21 0.08 0.05 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.03 -0.02 0.02 0.02 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.02 -0.03 0.10 -0.07 0.15 -0.00 -0.00 0.00 0.01 0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 -0.00 0.02 -0.00 -0.01 -0.05 0.00 0.02 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.02 0.02 -0.01 0.00 -0.02 0.07 -0.10 -0.08 -0.01 0.12 0.08 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.06 -0.04 0.00 0.00 0.00 -0.01 -0.09 0.03 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.02 0.11 -0.14 0.51 -0.00 -0.00 0.00 -0.28 0.09 0.13 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.12 -0.05 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.02 -0.00 -0.01 0.02 0.01 0.01 -0.01 0.01 -0.02 0.25 0.02 0.03 -0.15 -0.03 0.06 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.02 0.01 0.01 -0.04 0.01 -0.18 0.20 -0.12 0.29 -0.00 0.00 -0.00 0.01 0.00 -0.04 -0.00 -0.00 0.03 -0.00 0.00 -0.00 0.03 -0.03 0.00 -0.03 0.01 0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.04 0.05 -0.01 0.01 -0.01 0.02 0.42 -0.09 -0.30 -0.01 0.33 0.22 0.01 -0.02 -0.01 -0.01 -0.01 -0.04 -0.00 -0.02 0.00 0.01 -0.17 -0.10 0.01 0.01 0.01 0.02 0.20 -0.02 0.00 0.00 -0.00 -0.02 0.01 0.01 0.00 -0.01 0.01 -0.09 0.19 -0.39 -0.00 -0.00 0.00 0.26 -0.08 -0.14 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.05 -0.19 -0.09 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.06 0.02 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.02 -0.21 -0.01 -0.02 0.13 0.02 -0.05 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.00 0.02 0.01 -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 0.02 -0.01 -0.01 0.03 -0.01 0.15 -0.17 0.10 -0.24 0.00 -0.00 -0.00 -0.01 -0.00 0.06 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.02 -0.03 0.03 0.08 0.01 -0.05 0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.10 0.08 -0.02 0.02 0.01 0.01 -0.36 0.10 0.26 -0.08 -0.01 -0.07 0.00 0.00 0.01 0.01 -0.00 0.01 0.01 0.00 0.00 0.05 -0.04 0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.02 0.00 0.00 0.00 0.02 -0.04 -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 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.03 -0.01 -0.01 0.00 -0.01 -0.00 -0.03 0.01 -0.02 -0.44 0.80 0.35 0.06 0.02 0.07 -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 0.03 -0.09 0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.04 -0.05 0.04 0.33 0.38 0.00 -0.00 -0.00 -0.19 0.14 0.51 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.06 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.04 0.04 0.01 0.02 0.02 0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.02 0.03 0.04 -0.06 0.07 -0.11 -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 0.01 -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 -0.29 0.44 0.32 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.26 0.01 -0.15 0.04 -0.15 -0.19 0.00 0.00 0.01 -0.04 0.06 -0.12 0.03 -0.10 -0.11 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 0.00 0.00 -0.03 0.09 -0.08 0.03 -0.05 -0.01 0.05 0.65 0.09 -0.55 0.18 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -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 0.42 0.25 0.35 -0.00 -0.00 -0.00 -0.00 -0.02 0.02 -0.11 0.10 -0.30 0.00 0.00 0.00 0.00 -0.00 -0.00 0.18 0.26 -0.07 -0.00 0.00 -0.00 -0.03 -0.05 -0.00 0.13 0.56 -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 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 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 0.01 0.02 -0.03 -0.02 -0.05 0.58 -0.05 0.36 -0.08 0.35 0.42 -0.00 0.00 -0.01 0.02 -0.04 0.06 -0.01 0.04 0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.07 -0.00 0.00 0.01 -0.03 0.04 0.01 -0.03 -0.00 0.02 0.32 0.04 -0.27 0.09 0.01 0.00 -0.00 -0.00 -0.01 0.04 0.04 -0.04 0.02 -0.01 -0.00 -0.00 -0.00 -0.03 0.03 0.03 0.05 0.05 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.01 0.02 0.02 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -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 0.01 -0.00 -0.00 0.10 0.07 0.02 -0.00 -0.00 0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.02 0.05 0.12 0.00 0.00 0.00 -0.05 0.00 -0.03 0.01 -0.03 -0.03 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 0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 0.02 -0.01 -0.00 0.04 -0.05 -0.02 -0.14 0.50 0.51 -0.51 0.27 -0.20 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 -0.01 0.00 -0.01 0.01 -0.09 0.14 0.02 -0.01 0.00 0.01 0.05 0.10 -0.13 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.22 0.13 0.18 0.01 0.01 0.00 0.01 0.04 -0.04 0.22 -0.20 0.57 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.33 -0.48 0.13 0.00 -0.00 -0.00 -0.02 -0.03 -0.00 0.07 0.31 -0.15 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.02 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.03 -0.00 -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.02 -0.02 -0.00 0.00 -0.00 0.03 -0.04 -0.00 0.00 -0.01 -0.00 -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 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.03 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.02 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.04 -0.00 -0.02 0.01 -0.02 -0.02 0.00 0.00 0.00 -0.01 0.02 -0.03 0.01 -0.02 -0.02 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.05 -0.00 -0.00 0.01 -0.03 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.05 0.07 0.08 0.08 0.07 0.02 -0.00 -0.02 -0.01 -0.08 0.18 0.04 0.17 0.11 0.08 -0.00 -0.06 -0.02 -0.11 0.52 -0.24 0.16 0.47 0.53 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 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 0.03 -0.00 0.00 -0.06 -0.04 -0.02 0.00 0.00 -0.00 0.01 -0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.02 0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.04 -0.01 0.00 0.00 0.00 0.01 -0.03 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.08 -0.15 -0.00 0.06 -0.02 -0.13 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.05 -0.09 -0.14 0.12 -0.06 0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.01 -0.05 0.03 -0.39 0.54 0.04 0.01 -0.01 -0.01 0.20 0.38 -0.50 -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 -0.12 -0.05 -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 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.02 -0.05 -0.12 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 0.01 0.01 0.00 0.00 0.04 -0.10 0.24 -0.40 0.09 -0.32 -0.36 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.04 0.02 -0.01 0.52 -0.04 -0.04 0.11 -0.35 0.28 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.02 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 0.01 -0.03 -0.00 -0.03 -0.02 -0.01 0.00 0.00 0.00 0.01 -0.04 0.02 -0.01 -0.04 -0.04 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.57 0.26 0.18 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.03 0.00 0.00 -0.00 0.04 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.03 -0.04 -0.12 0.27 0.58 0.00 0.00 0.00 -0.05 0.01 -0.03 0.01 -0.03 -0.03 0.00 -0.00 -0.00 -0.04 -0.02 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.02 -0.04 -0.00 0.01 -0.00 -0.04 -0.02 0.01 -0.01 0.21 -0.02 -0.02 0.04 -0.14 0.11 0.00 -0.00 0.00 0.00 0.03 -0.01 -0.02 0.01 0.01 -0.01 0.01 0.00 0.03 -0.10 -0.11 0.10 -0.05 0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 -0.00 -0.05 0.02 0.06 0.01 0.02 -0.02 0.05 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 -0.13 -0.06 -0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 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 0.01 0.01 0.01 0.03 -0.06 -0.14 0.01 0.00 0.01 -0.13 0.04 -0.11 0.02 -0.08 -0.10 -0.00 -0.00 -0.04 0.12 -0.23 0.39 -0.09 0.32 0.36 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.02 -0.03 0.02 -0.01 0.47 -0.05 -0.05 0.09 -0.31 0.24 0.00 -0.01 -0.00 0.01 0.15 0.00 -0.12 0.04 0.01 0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.02 0.01 -0.01 0.00 0.00 0.00 0.03 -0.03 -0.03 -0.04 -0.04 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 0.02 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 -0.00 0.01 -0.03 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.01 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.07 0.12 0.00 -0.04 0.01 0.13 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.01 0.01 0.06 -0.09 -0.10 -0.10 -0.10 -0.03 -0.02 -0.06 -0.02 -0.22 0.59 0.08 0.51 0.34 0.23 0.00 0.01 0.00 0.03 -0.14 0.07 -0.07 -0.13 -0.14 0.00 -0.00 0.00 -0.03 0.04 0.00 0.00 -0.01 0.00 0.01 0.02 -0.04 -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 0.03 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 -0.05 0.00 -0.01 -0.00 -0.09 0.01 -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.03 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.03 -0.04 -0.04 -0.30 0.58 0.02 -0.20 0.05 0.60 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.02 -0.01 0.01 0.00 0.01 0.01 0.05 -0.06 -0.07 -0.07 -0.08 -0.02 0.01 0.01 0.01 0.06 -0.15 -0.01 -0.12 -0.08 -0.10 -0.00 -0.00 -0.00 -0.01 0.05 -0.02 0.02 0.04 0.05 0.00 -0.01 0.00 -0.09 0.14 0.01 0.00 -0.01 -0.00 0.04 0.07 -0.11 -0.01 -0.06 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.02 -0.00 -0.00 0.00 0.05 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.08 -0.02 -0.03 0.01 -0.02 -0.04 -0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.01 0.02 0.02 0.01 -0.01 -0.01 -0.07 0.13 0.00 -0.05 0.01 0.14 -0.00 0.00 -0.00 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 -0.01 -0.05 -0.03 -0.28 0.38 0.45 0.45 0.48 0.12 -0.00 -0.01 -0.00 -0.03 0.08 0.01 0.06 0.04 0.02 -0.00 0.01 0.00 0.03 -0.12 0.05 -0.03 -0.10 -0.12 0.00 -0.00 0.00 -0.02 0.03 0.00 0.00 -0.01 0.00 0.01 0.01 -0.02 0.04 -0.00 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 -0.01 -0.06 -0.28 -0.11 -0.00 -0.00 -0.00 0.59 -0.06 0.33 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.06 -0.04 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.06 0.00 -0.04 0.00 0.06 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.02 -0.10 -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 -0.00 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 0.36 0.52 -0.10 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.02 -0.18 0.55 -0.49 0.00 0.00 -0.00 -0.34 0.04 0.14 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.05 -0.03 0.00 0.08 0.01 -0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 0.02 -0.04 0.03 0.00 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.47 0.13 -0.17 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.08 0.00 -0.03 0.74 0.07 -0.15 -0.00 0.00 0.00 0.02 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.03 0.00 -0.06 0.02 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.04 0.03 0.00 -0.03 0.02 0.03 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 -0.01 0.00 0.33 -0.16 0.52 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.05 -0.05 -0.55 -0.09 0.12 0.00 -0.00 -0.00 -0.07 -0.43 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.04 -0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.04 -0.02 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 0.03 0.01 -0.03 0.02 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.33 -0.20 0.57 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.01 -0.31 -0.05 0.05 0.00 0.00 -0.00 0.16 0.83 -0.20 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.08 0.04 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.01 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 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.18 -0.11 0.27 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.01 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 -0.01 -0.09 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.06 -0.02 -0.00 0.91 0.27 0.03 0.00 -0.01 -0.01 -0.06 0.10 0.10 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.03 0.08 0.05 0.03 -0.10 0.08 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 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.15 -0.05 0.09 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.02 0.02 -0.03 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.15 -0.04 -0.00 0.02 -0.04 -0.04 -0.37 0.62 0.61 0.07 -0.03 0.01 -0.00 0.00 -0.00 0.01 -0.02 -0.01 0.02 -0.05 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 0.00 0.09 -0.08 -0.04 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.01 -0.02 0.00 0.00 0.00 -0.01 -0.01 0.00 0.17 0.12 -0.01 0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.03 0.02 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.01 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 0.02 0.01 0.02 -0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 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 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.03 -0.08 -0.07 0.48 0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.14 0.09 0.15 -0.00 -0.01 -0.00 0.12 0.03 0.04 -0.06 0.07 0.00 0.01 -0.03 0.03 0.02 0.01 0.06 -0.17 0.53 -0.44 -0.00 -0.01 0.00 0.06 0.04 -0.09 -0.29 -0.06 -0.24 -0.06 0.05 0.03 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.06 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.05 -0.14 -0.13 0.81 -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 -0.00 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 -0.01 0.00 0.01 0.00 0.00 0.00 0.11 -0.07 -0.12 0.00 -0.01 0.00 0.08 0.02 0.02 -0.10 0.13 0.00 -0.01 0.02 -0.01 -0.01 -0.01 -0.03 0.09 -0.30 0.25 0.00 0.01 -0.00 -0.05 -0.04 0.08 0.18 0.04 0.15 0.05 -0.05 -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 -0.03 -0.01 -0.03 0.00 -0.01 0.00 0.14 -0.10 -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 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.02 0.07 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.18 0.06 -0.12 0.00 0.02 0.03 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.17 0.11 0.18 -0.00 0.00 -0.00 0.02 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.02 0.01 0.01 0.01 0.03 -0.08 0.26 -0.22 0.00 0.02 -0.02 -0.21 -0.15 0.35 0.46 0.12 0.39 0.17 -0.17 -0.08 -0.01 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.04 0.11 -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 0.01 -0.00 -0.01 -0.03 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.02 -0.02 0.00 -0.01 -0.00 -0.01 -0.01 0.07 -0.04 0.10 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.11 -0.04 0.07 -0.00 -0.01 -0.02 0.02 -0.03 -0.03 0.19 0.12 -0.03 -0.54 0.34 0.57 0.01 0.00 0.00 -0.12 -0.03 -0.05 -0.00 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.07 -0.21 0.18 -0.00 -0.01 0.01 0.09 0.06 -0.14 0.05 0.01 0.04 -0.04 0.04 0.02 -0.03 0.01 -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 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -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 0.05 0.02 0.00 -0.00 0.01 0.01 0.07 -0.12 -0.12 0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.05 0.11 -0.10 -0.00 0.01 -0.00 0.00 0.01 -0.02 0.04 -0.10 0.03 -0.00 0.00 -0.00 -0.00 -0.03 0.03 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 0.01 -0.03 0.00 0.00 0.01 -0.05 -0.03 0.01 0.74 0.56 -0.05 0.08 -0.08 -0.11 -0.00 -0.00 -0.00 0.04 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.04 -0.04 0.00 0.01 -0.01 -0.07 -0.05 0.11 -0.06 -0.01 -0.05 0.04 -0.04 -0.02 -0.02 0.01 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.02 0.00 0.01 -0.00 0.11 -0.07 -0.21 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 0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.02 0.01 -0.03 0.01 0.00 -0.01 0.00 -0.17 0.46 -0.12 -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 -0.01 0.00 -0.01 0.15 -0.05 0.10 -0.00 -0.02 -0.03 -0.02 -0.00 0.01 0.11 0.09 -0.01 0.12 -0.08 -0.13 -0.00 0.00 -0.00 0.04 0.01 0.02 0.01 -0.02 -0.00 0.00 -0.01 0.01 0.01 0.00 0.01 -0.04 0.14 -0.12 -0.01 -0.02 0.02 0.27 0.20 -0.44 0.32 0.08 0.27 -0.16 0.16 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 -0.01 -0.00 -0.01 0.00 -0.02 0.01 -0.17 0.12 0.33 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 0.02 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.03 0.02 -0.00 -0.02 -0.13 -0.04 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 -0.02 -0.01 0.03 -0.03 -0.00 0.01 -0.00 0.00 0.01 -0.02 0.07 -0.20 0.05 -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 -0.03 0.01 -0.02 0.55 -0.19 0.36 -0.02 -0.03 -0.06 -0.00 0.00 0.00 -0.02 -0.01 0.00 0.04 -0.03 -0.05 -0.00 -0.00 -0.00 0.05 0.01 0.02 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 0.02 -0.04 0.14 -0.11 -0.02 0.02 0.01 0.01 0.02 -0.03 0.18 0.05 0.14 0.31 -0.31 -0.13 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.25 0.17 0.48 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.02 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.02 0.02 -0.01 -0.03 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.03 -0.02 -0.01 0.03 -0.02 0.01 -0.03 0.01 0.00 -0.01 0.02 -0.16 0.44 -0.11 -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 0.04 -0.01 0.02 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.02 -0.01 -0.02 -0.01 0.01 -0.00 0.01 0.00 0.00 0.08 -0.11 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 -0.03 0.10 -0.08 0.03 -0.01 -0.03 -0.24 -0.18 0.39 0.07 0.02 0.05 -0.25 0.26 0.10 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.02 0.06 -0.00 -0.00 0.00 0.04 0.05 -0.00 0.00 0.00 -0.00 -0.01 -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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.20 -0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.03 -0.05 -0.01 0.15 0.02 0.05 -0.56 0.76 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.03 -0.02 0.04 0.03 0.01 0.02 -0.08 0.08 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 0.23 -0.15 -0.43 -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 -0.01 -0.00 -0.00 -0.00 0.03 0.01 0.03 -0.01 0.01 0.03 -0.07 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.05 -0.15 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 0.00 -0.00 0.00 0.00 0.00 -0.03 0.01 -0.02 0.48 -0.16 0.31 -0.02 -0.03 -0.05 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.03 -0.01 -0.01 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.06 0.05 0.03 -0.01 -0.03 -0.17 -0.14 0.29 -0.07 -0.02 -0.05 -0.30 0.30 0.12 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.01 0.00 -0.02 0.01 0.10 -0.06 -0.19 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.02 -0.00 0.00 0.01 -0.05 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.02 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.04 0.13 0.08 0.04 -0.10 0.09 0.01 -0.03 0.01 0.01 -0.01 -0.01 -0.19 0.52 -0.13 -0.00 0.02 -0.02 -0.01 -0.29 0.25 0.03 0.01 -0.01 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.12 -0.04 0.08 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.06 -0.02 -0.02 -0.04 0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.05 0.04 -0.02 0.02 0.00 -0.10 -0.05 0.15 -0.25 -0.06 -0.21 0.34 -0.32 -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 -0.00 -0.00 0.00 0.01 0.00 0.01 0.00 -0.01 0.01 0.06 -0.04 -0.12 -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 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.01 0.06 0.02 0.01 -0.00 0.00 0.00 0.03 -0.06 -0.05 -0.02 0.01 -0.01 -0.00 0.00 0.02 0.07 -0.22 -0.13 -0.06 0.16 -0.14 0.01 -0.02 0.00 0.00 -0.01 -0.01 -0.09 0.25 -0.06 0.00 -0.04 0.03 0.03 0.61 -0.53 -0.06 -0.03 0.03 0.00 -0.00 -0.00 -0.08 0.00 -0.00 0.01 0.03 -0.00 -0.00 0.00 -0.00 0.05 -0.02 0.03 -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 -0.03 -0.01 -0.01 -0.02 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.03 0.02 -0.01 0.01 0.00 -0.05 -0.02 0.07 -0.13 -0.03 -0.11 0.17 -0.16 -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 0.02 -0.02 -0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.13 0.04 0.01 0.00 -0.01 -0.01 -0.06 0.09 0.10 -0.01 0.00 -0.01 0.01 -0.02 0.04 0.09 -0.29 -0.16 -0.24 0.59 -0.54 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.01 -0.01 -0.26 0.23 0.02 0.01 -0.01 -0.00 0.00 0.00 0.08 -0.01 -0.00 -0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.10 -0.08 0.01 -0.00 0.01 0.01 0.00 0.00 0.00 -0.03 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -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 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.02 -0.02 -0.00 -0.00 0.01 0.02 0.01 -0.09 -0.01 0.04 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.08 0.05 0.08 -0.06 -0.01 -0.02 0.87 0.27 0.31 0.07 -0.14 -0.01 -0.00 0.01 -0.01 0.01 0.02 0.01 0.03 -0.11 0.09 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.03 -0.01 -0.03 0.02 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.02 0.03 -0.01 0.00 -0.01 0.02 -0.06 -0.01 -0.21 0.70 0.46 -0.11 0.28 -0.29 -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 0.12 -0.10 -0.02 -0.01 0.01 0.01 -0.00 -0.00 -0.19 0.01 0.00 0.02 0.06 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.04 0.14 0.09 -0.01 0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.11 -0.09 -0.04 -0.01 0.01 -0.05 0.01 0.00 0.95 -0.03 0.00 -0.09 -0.18 -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 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.19 -0.16 -0.00 0.00 0.00 0.02 0.02 -0.01 -0.36 -0.38 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.08 -0.00 0.12 0.00 -0.00 0.00 -0.03 -0.02 -0.03 0.53 0.13 0.57 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.05 -0.05 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.14 -0.12 -0.00 0.00 0.01 -0.02 -0.04 0.01 0.53 0.58 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.15 0.01 -0.23 -0.00 -0.00 0.00 -0.02 -0.01 -0.02 0.34 0.08 0.37 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.00 -0.01 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.03 -0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.01 0.03 -0.03 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -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 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.02 0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.06 -0.01 0.02 -0.03 0.06 -0.05 0.95 0.14 -0.24 -0.00 0.00 -0.00 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.06 0.02 -0.02 0.00 -0.04 -0.05 0.91 -0.25 0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -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 0.01 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 0.06 -0.05 -0.00 0.00 0.00 -0.04 -0.01 -0.05 0.19 0.23 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.47 -0.09 0.82 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.04 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 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 0.00 -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 -0.03 -0.01 -0.01 -0.00 0.00 0.00 -0.02 -0.02 -0.06 0.26 0.41 0.87 0.01 -0.06 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.05 0.07 -0.04 0.03 0.05 0.59 0.80 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.39 0.30 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.00 -0.00 0.00 -0.01 0.02 -0.03 0.11 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.03 -0.05 -0.01 0.17 -0.03 -0.00 0.29 0.78 0.10 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.64 -0.50 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.05 -0.00 -0.00 0.00 0.01 -0.04 0.04 -0.18 -0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.02 -0.03 -0.00 0.10 -0.02 -0.00 0.17 0.47 0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 5 9 9 9 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 11.00931 18.99840 18.99840 18.99840 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 338.16299 0.99981 0.01307 0.01454 -0.01207 0.99768 -0.06696 -0.01538 0.06677 0.99765 asymmetric 1 0.01196 0.00899 0.00811 0.24921 0.18722 0.16899 1012139.4 39.87 42.90 57.10 66.96 70.13 78.36 86.04 92.07 94.57 100.95 105.86 106.96 112.98 123.42 128.38 137.43 147.36 162.38 166.03 168.02 210.70 215.05 218.17 227.32 235.74 256.83 275.08 279.74 284.46 295.53 300.63 305.71 317.49 319.89 324.49 330.11 340.81 347.52 360.78 367.72 371.46 378.43 399.67 423.37 446.52 450.31 454.57 456.73 478.64 484.23 489.94 512.92 535.75 603.03 617.41 622.84 642.62 657.84 660.78 666.91 725.52 734.75 752.74 759.52 805.61 819.54 828.29 833.24 885.20 903.45 923.12 937.94 965.44 988.34 1010.57 1032.09 1059.49 1068.03 1076.98 1087.74 1099.16 1118.48 1143.83 1190.41 1216.89 1250.67 1268.60 1274.49 1301.36 1360.95 1375.83 1420.57 1524.22 1534.66 1794.11 1944.00 2301.71 2302.55 2311.15 2314.76 2329.59 2347.49 2348.56 2366.02 2371.29 2378.02 2385.10 2401.63 2407.50 2527.31 2541.36 3434.65 3611.37 3994.53 4718.29 4749.96 4791.59 4802.80 4859.08 4912.59 4927.82 4933.42 4966.31 4998.21 5014.25 5032.18 5054.09 5054.99 5079.32 5101.77 5131.74 5251.30 5327.78 5351.82 5402.67 5503.46 5503.84 5505.83 5508.61 5517.37 5517.77 0.385504 0.426293 0.427237 0.313279 -1471.559713 -1471.518923 -1471.517979 -1471.631937 267.503 140.509 239.844 0.000 0.000 0.000 0.889 2.981 43.350 0.889 2.981 34.965 265.725 134.548 161.529 1 0.593 1.984 5.987 2 0.594 1.984 5.841 3 0.594 1.981 5.275 4 0.595 1.979 4.959 5 0.595 1.978 4.868 6 0.596 1.976 4.648 7 0.597 1.973 4.464 8 0.597 1.971 4.330 9 0.597 1.971 4.277 10 0.598 1.968 4.149 11 0.599 1.966 4.055 12 0.599 1.966 4.035 13 0.600 1.964 3.927 14 0.601 1.959 3.754 15 0.602 1.957 3.677 16 0.603 1.952 3.544 17 0.604 1.947 3.408 18 0.607 1.939 3.219 19 0.608 1.937 3.176 20 0.608 1.935 3.153 21 0.617 1.907 2.718 22 0.618 1.903 2.679 23 0.619 1.901 2.652 24 0.621 1.894 2.574 25 0.623 1.887 2.505 26 0.629 1.869 2.344 27 0.634 1.852 2.216 28 0.635 1.848 2.185 29 0.637 1.843 2.154 30 0.640 1.832 2.084 31 0.642 1.827 2.053 32 0.644 1.822 2.022 33 0.647 1.810 1.954 34 0.648 1.807 1.940 35 0.650 1.802 1.914 36 0.652 1.796 1.883 37 0.656 1.784 1.826 38 0.658 1.777 1.792 39 0.663 1.761 1.725 40 0.666 1.753 1.692 41 0.667 1.749 1.674 42 0.670 1.741 1.642 43 0.679 1.715 1.547 44 0.689 1.684 1.449 45 0.699 1.654 1.360 46 0.701 1.649 1.347 47 0.703 1.643 1.331 48 0.704 1.640 1.323 49 0.715 1.610 1.247 50 0.717 1.602 1.228 51 0.720 1.595 1.210 52 0.732 1.562 1.137 53 0.744 1.529 1.070 54 0.782 1.429 0.895 55 0.790 1.407 0.862 56 0.794 1.399 0.849 57 0.806 1.368 0.806 58 0.815 1.345 0.774 59 0.817 1.340 0.768 60 0.821 1.331 0.756 61 0.860 1.241 0.648 62 0.866 1.226 0.632 63 0.878 1.199 0.603 64 0.883 1.188 0.592 65 0.916 1.118 0.524 66 0.926 1.097 0.505 67 0.932 1.084 0.493 68 0.936 1.076 0.487 69 0.975 1.000 0.424 0.166256e+34 33.220777 76.493666 0.695912e+18 17.842554 41.083999 0.100000e+01 0.000000 0.000000 0.244424e+09 8.388143 19.314413 0.977417e+07 6.990080 16.095254 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.4212 -4.6416 2.3976 7.5287 -127.0786 -141.9469 -132.5056 -10.2139 22.3539 -1.0581 6.7651 -8.1032 1.3381 -10.2139 22.3539 -1.0581 -115.1816 -191.0849 36.5970 -58.9020 -50.5543 2.3568 8.5282 21.9915 14.8969 -1.5358 -4119.9218 -2763.6841 -1812.1969 -238.1404 407.6416 36.1318 26.1920 131.6113 49.0511 -1073.8640 -1278.9826 -922.4376 -20.5747 91.8627 -110.0866 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.9452163 6.625E-9 2.209E-5 0.3855036 0.4262929 -1471.5189234 -1471.5179792 -1471.6319369 17.5433922,-4.7878629,-12.7555293,3.6026606,9.922957,2.7644441 C01 [X(B1F3H30O15)] -0.3437418 0.4864523 2.9015136 2.2314642 -0.0450966 0.0245747 -0.0434944 2.4802608 0.0588978 0.0653561 0.1288318 2.3792561 -0.889765 0.1513434 -0.3427671 0.1389037 -0.8031124 0.1856266 -0.3441718 0.1794912 -1.2277393 -1.2119335 -0.2803357 -0.1656579 -0.2669215 -0.7990806 -0.0316522 -0.1304874 -0.0538198 -0.664794 -0.8232818 0.1181854 0.264694 0.1051802 -0.6724318 -0.1397182 0.2429831 -0.1631202 -1.2945537 -1.274262 -0.0554608 0.060044 -0.0728108 -1.712673 -0.0685279 0.0068546 -0.0337159 -1.1207645 0.3888574 -0.0099873 0.0259777 0.0220021 0.3912004 -0.0663353 0.0609194 -0.0553249 0.339129 0.3796214 0.0079193 -0.057921 0.0114183 0.6682951 -0.3216472 -0.0671725 -0.3573103 0.6843738 -0.8019936 0.1660493 -0.1059085 0.161852 -0.954031 -0.0039021 -0.0995019 -0.0030935 -0.8147395 0.3558602 0.0087651 0.0365363 -0.0152032 0.4603558 0.1052376 0.0195451 0.0517215 0.5923367 -1.4727612 0.0016995 -0.0969623 0.02005 -0.8691338 -0.1393505 -0.0914545 -0.1599589 -1.4159429 0.5713834 -0.085509 0.5057723 -0.0892637 0.4322992 -0.2051985 0.5184121 -0.1977354 1.4768256 0.3310759 -0.0370059 0.0274594 -0.0143058 0.4088102 -0.0161435 0.0642341 -0.0049762 0.3948643 0.6411462 -0.3445323 -0.4123289 -0.3512603 0.8188883 0.4481729 -0.4167801 0.4529541 0.8653697 -0.9163327 0.0872801 -0.1023474 0.0858335 -0.9817603 0.1851476 -0.1044684 0.1654366 -0.7016298 0.6358808 0.0477393 0.1108964 0.0562408 0.3954733 -0.0276249 0.069863 -0.0514818 0.3863795 -1.1889265 0.0828072 -0.0235137 0.1221724 -1.0642796 -0.0703542 -0.0417226 -0.0949438 -1.429834 0.5311178 0.0590863 0.3092744 0.0416923 0.3772663 0.0951517 0.3375982 0.1516604 1.037548 -0.89581 0.1618077 0.141444 0.1868262 -1.1052518 0.0005943 0.1218431 0.0135787 -1.0965569 0.4222666 -0.2351223 0.0153264 -0.2131137 1.014214 -0.1640908 0.0185121 -0.1971114 0.4451855 0.3344852 -0.0168687 -0.0419477 -0.0667537 0.3610662 -0.0392153 -0.0304554 -0.0062815 0.3928185 -1.0648938 0.0941737 -0.1085649 0.1023432 -0.9566845 -0.0913057 -0.1111576 -0.0847289 -1.1761473 0.4012025 -0.1702844 0.0396591 -0.1177975 0.795326 -0.0517419 0.0275194 -0.0461686 0.4321413 0.7979985 -0.0377756 -0.1820975 -0.0855519 0.363966 0.0324048 -0.1673608 0.0144428 0.4987399 -1.1756415 -0.0016163 -0.0208229 0.0195219 -0.9261273 0.1347694 -0.0380772 0.1298459 -1.3572459 0.6146023 0.2887923 -0.2476435 0.2416117 0.6355819 -0.2111288 -0.2150104 -0.2315626 0.6145905 0.7581085 -0.2742565 -0.1081677 -0.2315169 0.5475959 0.1237452 -0.1219499 0.1429176 0.4192132 -0.9112604 0.0627046 0.1277525 0.0696348 -1.11227 0.0358088 0.1107125 0.0475252 -0.9015481 0.7286269 -0.0233604 -0.2290452 -0.0261274 0.4127032 0.0386595 -0.2724053 0.0540497 0.5259019 0.4381463 0.0128546 0.0304297 -0.0227346 0.4118947 -0.0243068 0.0906226 -0.0291809 0.4810903 -0.9560625 -0.0367185 0.0526105 -0.033509 -0.856529 0.0609108 0.0683566 0.0589079 -0.9588666 0.4316297 0.0419865 0.1342651 0.0537593 0.3404319 -0.0238371 0.1135252 -0.023907 0.7342793 0.3775203 0.0781553 0.011001 0.0549176 0.3352947 -0.0267876 -0.0218991 0.0079563 0.4076662 -1.0859277 -0.1459748 0.0485527 -0.1249686 -0.6726046 0.0517465 0.0414732 0.0351915 -1.0894847 0.953846 0.1160277 0.1099654 0.1471158 0.3576123 0.0489177 0.1121459 0.0402943 0.43976 0.3912698 0.0511764 -0.0260666 -0.0003468 0.2848506 0.0109661 -0.0200839 0.0310662 0.4161464 -1.3021945 -0.1439939 -0.1070286 -0.1416236 -0.9907273 0.0723375 -0.1137925 0.0481664 -1.1524064 0.4023788 0.0218495 0.0564839 0.008398 0.4413816 0.1946686 0.0606024 0.2453787 0.9370613 0.4516296 -0.1337366 0.075186 -0.1381874 0.7542255 -0.3040448 0.0746804 -0.3305294 0.5872335 -1.146462 -0.0330228 -0.0201195 -0.0474153 -1.0125171 0.1566035 0.0044612 0.1461068 -1.0786469 0.5065479 0.0991623 0.1944791 0.0675867 0.3856454 0.0920168 0.1677918 0.11066 0.7600222 0.7036238 -0.2864485 0.0200447 -0.2422096 0.6073207 -0.0591986 0.0324252 -0.075945 0.3934558 -1.1473176 0.089508 -0.0339785 0.06699 -0.820362 0.0997125 -0.0371591 0.0920488 -1.1021282 0.4025204 0.0346438 0.0067264 -0.0161553 0.3036539 -0.0254887 -0.0088991 -0.0426482 0.4044568 1.0305563 -0.1171929 -0.218156 -0.0776206 0.3355656 0.0065722 -0.202953 0.0170399 0.4730321 -1.160323 -0.0079831 -0.0484504 0.0106806 -1.2554817 0.0734953 -0.0712682 0.1070986 -1.1100872 0.3980993 0.1141385 -0.1317095 0.1268025 0.4706242 -0.2279597 -0.1501452 -0.2117997 0.8857477 0.7599769 0.2872459 0.1801283 0.3118903 0.5780476 0.1315508 0.2019738 0.1226409 0.5136985 0.4775708 -0.1813755 0.1099343 -0.207377 0.8441002 -0.1350598 0.1557714 -0.1628698 0.4294486 1.5761357 0.418557 0.1119868 0.4128447 0.5511065 0.030906 0.0901936 0.023202 0.3453436 189.7329669|-2.0494217|180.7074465|2.9383037|-0.9074402|188.6246523 -0.000066105 0.000038115 -0.000000633 0.000019791 -0.000026626 0.000045288 0.000020327 0.000006707 0.000015459 0.000034986 -0.000003285 -0.000045131 -0.000023054 -0.000060148 -0.000033457 0.000009916 -0.000009775 0.000006066 0.000008229 -0.000037738 0.000024900 -0.000009926 0.000015994 0.000016381 -0.000001282 0.000005202 0.000002967 -0.000005434 -0.000002302 -0.000015789 0.000003317 -0.000013787 0.000007125 -0.000004410 -0.000005387 -0.000009418 -0.000012795 0.000014666 -0.000012292 0.000033500 0.000017026 0.000017073 -0.000032399 -0.000009361 -0.000013948 0.000001945 0.000041584 0.000004396 0.000019318 0.000011631 0.000006484 -0.000001046 0.000011803 0.000005550 0.000004599 0.000006059 0.000015300 0.000000946 -0.000004935 -0.000011240 -0.000041566 0.000009467 -0.000023800 0.000076644 -0.000021703 0.000020330 -0.000011314 -0.000005040 0.000000300 -0.000016617 0.000001151 -0.000010597 -0.000008482 -0.000003057 0.000011069 0.000000028 0.000009446 -0.000003924 0.000009489 -0.000028984 -0.000001015 0.000009972 -0.000002982 -0.000015715 0.000001671 0.000006708 -0.000004436 -0.000082440 0.000005981 -0.000013716 0.000044915 0.000005420 0.000022204 0.000016863 -0.000008838 -0.000004129 0.000003879 0.000003514 0.000026567 -0.000013126 -0.000011470 -0.000027552 -0.000003632 0.000000930 0.000003751 -0.000020661 0.000030942 0.000003223 0.000006036 -0.000017029 -0.000040344 0.000016080 -0.000043697 0.000016630 -0.000005652 0.000025799 0.000021596 -0.000020765 -0.000019971 -0.000027331 0.000011744 -0.000027998 -0.000010177 0.000028932 0.000051902 0.000006543 0.000001348 -0.000011535 -0.000005539 -0.000032023 0.000000126 -0.000000088 -0.000002006 0.000017942 0.000030557 0.000020338 0.000016807 -0.000033239 0.000026111 0.000029140 0.000025643 -0.000023506 -0.000000434 0.000003941 0.000007317 -0.000007983 0.000004167 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4733,1.8629,-.1797;-1.1503,2.462,-1.3032;.7667,2.5292,-.0148;-1.2785,2.1295,.9754;-.2444,.4648,-.3755;-4.4094,1.639,-1.6647;-.4575,-.6461,1.0461;-.8266,1.1413,-3.8698;-.8281,1.6006,-3.0146;.6386,-3.0899,.0356;.2556,-2.8958,-.9059;-1.6927,.7147,-3.9058;.126,-2.4976,.6899;-3.6521,1.4602,-2.2364;-2.9217,1.9735,-1.8546;-.63,-1.4579,1.5725;-.2132,-1.3111,2.4584;3.0884,-1.0027,2.6497;2.9696,-.0522,2.4025;3.9149,-1.0445,3.147;.5888,-.9251,3.9406;.4043,.0337,3.8931;1.5082,-1.0141,3.6175;-.3849,-2.6017,-2.2499;.2058,-2.0271,-2.7943;-1.1564,-2.0291,-2.0486;2.5234,1.5931,2.0721;1.7286,1.7219,2.6305;2.193,1.7616,1.1767;.0738,1.7836,3.4165;-.4921,1.937,2.6389;-.1255,2.496,4.0366;-3.309,-1.7583,1.006;-2.3876,-1.7198,1.3434;-3.5376,-2.696,.9976;3.0101,-2.1626,.145;3.1071,-1.8202,1.0627;2.881,-1.3526,-.4003;1.1486,-.8438,-3.7146;1.6937,-.515,-2.9719;.4593,-.1538,-3.8185;2.2882,.0244,-1.3235;2.7661,.8581,-1.2298;1.3832,.1981,-.9703;-2.4047,-.9037,-1.4697;-2.8314,-1.2054,-.6379;-.9883,.0117,-.8339;-2.9346,-.1469,-1.7982;1.6167,-2.7566,.0652; Gaussian 16 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4733,1.8629,-.1797;-1.1503,2.462,-1.3032;.7667,2.5292,-.0148;-1.2785,2.1295,.9754;-.2444,.4648,-.3755;-4.4094,1.639,-1.6647;-.4575,-.6461,1.0461;-.8266,1.1413,-3.8698;-.8281,1.6006,-3.0146;.6386,-3.0899,.0356;.2556,-2.8958,-.9059;-1.6927,.7147,-3.9058;.126,-2.4976,.6899;-3.6521,1.4602,-2.2364;-2.9217,1.9735,-1.8546;-.63,-1.4579,1.5725;-.2132,-1.3111,2.4584;3.0884,-1.0027,2.6497;2.9696,-.0522,2.4025;3.9149,-1.0445,3.147;.5888,-.9251,3.9406;.4043,.0337,3.8931;1.5082,-1.0141,3.6175;-.3849,-2.6017,-2.2499;.2058,-2.0271,-2.7943;-1.1564,-2.0291,-2.0486;2.5234,1.5931,2.0721;1.7286,1.7219,2.6305;2.193,1.7616,1.1767;.0738,1.7836,3.4165;-.4921,1.937,2.6389;-.1255,2.496,4.0366;-3.309,-1.7583,1.006;-2.3876,-1.7198,1.3434;-3.5376,-2.696,.9976;3.0101,-2.1626,.145;3.1071,-1.8202,1.0627;2.881,-1.3526,-.4003;1.1486,-.8438,-3.7146;1.6937,-.515,-2.9719;.4593,-.1538,-3.8185;2.2882,.0244,-1.3235;2.7661,.8581,-1.2298;1.3832,.1981,-.9703;-2.4047,-.9037,-1.4697;-2.8314,-1.2054,-.6379;-.9883,.0117,-.8339;-2.9346,-.1469,-1.7982;1.6167,-2.7566,.0652; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF40/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 15-agua-BF3/ CONF40 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 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 11.0093053 18.9984033 18.9984033 18.9984033 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 3 1 1 1 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 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 91 91 2142.5889052745 49 49 49 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) -0.0609311844 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.442031 0.000000 1.417305 2.310673 0.000000 1.433041 2.306251 2.307151 0.000000 1.430187 2.381197 2.326844 2.380255 0.000000 4.212855 3.380809 5.505132 4.124704 4.515306 0.000000 2.792412 3.957165 3.564571 2.895313 1.816688 5.309215 0.000000 3.776570 2.904641 4.396129 4.965561 3.606440 4.236413 5.243720 0.000000 2.869065 1.942938 3.522028 4.050040 2.931817 3.827476 4.655549 0.970735 0.000000 5.080641 5.984694 5.620771 5.639222 3.685733 7.122976 2.862671 5.941522 5.784116 0.000000 4.868601 5.553389 5.521344 5.580840 3.438673 6.549977 3.062633 5.123786 5.083132 1.034820 0.000000 4.085228 3.181384 4.947814 5.098948 3.823948 3.641120 5.281881 0.966142 1.525297 5.953508 5.082329 0.000000 4.486568 5.495396 5.116223 4.843978 3.169892 6.574648 1.973686 5.911012 5.606198 1.020701 1.649870 5.894661 0.000000 3.807462 2.851959 5.060029 4.049367 4.008220 0.965566 5.041458 3.279266 2.932644 6.653986 6.001179 2.679963 6.204939 0.000000 2.968514 1.918484 4.159058 3.276155 3.410535 1.536632 4.620446 3.023809 2.422377 6.472034 5.891094 2.702359 5.979474 0.970975 0.000000 3.757931 4.889352 4.512933 3.694081 2.764075 5.861276 0.982800 6.034316 5.516820 2.575873 2.999054 5.988416 1.559317 5.670612 5.363910 0.000000 4.135401 5.409649 4.671687 3.895138 3.344565 6.581185 1.580099 6.814460 6.229806 3.124071 3.748269 6.840759 2.156454 6.445726 6.060290 0.989989 0.000000 5.376126 6.752468 4.996378 5.628823 4.734263 9.044888 3.907959 7.901100 7.362113 4.146275 4.924551 8.293522 3.853771 8.681810 8.078849 3.897930 3.321468 0.000000 4.710525 6.084969 4.166485 4.984283 4.279575 8.593751 3.733320 7.428108 6.819051 4.501485 5.137834 7.881581 4.123010 8.225181 7.545462 3.952454 3.423203 0.989251 0.000000 6.227042 7.599714 5.716578 6.462308 5.655609 9.982365 4.867249 8.746094 8.213281 4.959646 5.765718 9.180467 4.743865 9.618380 8.992396 4.827565 4.193561 0.965446 1.559646 0.000000 5.087039 6.480310 5.254422 4.648651 4.610359 7.935779 3.090484 8.202203 7.534086 4.465245 5.242484 8.334294 3.640612 7.863212 7.369547 2.716104 1.728910 2.814366 2.965881 3.421557 0.000000 4.550155 5.942631 4.650850 3.967024 4.339150 7.525839 3.051320 7.937562 7.189650 4.969171 5.624479 8.104582 4.092128 7.487317 6.918193 2.946141 2.061125 3.134438 2.968258 3.747479 0.977553 0.000000 5.159681 6.585154 5.128181 4.962738 4.604720 8.364174 3.257587 8.133696 7.502037 4.230329 5.056826 8.356723 3.561223 8.186519 7.648147 2.991806 2.096418 1.853062 2.130118 2.452421 0.978605 1.546763 0.000000 4.921986 5.208010 5.713806 5.795274 3.596692 5.875642 3.833176 4.102275 4.294219 2.551374 1.517572 3.930692 2.985742 5.212835 5.246365 3.997435 4.885036 6.215054 6.276725 7.073833 6.487073 6.730920 6.366432 0.000000 4.735942 4.920827 5.366537 5.804381 3.501781 6.001391 4.134690 3.501530 3.778548 3.053744 2.079231 3.515203 3.516804 5.230263 5.164221 4.482388 5.317840 6.244691 6.208491 7.072594 6.835258 7.000590 6.620754 0.987646 0.000000 4.371157 4.552597 5.349081 5.143285 3.138522 4.917812 3.460951 3.671098 3.770393 2.948087 2.012566 3.356362 3.059989 4.294061 4.378943 3.703494 4.660293 6.414513 6.383125 7.326745 6.335253 6.480362 6.343148 0.981645 1.552983 0.000000 3.758207 5.063990 2.884037 3.993180 3.863320 7.875951 3.866860 6.836164 6.091630 5.443382 5.844795 7.367683 4.938837 7.531157 6.724099 4.416101 4.009085 2.718579 1.736421 3.169918 3.684506 3.199788 3.196300 6.688376 6.493002 6.606201 0.000000 3.572925 4.930507 2.928262 3.456657 3.809154 7.492086 3.591208 7.008596 6.198335 5.574503 5.999902 7.446025 4.913089 7.259992 6.465690 4.097935 3.605447 3.045075 2.177035 3.563623 3.165766 2.489564 2.916881 6.854108 6.767752 6.654883 0.979887 0.000000 2.993195 4.221098 2.010729 3.496733 3.167368 7.188894 3.583185 5.913500 5.169134 5.220701 5.457305 6.482747 4.759284 6.775319 5.949246 4.300121 4.107847 3.257763 2.322883 3.836879 4.175118 3.682989 3.759177 6.117641 5.837119 5.999222 0.969247 1.526737 0.000000 3.638450 4.922805 3.579045 2.812038 4.027445 6.777849 3.435809 7.369788 6.496656 5.958274 6.372832 7.607856 5.076013 6.778086 6.065796 3.795118 3.252350 4.175997 3.575496 4.777509 2.806606 1.843516 3.150389 7.179822 7.287879 6.776272 2.800766 1.832991 3.083525 0.000000 2.819644 4.030980 2.996186 1.850090 3.363913 5.827134 3.034957 6.565720 5.673508 5.772893 6.039942 6.765280 4.883319 5.829381 5.108428 3.561139 3.265124 4.632700 3.999567 5.345015 3.324853 2.449333 3.697032 6.671765 6.761759 6.176134 3.087558 2.231114 3.062436 0.973888 0.000000 4.277713 5.437299 4.148549 3.291622 4.858707 7.182711 4.350448 8.052201 7.142482 6.913379 7.324276 8.289202 6.016636 7.270504 6.542009 4.686106 4.122239 4.949075 4.329385 5.445308 3.496225 2.522760 3.894287 8.097799 8.199360 7.653059 3.419243 2.452333 3.754147 0.965277 1.549303 0.000000 4.749680 5.272858 6.002922 4.386176 4.030132 4.459309 3.060964 6.192168 5.796721 4.277646 4.201766 5.731789 3.527764 4.581385 4.717981 2.754660 3.448681 6.648230 6.654446 7.568155 4.949629 5.033401 5.529848 4.456727 5.183434 3.746613 6.810682 6.334662 6.533799 5.458873 4.925141 6.117089 0.000000 4.338157 5.101238 5.463300 4.022720 3.510023 4.941452 2.228590 6.148169 5.696431 3.570141 3.664533 5.827827 2.711121 4.952346 4.914556 1.791755 2.477585 5.675157 5.709862 6.590154 4.029397 4.167789 4.565866 4.207239 4.892965 3.621771 5.968631 5.517693 5.755863 4.757130 4.317842 5.490322 0.981941 0.000000 5.617679 6.131656 6.844933 5.328091 4.766588 5.161414 3.700145 6.765014 6.472976 4.303623 4.248645 6.251344 3.681754 5.267361 5.506212 3.212061 3.886273 7.035607 7.162849 7.930032 5.368786 5.601167 5.928941 4.527118 5.370185 3.923496 7.502401 7.065129 7.262315 6.241779 5.782172 6.916251 0.965144 1.547529 0.000000 5.333301 6.386960 5.203002 6.124019 4.214967 8.530920 3.890472 6.461749 6.235126 2.548655 3.037986 6.841323 2.954198 7.948608 7.502811 3.972960 4.057860 2.761346 3.090543 3.328735 4.669141 5.065803 3.953875 4.177833 4.064735 4.710560 4.249193 4.786340 4.139043 5.907355 5.940696 6.832197 6.390216 5.546836 6.624407 0.000000 5.284679 6.485367 5.055237 5.902623 4.303745 8.712221 3.752994 6.969464 6.619076 2.959806 3.628157 7.358612 3.079760 8.205571 7.697351 3.789034 3.637481 1.785282 2.222514 2.366078 3.927535 4.330516 3.119833 4.876277 4.830829 5.282158 3.606919 4.111491 3.698384 5.265769 5.436472 6.158173 6.416583 5.502781 6.702408 0.984284 0.000000 4.651785 5.622937 4.436988 5.596303 3.615447 7.981112 3.706274 5.657055 5.414152 2.869918 3.087038 6.122089 3.176451 7.346001 6.844624 4.028636 4.212822 3.077036 3.091022 3.707724 4.927562 5.146801 4.259377 3.955630 3.652758 4.413037 3.862333 4.468353 3.557889 5.681891 5.606790 6.598228 6.360612 5.561782 6.704938 0.985002 1.552502 0.000000 4.738412 4.693481 5.021136 6.060323 3.847372 6.423261 5.028170 2.804630 3.220653 4.400988 3.591174 3.246269 4.814631 5.526336 5.288151 5.611938 6.338680 6.655256 6.431274 7.400934 7.676110 7.694262 7.342925 2.754395 1.770799 3.081145 6.427664 6.868767 5.639490 7.675373 7.126876 8.535738 6.556647 6.233408 6.898916 4.483407 5.254674 3.774167 0.000000 4.259969 4.442564 4.344130 5.604393 3.384940 6.602851 4.559530 3.146660 3.292039 4.097367 3.464777 3.721845 4.449485 5.746372 5.361333 5.190437 5.810237 5.812541 5.543119 6.531066 7.012332 7.006639 6.610947 3.032496 2.128791 3.356850 5.529460 6.032622 4.758509 6.979980 6.501711 7.841900 6.511257 6.060620 6.919549 3.763325 4.469816 2.953661 0.978199 0.000000 4.263511 3.969918 4.664874 5.586988 3.568126 5.617586 4.974563 1.825733 2.319819 4.848323 4.005304 2.322238 5.092149 4.691644 4.451236 5.652384 6.417989 7.033483 6.709099 7.826349 7.798407 7.714063 7.558721 3.027324 2.149887 3.042940 6.481617 6.835124 5.623712 7.499802 6.853801 8.310559 6.328414 6.099317 6.755095 5.123561 5.797702 4.357196 0.980839 1.539806 0.000000 3.509221 4.214995 3.209668 4.736878 2.739872 6.897983 3.688245 4.175311 3.880223 3.777147 3.582337 4.795051 3.884526 6.179211 5.587917 4.370311 4.726862 4.181050 3.788501 4.875800 5.612530 5.546380 5.108853 3.860028 3.272335 4.075300 3.747829 4.339223 3.045976 5.519598 5.204717 6.376938 6.319224 5.658421 6.835724 2.731360 3.125172 1.760528 2.787477 1.833510 3.098673 0.000000 3.550549 4.232764 2.875157 4.778957 3.154047 7.231009 4.223042 4.467340 4.081098 4.659901 4.527659 5.202152 4.681572 6.524529 5.829746 4.974991 5.213936 4.314767 3.750147 4.908786 5.886809 5.701115 5.346449 4.789554 4.162614 4.938930 3.391427 4.089591 2.633629 5.449157 5.171762 6.227279 6.982208 6.310965 7.571620 3.327859 3.541948 2.364007 3.418676 2.463854 3.612030 0.965596 0.000000 2.615946 3.413906 2.593654 3.821063 1.753260 6.009387 2.857672 3.765604 3.322076 3.518099 3.293557 4.283102 3.406421 5.343218 4.739854 3.641528 4.072101 4.177784 3.735621 4.990531 5.099974 4.963671 4.746899 3.549951 3.108794 3.545797 3.535871 3.925183 2.776672 4.844810 4.423448 5.711851 5.454269 4.821841 6.038336 3.076293 3.343398 2.229970 2.944815 2.147468 3.014889 0.986942 1.554227 0.000000 3.612241 3.595753 4.894789 4.055516 2.781477 3.243886 3.191719 3.526000 3.338232 4.038186 3.370874 3.010067 3.688998 2.780631 2.948572 3.565364 4.516516 6.866816 6.678467 7.827527 6.183303 6.126111 6.418957 2.751587 3.135424 1.777550 6.562386 6.386692 5.936828 6.102475 5.348741 6.860955 2.770774 2.929162 3.253204 5.788912 6.134521 5.411361 4.203386 4.382301 3.778996 4.786002 5.467973 3.976309 0.000000 3.896758 4.088851 5.223153 4.016927 3.090410 3.411088 2.963769 4.468927 4.187545 4.005716 3.529611 3.957580 3.489808 3.214666 3.405027 3.129827 4.056270 6.774446 6.650215 7.737113 5.721808 5.703964 6.080902 3.245528 3.814394 2.339650 6.621925 6.328127 6.110670 5.814893 5.107353 6.547801 1.798920 2.094537 2.322781 5.970900 6.207671 5.719162 5.043483 5.138186 4.695733 5.309666 5.995050 4.454505 0.982364 0.000000 2.029771 2.500101 3.176220 2.800502 0.984204 3.878500 2.061244 3.243251 2.702909 3.608720 3.163169 3.229059 3.140120 3.340816 2.937472 2.842343 3.631817 5.457445 5.113035 6.403423 5.114785 4.927943 5.205770 3.032980 3.070111 2.380904 4.824710 4.723181 4.150307 4.725871 4.001715 5.535167 3.450180 3.113992 4.145453 4.655392 4.870814 4.125550 3.687331 3.470124 3.321176 3.312883 3.868933 2.382649 1.802347 2.217400 0.000000 3.566051 3.199282 4.903208 3.951914 3.104048 2.320071 3.804619 3.224061 2.995104 4.979134 4.304555 2.593548 4.591690 1.813731 2.121254 4.288548 5.184632 7.536088 7.246686 8.495625 6.778954 6.600926 7.058388 3.568016 3.793287 2.601376 6.913556 6.697143 6.227728 6.322278 5.476964 6.994394 3.255800 3.555681 3.831165 6.571000 6.891033 6.101490 4.564022 4.788991 3.949617 5.247130 5.816468 4.409927 0.980542 1.573975 2.177892 0.000000 5.076150 6.063186 5.354241 5.751878 3.746328 7.656874 3.117445 6.053642 5.869161 1.033725 1.677814 6.226548 1.636955 7.130090 6.830539 3.001026 3.341449 3.452803 3.821896 4.208345 4.407954 4.889660 3.958191 3.064305 3.271010 3.561914 4.875382 5.162352 4.688465 5.850217 5.753350 6.811534 5.113071 4.329347 5.238243 1.516808 2.023154 1.945838 4.261959 3.775503 4.816256 3.180062 4.008037 3.139525 4.686157 4.762929 3.906074 5.567438 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6037,-1.5649,-.9914;1.9724,-1.8486,-1.3459;-.1517,-1.5075,-2.1892;.1375,-2.6823,-.2248;.4786,-.3274,-.2854;4.0034,-2.7188,1.2129;-.6934,-.2458,1.1003;3.7477,.4359,-1.6031;3.0988,-.286,-1.6001;-.7542,2.5654,1.6372;.2548,2.6484,1.4231;4.2148,.3318,-.7638;-.9369,1.5773,1.8162;4.0277,-1.9504,.6287;3.3628,-2.1329,-.055;-1.12,.0337,1.9404;-2.0639,-.2599,1.8865;-4.037,1.0885,-.4202;-3.6605,.4352,-1.0607;-4.913,1.3139,-.7577;-3.686,-.8025,1.6345;-3.4356,-1.584,1.1033;-3.9464,-.1298,.9731;1.7496,2.7073,1.1676;1.9298,2.8218,.2034;2.0814,1.8053,1.3676;-2.9541,-.8602,-1.9761;-2.9521,-1.6044,-1.3388;-2.0152,-.7523,-2.1914;-2.6623,-2.8334,-.01;-1.6898,-2.8853,-.0182;-2.979,-3.7374,-.129;.8128,-.8399,3.698;.0238,-.555,3.1876;.8422,-.2571,4.4667;-2.069,3.0239,-.4974;-2.8376,2.4103,-.4593;-1.458,2.6022,-1.1448;2.2895,2.8305,-1.5305;1.4116,2.5306,-1.8408;2.8389,2.019,-1.5718;-.2132,1.6959,-1.9985;-.4641,1.2775,-2.8318;.024,.9543,-1.392;2.4331,.0859,1.6499;1.9559,-.2762,2.4285;1.2206,-.1622,.3397;3.0849,-.5947,1.379;-1.2892,2.7978,.7838; 0.2492129 0.1872212 0.1689860 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= 598 RedAO= T EigKep= 6.83D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 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= 611 611 611 611 611 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.94521627677 -1471.94521628 1 1.467084494338e+03 -7.767883381664e+03 2.686310278331e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 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. PT477.100S Fri Jul 19 05:25:12 2024 -24.65145 -24.64483 -24.64411 -19.16813 -19.13834 -19.13321 -19.13162 -19.13117 -19.13053 -19.12938 -19.12465 -19.12346 -19.12335 -19.12276 -19.12004 -19.11771 -19.11334 -19.11319 -6.85572 -1.19992 -1.15838 -1.15461 -1.07304 -1.03101 -1.02758 -1.02612 -1.02358 -1.02183 -1.01957 -1.01630 -1.01192 -1.00911 -1.00541 -1.00214 -0.99910 -0.99409 -0.99208 -0.57912 -0.56689 -0.56521 -0.55168 -0.54745 -0.54412 -0.54173 -0.54114 -0.53980 -0.53423 -0.53313 -0.53108 -0.53038 -0.52539 -0.52391 -0.52210 -0.51742 -0.50215 -0.49617 -0.44393 -0.43981 -0.43735 -0.43461 -0.42804 -0.42398 -0.42177 -0.41645 -0.41315 -0.40671 -0.40512 -0.39865 -0.39694 -0.39647 -0.39386 -0.38648 -0.38304 -0.37980 -0.37454 -0.37278 -0.35977 -0.33570 -0.33473 -0.33253 -0.33085 -0.32896 -0.32746 -0.32697 -0.32552 -0.32445 -0.32326 -0.32124 -0.31845 -0.31659 -0.31434 -0.00814 0.01150 0.02006 0.02610 0.04661 0.05439 0.05939 0.06181 0.07068 0.08488 0.09346 0.09527 0.10099 0.10540 0.11014 0.11324 0.11415 0.12230 0.12859 0.13231 0.13963 0.14176 0.14512 0.15045 0.15168 0.15636 0.15678 0.16684 0.16812 0.16949 0.17506 0.17795 0.17996 0.18405 0.18812 0.18988 0.19236 0.19320 0.19849 0.20295 0.20694 0.20814 0.21591 0.21741 0.21882 0.22065 0.22372 0.23374 0.23479 0.23731 0.24097 0.24725 0.25099 0.25282 0.25479 0.25791 0.26447 0.26512 0.26631 0.27150 0.27377 0.27595 0.27691 0.28205 0.28308 0.28478 0.28807 0.28957 0.29299 0.29464 0.29528 0.30241 0.30664 0.31099 0.31418 0.31681 0.31958 0.32389 0.32817 0.32945 0.33975 0.34819 0.35282 0.35887 0.36875 0.37229 0.37425 0.38404 0.38950 0.40299 0.41317 0.42229 0.43056 0.43390 0.44420 0.44974 0.45483 0.47126 0.47255 0.48817 0.49593 0.50069 0.50933 0.51035 0.51408 0.52009 0.52379 0.52795 0.53851 0.53910 0.54636 0.55087 0.55605 0.56492 0.56888 0.57582 0.57748 0.58367 0.58644 0.59042 0.59394 0.59949 0.61546 0.61941 0.62724 0.62951 0.64026 0.64691 0.64818 0.65592 0.66261 0.66501 0.67374 0.67699 0.68668 0.69069 0.69777 0.70077 0.71878 0.73071 0.73523 0.75259 0.78147 0.84393 0.93973 0.95341 0.95789 0.96163 0.97348 0.98023 0.98388 0.99101 0.99404 0.99927 1.00455 1.01355 1.01744 1.02085 1.02675 1.03331 1.03825 1.04116 1.05484 1.05716 1.05989 1.07097 1.07881 1.08115 1.08236 1.08728 1.09097 1.09348 1.10062 1.10733 1.11326 1.11806 1.12106 1.12497 1.13442 1.13636 1.14121 1.14449 1.14857 1.15426 1.17118 1.18027 1.19897 1.20482 1.21682 1.22951 1.23502 1.24090 1.25376 1.26623 1.27699 1.28107 1.29226 1.29865 1.30575 1.31138 1.31577 1.31781 1.32061 1.32736 1.33795 1.34061 1.34826 1.35112 1.36058 1.36713 1.37674 1.38043 1.38929 1.39897 1.40324 1.40719 1.41187 1.41864 1.42692 1.42990 1.43700 1.43974 1.44645 1.45768 1.45892 1.46889 1.48089 1.48501 1.49051 1.49219 1.50426 1.50552 1.51114 1.51886 1.52651 1.53716 1.54514 1.55284 1.55896 1.56940 1.57202 1.57437 1.58100 1.58897 1.60602 1.61623 1.62145 1.62302 1.63106 1.63499 1.64312 1.65500 1.65897 1.67028 1.67601 1.69452 1.70024 1.71620 1.71775 1.72916 1.73644 1.74047 1.74579 1.75279 1.75945 1.76780 1.77414 1.79045 1.79187 1.80664 1.81963 1.82757 1.84283 1.86161 1.87366 1.88916 1.90130 2.02589 2.02862 2.03435 2.03929 2.05653 2.07118 2.08120 2.12386 2.15413 2.16445 2.18370 2.20225 2.21502 2.22588 2.24368 2.27113 2.27191 2.28675 2.29447 2.31632 2.32356 2.32950 2.33370 2.34720 2.35332 2.36930 2.39050 2.40032 2.41389 2.42237 2.43118 2.44553 2.45579 2.49700 2.50644 2.52090 2.56626 2.57164 2.59276 2.59456 2.60219 2.62315 2.63524 2.67507 2.69486 2.71493 2.71796 2.72646 2.72876 2.73688 2.74285 2.75141 2.75937 2.78028 2.78718 2.79890 2.80094 2.80974 2.81871 2.83155 2.83935 2.86280 2.87051 2.88559 2.92655 2.96574 2.98230 3.07460 3.08198 3.08681 3.08978 3.09304 3.09602 3.10006 3.10675 3.11246 3.11276 3.11857 3.12469 3.12844 3.13533 3.13991 3.14640 3.15162 3.15914 3.16086 3.16510 3.17223 3.17252 3.17962 3.18923 3.19360 3.20754 3.21055 3.23669 3.25543 3.29061 3.29791 3.30708 3.31603 3.31896 3.32265 3.33097 3.33558 3.33849 3.34849 3.35200 3.36097 3.36429 3.37002 3.38207 3.52571 3.56954 3.67989 3.69173 3.70236 3.70993 3.71329 3.72544 3.72928 3.73416 3.74401 3.76674 3.76953 3.77888 3.78878 3.80461 3.81028 3.82079 3.84237 3.85145 3.85552 3.88701 3.89708 3.90849 3.91053 3.91514 3.91952 3.92239 3.92388 3.92914 3.93828 3.94640 3.95161 3.95440 3.95586 3.96278 3.97147 3.98563 4.00083 4.02908 4.09870 4.21630 4.23259 4.39045 4.65763 4.66647 4.99155 5.01073 5.01698 5.01933 5.02373 5.02597 5.03762 5.05669 5.06205 5.06725 5.09359 5.10819 5.13325 5.22160 5.24188 5.37857 5.38188 5.39699 5.40418 5.41468 5.42305 5.43373 5.45300 5.46223 5.47915 5.48915 5.49925 5.50903 5.53328 5.62562 5.63921 5.64728 5.65909 5.66428 5.67727 5.68791 5.70125 5.70551 5.72677 5.73208 5.74661 5.75427 5.76412 5.77221 5.79423 6.36640 6.40074 6.42727 6.45670 6.46008 6.48140 6.53058 6.64414 6.70668 14.59084 49.88055 49.88233 49.89347 49.89757 49.91111 49.91569 49.91978 49.93183 49.94171 49.94505 49.95475 49.96217 49.98338 49.98644 50.01186 66.85658 66.86575 66.87656 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F 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 1.119775 -0.452428 -0.466132 -0.433138 -1.110183 0.318953 0.406707 -0.623116 0.324159 -0.657223 0.468755 0.312744 0.471678 -0.646568 0.309766 -0.853261 0.469332 -0.754787 0.410925 0.347802 -0.771601 0.392419 0.384141 -0.777503 0.416011 0.393540 -0.676692 0.374254 0.320223 -0.697026 0.317291 0.353775 -0.735574 0.403471 0.322634 -0.755571 0.394423 0.390940 -0.765135 0.365393 0.381253 -0.702641 0.329409 0.395948 -0.901938 0.434317 0.524010 0.438972 0.487496 -0.00000 -5.4212 -4.6416 2.3976 7.5287 -127.0786 -141.9470 -132.5056 -10.2139 22.3539 -1.0582 6.7651 -8.1032 1.3381 -10.2139 22.3539 -1.0582 -115.1814 -191.0848 36.5968 -58.9020 -50.5543 2.3569 8.5283 21.9914 14.8969 -1.5359 -4119.9233 -2763.6846 -1812.1983 -238.1405 407.6411 36.1318 26.1922 131.6111 49.0510 -1073.8644 -1278.9830 -922.4377 -20.5747 91.8628 -110.0867 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-HORCAJUELO LAMSABHI 19-Jul-2024 0 Wavefunction 15-agua-BF3/CONF40 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.9452163 RMSD=9.428e-09 Dipole=-0.3437415,0.4864512,2.901515 Quadrupole=17.5434199,-4.7879017,-12.7555182,3.602663,9.9229642,2.7644507 PG=C01 [X(B1F3H30O15)] 0 -0.4733484841 1.862865725 -0.1796841858 0 -1.1503195528 2.4620211625 -1.3031505344 0 0.7666506373 2.529167296 -0.0147692388 0 -1.2785308589 2.129473178 0.9753946563 0 -0.2444402164 0.4647681946 -0.3755406831 0 -4.4094356042 1.639026554 -1.6646961132 0 -0.4574997416 -0.6460899052 1.0460626793 0 -0.8265710131 1.1412611775 -3.8698059649 0 -0.8281244341 1.6005948818 -3.0146241049 0 0.6386276088 -3.0899195661 0.0355736869 0 0.2555555094 -2.8957633982 -0.9059211647 0 -1.6926809885 0.714661361 -3.9058001368 0 0.1259594196 -2.4976255309 0.689936346 0 -3.6521284851 1.4601588853 -2.236369001 0 -2.9217220818 1.9735211104 -1.8545867911 0 -0.629985734 -1.4578758871 1.5725102923 0 -0.2131889652 -1.3111366004 2.4584148141 0 3.088387845 -1.0026752832 2.6497048122 0 2.9696232704 -0.0522109903 2.402460221 0 3.9148559316 -1.0445425047 3.146980424 0 0.588762572 -0.9251126801 3.9406393554 0 0.4042634311 0.0336952511 3.8931334394 0 1.5081956207 -1.0140917323 3.6175388284 0 -0.3848756831 -2.6016786635 -2.249940055 0 0.2058023443 -2.0270610631 -2.7943290258 0 -1.1564139435 -2.0291266907 -2.0485959524 0 2.5234365103 1.5930701763 2.0721175128 0 1.7286014194 1.7218604006 2.6305335636 0 2.1929710507 1.761638701 1.1766756158 0 0.0738272336 1.7836086683 3.4165135712 0 -0.4920954923 1.9370414724 2.6389220567 0 -0.1254792358 2.4960336984 4.0365838975 0 -3.308960829 -1.7583227981 1.0059607656 0 -2.3876267991 -1.7197806036 1.3434010666 0 -3.537551951 -2.6959685011 0.9976028617 0 3.0100735806 -2.1626073498 0.1450182629 0 3.107073403 -1.8201869163 1.0627083004 0 2.8809586038 -1.3525727041 -0.4003267557 0 1.1485798726 -0.8438437399 -3.7145981802 0 1.69374457 -0.5150311963 -2.9719327748 0 0.4592614366 -0.1538445394 -3.8184533413 0 2.2882182744 0.024352249 -1.3234709883 0 2.7661201675 0.8581477397 -1.2298172208 0 1.3831620136 0.1980818594 -0.9702769087 0 -2.4046560937 -0.9037369633 -1.4697416872 0 -2.8313712273 -1.205435158 -0.6379180551 0 -0.9882688967 0.0117019886 -0.8339159252 0 -2.9345798548 -0.1469458073 -1.7982390418 0 1.6166789883 -2.7565638495 0.0651739733 Gaussian 16 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4733,1.8629,-.1797;-1.1503,2.462,-1.3032;.7667,2.5292,-.0148;-1.2785,2.1295,.9754;-.2444,.4648,-.3755;-4.4094,1.639,-1.6647;-.4575,-.6461,1.0461;-.8266,1.1413,-3.8698;-.8281,1.6006,-3.0146;.6386,-3.0899,.0356;.2556,-2.8958,-.9059;-1.6927,.7147,-3.9058;.126,-2.4976,.6899;-3.6521,1.4602,-2.2364;-2.9217,1.9735,-1.8546;-.63,-1.4579,1.5725;-.2132,-1.3111,2.4584;3.0884,-1.0027,2.6497;2.9696,-.0522,2.4025;3.9149,-1.0445,3.147;.5888,-.9251,3.9406;.4043,.0337,3.8931;1.5082,-1.0141,3.6175;-.3849,-2.6017,-2.2499;.2058,-2.0271,-2.7943;-1.1564,-2.0291,-2.0486;2.5234,1.5931,2.0721;1.7286,1.7219,2.6305;2.193,1.7616,1.1767;.0738,1.7836,3.4165;-.4921,1.937,2.6389;-.1255,2.496,4.0366;-3.309,-1.7583,1.006;-2.3876,-1.7198,1.3434;-3.5376,-2.696,.9976;3.0101,-2.1626,.145;3.1071,-1.8202,1.0627;2.881,-1.3526,-.4003;1.1486,-.8438,-3.7146;1.6937,-.515,-2.9719;.4593,-.1538,-3.8185;2.2882,.0244,-1.3235;2.7661,.8581,-1.2298;1.3832,.1981,-.9703;-2.4047,-.9037,-1.4697;-2.8314,-1.2054,-.6379;-.9883,.0117,-.8339;-2.9346,-.1469,-1.7982;1.6167,-2.7566,.0652; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF40/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 15-agua-BF3/ CONF40 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 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 11.0093053 18.9984033 18.9984033 18.9984033 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 3 1 1 1 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 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 91 91 2142.5889052745 49 49 49 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) -0.0609311844 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.442031 0.000000 1.417305 2.310673 0.000000 1.433041 2.306251 2.307151 0.000000 1.430187 2.381197 2.326844 2.380255 0.000000 4.212855 3.380809 5.505132 4.124704 4.515306 0.000000 2.792412 3.957165 3.564571 2.895313 1.816688 5.309215 0.000000 3.776570 2.904641 4.396129 4.965561 3.606440 4.236413 5.243720 0.000000 2.869065 1.942938 3.522028 4.050040 2.931817 3.827476 4.655549 0.970735 0.000000 5.080641 5.984694 5.620771 5.639222 3.685733 7.122976 2.862671 5.941522 5.784116 0.000000 4.868601 5.553389 5.521344 5.580840 3.438673 6.549977 3.062633 5.123786 5.083132 1.034820 0.000000 4.085228 3.181384 4.947814 5.098948 3.823948 3.641120 5.281881 0.966142 1.525297 5.953508 5.082329 0.000000 4.486568 5.495396 5.116223 4.843978 3.169892 6.574648 1.973686 5.911012 5.606198 1.020701 1.649870 5.894661 0.000000 3.807462 2.851959 5.060029 4.049367 4.008220 0.965566 5.041458 3.279266 2.932644 6.653986 6.001179 2.679963 6.204939 0.000000 2.968514 1.918484 4.159058 3.276155 3.410535 1.536632 4.620446 3.023809 2.422377 6.472034 5.891094 2.702359 5.979474 0.970975 0.000000 3.757931 4.889352 4.512933 3.694081 2.764075 5.861276 0.982800 6.034316 5.516820 2.575873 2.999054 5.988416 1.559317 5.670612 5.363910 0.000000 4.135401 5.409649 4.671687 3.895138 3.344565 6.581185 1.580099 6.814460 6.229806 3.124071 3.748269 6.840759 2.156454 6.445726 6.060290 0.989989 0.000000 5.376126 6.752468 4.996378 5.628823 4.734263 9.044888 3.907959 7.901100 7.362113 4.146275 4.924551 8.293522 3.853771 8.681810 8.078849 3.897930 3.321468 0.000000 4.710525 6.084969 4.166485 4.984283 4.279575 8.593751 3.733320 7.428108 6.819051 4.501485 5.137834 7.881581 4.123010 8.225181 7.545462 3.952454 3.423203 0.989251 0.000000 6.227042 7.599714 5.716578 6.462308 5.655609 9.982365 4.867249 8.746094 8.213281 4.959646 5.765718 9.180467 4.743865 9.618380 8.992396 4.827565 4.193561 0.965446 1.559646 0.000000 5.087039 6.480310 5.254422 4.648651 4.610359 7.935779 3.090484 8.202203 7.534086 4.465245 5.242484 8.334294 3.640612 7.863212 7.369547 2.716104 1.728910 2.814366 2.965881 3.421557 0.000000 4.550155 5.942631 4.650850 3.967024 4.339150 7.525839 3.051320 7.937562 7.189650 4.969171 5.624479 8.104582 4.092128 7.487317 6.918193 2.946141 2.061125 3.134438 2.968258 3.747479 0.977553 0.000000 5.159681 6.585154 5.128181 4.962738 4.604720 8.364174 3.257587 8.133696 7.502037 4.230329 5.056826 8.356723 3.561223 8.186519 7.648147 2.991806 2.096418 1.853062 2.130118 2.452421 0.978605 1.546763 0.000000 4.921986 5.208010 5.713806 5.795274 3.596692 5.875642 3.833176 4.102275 4.294219 2.551374 1.517572 3.930692 2.985742 5.212835 5.246365 3.997435 4.885036 6.215054 6.276725 7.073833 6.487073 6.730920 6.366432 0.000000 4.735942 4.920827 5.366537 5.804381 3.501781 6.001391 4.134690 3.501530 3.778548 3.053744 2.079231 3.515203 3.516804 5.230263 5.164221 4.482388 5.317840 6.244691 6.208491 7.072594 6.835258 7.000590 6.620754 0.987646 0.000000 4.371157 4.552597 5.349081 5.143285 3.138522 4.917812 3.460951 3.671098 3.770393 2.948087 2.012566 3.356362 3.059989 4.294061 4.378943 3.703494 4.660293 6.414513 6.383125 7.326745 6.335253 6.480362 6.343148 0.981645 1.552983 0.000000 3.758207 5.063990 2.884037 3.993180 3.863320 7.875951 3.866860 6.836164 6.091630 5.443382 5.844795 7.367683 4.938837 7.531157 6.724099 4.416101 4.009085 2.718579 1.736421 3.169918 3.684506 3.199788 3.196300 6.688376 6.493002 6.606201 0.000000 3.572925 4.930507 2.928262 3.456657 3.809154 7.492086 3.591208 7.008596 6.198335 5.574503 5.999902 7.446025 4.913089 7.259992 6.465690 4.097935 3.605447 3.045075 2.177035 3.563623 3.165766 2.489564 2.916881 6.854108 6.767752 6.654883 0.979887 0.000000 2.993195 4.221098 2.010729 3.496733 3.167368 7.188894 3.583185 5.913500 5.169134 5.220701 5.457305 6.482747 4.759284 6.775319 5.949246 4.300121 4.107847 3.257763 2.322883 3.836879 4.175118 3.682989 3.759177 6.117641 5.837119 5.999222 0.969247 1.526737 0.000000 3.638450 4.922805 3.579045 2.812038 4.027445 6.777849 3.435809 7.369788 6.496656 5.958274 6.372832 7.607856 5.076013 6.778086 6.065796 3.795118 3.252350 4.175997 3.575496 4.777509 2.806606 1.843516 3.150389 7.179822 7.287879 6.776272 2.800766 1.832991 3.083525 0.000000 2.819644 4.030980 2.996186 1.850090 3.363913 5.827134 3.034957 6.565720 5.673508 5.772893 6.039942 6.765280 4.883319 5.829381 5.108428 3.561139 3.265124 4.632700 3.999567 5.345015 3.324853 2.449333 3.697032 6.671765 6.761759 6.176134 3.087558 2.231114 3.062436 0.973888 0.000000 4.277713 5.437299 4.148549 3.291622 4.858707 7.182711 4.350448 8.052201 7.142482 6.913379 7.324276 8.289202 6.016636 7.270504 6.542009 4.686106 4.122239 4.949075 4.329385 5.445308 3.496225 2.522760 3.894287 8.097799 8.199360 7.653059 3.419243 2.452333 3.754147 0.965277 1.549303 0.000000 4.749680 5.272858 6.002922 4.386176 4.030132 4.459309 3.060964 6.192168 5.796721 4.277646 4.201766 5.731789 3.527764 4.581385 4.717981 2.754660 3.448681 6.648230 6.654446 7.568155 4.949629 5.033401 5.529848 4.456727 5.183434 3.746613 6.810682 6.334662 6.533799 5.458873 4.925141 6.117089 0.000000 4.338157 5.101238 5.463300 4.022720 3.510023 4.941452 2.228590 6.148169 5.696431 3.570141 3.664533 5.827827 2.711121 4.952346 4.914556 1.791755 2.477585 5.675157 5.709862 6.590154 4.029397 4.167789 4.565866 4.207239 4.892965 3.621771 5.968631 5.517693 5.755863 4.757130 4.317842 5.490322 0.981941 0.000000 5.617679 6.131656 6.844933 5.328091 4.766588 5.161414 3.700145 6.765014 6.472976 4.303623 4.248645 6.251344 3.681754 5.267361 5.506212 3.212061 3.886273 7.035607 7.162849 7.930032 5.368786 5.601167 5.928941 4.527118 5.370185 3.923496 7.502401 7.065129 7.262315 6.241779 5.782172 6.916251 0.965144 1.547529 0.000000 5.333301 6.386960 5.203002 6.124019 4.214967 8.530920 3.890472 6.461749 6.235126 2.548655 3.037986 6.841323 2.954198 7.948608 7.502811 3.972960 4.057860 2.761346 3.090543 3.328735 4.669141 5.065803 3.953875 4.177833 4.064735 4.710560 4.249193 4.786340 4.139043 5.907355 5.940696 6.832197 6.390216 5.546836 6.624407 0.000000 5.284679 6.485367 5.055237 5.902623 4.303745 8.712221 3.752994 6.969464 6.619076 2.959806 3.628157 7.358612 3.079760 8.205571 7.697351 3.789034 3.637481 1.785282 2.222514 2.366078 3.927535 4.330516 3.119833 4.876277 4.830829 5.282158 3.606919 4.111491 3.698384 5.265769 5.436472 6.158173 6.416583 5.502781 6.702408 0.984284 0.000000 4.651785 5.622937 4.436988 5.596303 3.615447 7.981112 3.706274 5.657055 5.414152 2.869918 3.087038 6.122089 3.176451 7.346001 6.844624 4.028636 4.212822 3.077036 3.091022 3.707724 4.927562 5.146801 4.259377 3.955630 3.652758 4.413037 3.862333 4.468353 3.557889 5.681891 5.606790 6.598228 6.360612 5.561782 6.704938 0.985002 1.552502 0.000000 4.738412 4.693481 5.021136 6.060323 3.847372 6.423261 5.028170 2.804630 3.220653 4.400988 3.591174 3.246269 4.814631 5.526336 5.288151 5.611938 6.338680 6.655256 6.431274 7.400934 7.676110 7.694262 7.342925 2.754395 1.770799 3.081145 6.427664 6.868767 5.639490 7.675373 7.126876 8.535738 6.556647 6.233408 6.898916 4.483407 5.254674 3.774167 0.000000 4.259969 4.442564 4.344130 5.604393 3.384940 6.602851 4.559530 3.146660 3.292039 4.097367 3.464777 3.721845 4.449485 5.746372 5.361333 5.190437 5.810237 5.812541 5.543119 6.531066 7.012332 7.006639 6.610947 3.032496 2.128791 3.356850 5.529460 6.032622 4.758509 6.979980 6.501711 7.841900 6.511257 6.060620 6.919549 3.763325 4.469816 2.953661 0.978199 0.000000 4.263511 3.969918 4.664874 5.586988 3.568126 5.617586 4.974563 1.825733 2.319819 4.848323 4.005304 2.322238 5.092149 4.691644 4.451236 5.652384 6.417989 7.033483 6.709099 7.826349 7.798407 7.714063 7.558721 3.027324 2.149887 3.042940 6.481617 6.835124 5.623712 7.499802 6.853801 8.310559 6.328414 6.099317 6.755095 5.123561 5.797702 4.357196 0.980839 1.539806 0.000000 3.509221 4.214995 3.209668 4.736878 2.739872 6.897983 3.688245 4.175311 3.880223 3.777147 3.582337 4.795051 3.884526 6.179211 5.587917 4.370311 4.726862 4.181050 3.788501 4.875800 5.612530 5.546380 5.108853 3.860028 3.272335 4.075300 3.747829 4.339223 3.045976 5.519598 5.204717 6.376938 6.319224 5.658421 6.835724 2.731360 3.125172 1.760528 2.787477 1.833510 3.098673 0.000000 3.550549 4.232764 2.875157 4.778957 3.154047 7.231009 4.223042 4.467340 4.081098 4.659901 4.527659 5.202152 4.681572 6.524529 5.829746 4.974991 5.213936 4.314767 3.750147 4.908786 5.886809 5.701115 5.346449 4.789554 4.162614 4.938930 3.391427 4.089591 2.633629 5.449157 5.171762 6.227279 6.982208 6.310965 7.571620 3.327859 3.541948 2.364007 3.418676 2.463854 3.612030 0.965596 0.000000 2.615946 3.413906 2.593654 3.821063 1.753260 6.009387 2.857672 3.765604 3.322076 3.518099 3.293557 4.283102 3.406421 5.343218 4.739854 3.641528 4.072101 4.177784 3.735621 4.990531 5.099974 4.963671 4.746899 3.549951 3.108794 3.545797 3.535871 3.925183 2.776672 4.844810 4.423448 5.711851 5.454269 4.821841 6.038336 3.076293 3.343398 2.229970 2.944815 2.147468 3.014889 0.986942 1.554227 0.000000 3.612241 3.595753 4.894789 4.055516 2.781477 3.243886 3.191719 3.526000 3.338232 4.038186 3.370874 3.010067 3.688998 2.780631 2.948572 3.565364 4.516516 6.866816 6.678467 7.827527 6.183303 6.126111 6.418957 2.751587 3.135424 1.777550 6.562386 6.386692 5.936828 6.102475 5.348741 6.860955 2.770774 2.929162 3.253204 5.788912 6.134521 5.411361 4.203386 4.382301 3.778996 4.786002 5.467973 3.976309 0.000000 3.896758 4.088851 5.223153 4.016927 3.090410 3.411088 2.963769 4.468927 4.187545 4.005716 3.529611 3.957580 3.489808 3.214666 3.405027 3.129827 4.056270 6.774446 6.650215 7.737113 5.721808 5.703964 6.080902 3.245528 3.814394 2.339650 6.621925 6.328127 6.110670 5.814893 5.107353 6.547801 1.798920 2.094537 2.322781 5.970900 6.207671 5.719162 5.043483 5.138186 4.695733 5.309666 5.995050 4.454505 0.982364 0.000000 2.029771 2.500101 3.176220 2.800502 0.984204 3.878500 2.061244 3.243251 2.702909 3.608720 3.163169 3.229059 3.140120 3.340816 2.937472 2.842343 3.631817 5.457445 5.113035 6.403423 5.114785 4.927943 5.205770 3.032980 3.070111 2.380904 4.824710 4.723181 4.150307 4.725871 4.001715 5.535167 3.450180 3.113992 4.145453 4.655392 4.870814 4.125550 3.687331 3.470124 3.321176 3.312883 3.868933 2.382649 1.802347 2.217400 0.000000 3.566051 3.199282 4.903208 3.951914 3.104048 2.320071 3.804619 3.224061 2.995104 4.979134 4.304555 2.593548 4.591690 1.813731 2.121254 4.288548 5.184632 7.536088 7.246686 8.495625 6.778954 6.600926 7.058388 3.568016 3.793287 2.601376 6.913556 6.697143 6.227728 6.322278 5.476964 6.994394 3.255800 3.555681 3.831165 6.571000 6.891033 6.101490 4.564022 4.788991 3.949617 5.247130 5.816468 4.409927 0.980542 1.573975 2.177892 0.000000 5.076150 6.063186 5.354241 5.751878 3.746328 7.656874 3.117445 6.053642 5.869161 1.033725 1.677814 6.226548 1.636955 7.130090 6.830539 3.001026 3.341449 3.452803 3.821896 4.208345 4.407954 4.889660 3.958191 3.064305 3.271010 3.561914 4.875382 5.162352 4.688465 5.850217 5.753350 6.811534 5.113071 4.329347 5.238243 1.516808 2.023154 1.945838 4.261959 3.775503 4.816256 3.180062 4.008037 3.139525 4.686157 4.762929 3.906074 5.567438 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6037,-1.5649,-.9914;1.9724,-1.8486,-1.3459;-.1517,-1.5075,-2.1892;.1375,-2.6823,-.2248;.4786,-.3274,-.2854;4.0034,-2.7188,1.2129;-.6934,-.2458,1.1003;3.7477,.4359,-1.6031;3.0988,-.286,-1.6001;-.7542,2.5654,1.6372;.2548,2.6484,1.4231;4.2148,.3318,-.7638;-.9369,1.5773,1.8162;4.0277,-1.9504,.6287;3.3628,-2.1329,-.055;-1.12,.0337,1.9404;-2.0639,-.2599,1.8865;-4.037,1.0885,-.4202;-3.6605,.4352,-1.0607;-4.913,1.3139,-.7577;-3.686,-.8025,1.6345;-3.4356,-1.584,1.1033;-3.9464,-.1298,.9731;1.7496,2.7073,1.1676;1.9298,2.8218,.2034;2.0814,1.8053,1.3676;-2.9541,-.8602,-1.9761;-2.9521,-1.6044,-1.3388;-2.0152,-.7523,-2.1914;-2.6623,-2.8334,-.01;-1.6898,-2.8853,-.0182;-2.979,-3.7374,-.129;.8128,-.8399,3.698;.0238,-.555,3.1876;.8422,-.2571,4.4667;-2.069,3.0239,-.4974;-2.8376,2.4103,-.4593;-1.458,2.6022,-1.1448;2.2895,2.8305,-1.5305;1.4116,2.5306,-1.8408;2.8389,2.019,-1.5718;-.2132,1.6959,-1.9985;-.4641,1.2775,-2.8318;.024,.9543,-1.392;2.4331,.0859,1.6499;1.9559,-.2762,2.4285;1.2206,-.1622,.3397;3.0849,-.5947,1.379;-1.2892,2.7978,.7838; 0.2492129 0.1872212 0.1689860 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= 598 RedAO= T EigKep= 6.83D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 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= 611 611 611 611 611 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.94521627676 -1471.94521628 1 1.467084494338e+03 -7.767883381664e+03 2.686310278331e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 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. PT36806.900S Fri Jul 19 06:06:30 2024 -24.65145 -24.64483 -24.64411 -19.16813 -19.13834 -19.13321 -19.13162 -19.13117 -19.13053 -19.12938 -19.12465 -19.12346 -19.12335 -19.12276 -19.12004 -19.11771 -19.11334 -19.11319 -6.85572 -1.19992 -1.15838 -1.15461 -1.07304 -1.03101 -1.02758 -1.02612 -1.02358 -1.02183 -1.01957 -1.01630 -1.01192 -1.00911 -1.00541 -1.00214 -0.99910 -0.99409 -0.99208 -0.57912 -0.56689 -0.56521 -0.55168 -0.54745 -0.54412 -0.54173 -0.54114 -0.53980 -0.53423 -0.53313 -0.53108 -0.53038 -0.52539 -0.52391 -0.52210 -0.51742 -0.50215 -0.49617 -0.44393 -0.43981 -0.43735 -0.43461 -0.42804 -0.42398 -0.42177 -0.41645 -0.41315 -0.40671 -0.40512 -0.39865 -0.39694 -0.39647 -0.39386 -0.38648 -0.38304 -0.37980 -0.37454 -0.37278 -0.35977 -0.33570 -0.33473 -0.33253 -0.33085 -0.32896 -0.32746 -0.32697 -0.32552 -0.32445 -0.32326 -0.32124 -0.31845 -0.31659 -0.31434 -0.00814 0.01150 0.02006 0.02610 0.04661 0.05439 0.05939 0.06181 0.07068 0.08488 0.09346 0.09527 0.10099 0.10540 0.11014 0.11324 0.11415 0.12230 0.12859 0.13231 0.13963 0.14176 0.14512 0.15045 0.15168 0.15636 0.15678 0.16684 0.16812 0.16949 0.17506 0.17795 0.17996 0.18405 0.18812 0.18988 0.19236 0.19320 0.19849 0.20295 0.20694 0.20814 0.21591 0.21741 0.21882 0.22065 0.22372 0.23374 0.23479 0.23731 0.24097 0.24725 0.25099 0.25282 0.25479 0.25791 0.26447 0.26512 0.26631 0.27150 0.27377 0.27595 0.27691 0.28205 0.28308 0.28478 0.28807 0.28957 0.29299 0.29464 0.29528 0.30241 0.30664 0.31099 0.31418 0.31681 0.31958 0.32389 0.32817 0.32945 0.33975 0.34819 0.35282 0.35887 0.36875 0.37229 0.37425 0.38404 0.38950 0.40299 0.41317 0.42229 0.43056 0.43390 0.44420 0.44974 0.45483 0.47126 0.47255 0.48817 0.49593 0.50069 0.50933 0.51035 0.51408 0.52009 0.52379 0.52795 0.53851 0.53910 0.54636 0.55087 0.55605 0.56492 0.56888 0.57582 0.57748 0.58367 0.58644 0.59042 0.59394 0.59949 0.61546 0.61941 0.62724 0.62951 0.64026 0.64691 0.64818 0.65592 0.66261 0.66501 0.67374 0.67699 0.68668 0.69069 0.69777 0.70077 0.71878 0.73071 0.73523 0.75259 0.78147 0.84393 0.93973 0.95341 0.95789 0.96163 0.97348 0.98023 0.98388 0.99101 0.99404 0.99927 1.00455 1.01355 1.01744 1.02085 1.02675 1.03331 1.03825 1.04116 1.05484 1.05716 1.05989 1.07097 1.07881 1.08115 1.08236 1.08728 1.09097 1.09348 1.10062 1.10733 1.11326 1.11806 1.12106 1.12497 1.13442 1.13636 1.14121 1.14449 1.14857 1.15426 1.17118 1.18027 1.19897 1.20482 1.21682 1.22951 1.23502 1.24090 1.25376 1.26623 1.27699 1.28107 1.29226 1.29865 1.30575 1.31138 1.31577 1.31781 1.32061 1.32736 1.33795 1.34061 1.34826 1.35112 1.36058 1.36713 1.37674 1.38043 1.38929 1.39897 1.40324 1.40719 1.41187 1.41864 1.42692 1.42990 1.43700 1.43974 1.44645 1.45768 1.45892 1.46889 1.48089 1.48501 1.49051 1.49219 1.50426 1.50552 1.51114 1.51886 1.52651 1.53716 1.54514 1.55284 1.55896 1.56940 1.57202 1.57437 1.58100 1.58897 1.60602 1.61623 1.62145 1.62302 1.63106 1.63499 1.64312 1.65500 1.65897 1.67028 1.67601 1.69452 1.70024 1.71620 1.71775 1.72916 1.73644 1.74047 1.74579 1.75279 1.75945 1.76780 1.77414 1.79045 1.79187 1.80664 1.81963 1.82757 1.84283 1.86161 1.87366 1.88916 1.90130 2.02589 2.02862 2.03435 2.03929 2.05653 2.07118 2.08120 2.12386 2.15413 2.16445 2.18370 2.20225 2.21502 2.22588 2.24368 2.27113 2.27191 2.28675 2.29447 2.31632 2.32356 2.32950 2.33370 2.34720 2.35332 2.36930 2.39050 2.40032 2.41389 2.42237 2.43118 2.44553 2.45579 2.49700 2.50644 2.52090 2.56626 2.57164 2.59276 2.59456 2.60219 2.62315 2.63524 2.67507 2.69486 2.71493 2.71796 2.72646 2.72876 2.73688 2.74285 2.75141 2.75937 2.78028 2.78718 2.79890 2.80094 2.80974 2.81871 2.83155 2.83935 2.86280 2.87051 2.88559 2.92655 2.96574 2.98230 3.07460 3.08198 3.08681 3.08978 3.09304 3.09602 3.10006 3.10675 3.11246 3.11276 3.11857 3.12469 3.12844 3.13533 3.13991 3.14640 3.15162 3.15914 3.16086 3.16510 3.17223 3.17252 3.17962 3.18923 3.19360 3.20754 3.21055 3.23669 3.25543 3.29061 3.29791 3.30708 3.31603 3.31896 3.32265 3.33097 3.33558 3.33849 3.34849 3.35200 3.36097 3.36429 3.37002 3.38207 3.52571 3.56954 3.67989 3.69173 3.70236 3.70993 3.71329 3.72544 3.72928 3.73416 3.74401 3.76674 3.76953 3.77888 3.78878 3.80461 3.81028 3.82079 3.84237 3.85145 3.85552 3.88701 3.89708 3.90849 3.91053 3.91514 3.91952 3.92239 3.92388 3.92914 3.93828 3.94640 3.95161 3.95440 3.95586 3.96278 3.97147 3.98563 4.00083 4.02908 4.09870 4.21630 4.23259 4.39045 4.65763 4.66647 4.99155 5.01073 5.01698 5.01933 5.02373 5.02597 5.03762 5.05669 5.06205 5.06725 5.09359 5.10819 5.13325 5.22160 5.24188 5.37857 5.38188 5.39699 5.40418 5.41468 5.42305 5.43373 5.45300 5.46223 5.47915 5.48915 5.49925 5.50903 5.53328 5.62562 5.63921 5.64728 5.65909 5.66428 5.67727 5.68791 5.70125 5.70551 5.72677 5.73208 5.74661 5.75427 5.76412 5.77221 5.79423 6.36640 6.40074 6.42727 6.45670 6.46008 6.48140 6.53058 6.64414 6.70668 14.59084 49.88055 49.88233 49.89347 49.89757 49.91111 49.91569 49.91978 49.93183 49.94171 49.94505 49.95475 49.96217 49.98338 49.98644 50.01186 66.85658 66.86575 66.87656 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F 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 1.119775 -0.452428 -0.466132 -0.433138 -1.110183 0.318953 0.406707 -0.623116 0.324159 -0.657223 0.468755 0.312744 0.471678 -0.646568 0.309766 -0.853261 0.469332 -0.754787 0.410925 0.347802 -0.771601 0.392419 0.384141 -0.777503 0.416011 0.393540 -0.676692 0.374254 0.320223 -0.697026 0.317291 0.353775 -0.735574 0.403471 0.322634 -0.755571 0.394423 0.390940 -0.765135 0.365393 0.381253 -0.702641 0.329409 0.395948 -0.901938 0.434317 0.524010 0.438972 0.487496 -0.00000 -5.4212 -4.6416 2.3976 7.5287 -127.0786 -141.9470 -132.5056 -10.2139 22.3539 -1.0582 6.7651 -8.1032 1.3381 -10.2139 22.3539 -1.0582 -115.1814 -191.0848 36.5968 -58.9020 -50.5543 2.3569 8.5283 21.9914 14.8969 -1.5359 -4119.9233 -2763.6846 -1812.1983 -238.1405 407.6411 36.1318 26.1922 131.6111 49.0510 -1073.8644 -1278.9830 -922.4377 -20.5747 91.8628 -110.0867 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-HORCAJUELO LAMSABHI 19-Jul-2024 0 Wavefunction 15-agua-BF3/ CONF40 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.9452163 RMSD=9.429e-09 Dipole=-0.3437415,0.4864512,2.901515 Quadrupole=17.5434199,-4.7879017,-12.7555182,3.602663,9.9229642,2.7644507 PG=C01 [X(B1F3H30O15)] 0 -0.4733484841 1.862865725 -0.1796841858 0 -1.1503195528 2.4620211625 -1.3031505344 0 0.7666506373 2.529167296 -0.0147692388 0 -1.2785308589 2.129473178 0.9753946563 0 -0.2444402164 0.4647681946 -0.3755406831 0 -4.4094356042 1.639026554 -1.6646961132 0 -0.4574997416 -0.6460899052 1.0460626793 0 -0.8265710131 1.1412611775 -3.8698059649 0 -0.8281244341 1.6005948818 -3.0146241049 0 0.6386276088 -3.0899195661 0.0355736869 0 0.2555555094 -2.8957633982 -0.9059211647 0 -1.6926809885 0.714661361 -3.9058001368 0 0.1259594196 -2.4976255309 0.689936346 0 -3.6521284851 1.4601588853 -2.236369001 0 -2.9217220818 1.9735211104 -1.8545867911 0 -0.629985734 -1.4578758871 1.5725102923 0 -0.2131889652 -1.3111366004 2.4584148141 0 3.088387845 -1.0026752832 2.6497048122 0 2.9696232704 -0.0522109903 2.402460221 0 3.9148559316 -1.0445425047 3.146980424 0 0.588762572 -0.9251126801 3.9406393554 0 0.4042634311 0.0336952511 3.8931334394 0 1.5081956207 -1.0140917323 3.6175388284 0 -0.3848756831 -2.6016786635 -2.249940055 0 0.2058023443 -2.0270610631 -2.7943290258 0 -1.1564139435 -2.0291266907 -2.0485959524 0 2.5234365103 1.5930701763 2.0721175128 0 1.7286014194 1.7218604006 2.6305335636 0 2.1929710507 1.761638701 1.1766756158 0 0.0738272336 1.7836086683 3.4165135712 0 -0.4920954923 1.9370414724 2.6389220567 0 -0.1254792358 2.4960336984 4.0365838975 0 -3.308960829 -1.7583227981 1.0059607656 0 -2.3876267991 -1.7197806036 1.3434010666 0 -3.537551951 -2.6959685011 0.9976028617 0 3.0100735806 -2.1626073498 0.1450182629 0 3.107073403 -1.8201869163 1.0627083004 0 2.8809586038 -1.3525727041 -0.4003267557 0 1.1485798726 -0.8438437399 -3.7145981802 0 1.69374457 -0.5150311963 -2.9719327748 0 0.4592614366 -0.1538445394 -3.8184533413 0 2.2882182744 0.024352249 -1.3234709883 0 2.7661201675 0.8581477397 -1.2298172208 0 1.3831620136 0.1980818594 -0.9702769087 0 -2.4046560937 -0.9037369633 -1.4697416872 0 -2.8313712273 -1.205435158 -0.6379180551 0 -0.9882688967 0.0117019886 -0.8339159252 0 -2.9345798548 -0.1469458073 -1.7982390418 0 1.6166789883 -2.7565638495 0.0651739733 Gaussian 16 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4733,1.8629,-.1797;-1.1503,2.462,-1.3032;.7667,2.5292,-.0148;-1.2785,2.1295,.9754;-.2444,.4648,-.3755;-4.4094,1.639,-1.6647;-.4575,-.6461,1.0461;-.8266,1.1413,-3.8698;-.8281,1.6006,-3.0146;.6386,-3.0899,.0356;.2556,-2.8958,-.9059;-1.6927,.7147,-3.9058;.126,-2.4976,.6899;-3.6521,1.4602,-2.2364;-2.9217,1.9735,-1.8546;-.63,-1.4579,1.5725;-.2132,-1.3111,2.4584;3.0884,-1.0027,2.6497;2.9696,-.0522,2.4025;3.9149,-1.0445,3.147;.5888,-.9251,3.9406;.4043,.0337,3.8931;1.5082,-1.0141,3.6175;-.3849,-2.6017,-2.2499;.2058,-2.0271,-2.7943;-1.1564,-2.0291,-2.0486;2.5234,1.5931,2.0721;1.7286,1.7219,2.6305;2.193,1.7616,1.1767;.0738,1.7836,3.4165;-.4921,1.937,2.6389;-.1255,2.496,4.0366;-3.309,-1.7583,1.006;-2.3876,-1.7198,1.3434;-3.5376,-2.696,.9976;3.0101,-2.1626,.145;3.1071,-1.8202,1.0627;2.881,-1.3526,-.4003;1.1486,-.8438,-3.7146;1.6937,-.515,-2.9719;.4593,-.1538,-3.8185;2.2882,.0244,-1.3235;2.7661,.8581,-1.2298;1.3832,.1981,-.9703;-2.4047,-.9037,-1.4697;-2.8314,-1.2054,-.6379;-.9883,.0117,-.8339;-2.9346,-.1469,-1.7982;1.6167,-2.7566,.0652; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF40/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=W 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 15-agua-BF3/ CONF40 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 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 11.0093053 18.9984033 18.9984033 18.9984033 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 3 1 1 1 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 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1125 A 1011 A 1011 1432 1125 91 91 2142.5889052745 49 49 49 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) -0.0609311844 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.442031 0.000000 1.417305 2.310673 0.000000 1.433041 2.306251 2.307151 0.000000 1.430187 2.381197 2.326844 2.380255 0.000000 4.212855 3.380809 5.505132 4.124704 4.515306 0.000000 2.792412 3.957165 3.564571 2.895313 1.816688 5.309215 0.000000 3.776570 2.904641 4.396129 4.965561 3.606440 4.236413 5.243720 0.000000 2.869065 1.942938 3.522028 4.050040 2.931817 3.827476 4.655549 0.970735 0.000000 5.080641 5.984694 5.620771 5.639222 3.685733 7.122976 2.862671 5.941522 5.784116 0.000000 4.868601 5.553389 5.521344 5.580840 3.438673 6.549977 3.062633 5.123786 5.083132 1.034820 0.000000 4.085228 3.181384 4.947814 5.098948 3.823948 3.641120 5.281881 0.966142 1.525297 5.953508 5.082329 0.000000 4.486568 5.495396 5.116223 4.843978 3.169892 6.574648 1.973686 5.911012 5.606198 1.020701 1.649870 5.894661 0.000000 3.807462 2.851959 5.060029 4.049367 4.008220 0.965566 5.041458 3.279266 2.932644 6.653986 6.001179 2.679963 6.204939 0.000000 2.968514 1.918484 4.159058 3.276155 3.410535 1.536632 4.620446 3.023809 2.422377 6.472034 5.891094 2.702359 5.979474 0.970975 0.000000 3.757931 4.889352 4.512933 3.694081 2.764075 5.861276 0.982800 6.034316 5.516820 2.575873 2.999054 5.988416 1.559317 5.670612 5.363910 0.000000 4.135401 5.409649 4.671687 3.895138 3.344565 6.581185 1.580099 6.814460 6.229806 3.124071 3.748269 6.840759 2.156454 6.445726 6.060290 0.989989 0.000000 5.376126 6.752468 4.996378 5.628823 4.734263 9.044888 3.907959 7.901100 7.362113 4.146275 4.924551 8.293522 3.853771 8.681810 8.078849 3.897930 3.321468 0.000000 4.710525 6.084969 4.166485 4.984283 4.279575 8.593751 3.733320 7.428108 6.819051 4.501485 5.137834 7.881581 4.123010 8.225181 7.545462 3.952454 3.423203 0.989251 0.000000 6.227042 7.599714 5.716578 6.462308 5.655609 9.982365 4.867249 8.746094 8.213281 4.959646 5.765718 9.180467 4.743865 9.618380 8.992396 4.827565 4.193561 0.965446 1.559646 0.000000 5.087039 6.480310 5.254422 4.648651 4.610359 7.935779 3.090484 8.202203 7.534086 4.465245 5.242484 8.334294 3.640612 7.863212 7.369547 2.716104 1.728910 2.814366 2.965881 3.421557 0.000000 4.550155 5.942631 4.650850 3.967024 4.339150 7.525839 3.051320 7.937562 7.189650 4.969171 5.624479 8.104582 4.092128 7.487317 6.918193 2.946141 2.061125 3.134438 2.968258 3.747479 0.977553 0.000000 5.159681 6.585154 5.128181 4.962738 4.604720 8.364174 3.257587 8.133696 7.502037 4.230329 5.056826 8.356723 3.561223 8.186519 7.648147 2.991806 2.096418 1.853062 2.130118 2.452421 0.978605 1.546763 0.000000 4.921986 5.208010 5.713806 5.795274 3.596692 5.875642 3.833176 4.102275 4.294219 2.551374 1.517572 3.930692 2.985742 5.212835 5.246365 3.997435 4.885036 6.215054 6.276725 7.073833 6.487073 6.730920 6.366432 0.000000 4.735942 4.920827 5.366537 5.804381 3.501781 6.001391 4.134690 3.501530 3.778548 3.053744 2.079231 3.515203 3.516804 5.230263 5.164221 4.482388 5.317840 6.244691 6.208491 7.072594 6.835258 7.000590 6.620754 0.987646 0.000000 4.371157 4.552597 5.349081 5.143285 3.138522 4.917812 3.460951 3.671098 3.770393 2.948087 2.012566 3.356362 3.059989 4.294061 4.378943 3.703494 4.660293 6.414513 6.383125 7.326745 6.335253 6.480362 6.343148 0.981645 1.552983 0.000000 3.758207 5.063990 2.884037 3.993180 3.863320 7.875951 3.866860 6.836164 6.091630 5.443382 5.844795 7.367683 4.938837 7.531157 6.724099 4.416101 4.009085 2.718579 1.736421 3.169918 3.684506 3.199788 3.196300 6.688376 6.493002 6.606201 0.000000 3.572925 4.930507 2.928262 3.456657 3.809154 7.492086 3.591208 7.008596 6.198335 5.574503 5.999902 7.446025 4.913089 7.259992 6.465690 4.097935 3.605447 3.045075 2.177035 3.563623 3.165766 2.489564 2.916881 6.854108 6.767752 6.654883 0.979887 0.000000 2.993195 4.221098 2.010729 3.496733 3.167368 7.188894 3.583185 5.913500 5.169134 5.220701 5.457305 6.482747 4.759284 6.775319 5.949246 4.300121 4.107847 3.257763 2.322883 3.836879 4.175118 3.682989 3.759177 6.117641 5.837119 5.999222 0.969247 1.526737 0.000000 3.638450 4.922805 3.579045 2.812038 4.027445 6.777849 3.435809 7.369788 6.496656 5.958274 6.372832 7.607856 5.076013 6.778086 6.065796 3.795118 3.252350 4.175997 3.575496 4.777509 2.806606 1.843516 3.150389 7.179822 7.287879 6.776272 2.800766 1.832991 3.083525 0.000000 2.819644 4.030980 2.996186 1.850090 3.363913 5.827134 3.034957 6.565720 5.673508 5.772893 6.039942 6.765280 4.883319 5.829381 5.108428 3.561139 3.265124 4.632700 3.999567 5.345015 3.324853 2.449333 3.697032 6.671765 6.761759 6.176134 3.087558 2.231114 3.062436 0.973888 0.000000 4.277713 5.437299 4.148549 3.291622 4.858707 7.182711 4.350448 8.052201 7.142482 6.913379 7.324276 8.289202 6.016636 7.270504 6.542009 4.686106 4.122239 4.949075 4.329385 5.445308 3.496225 2.522760 3.894287 8.097799 8.199360 7.653059 3.419243 2.452333 3.754147 0.965277 1.549303 0.000000 4.749680 5.272858 6.002922 4.386176 4.030132 4.459309 3.060964 6.192168 5.796721 4.277646 4.201766 5.731789 3.527764 4.581385 4.717981 2.754660 3.448681 6.648230 6.654446 7.568155 4.949629 5.033401 5.529848 4.456727 5.183434 3.746613 6.810682 6.334662 6.533799 5.458873 4.925141 6.117089 0.000000 4.338157 5.101238 5.463300 4.022720 3.510023 4.941452 2.228590 6.148169 5.696431 3.570141 3.664533 5.827827 2.711121 4.952346 4.914556 1.791755 2.477585 5.675157 5.709862 6.590154 4.029397 4.167789 4.565866 4.207239 4.892965 3.621771 5.968631 5.517693 5.755863 4.757130 4.317842 5.490322 0.981941 0.000000 5.617679 6.131656 6.844933 5.328091 4.766588 5.161414 3.700145 6.765014 6.472976 4.303623 4.248645 6.251344 3.681754 5.267361 5.506212 3.212061 3.886273 7.035607 7.162849 7.930032 5.368786 5.601167 5.928941 4.527118 5.370185 3.923496 7.502401 7.065129 7.262315 6.241779 5.782172 6.916251 0.965144 1.547529 0.000000 5.333301 6.386960 5.203002 6.124019 4.214967 8.530920 3.890472 6.461749 6.235126 2.548655 3.037986 6.841323 2.954198 7.948608 7.502811 3.972960 4.057860 2.761346 3.090543 3.328735 4.669141 5.065803 3.953875 4.177833 4.064735 4.710560 4.249193 4.786340 4.139043 5.907355 5.940696 6.832197 6.390216 5.546836 6.624407 0.000000 5.284679 6.485367 5.055237 5.902623 4.303745 8.712221 3.752994 6.969464 6.619076 2.959806 3.628157 7.358612 3.079760 8.205571 7.697351 3.789034 3.637481 1.785282 2.222514 2.366078 3.927535 4.330516 3.119833 4.876277 4.830829 5.282158 3.606919 4.111491 3.698384 5.265769 5.436472 6.158173 6.416583 5.502781 6.702408 0.984284 0.000000 4.651785 5.622937 4.436988 5.596303 3.615447 7.981112 3.706274 5.657055 5.414152 2.869918 3.087038 6.122089 3.176451 7.346001 6.844624 4.028636 4.212822 3.077036 3.091022 3.707724 4.927562 5.146801 4.259377 3.955630 3.652758 4.413037 3.862333 4.468353 3.557889 5.681891 5.606790 6.598228 6.360612 5.561782 6.704938 0.985002 1.552502 0.000000 4.738412 4.693481 5.021136 6.060323 3.847372 6.423261 5.028170 2.804630 3.220653 4.400988 3.591174 3.246269 4.814631 5.526336 5.288151 5.611938 6.338680 6.655256 6.431274 7.400934 7.676110 7.694262 7.342925 2.754395 1.770799 3.081145 6.427664 6.868767 5.639490 7.675373 7.126876 8.535738 6.556647 6.233408 6.898916 4.483407 5.254674 3.774167 0.000000 4.259969 4.442564 4.344130 5.604393 3.384940 6.602851 4.559530 3.146660 3.292039 4.097367 3.464777 3.721845 4.449485 5.746372 5.361333 5.190437 5.810237 5.812541 5.543119 6.531066 7.012332 7.006639 6.610947 3.032496 2.128791 3.356850 5.529460 6.032622 4.758509 6.979980 6.501711 7.841900 6.511257 6.060620 6.919549 3.763325 4.469816 2.953661 0.978199 0.000000 4.263511 3.969918 4.664874 5.586988 3.568126 5.617586 4.974563 1.825733 2.319819 4.848323 4.005304 2.322238 5.092149 4.691644 4.451236 5.652384 6.417989 7.033483 6.709099 7.826349 7.798407 7.714063 7.558721 3.027324 2.149887 3.042940 6.481617 6.835124 5.623712 7.499802 6.853801 8.310559 6.328414 6.099317 6.755095 5.123561 5.797702 4.357196 0.980839 1.539806 0.000000 3.509221 4.214995 3.209668 4.736878 2.739872 6.897983 3.688245 4.175311 3.880223 3.777147 3.582337 4.795051 3.884526 6.179211 5.587917 4.370311 4.726862 4.181050 3.788501 4.875800 5.612530 5.546380 5.108853 3.860028 3.272335 4.075300 3.747829 4.339223 3.045976 5.519598 5.204717 6.376938 6.319224 5.658421 6.835724 2.731360 3.125172 1.760528 2.787477 1.833510 3.098673 0.000000 3.550549 4.232764 2.875157 4.778957 3.154047 7.231009 4.223042 4.467340 4.081098 4.659901 4.527659 5.202152 4.681572 6.524529 5.829746 4.974991 5.213936 4.314767 3.750147 4.908786 5.886809 5.701115 5.346449 4.789554 4.162614 4.938930 3.391427 4.089591 2.633629 5.449157 5.171762 6.227279 6.982208 6.310965 7.571620 3.327859 3.541948 2.364007 3.418676 2.463854 3.612030 0.965596 0.000000 2.615946 3.413906 2.593654 3.821063 1.753260 6.009387 2.857672 3.765604 3.322076 3.518099 3.293557 4.283102 3.406421 5.343218 4.739854 3.641528 4.072101 4.177784 3.735621 4.990531 5.099974 4.963671 4.746899 3.549951 3.108794 3.545797 3.535871 3.925183 2.776672 4.844810 4.423448 5.711851 5.454269 4.821841 6.038336 3.076293 3.343398 2.229970 2.944815 2.147468 3.014889 0.986942 1.554227 0.000000 3.612241 3.595753 4.894789 4.055516 2.781477 3.243886 3.191719 3.526000 3.338232 4.038186 3.370874 3.010067 3.688998 2.780631 2.948572 3.565364 4.516516 6.866816 6.678467 7.827527 6.183303 6.126111 6.418957 2.751587 3.135424 1.777550 6.562386 6.386692 5.936828 6.102475 5.348741 6.860955 2.770774 2.929162 3.253204 5.788912 6.134521 5.411361 4.203386 4.382301 3.778996 4.786002 5.467973 3.976309 0.000000 3.896758 4.088851 5.223153 4.016927 3.090410 3.411088 2.963769 4.468927 4.187545 4.005716 3.529611 3.957580 3.489808 3.214666 3.405027 3.129827 4.056270 6.774446 6.650215 7.737113 5.721808 5.703964 6.080902 3.245528 3.814394 2.339650 6.621925 6.328127 6.110670 5.814893 5.107353 6.547801 1.798920 2.094537 2.322781 5.970900 6.207671 5.719162 5.043483 5.138186 4.695733 5.309666 5.995050 4.454505 0.982364 0.000000 2.029771 2.500101 3.176220 2.800502 0.984204 3.878500 2.061244 3.243251 2.702909 3.608720 3.163169 3.229059 3.140120 3.340816 2.937472 2.842343 3.631817 5.457445 5.113035 6.403423 5.114785 4.927943 5.205770 3.032980 3.070111 2.380904 4.824710 4.723181 4.150307 4.725871 4.001715 5.535167 3.450180 3.113992 4.145453 4.655392 4.870814 4.125550 3.687331 3.470124 3.321176 3.312883 3.868933 2.382649 1.802347 2.217400 0.000000 3.566051 3.199282 4.903208 3.951914 3.104048 2.320071 3.804619 3.224061 2.995104 4.979134 4.304555 2.593548 4.591690 1.813731 2.121254 4.288548 5.184632 7.536088 7.246686 8.495625 6.778954 6.600926 7.058388 3.568016 3.793287 2.601376 6.913556 6.697143 6.227728 6.322278 5.476964 6.994394 3.255800 3.555681 3.831165 6.571000 6.891033 6.101490 4.564022 4.788991 3.949617 5.247130 5.816468 4.409927 0.980542 1.573975 2.177892 0.000000 5.076150 6.063186 5.354241 5.751878 3.746328 7.656874 3.117445 6.053642 5.869161 1.033725 1.677814 6.226548 1.636955 7.130090 6.830539 3.001026 3.341449 3.452803 3.821896 4.208345 4.407954 4.889660 3.958191 3.064305 3.271010 3.561914 4.875382 5.162352 4.688465 5.850217 5.753350 6.811534 5.113071 4.329347 5.238243 1.516808 2.023154 1.945838 4.261959 3.775503 4.816256 3.180062 4.008037 3.139525 4.686157 4.762929 3.906074 5.567438 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6037,-1.5649,-.9914;1.9724,-1.8486,-1.3459;-.1517,-1.5075,-2.1892;.1375,-2.6823,-.2248;.4786,-.3274,-.2854;4.0034,-2.7188,1.2129;-.6934,-.2458,1.1003;3.7477,.4359,-1.6031;3.0988,-.286,-1.6001;-.7542,2.5654,1.6372;.2548,2.6484,1.4231;4.2148,.3318,-.7638;-.9369,1.5773,1.8162;4.0277,-1.9504,.6287;3.3628,-2.1329,-.055;-1.12,.0337,1.9404;-2.0639,-.2599,1.8865;-4.037,1.0885,-.4202;-3.6605,.4352,-1.0607;-4.913,1.3139,-.7577;-3.686,-.8025,1.6345;-3.4356,-1.584,1.1033;-3.9464,-.1298,.9731;1.7496,2.7073,1.1676;1.9298,2.8218,.2034;2.0814,1.8053,1.3676;-2.9541,-.8602,-1.9761;-2.9521,-1.6044,-1.3388;-2.0152,-.7523,-2.1914;-2.6623,-2.8334,-.01;-1.6898,-2.8853,-.0182;-2.979,-3.7374,-.129;.8128,-.8399,3.698;.0238,-.555,3.1876;.8422,-.2571,4.4667;-2.069,3.0239,-.4974;-2.8376,2.4103,-.4593;-1.458,2.6022,-1.1448;2.2895,2.8305,-1.5305;1.4116,2.5306,-1.8408;2.8389,2.019,-1.5718;-.2132,1.6959,-1.9985;-.4641,1.2775,-2.8318;.024,.9543,-1.392;2.4331,.0859,1.6499;1.9559,-.2762,2.4285;1.2206,-.1622,.3397;3.0849,-.5947,1.379;-1.2892,2.7978,.7838; 0.2492129 0.1872212 0.1689860 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= 1011 RedAO= T EigKep= 2.58D-05 NBF= 1011 NBsUse= 1011 1.00D-06 EigRej= -1.00D+00 NBFU= 1011 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= 1101 1101 1101 1101 1101 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.95658130151 -1472.00637880436 -0.049797502845 -1472.00658642600 -0.000207621639 -1472.00674312296 -0.000156696966 -1472.00675516375 -0.000012040785 -1472.00675627224 -0.000001108492 -1472.00675630490 -0.000000032657 -1472.00675631794 -0.000000013046 -1472.00675631816 -0.000000000222 -1472.00675632 9 1.466913687498e+03 -7.768511571692e+03 2.687047735158e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15096934256 LenY= 15095667506 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. PT7760.800S Fri Jul 19 06:15:13 2024 -24.64955 -24.64294 -24.64213 -19.16765 -19.13794 -19.13285 -19.13122 -19.13089 -19.13014 -19.12891 -19.12452 -19.12338 -19.12315 -19.12251 -19.11954 -19.11767 -19.11305 -19.11119 -6.84584 -1.19629 -1.15548 -1.15172 -1.07204 -1.02998 -1.02634 -1.02507 -1.02245 -1.02071 -1.01840 -1.01521 -1.01081 -1.00801 -1.00372 -1.00106 -0.99792 -0.99293 -0.99010 -0.57589 -0.56581 -0.56419 -0.54987 -0.54615 -0.54286 -0.54055 -0.53974 -0.53831 -0.53304 -0.53192 -0.53001 -0.52915 -0.52415 -0.52276 -0.52085 -0.51544 -0.49946 -0.49333 -0.44295 -0.43966 -0.43708 -0.43419 -0.42776 -0.42306 -0.42126 -0.41618 -0.41306 -0.40633 -0.40498 -0.39857 -0.39677 -0.39608 -0.39384 -0.38604 -0.38279 -0.37959 -0.37434 -0.37191 -0.35859 -0.33575 -0.33492 -0.33250 -0.33089 -0.32913 -0.32750 -0.32703 -0.32562 -0.32467 -0.32338 -0.32114 -0.31859 -0.31603 -0.31453 -0.00859 0.01092 0.01948 0.02517 0.04512 0.05302 0.05807 0.06077 0.06922 0.08310 0.09226 0.09323 0.09935 0.10332 0.10795 0.11133 0.11247 0.12070 0.12704 0.13058 0.13817 0.14016 0.14253 0.14828 0.14983 0.15326 0.15467 0.16483 0.16502 0.16641 0.17213 0.17568 0.17724 0.18153 0.18498 0.18710 0.18906 0.18994 0.19452 0.19977 0.20288 0.20501 0.21124 0.21377 0.21534 0.21664 0.21897 0.22743 0.22965 0.23354 0.23662 0.24358 0.24496 0.24704 0.25087 0.25494 0.25787 0.25918 0.26173 0.26446 0.26680 0.26919 0.27107 0.27383 0.27724 0.27832 0.28220 0.28439 0.28647 0.28864 0.29025 0.29329 0.29841 0.30319 0.30710 0.30775 0.31008 0.31518 0.31693 0.32188 0.33137 0.34020 0.34476 0.34855 0.35266 0.35918 0.36074 0.36689 0.38100 0.39160 0.39662 0.40393 0.40694 0.41340 0.42270 0.42395 0.43319 0.43900 0.44327 0.44779 0.45307 0.46933 0.47934 0.48275 0.48537 0.49000 0.49475 0.49980 0.50256 0.50668 0.50935 0.51542 0.52311 0.52641 0.53116 0.53406 0.53694 0.54054 0.54497 0.54911 0.55353 0.55620 0.55741 0.56509 0.57376 0.58060 0.58295 0.58775 0.59053 0.59578 0.59940 0.60324 0.61045 0.61423 0.61980 0.62047 0.62881 0.63598 0.63661 0.64281 0.64809 0.65115 0.65704 0.65919 0.66933 0.67480 0.67860 0.68678 0.69211 0.69960 0.70150 0.70590 0.71571 0.71620 0.72793 0.73396 0.74006 0.74284 0.74976 0.75853 0.76407 0.76682 0.77359 0.78269 0.78666 0.78975 0.79322 0.79827 0.80346 0.82103 0.82786 0.83049 0.83627 0.84135 0.84403 0.84905 0.85894 0.86632 0.86762 0.87098 0.87252 0.87802 0.88466 0.88796 0.89328 0.90045 0.90242 0.90594 0.90787 0.91676 0.92081 0.92430 0.92684 0.93045 0.93212 0.93586 0.94229 0.94623 0.94922 0.95512 0.96508 0.96828 0.97735 0.97809 0.97982 0.99015 0.99211 0.99714 1.00548 1.00815 1.00897 1.01369 1.01620 1.02032 1.02370 1.02779 1.03583 1.03944 1.04331 1.04561 1.04868 1.05545 1.05969 1.06155 1.06566 1.06816 1.06966 1.07722 1.08645 1.08710 1.09223 1.09301 1.09784 1.10161 1.10750 1.11834 1.11879 1.12062 1.12466 1.13066 1.13793 1.14121 1.14557 1.14892 1.15465 1.16441 1.16835 1.17590 1.17930 1.18228 1.18573 1.18795 1.19431 1.19689 1.20021 1.20440 1.20818 1.21630 1.22409 1.23173 1.23702 1.24033 1.24605 1.24789 1.25627 1.25978 1.26410 1.26677 1.27523 1.27699 1.28577 1.29231 1.29504 1.30122 1.30717 1.31223 1.31569 1.32186 1.32670 1.32931 1.33751 1.34222 1.34663 1.35900 1.36467 1.36861 1.36992 1.37827 1.38093 1.38282 1.38958 1.40156 1.40635 1.41011 1.42014 1.42169 1.42471 1.43278 1.43872 1.44257 1.44824 1.45476 1.46385 1.46692 1.47254 1.47634 1.49155 1.49504 1.49843 1.50454 1.51286 1.51859 1.52126 1.52591 1.53016 1.53811 1.54357 1.54964 1.55515 1.56340 1.57429 1.58090 1.58440 1.58879 1.58947 1.60399 1.61179 1.61402 1.62059 1.62692 1.62865 1.63163 1.64716 1.65402 1.65733 1.66590 1.67471 1.67638 1.68913 1.69085 1.70289 1.70883 1.71539 1.72357 1.73704 1.74310 1.75700 1.76374 1.77788 1.79375 1.80291 1.81546 1.82408 1.82957 1.83815 1.84506 1.85354 1.86233 1.87656 1.89207 1.90474 1.92014 1.93128 1.94664 1.95586 1.96837 1.98084 1.98688 1.99844 2.01245 2.01895 2.03982 2.04467 2.06626 2.08493 2.09105 2.10588 2.12743 2.14070 2.14737 2.17168 2.17988 2.18920 2.19890 2.21360 2.22202 2.24747 2.25766 2.26750 2.27202 2.27981 2.29466 2.30526 2.32084 2.32933 2.33286 2.34695 2.36053 2.36847 2.37214 2.38596 2.41609 2.41937 2.43178 2.44490 2.47670 2.58117 2.59341 2.63390 2.71094 2.72026 2.73924 2.74787 2.75334 2.75875 2.76129 2.76961 2.77385 2.78278 2.78404 2.79889 2.80165 2.81315 2.81785 2.82978 2.83587 2.85060 2.86698 2.87252 2.87808 2.88878 2.90990 2.91876 2.92927 2.94194 2.97138 2.98512 3.00023 3.01028 3.03717 3.06268 3.08212 3.11443 3.14076 3.14373 3.15054 3.16236 3.16957 3.18079 3.19885 3.20459 3.22110 3.22324 3.23858 3.24960 3.25194 3.26066 3.26762 3.28047 3.28936 3.29742 3.30839 3.31784 3.32787 3.33168 3.34561 3.34666 3.35174 3.36015 3.36511 3.37493 3.38130 3.38842 3.40029 3.40117 3.40644 3.41497 3.41807 3.43135 3.43756 3.44148 3.44771 3.44969 3.45628 3.45952 3.47119 3.47564 3.48192 3.48809 3.49071 3.49496 3.49965 3.50624 3.51241 3.51396 3.52058 3.52485 3.53570 3.54792 3.55196 3.55915 3.56398 3.57186 3.57854 3.58952 3.59868 3.60324 3.61462 3.61845 3.62849 3.64102 3.65087 3.66369 3.67067 3.68169 3.70021 3.71122 3.71233 3.75912 3.78001 3.81374 3.82396 3.82864 3.87396 3.90964 3.91959 3.92670 3.92938 3.94532 3.97717 3.98519 3.99747 4.01133 4.02048 4.03498 4.04417 4.04753 4.05474 4.06637 4.07602 4.08863 4.09235 4.10410 4.10830 4.11441 4.12554 4.14634 4.15666 4.16616 4.17343 4.18250 4.20141 4.20762 4.20883 4.21659 4.22202 4.23426 4.24313 4.25272 4.26635 4.27560 4.28535 4.29580 4.30433 4.32249 4.32493 4.33598 4.34796 4.35466 4.35896 4.36055 4.37226 4.38930 4.39386 4.40816 4.42041 4.43918 4.45660 4.47230 4.49130 4.52954 4.62982 4.64256 4.64954 4.65314 4.65873 4.67201 4.67747 4.69246 4.70603 4.72209 4.72630 4.73333 4.74205 4.74874 4.75528 4.76129 4.76855 4.78003 4.78289 4.78970 4.79778 4.81095 4.83524 4.83940 4.85805 4.86444 4.86953 4.87666 4.88400 4.88504 4.89811 4.90581 4.91793 4.92107 4.92743 4.93362 4.94799 4.95628 4.96212 4.96670 4.99060 5.00920 5.01549 5.03121 5.03913 5.04180 5.04570 5.05357 5.06393 5.08368 5.08881 5.09392 5.11337 5.12647 5.13950 5.14282 5.15101 5.15979 5.16574 5.16792 5.17405 5.18622 5.19111 5.19973 5.20246 5.21332 5.22178 5.22733 5.23520 5.24389 5.24732 5.26297 5.27062 5.27853 5.28379 5.28711 5.29241 5.30634 5.30825 5.31179 5.31693 5.32499 5.33201 5.34007 5.34263 5.35563 5.35888 5.36253 5.36443 5.36682 5.37176 5.37825 5.38120 5.38891 5.40161 5.40450 5.40905 5.41451 5.41927 5.43022 5.43743 5.43923 5.44564 5.45287 5.46126 5.46653 5.47330 5.47769 5.48083 5.48429 5.49266 5.49981 5.50919 5.51631 5.53374 5.54760 5.55250 5.55842 5.56600 5.58022 5.58203 5.58768 5.59031 5.59225 5.59516 5.60150 5.60311 5.60913 5.61177 5.61507 5.61798 5.62446 5.63129 5.63526 5.63809 5.64770 5.64926 5.65453 5.65909 5.66865 5.69109 5.71169 5.72003 5.72416 5.73166 5.73703 5.74308 5.75400 5.75710 5.76515 5.77292 5.78476 5.80705 5.81718 5.82646 5.85476 5.86962 5.89447 5.90021 5.90839 5.91945 5.93323 5.94798 5.96691 5.97329 5.99461 6.01467 6.02539 6.04308 6.16312 6.50554 6.51365 6.54393 6.59710 6.61446 6.63061 6.65431 6.65698 6.67736 6.67955 6.72585 6.73194 6.73321 6.76750 6.77584 6.78975 6.82709 6.86116 6.87070 6.91683 6.94349 6.94654 6.96041 6.96717 6.97667 6.98978 6.99111 6.99380 7.00160 7.00268 7.00774 7.01870 7.02440 7.03652 7.04043 7.04442 7.05291 7.06359 7.07812 7.08101 7.08599 7.09091 7.10056 7.11174 7.11784 7.13190 7.13643 7.14550 7.16050 7.16668 7.18936 7.26171 7.33842 7.39336 7.41203 7.46615 7.50184 7.68239 8.06805 8.08301 14.36448 14.36848 14.37416 14.38140 14.38213 14.38480 14.38645 14.38798 14.39097 14.39310 14.39737 14.40011 14.40553 14.40598 14.40840 14.41210 14.41945 14.42276 14.42768 14.42855 14.43013 14.43439 14.44427 14.44696 14.44844 14.45374 14.46067 14.46326 14.46563 14.47083 14.47259 14.47732 14.48243 14.48645 14.50061 14.50367 14.51552 14.52035 14.52495 14.53253 14.55273 14.56475 14.58917 14.61158 14.65433 14.66289 14.67006 14.67783 14.68272 14.68478 14.68546 14.69364 14.69876 14.70492 14.71259 14.72238 14.72749 14.74044 14.75147 14.84370 14.88961 14.99970 15.04807 15.05633 15.06076 15.06177 15.07332 15.07481 15.07643 15.08316 15.08437 15.08979 15.09667 15.09873 15.10563 16.07911 19.36899 19.37940 19.38730 19.39168 19.41069 19.41643 19.42288 19.47312 19.47582 19.48383 19.54280 19.58693 19.61397 19.64445 19.66574 50.00440 50.02200 50.03002 50.03343 50.04006 50.05012 50.06299 50.07145 50.07533 50.08133 50.08661 50.10405 50.11741 50.12467 50.26126 67.00836 67.08180 67.09162 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F 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 1.502807 -0.493681 -0.561037 -0.562999 -1.315124 0.290664 0.566020 -0.658785 0.359020 -0.904535 0.620043 0.290232 0.616042 -0.672504 0.362939 -1.047428 0.530701 -0.800206 0.499044 0.304755 -0.860803 0.409178 0.418190 -0.909725 0.470928 0.429585 -0.760259 0.409733 0.348603 -0.668067 0.355144 0.311366 -0.811372 0.490734 0.292751 -0.929094 0.447164 0.473687 -0.859358 0.399677 0.435946 -0.826612 0.300175 0.547938 -0.883225 0.442064 0.540373 0.438682 0.620628 -0.00000 -5.3078 -4.1526 2.5431 7.2031 -124.8993 -139.6419 -130.8945 -9.9287 21.5738 -1.1596 6.9126 -7.8300 0.9174 -9.9287 21.5738 -1.1596 -111.1637 -180.7161 36.7959 -57.9954 -47.7191 3.5422 7.9747 21.9543 15.4511 -2.2252 -4066.5149 -2725.1151 -1800.7852 -233.2577 393.7652 39.7422 25.0518 128.2129 46.9093 -1061.9571 -1260.1981 -910.5681 -22.8882 89.0090 -107.3147 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-HORCAJUELO LAMSABHI 19-Jul-2024 0 Single Point 15-agua-BF3/ CONF40 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1472.0067563 RMSD=5.806e-09 Dipole=-0.30954,0.311137,2.7997311 Quadrupole=16.9967897,-4.835345,-12.1614448,3.2996841,9.7348678,2.672747 PG=C01 [X(B1F3H30O15)] 0 -0.4733484841 1.862865725 -0.1796841858 0 -1.1503195528 2.4620211625 -1.3031505344 0 0.7666506373 2.529167296 -0.0147692388 0 -1.2785308589 2.129473178 0.9753946563 0 -0.2444402164 0.4647681946 -0.3755406831 0 -4.4094356042 1.639026554 -1.6646961132 0 -0.4574997416 -0.6460899052 1.0460626793 0 -0.8265710131 1.1412611775 -3.8698059649 0 -0.8281244341 1.6005948818 -3.0146241049 0 0.6386276088 -3.0899195661 0.0355736869 0 0.2555555094 -2.8957633982 -0.9059211647 0 -1.6926809885 0.714661361 -3.9058001368 0 0.1259594196 -2.4976255309 0.689936346 0 -3.6521284851 1.4601588853 -2.236369001 0 -2.9217220818 1.9735211104 -1.8545867911 0 -0.629985734 -1.4578758871 1.5725102923 0 -0.2131889652 -1.3111366004 2.4584148141 0 3.088387845 -1.0026752832 2.6497048122 0 2.9696232704 -0.0522109903 2.402460221 0 3.9148559316 -1.0445425047 3.146980424 0 0.588762572 -0.9251126801 3.9406393554 0 0.4042634311 0.0336952511 3.8931334394 0 1.5081956207 -1.0140917323 3.6175388284 0 -0.3848756831 -2.6016786635 -2.249940055 0 0.2058023443 -2.0270610631 -2.7943290258 0 -1.1564139435 -2.0291266907 -2.0485959524 0 2.5234365103 1.5930701763 2.0721175128 0 1.7286014194 1.7218604006 2.6305335636 0 2.1929710507 1.761638701 1.1766756158 0 0.0738272336 1.7836086683 3.4165135712 0 -0.4920954923 1.9370414724 2.6389220567 0 -0.1254792358 2.4960336984 4.0365838975 0 -3.308960829 -1.7583227981 1.0059607656 0 -2.3876267991 -1.7197806036 1.3434010666 0 -3.537551951 -2.6959685011 0.9976028617 0 3.0100735806 -2.1626073498 0.1450182629 0 3.107073403 -1.8201869163 1.0627083004 0 2.8809586038 -1.3525727041 -0.4003267557 0 1.1485798726 -0.8438437399 -3.7145981802 0 1.69374457 -0.5150311963 -2.9719327748 0 0.4592614366 -0.1538445394 -3.8184533413 0 2.2882182744 0.024352249 -1.3234709883 0 2.7661201675 0.8581477397 -1.2298172208 0 1.3831620136 0.1980818594 -0.9702769087 0 -2.4046560937 -0.9037369633 -1.4697416872 0 -2.8313712273 -1.205435158 -0.6379180551 0 -0.9882688967 0.0117019886 -0.8339159252 0 -2.9345798548 -0.1469458073 -1.7982390418 0 1.6166789883 -2.7565638495 0.0651739733