Gaussian 16 GINC-GALAPAGAR LAMSABHI Optimization 14H2OBF3OH CONF100 water EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 91 91 592 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(BF3H29O15)] C1[X(BF3H29O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 307.7972096 -1 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2407,1.3663,-1.5521;.1797,1.1547,-2.9417;1.5847,1.6313,-1.2096;-.5387,2.4861,-1.2159;-.2761,.2265,-.818;-1.2408,3.1872,2.0449;3.3394,-.6192,2.0507;-.4083,-3.0157,-2.6842;.4716,-2.5947,-2.6103;-2.4788,1.9783,2.2816;-1.8414,1.2421,2.2311;-.7185,-3.1358,-1.7638;-2.9101,1.9823,1.4038;-.4846,3.7839,1.8367;-.4807,3.819,.8746;3.3178,-.2975,2.963;2.709,.4522,2.9237;1.9637,-2.4954,3.9827;2.4587,-1.697,3.7023;1.2582,-2.1507,4.5395;-2.1889,-1.1738,-3.5713;-1.5279,-1.8481,-3.2855;-1.6741,-.3638,-3.6422;2.6934,-1.2537,.127;1.9577,-1.7004,.6068;2.3917,-.3436,.0268;-3.5442,2.0024,-.3103;-3.4594,1.0597,-.5476;-2.7597,2.4036,-.6989;-1.4537,-3.2623,-.1203;-.746,-3.0106,.4993;-2.0039,-2.4711,-.211;-.3892,.1279,1.8989;.3633,.7024,2.1404;-.4168,.213,.9208;1.6374,2.0928,2.1356;.9015,2.7475,2.0882;1.9139,1.984,1.2194;.643,-2.3718,1.5591;.2321,-1.5015,1.7575;1.0774,-2.6155,2.404;2.1019,-1.8338,-2.5666;2.3341,-1.6765,-1.6306;1.9092,-.9568,-2.9132;-2.8935,-.682,-.8994;-1.9888,-.3454,-.7535;.1649,-.5984,-1.0521;-2.8682,-.8817,-1.8569; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6521622/Gau-311107.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6521622/" chk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/water/CONF100/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 14H2OBF3OH CONF100 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 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 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 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 -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 1 1 1 1 5 5 5 6 6 7 8 8 8 9 10 10 11 12 13 14 14 16 16 18 18 18 21 21 21 24 24 24 25 27 27 28 30 30 31 33 33 33 34 36 36 39 39 42 42 45 45 2 3 4 5 35 46 47 10 14 16 9 12 22 42 11 13 33 30 27 15 37 17 19 19 20 41 22 23 48 25 26 43 39 28 29 45 31 32 39 34 35 40 36 37 38 40 41 43 44 46 48 1.407 1.412 1.4052 1.4509 1.7445 1.8067 0.9642 1.7464 0.9855 0.9676 0.9782 0.9786 1.7257 1.7997 0.9751 0.9781 1.8602 1.8049 1.8276 0.9628 1.7489 0.9666 1.8009 0.9803 0.9626 1.8144 0.9866 0.9623 1.8671 0.9854 0.964 1.843 1.7567 0.9759 0.963 1.8648 0.9736 0.968 1.8604 0.977 0.9822 1.7497 1.8859 0.9861 0.9632 0.9826 0.9808 0.9771 0.9624 0.9763 0.9784 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 2 3 3 4 1 1 1 35 35 46 9 9 12 6 6 11 6 6 15 7 7 17 19 19 20 22 22 23 25 25 26 13 13 28 12 12 31 11 11 11 34 34 35 33 34 34 37 25 25 25 31 31 40 18 9 9 43 28 28 46 21 1 1 1 1 1 1 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 16 16 16 18 18 18 21 21 21 24 24 24 27 27 27 30 30 30 33 33 33 33 33 33 34 36 36 36 39 39 39 39 39 39 41 42 42 42 45 45 45 48 3 4 5 4 5 5 35 46 47 46 47 47 12 22 22 11 13 13 15 37 37 17 19 19 20 41 41 23 48 48 26 43 43 28 29 29 31 32 32 34 35 40 35 40 40 36 37 38 38 31 40 41 40 41 41 39 43 44 44 46 48 48 45 108.0035 109.3938 111.4747 108.6879 111.3337 107.9013 122.6183 127.1837 112.7233 83.4285 105.8023 99.8712 105.4797 108.582 101.8366 92.9924 100.8466 104.1755 103.666 102.6442 99.327 103.5034 98.0091 108.6064 104.1191 92.9675 99.727 103.7842 94.8579 97.502 104.1813 102.4024 93.2381 100.7974 95.7653 103.5063 105.3861 95.0998 105.1598 101.8304 95.9691 148.1536 102.5186 107.0968 90.5828 162.4037 89.1651 96.4929 104.0985 112.4048 94.8153 103.3321 96.1387 137.3992 103.3782 161.6921 107.8534 101.2535 104.2319 86.0455 112.5259 101.1053 160.0399 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 10 8 10 8 10 16 8 24 27 30 5 14 33 24 5 10 8 10 8 10 16 8 24 27 30 5 14 33 24 5 6 9 11 12 13 19 22 25 28 31 35 37 40 43 46 6 9 11 12 13 19 22 25 28 31 35 37 40 43 46 14 42 33 30 27 18 21 39 45 39 33 36 39 42 45 14 42 33 30 27 18 21 39 45 39 33 36 39 42 45 1 2 4 1 3 5 1 1 1 1 6 1 7 1 8 1 2 4 1 3 5 1 1 1 1 6 1 7 1 8 -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 -2 173.0499 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 180.2169 168.1525 178.1908 174.1701 173.9053 178.7696 178.5264 168.5422 173.7821 185.9625 173.065 176.4338 175.3812 172.6168 182.5593 183.1826 173.1438 173.9817 180.8066 175.177 183.404 185.1417 173.8414 180.9704 185.1258 182.4117 187.4908 179.7 187.9794 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 2 2 2 3 3 3 4 4 4 1 1 1 46 46 46 47 47 47 1 1 35 35 47 47 9 9 12 12 9 9 22 22 12 12 22 22 11 11 13 13 6 6 11 11 6 6 6 13 13 13 6 6 15 15 7 7 17 17 19 20 22 23 26 26 26 43 43 43 25 25 26 26 13 13 29 29 12 12 12 32 32 32 11 35 40 11 11 11 34 34 34 35 35 35 33 33 25 31 40 28 46 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 16 16 16 16 18 18 21 21 24 24 24 24 24 24 24 24 24 24 27 27 27 27 30 30 30 30 30 30 33 33 33 33 33 33 33 33 33 33 33 33 34 34 39 39 39 45 45 5 5 5 5 5 5 5 5 5 33 33 33 33 33 33 33 33 33 45 45 45 45 45 45 21 21 21 21 30 30 30 30 42 42 42 42 14 14 14 14 27 27 27 27 33 33 33 33 33 33 36 36 36 36 18 18 18 18 41 41 48 48 39 39 39 39 39 39 42 42 42 42 45 45 45 45 39 39 39 39 39 39 34 34 34 39 39 39 39 39 39 39 39 39 36 36 41 41 41 48 48 35 46 47 35 46 47 35 46 47 11 34 40 11 34 40 11 34 40 28 48 28 48 28 48 23 48 23 48 31 32 31 32 43 44 43 44 15 37 15 37 28 29 28 29 34 35 40 34 35 40 34 38 34 38 20 41 20 41 39 39 45 45 31 40 41 31 40 41 9 44 9 44 46 48 46 48 25 40 41 25 40 41 36 36 36 25 31 41 25 31 41 25 31 41 37 38 18 18 18 21 21 -176.6059 -68.249 55.185 62.7162 171.0731 -65.4929 -56.4696 51.8874 175.3214 75.4871 -29.0347 -135.7744 -56.4669 -160.9887 92.2717 -155.4577 100.0205 -6.7191 -50.7564 61.7263 78.0597 -169.4576 -176.3758 -63.893 -2.3349 -100.7361 108.1769 9.7757 -7.8121 99.0693 -120.3148 -13.4333 -1.2536 -110.6184 107.9939 -1.3709 88.2796 -13.2273 -16.2601 -117.7669 124.3171 19.7985 29.5322 -74.9864 23.0452 -80.1631 -177.7565 123.0686 19.8603 -77.733 13.2539 109.1241 -92.3707 3.4995 -133.2746 -33.6157 -27.0245 72.6344 -29.021 75.8542 52.6645 -51.9539 86.7365 -11.4247 -115.9321 -9.9275 -108.0887 147.4039 8.6354 114.4538 -96.2841 9.5343 -63.2709 -161.7771 33.3347 -65.1715 9.195 106.2989 -136.1461 -89.0412 8.0627 125.6177 -68.3455 30.5913 125.1336 155.0793 42.5443 -100.9764 -45.9944 -158.5294 57.9499 56.4757 -56.0593 160.42 52.8697 -51.2253 63.135 -150.1035 -35.2044 102.7707 12.4657 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 611 A 592 A 916 611 2079.6655003013 48 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= 592 RedAO= T EigKep= 1.17D-04 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Berny optimization. local minimum Step number 40 out of a maximum of 255 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00054 0.00196 0.00278 0.00304 0.00317 0.00365 0.00408 0.00463 0.00508 0.00539 0.00581 0.00591 0.00625 0.00675 0.00788 0.00871 0.00961 0.01185 0.01201 0.01271 0.01432 0.01603 0.01865 0.02034 0.02134 0.02186 0.02451 0.02726 0.02842 0.03008 0.03207 0.03333 0.03414 0.03694 0.03815 0.03915 0.04121 0.04287 0.04431 0.04502 0.04665 0.04763 0.04954 0.05050 0.05175 0.05270 0.05300 0.05477 0.05538 0.05646 0.05777 0.05881 0.05952 0.05985 0.06067 0.06119 0.06172 0.06262 0.06344 0.06432 0.06508 0.06569 0.06659 0.06720 0.06803 0.06850 0.06927 0.07279 0.07407 0.07547 0.07587 0.07762 0.07910 0.08203 0.08228 0.08475 0.08588 0.08866 0.08982 0.09101 0.09156 0.09443 0.09682 0.09893 0.10124 0.10253 0.10420 0.10961 0.11240 0.11492 0.12115 0.13276 0.14594 0.15091 0.16092 0.16646 0.20384 0.24235 0.25451 0.26292 0.27222 0.28482 0.36217 0.39876 0.42093 0.44003 0.45534 0.46688 0.47391 0.48159 0.48673 0.49559 0.50060 0.50219 0.50661 0.50721 0.51006 0.51170 0.51415 0.51773 0.51848 0.52043 0.52782 0.53193 0.54207 0.54263 0.54762 0.54800 0.54883 0.54928 0.54998 0.55097 0.55442 0.56646 0.58843 0.71690 1.06502 1.71079 -4.35025493e-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 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 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 2.69654 2.71449 2.68363 2.71251 3.33106 3.33915 1.82639 3.46300 1.85660 1.84573 1.85320 1.85480 3.40677 3.43760 1.84942 1.85245 3.53198 3.43682 3.49840 1.83171 3.45380 1.83510 3.44188 1.85698 1.82363 3.47283 1.86037 1.82965 3.68612 1.85938 1.83358 3.60072 3.44406 1.84592 1.83238 3.63117 1.84931 1.84167 3.47543 1.84861 1.85808 3.45420 3.61547 1.85855 1.83174 1.85363 1.85384 1.84727 1.83149 1.85531 1.84722 1.87060 1.90024 1.95289 1.88609 1.94841 1.90383 2.06228 2.21078 1.95716 1.55872 1.85334 1.75776 1.83693 1.69563 1.75567 1.58997 1.66956 1.81770 1.80379 1.77794 1.66889 1.80436 1.67791 2.02216 1.83786 1.61725 1.91811 1.80984 1.62629 1.69179 1.83186 1.71187 1.52084 1.81237 1.67587 1.80346 1.84054 1.68420 1.84006 1.78592 1.61076 2.64875 1.78433 1.84675 1.46839 2.78890 1.54693 1.68094 1.79448 1.97702 1.67623 1.73601 1.77757 2.36515 1.81150 2.82923 1.89726 1.74332 1.81705 1.41548 1.87034 1.76315 2.68799 2.95582 3.01918 2.93090 3.09432 2.99766 3.01371 3.05568 3.18009 2.82392 3.04754 3.28768 2.88925 3.08811 2.96418 2.97767 3.17436 3.21463 3.06989 3.03816 3.19864 2.95586 3.17318 3.24654 3.04765 3.17489 3.26433 3.16103 3.34024 3.13704 3.21609 3.10869 -1.21232 0.94451 1.01221 2.97439 -1.15197 -1.07091 0.89127 3.04810 1.33798 -0.48513 -2.30295 -1.00458 -2.82769 1.63767 -2.77299 1.68708 -0.13074 -0.91905 0.94613 1.31659 -3.10141 -3.10302 -1.23783 -0.22283 -1.92136 1.63792 -0.06061 -0.20898 1.66769 -1.94562 -0.06895 0.24928 -1.63619 2.02565 0.14018 1.38168 -0.30957 -0.43476 -2.12601 2.26114 0.43542 0.66934 -1.15638 0.46531 -1.31976 -2.62293 2.11737 0.33230 -0.97087 0.29914 1.97388 -1.51254 0.16221 -2.64227 -0.71407 -0.78957 1.13863 -0.14844 1.72472 1.19288 -0.62609 1.40695 -0.43753 -2.26488 -0.16812 -2.01259 2.44325 -0.08608 1.71496 -1.90685 -0.10581 -1.13918 -2.83125 0.54477 -1.14730 0.26689 2.03383 -2.06180 -1.47827 0.28867 2.47623 -1.31758 0.34256 1.86603 2.35500 0.37099 -2.18069 -0.72063 -2.70465 1.02687 1.02726 -0.95675 2.77476 1.07523 -0.71799 0.89298 -2.98423 -0.82918 1.62914 0.16332 0.00010 0.00002 0.00001 -0.00004 -0.00003 0.00001 0.00001 -0.00001 0.00004 -0.00002 -0.00000 0.00001 -0.00001 0.00002 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00002 -0.00002 0.00000 -0.00001 0.00002 0.00000 0.00000 -0.00003 0.00001 -0.00000 -0.00001 0.00002 0.00000 -0.00002 -0.00002 0.00003 -0.00001 0.00000 0.00000 -0.00000 -0.00004 -0.00002 -0.00002 0.00001 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00002 -0.00002 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00003 -0.00002 0.00004 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00003 0.00000 -0.00000 0.00000 -0.00003 0.00002 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00002 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00002 -0.00000 0.00002 0.00002 -0.00002 -0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00004 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00002 0.00001 -0.00001 0.00002 0.00003 0.00002 0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00003 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00002 0.00002 0.00001 -0.00001 -0.00002 -0.00022 0.00003 -0.00025 -0.00002 0.00000 -0.00010 -0.00002 -0.00030 -0.00003 0.00006 -0.00004 0.00004 0.00033 0.00041 0.00003 -0.00009 -0.00060 -0.00009 0.00081 -0.00003 0.00045 -0.00008 -0.00026 -0.00014 -0.00004 0.00015 -0.00005 -0.00002 -0.00080 -0.00004 -0.00002 0.00041 0.00001 0.00001 -0.00005 -0.00077 -0.00005 0.00004 -0.00008 0.00005 -0.00003 0.00024 -0.00043 -0.00008 0.00001 0.00010 0.00007 -0.00002 -0.00000 0.00006 0.00001 -0.00005 0.00013 -0.00007 0.00003 0.00003 -0.00005 0.00002 0.00007 0.00018 -0.00019 -0.00004 -0.00011 -0.00014 0.00036 -0.00013 -0.00019 -0.00008 -0.00007 0.00001 0.00017 -0.00050 -0.00000 -0.00003 0.00021 -0.00003 0.00038 0.00103 -0.00011 0.00040 -0.00001 -0.00006 -0.00020 -0.00033 0.00053 -0.00028 -0.00004 -0.00032 -0.00035 -0.00012 0.00005 0.00024 -0.00005 -0.00005 0.00003 -0.00053 0.00046 -0.00012 -0.00037 -0.00002 0.00055 0.00020 0.00015 -0.00026 -0.00045 -0.00007 -0.00019 -0.00017 -0.00042 0.00001 0.00023 0.00017 -0.00004 0.00045 -0.00035 -0.00071 0.00038 0.00032 -0.00028 -0.00051 -0.00039 -0.00005 -0.00004 -0.00009 -0.00028 -0.00012 -0.00025 0.00022 -0.00049 0.00010 0.00068 0.00011 0.00003 0.00013 0.00041 0.00018 0.00008 -0.00070 0.00024 0.00015 0.00017 -0.00018 0.00029 0.00044 -0.00032 -0.00054 -0.00044 -0.00023 -0.00044 -0.00034 -0.00024 -0.00046 -0.00036 0.00029 0.00025 0.00023 0.00035 0.00031 0.00030 0.00049 0.00045 0.00043 0.00001 0.00023 0.00005 0.00027 -0.00001 0.00021 0.00005 0.00004 -0.00007 -0.00009 0.00052 0.00025 0.00014 -0.00014 0.00006 0.00034 -0.00012 0.00016 -0.00106 -0.00053 -0.00098 -0.00044 -0.00005 0.00003 0.00020 0.00028 -0.00004 -0.00005 0.00038 -0.00012 -0.00014 0.00029 0.00066 0.00027 0.00075 0.00036 -0.00103 0.00012 -0.00107 0.00008 0.00110 0.00139 0.00025 0.00030 -0.00046 -0.00039 -0.00037 -0.00006 0.00002 0.00004 -0.00017 -0.00064 -0.00011 -0.00058 0.00044 0.00052 0.00017 0.00025 -0.00003 0.00025 -0.00059 0.00051 0.00079 -0.00005 0.00045 0.00070 0.00014 -0.00004 -0.00064 0.00015 0.00050 -0.00010 0.00069 0.00035 -0.00025 0.00054 -0.00060 -0.00057 -0.00152 -0.00079 -0.00176 0.00023 -0.00003 0.00024 0.00005 0.00009 -0.00006 -0.00026 0.00015 0.00001 -0.00015 0.00006 -0.00005 0.00001 0.00001 -0.00011 0.00023 -0.00000 0.00003 0.00011 -0.00001 -0.00011 0.00003 0.00004 0.00004 -0.00002 0.00008 0.00003 0.00008 0.00001 0.00002 -0.00014 0.00004 0.00002 -0.00002 -0.00040 0.00002 0.00002 -0.00014 0.00005 -0.00001 -0.00010 -0.00003 0.00007 0.00003 0.00013 0.00003 0.00001 -0.00006 -0.00006 -0.00000 0.00001 -0.00003 0.00001 -0.00001 -0.00006 0.00003 0.00002 -0.00001 0.00003 0.00002 0.00006 -0.00010 -0.00008 0.00008 0.00004 0.00004 0.00001 0.00012 -0.00023 -0.00030 -0.00002 0.00001 -0.00020 -0.00008 0.00005 0.00007 -0.00012 0.00005 -0.00005 -0.00001 0.00010 -0.00005 0.00008 0.00002 0.00010 0.00004 -0.00008 0.00004 0.00003 0.00011 0.00002 0.00006 -0.00002 0.00009 0.00001 -0.00004 0.00002 -0.00021 0.00009 0.00009 0.00004 0.00002 -0.00007 -0.00004 0.00010 -0.00009 0.00001 0.00007 -0.00009 -0.00001 0.00001 -0.00003 0.00007 -0.00013 0.00006 0.00014 0.00044 0.00014 0.00002 -0.00042 0.00045 0.00011 0.00010 -0.00008 0.00044 0.00004 -0.00021 -0.00014 -0.00001 -0.00003 0.00025 -0.00021 -0.00004 0.00021 0.00018 -0.00018 -0.00024 0.00019 -0.00019 0.00009 -0.00034 0.00011 -0.00001 -0.00023 -0.00016 0.00014 0.00008 0.00004 0.00004 0.00008 0.00004 0.00004 0.00004 -0.00000 -0.00000 -0.00019 -0.00014 -0.00018 -0.00021 -0.00016 -0.00019 -0.00024 -0.00020 -0.00023 0.00021 0.00006 0.00014 -0.00001 0.00022 0.00007 0.00035 0.00029 0.00042 0.00036 -0.00022 -0.00017 -0.00020 -0.00015 0.00001 0.00002 0.00017 0.00018 0.00006 0.00010 0.00008 0.00013 -0.00043 -0.00050 -0.00019 -0.00027 -0.00009 -0.00007 0.00022 -0.00040 -0.00038 -0.00009 -0.00023 -0.00018 -0.00020 -0.00015 -0.00014 -0.00013 -0.00007 -0.00006 0.00023 0.00026 0.00001 -0.00009 0.00023 0.00036 0.00027 0.00019 0.00032 0.00023 -0.00006 -0.00006 -0.00007 -0.00007 0.00020 0.00004 0.00030 0.00015 0.00006 -0.00006 -0.00020 -0.00004 -0.00016 -0.00030 0.00049 0.00058 0.00035 0.00010 0.00017 0.00021 0.00022 0.00029 0.00033 0.00015 0.00022 0.00026 -0.00032 -0.00035 0.00010 0.00014 0.00010 -0.00029 -0.00036 0.00002 0.00008 -0.00016 -0.00007 -0.00026 0.00005 -0.00001 -0.00044 0.00003 0.00001 -0.00004 0.00005 0.00022 0.00064 0.00003 -0.00007 -0.00049 -0.00010 0.00070 0.00000 0.00049 -0.00004 -0.00028 -0.00006 -0.00001 0.00023 -0.00005 0.00000 -0.00094 -0.00001 -0.00000 0.00039 -0.00039 0.00003 -0.00003 -0.00092 -0.00000 0.00003 -0.00018 0.00002 0.00004 0.00027 -0.00030 -0.00005 0.00001 0.00004 0.00001 -0.00002 0.00001 0.00002 0.00002 -0.00006 0.00007 -0.00005 0.00005 0.00002 -0.00002 0.00004 0.00013 0.00008 -0.00027 0.00004 -0.00007 -0.00010 0.00036 -0.00001 -0.00041 -0.00038 -0.00009 0.00002 -0.00003 -0.00058 0.00005 0.00004 0.00008 0.00002 0.00033 0.00103 -0.00001 0.00035 0.00007 -0.00003 -0.00010 -0.00029 0.00046 -0.00023 -0.00000 -0.00022 -0.00033 -0.00006 0.00003 0.00033 -0.00004 -0.00009 0.00004 -0.00073 0.00055 -0.00003 -0.00034 0.00001 0.00048 0.00016 0.00024 -0.00034 -0.00043 -0.00000 -0.00028 -0.00018 -0.00042 -0.00002 0.00030 0.00004 0.00002 0.00059 0.00009 -0.00057 0.00041 -0.00010 0.00017 -0.00040 -0.00029 -0.00013 0.00040 -0.00005 -0.00049 -0.00026 -0.00026 0.00019 -0.00024 -0.00011 0.00064 0.00033 0.00021 -0.00005 0.00017 0.00037 -0.00010 -0.00061 -0.00010 0.00026 0.00016 -0.00041 0.00013 0.00059 -0.00024 -0.00050 -0.00040 -0.00014 -0.00040 -0.00030 -0.00020 -0.00046 -0.00036 0.00010 0.00010 0.00005 0.00015 0.00016 0.00010 0.00024 0.00025 0.00020 0.00022 0.00029 0.00018 0.00026 0.00021 0.00028 0.00041 0.00033 0.00035 0.00027 0.00030 0.00008 -0.00007 -0.00028 0.00007 0.00035 0.00005 0.00033 -0.00100 -0.00042 -0.00089 -0.00031 -0.00048 -0.00048 0.00000 0.00000 -0.00013 -0.00012 0.00059 -0.00052 -0.00051 0.00020 0.00043 0.00009 0.00055 0.00021 -0.00117 -0.00001 -0.00114 0.00002 0.00133 0.00165 0.00026 0.00022 -0.00024 -0.00003 -0.00009 0.00013 0.00033 0.00027 -0.00023 -0.00070 -0.00019 -0.00065 0.00063 0.00057 0.00046 0.00040 0.00003 0.00018 -0.00079 0.00047 0.00063 -0.00034 0.00095 0.00128 0.00049 0.00005 -0.00047 0.00036 0.00072 0.00019 0.00102 0.00050 -0.00003 0.00080 -0.00092 -0.00092 -0.00143 -0.00065 -0.00166 -0.00007 -0.00039 2.69656 2.71457 2.68347 2.71244 3.33080 3.33920 1.82638 3.46256 1.85663 1.84575 1.85317 1.85484 3.40699 3.43824 1.84945 1.85238 3.53149 3.43671 3.49910 1.83171 3.45429 1.83506 3.44160 1.85692 1.82361 3.47306 1.86032 1.82965 3.68518 1.85937 1.83358 3.60110 3.44367 1.84596 1.83235 3.63026 1.84930 1.84171 3.47526 1.84863 1.85812 3.45446 3.61517 1.85850 1.83176 1.85367 1.85385 1.84725 1.83150 1.85533 1.84724 1.87054 1.90031 1.95285 1.88614 1.94843 1.90380 2.06232 2.21091 1.95724 1.55845 1.85338 1.75769 1.83683 1.69599 1.75567 1.58956 1.66918 1.81761 1.80381 1.77791 1.66832 1.80441 1.67795 2.02225 1.83788 1.61757 1.91914 1.80983 1.62664 1.69186 1.83183 1.71177 1.52056 1.81283 1.67564 1.80346 1.84032 1.68387 1.84000 1.78596 1.61109 2.64871 1.78424 1.84680 1.46766 2.78945 1.54690 1.68060 1.79448 1.97750 1.67640 1.73625 1.77723 2.36472 1.81150 2.82895 1.89708 1.74291 1.81703 1.41578 1.87038 1.76317 2.68858 2.95591 3.01861 2.93131 3.09423 2.99783 3.01331 3.05539 3.17996 2.82432 3.04749 3.28719 2.88900 3.08784 2.96437 2.97743 3.17425 3.21528 3.07022 3.03836 3.19860 2.95603 3.17355 3.24643 3.04704 3.17479 3.26459 3.16119 3.33983 3.13717 3.21667 3.10845 -1.21282 0.94411 1.01206 2.97399 -1.15227 -1.07111 0.89081 3.04774 1.33808 -0.48502 -2.30290 -1.00443 -2.82753 1.63777 -2.77275 1.68733 -0.13054 -0.91884 0.94642 1.31678 -3.10115 -3.10281 -1.23755 -0.22242 -1.92104 1.63828 -0.06034 -0.20868 1.66777 -1.94568 -0.06923 0.24935 -1.63584 2.02570 0.14051 1.38067 -0.30999 -0.43565 -2.12632 2.26066 0.43494 0.66935 -1.15638 0.46518 -1.31987 -2.62234 2.11685 0.33179 -0.97067 0.29958 1.97397 -1.51198 0.16241 -2.64344 -0.71408 -0.79071 1.13865 -0.14711 1.72637 1.19314 -0.62587 1.40671 -0.43756 -2.26497 -0.16799 -2.01226 2.44352 -0.08632 1.71426 -1.90704 -0.10646 -1.13855 -2.83069 0.54523 -1.14690 0.26692 2.03402 -2.06258 -1.47780 0.28930 2.47588 -1.31663 0.34384 1.86652 2.35505 0.37051 -2.18033 -0.71991 -2.70445 1.02789 1.02776 -0.95678 2.77556 1.07432 -0.71891 0.89155 -2.98488 -0.83085 1.62907 0.16293 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000096 0.000014 0.001731 0.000363 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.130935e-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 1 1 1 1 5 5 5 6 6 7 8 8 8 9 10 10 11 12 13 14 14 16 16 18 18 18 21 21 21 24 24 24 25 27 27 28 30 30 31 33 33 33 34 36 36 39 39 42 42 45 45 2 3 4 5 35 46 47 10 14 16 9 12 22 42 11 13 33 30 27 15 37 17 19 19 20 41 22 23 48 25 26 43 39 28 29 45 31 32 39 34 35 40 36 37 38 40 41 43 44 46 48 1.4269 1.4364 1.4201 1.4354 1.7627 1.767 0.9665 1.8325 0.9825 0.9767 0.9807 0.9815 1.8028 1.8191 0.9787 0.9803 1.869 1.8187 1.8513 0.9693 1.8277 0.9711 1.8214 0.9827 0.965 1.8377 0.9845 0.9682 1.9506 0.9839 0.9703 1.9054 1.8225 0.9768 0.9697 1.9215 0.9786 0.9746 1.8391 0.9782 0.9833 1.8279 1.9132 0.9835 0.9693 0.9809 0.981 0.9775 0.9692 0.9818 0.9775 -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 2 2 2 3 3 4 1 1 1 35 35 46 9 9 12 6 6 11 6 6 15 7 7 17 19 19 20 22 22 23 25 25 26 13 13 28 12 12 31 11 11 11 34 34 35 33 34 34 37 25 25 25 31 31 40 18 9 9 43 28 28 46 21 1 1 1 1 1 1 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 16 16 16 18 18 18 21 21 21 24 24 24 27 27 27 30 30 30 33 33 33 33 33 33 34 36 36 36 39 39 39 39 39 39 41 42 42 42 45 45 45 48 3 4 5 4 5 5 35 46 47 46 47 47 12 22 22 11 13 13 15 37 37 17 19 19 20 41 41 23 48 48 26 43 43 28 29 29 31 32 32 34 35 40 35 40 40 36 37 38 38 31 40 41 40 41 41 39 43 44 44 46 48 48 45 107.1777 108.8759 111.8926 108.0652 111.6355 109.0813 118.1601 126.6685 112.1371 89.3081 106.1887 100.7122 105.2486 97.1523 100.5926 91.0988 95.6589 104.1468 103.3493 101.8685 95.6206 103.3822 96.1373 115.8615 105.3014 92.6614 109.8997 103.696 93.1793 96.9322 104.9581 98.0826 87.1378 103.8412 96.0204 103.3306 105.4551 96.4975 105.4277 102.3259 92.2897 151.7623 102.2346 105.8112 84.1325 159.7922 88.6328 96.3109 102.816 113.2749 96.0411 99.4659 101.847 135.5132 103.7914 162.1032 108.7051 99.8851 104.1092 81.1013 107.1629 101.0209 154.0105 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 10 8 10 8 10 16 8 24 27 30 5 14 33 24 5 10 8 10 8 10 16 8 24 27 30 5 14 33 24 6 9 11 12 13 19 22 25 28 31 35 37 40 43 46 6 9 11 12 13 19 22 25 28 31 35 37 40 43 14 42 33 30 27 18 21 39 45 39 33 36 39 42 45 14 42 33 30 27 18 21 39 45 39 33 36 39 42 1 2 4 1 3 5 1 1 1 1 6 1 7 1 8 1 2 4 1 3 5 1 1 1 1 6 1 7 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 -2 169.3562 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 172.986 167.9283 177.2916 171.7532 172.6727 175.0775 182.2058 161.7985 174.6113 188.3703 165.542 176.9355 169.835 170.6081 181.8773 184.185 175.8917 174.0735 183.2689 169.3584 181.81 186.013 174.6177 181.9077 187.0324 181.1134 191.3815 179.7392 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 2 2 2 3 3 3 4 4 4 1 1 1 46 46 46 47 47 47 1 1 35 35 47 47 9 9 12 12 9 9 22 22 12 12 22 22 11 11 13 13 6 6 11 11 6 6 6 13 13 13 6 6 15 15 7 7 17 17 19 20 22 23 26 26 26 43 43 43 25 25 26 26 13 13 29 29 12 12 12 32 32 32 11 35 40 11 11 11 34 34 34 35 35 35 33 33 25 31 40 28 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 16 16 16 16 18 18 21 21 24 24 24 24 24 24 24 24 24 24 27 27 27 27 30 30 30 30 30 30 33 33 33 33 33 33 33 33 33 33 33 33 34 34 39 39 39 45 5 5 5 5 5 5 5 5 5 33 33 33 33 33 33 33 33 33 45 45 45 45 45 45 21 21 21 21 30 30 30 30 42 42 42 42 14 14 14 14 27 27 27 27 33 33 33 33 33 33 36 36 36 36 18 18 18 18 41 41 48 48 39 39 39 39 39 39 42 42 42 42 45 45 45 45 39 39 39 39 39 39 34 34 34 39 39 39 39 39 39 39 39 39 36 36 41 41 41 48 35 46 47 35 46 47 35 46 47 11 34 40 11 34 40 11 34 40 28 48 28 48 28 48 23 48 23 48 31 32 31 32 43 44 43 44 15 37 15 37 28 29 28 29 34 35 40 34 35 40 34 38 34 38 20 41 20 41 39 39 45 45 31 40 41 31 40 41 9 44 9 44 46 48 46 48 25 40 41 25 40 41 36 36 36 25 31 41 25 31 41 25 31 41 37 38 18 18 18 21 178.1146 -69.4608 54.1164 57.9952 170.4198 -66.0031 -61.3587 51.0659 174.643 76.6608 -27.7957 -131.9494 -57.5582 -162.0147 93.8316 -158.8807 96.6628 -7.4909 -52.6579 54.2093 75.4352 -177.6976 -177.7898 -70.9226 -12.7672 -110.0859 93.8462 -3.4726 -11.9735 95.5517 -111.4756 -3.9504 14.2827 -93.7468 116.0611 8.0316 79.1642 -17.7372 -24.9098 -121.8112 129.5536 24.9476 38.3504 -66.2556 26.6604 -75.6165 -150.283 121.3166 19.0396 -55.6269 17.1395 113.0952 -86.662 9.2937 -151.391 -40.9131 -45.2392 65.2387 -8.5052 98.8194 68.3471 -35.8722 80.6121 -25.0686 -129.7679 -9.6324 -115.313 139.9877 -4.9321 98.2598 -109.2546 -6.0627 -65.2704 -162.2189 31.2133 -65.7353 15.2917 116.53 -118.1323 -84.6987 16.5396 141.8773 -75.4918 19.6273 106.9155 134.9315 21.256 -124.9442 -41.2893 -154.9648 58.835 58.8576 -54.8179 158.9819 61.6063 -41.1378 51.1638 -170.9837 -47.5088 93.3428 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0592968004 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 0 307.7972096 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2407,1.3663,-1.5521;.1797,1.1547,-2.9417;1.5847,1.6313,-1.2096;-.5387,2.486,-1.2159;-.2761,.2265,-.818;-1.2408,3.1872,2.0449;3.3394,-.6192,2.0507;-.4083,-3.0157,-2.6842;.4716,-2.5947,-2.6103;-2.4788,1.9783,2.2816;-1.8414,1.2421,2.2311;-.7185,-3.1358,-1.7639;-2.9102,1.9823,1.4038;-.4846,3.7839,1.8367;-.4807,3.819,.8746;3.3178,-.2975,2.963;2.709,.4522,2.9237;1.9637,-2.4954,3.9827;2.4587,-1.697,3.7023;1.2582,-2.1507,4.5395;-2.1889,-1.1738,-3.5713;-1.5279,-1.8481,-3.2855;-1.6741,-.3638,-3.6422;2.6934,-1.2537,.127;1.9577,-1.7004,.6068;2.3917,-.3436,.0268;-3.5441,2.0024,-.3103;-3.4595,1.0597,-.5476;-2.7597,2.4035,-.6989;-1.4537,-3.2623,-.1203;-.7461,-3.0106,.4993;-2.0039,-2.4711,-.211;-.3892,.1279,1.8989;.3633,.7024,2.1404;-.4168,.213,.9208;1.6374,2.0928,2.1356;.9015,2.7475,2.0882;1.9139,1.984,1.2194;.643,-2.3718,1.5591;.2321,-1.5015,1.7575;1.0774,-2.6155,2.404;2.1019,-1.8338,-2.5666;2.3341,-1.6765,-1.6306;1.9093,-.9568,-2.9132;-2.8935,-.682,-.8994;-1.9888,-.3454,-.7535;.1649,-.5984,-1.0521;-2.8682,-.8817,-1.8569; 0.000000 1.406983 0.000000 1.411952 2.280618 0.000000 1.405155 2.295004 2.288990 0.000000 1.450924 2.362092 2.364186 2.309327 0.000000 4.295198 5.569109 4.582122 3.408413 4.229962 0.000000 5.150120 6.168841 4.332844 5.945853 4.692172 5.955378 0.000000 4.572169 4.219485 5.266960 5.695785 3.743234 7.844296 6.496783 0.000000 4.106373 3.775257 4.589079 5.364580 3.424949 7.617943 5.818274 0.978242 0.000000 4.739949 5.918478 5.368457 4.031608 4.186643 1.746422 6.375832 7.340686 7.317604 0.000000 4.320018 5.554251 4.871067 3.889178 3.574667 2.044169 5.507907 6.658998 6.596177 0.975107 0.000000 4.608050 4.539016 5.323274 5.651383 3.520717 7.399994 6.111534 0.978624 1.557460 6.754146 6.032126 0.000000 4.364004 5.395848 5.211168 3.569314 3.867470 2.156266 6.800210 6.924633 6.964026 0.978070 1.540966 6.405663 0.000000 4.225545 5.494346 4.265695 3.317545 4.443733 0.985522 5.835792 8.165772 7.834375 2.726693 2.908117 7.803998 3.052296 0.000000 3.524941 4.700970 3.660050 2.480014 3.976594 1.531842 5.972786 7.706091 7.361192 3.059428 3.214319 7.442329 3.091236 0.962777 0.000000 5.711621 6.842700 4.912746 6.331245 5.242802 5.810934 0.967597 7.291362 6.666362 6.264515 5.433530 6.833099 6.812945 5.690816 5.977977 0.000000 5.192285 6.425985 4.442775 5.640933 4.791850 4.883952 1.519003 7.293320 6.701852 5.445563 4.670048 6.826037 6.018793 4.741402 5.070317 0.966611 0.000000 6.965238 8.028256 6.643271 7.622482 5.955827 6.805545 3.024059 7.095422 6.760504 6.530198 5.613887 6.373952 7.103171 7.073148 7.450313 2.775569 3.219532 0.000000 6.473952 7.580863 5.997412 7.118434 5.622509 6.347392 2.159870 7.123675 6.678638 6.317114 5.412414 6.484134 6.902604 6.495012 6.860285 1.800892 2.299649 0.980290 0.000000 7.107147 8.249676 6.889288 7.606122 6.058701 6.400083 3.587572 7.463760 7.206675 6.009333 5.142712 6.679088 6.655055 6.749993 7.217544 3.187690 3.389827 0.962590 1.532291 0.000000 4.053682 3.380574 5.261711 4.654588 3.633189 7.173458 7.904200 2.711063 3.165491 6.654006 6.294810 3.046074 5.935692 7.531962 6.900157 8.590048 8.295640 8.720868 8.647530 8.866906 0.000000 4.057743 3.471451 5.109162 4.903742 3.458226 7.338229 7.326349 1.725691 2.238495 6.821859 6.330868 2.151403 6.210628 7.684126 7.107720 8.057838 7.861047 8.089264 8.046430 8.311674 0.986609 0.000000 3.320900 2.496599 4.529598 3.911189 3.206048 6.718619 7.590079 3.090690 3.262721 6.420559 6.091111 3.482167 5.700303 6.974026 6.270688 8.279628 7.936472 8.712973 8.532263 8.873065 0.962335 1.533600 0.000000 3.962167 4.640642 3.367319 5.122056 3.449870 6.235180 2.126218 4.541785 3.771913 6.468323 5.587483 4.331094 6.595544 6.196841 6.030450 3.057370 3.275973 4.115910 3.610367 4.725958 6.125340 5.460480 5.837211 0.000000 4.124695 4.889220 3.812972 5.203920 3.276075 6.015587 2.272283 4.261258 3.654832 6.001689 5.072437 3.852532 6.155766 6.128311 6.040036 3.061081 3.250629 3.468271 3.135859 4.019760 5.909939 5.226871 5.747151 0.985397 0.000000 3.169142 3.993768 2.465866 4.259013 2.855896 5.452958 2.251712 4.725442 3.963408 5.847852 5.029163 4.547123 5.951137 5.346625 5.128124 3.079150 3.020905 4.523507 3.917343 4.991461 5.883667 5.347710 5.476573 0.963951 1.538061 0.000000 4.033876 4.637904 5.220271 3.175928 3.753917 3.500816 7.734986 6.375778 6.523010 2.802341 3.152109 6.041450 1.827631 4.140527 3.753469 7.942953 7.208538 8.306401 8.113052 7.989452 4.749691 5.267276 4.494191 7.049824 6.694935 6.391588 0.000000 3.846351 4.357083 5.119382 3.318389 3.301665 4.021146 7.469530 5.521147 5.749961 3.132044 3.220609 5.156985 2.227277 4.685744 4.302274 7.752263 7.104099 7.910287 7.790139 7.644697 3.968067 4.436483 3.845798 6.607858 6.188371 6.044471 0.975857 0.000000 3.287283 3.902527 4.441878 2.281793 3.304818 3.232520 7.341343 6.232043 6.251126 3.023687 3.282771 5.998774 2.149688 3.675663 3.110142 7.592145 6.843707 8.259941 7.963474 8.020278 4.623199 5.126856 4.183256 6.617608 6.387522 5.883066 0.962981 1.522689 0.000000 5.132718 5.489808 5.862191 5.922913 3.747654 6.806544 5.888342 2.779799 3.217557 5.855224 5.095957 1.804933 5.652422 7.376891 7.216764 6.408098 6.355404 5.394550 5.689400 5.504874 4.100238 3.467514 4.566570 4.614479 3.821677 4.829833 5.667769 4.783848 5.843124 0.000000 4.933453 5.481517 5.468067 5.761770 3.526287 6.406732 4.981624 3.201365 3.365320 5.573876 4.720626 2.266765 5.516385 6.929868 6.845088 5.472281 5.459512 4.443254 4.717585 4.591292 4.693114 4.035694 5.001849 3.880063 3.006362 4.145072 5.797865 5.002564 5.899418 0.973617 0.000000 4.643530 5.036959 5.541180 5.265903 3.260456 6.139031 6.090654 2.993168 3.449634 5.122086 4.447266 2.122599 4.823029 6.754794 6.562358 6.566586 6.370551 5.773241 5.985735 5.771656 3.606736 3.172807 4.040060 4.864236 4.117884 4.889220 4.732294 3.833818 4.956934 0.967999 1.542039 0.000000 3.720171 4.980919 3.977345 3.909626 2.721061 3.178904 3.805739 5.557693 5.337321 2.817187 1.860219 4.916976 3.168425 3.657778 3.831677 3.880119 3.279351 4.093921 3.833235 3.857313 5.903956 5.663865 5.709334 3.814583 3.243543 3.385400 4.283431 4.034836 4.188776 4.087053 3.454970 3.716758 0.000000 3.753625 5.105443 3.684671 3.906359 3.063847 2.959157 3.257521 6.139690 5.783696 3.118577 2.271607 5.580767 3.591153 3.210503 3.468153 3.225760 2.485620 4.022569 3.547922 3.833633 6.531205 6.286587 6.222967 3.648147 3.266090 3.110574 4.792069 4.686818 4.550614 4.912280 4.208324 4.604760 0.977019 0.000000 2.806677 4.020137 3.248993 3.122015 1.744541 3.284518 4.009750 4.839520 4.597976 3.036384 2.192061 4.302724 3.095216 3.687127 3.606856 4.287017 3.720099 4.730481 4.433274 4.635495 5.024208 4.814119 4.768057 3.529098 3.065631 2.999495 3.807599 3.482926 3.593141 3.773190 3.267719 3.317332 0.982197 1.528165 0.000000 4.009646 5.365060 3.377293 4.015309 3.983535 3.080578 3.202963 7.315225 6.771673 4.120383 3.582569 6.935053 4.607398 2.729881 3.009363 3.036803 2.112086 4.956812 4.182405 4.891850 7.607881 7.412027 7.098141 4.043372 4.102295 3.309439 5.730520 5.851912 5.240689 6.581886 5.865454 6.292500 2.832680 1.885935 3.037940 0.000000 3.949191 5.325253 3.548021 3.613850 4.023508 2.187370 4.156860 7.596475 7.127431 3.472078 3.132080 7.216429 3.947483 1.748928 2.128727 3.984486 3.038641 5.674972 4.978411 5.488947 7.547006 7.476534 7.010809 4.802827 4.805691 4.003205 5.106028 5.367880 4.614124 6.822189 6.196387 6.400165 2.926426 2.115420 3.086153 0.986128 0.000000 3.295797 4.583700 2.476491 3.492629 3.469356 3.475838 3.082159 6.754883 6.140995 4.519327 3.959326 6.484033 4.827619 3.061697 3.036532 3.196325 2.425479 5.263388 4.473477 5.343120 7.053786 6.842925 6.482389 3.504828 3.735315 2.658698 5.668421 5.731504 5.069350 6.376488 5.704437 6.102797 3.035026 2.212517 2.942435 0.963158 1.537155 0.000000 4.879991 5.736548 4.957524 5.718006 3.639547 5.889520 3.253229 4.418825 4.178949 5.402825 4.436622 3.671484 5.622000 6.264287 6.329074 3.664407 3.755681 2.762820 2.888829 3.051217 5.981317 5.334515 6.037757 2.739537 1.756707 3.085332 6.337228 5.748323 6.283324 2.830124 1.860359 3.185863 2.725699 3.141061 2.865623 4.610175 5.153034 4.550116 0.000000 4.379251 5.398238 4.521926 5.033526 3.142869 4.923042 3.243356 4.736222 4.508920 4.442204 3.471509 3.996832 4.704933 5.334465 5.440247 3.524798 3.363321 2.989555 2.962802 3.035401 5.862177 5.352516 5.838226 2.962710 2.083560 2.999981 5.551036 5.049881 5.498585 3.077070 2.194832 3.132940 1.749668 2.240763 2.015195 3.877800 4.314164 3.907335 0.982556 0.000000 5.674993 6.602828 5.599228 6.460793 4.504485 6.258933 3.037578 5.315811 5.050891 5.810716 4.840479 4.568066 6.167721 6.611725 6.794874 3.271880 3.513319 1.814439 2.106495 2.192930 6.960730 6.304494 7.014100 3.106624 2.200590 3.541226 7.074696 6.542318 7.038592 3.632725 2.666284 4.044000 3.151604 3.404087 3.526082 4.749151 5.375219 4.822776 0.980795 1.540561 0.000000 3.838427 3.573012 3.757069 5.240051 3.599604 7.592724 4.932169 2.777060 1.799681 7.682404 6.930215 3.208499 7.446266 7.591987 7.103940 5.866463 5.978078 6.584078 6.280560 7.163030 4.455984 3.700306 4.192361 2.818087 3.179431 3.005034 7.189256 6.586128 6.714012 4.546129 4.346895 4.776264 5.476764 5.622281 4.763958 6.143653 6.640532 5.380036 4.409030 4.722748 5.135001 0.000000 3.694137 3.791560 3.417632 5.074611 3.330858 7.067113 3.959865 3.228689 2.296061 7.199028 6.392553 3.386103 7.077845 7.055759 6.663312 4.895975 5.041147 5.684765 5.334397 6.281104 4.947346 4.205091 4.672812 1.843041 2.268904 2.127606 7.059123 6.498032 6.592481 4.375252 3.975352 4.633011 4.809336 4.874702 4.200855 5.373739 5.954300 4.658145 3.676603 3.990976 4.328900 0.977130 0.000000 3.167555 2.729599 3.115421 4.552668 3.250499 7.188743 5.176821 3.108451 2.200244 7.406424 6.735387 3.601945 7.106407 7.125115 6.547372 6.078521 6.057526 7.065610 6.679405 7.575707 4.156303 3.570278 3.704536 3.153622 3.597929 3.041745 6.728443 6.203646 6.163921 4.942118 4.786793 4.990728 5.442050 5.539028 4.634483 5.904591 6.304901 5.072167 4.858684 4.992454 5.631698 0.962401 1.530811 0.000000 3.800678 4.121781 5.049934 3.960013 2.771803 5.135273 6.896136 3.848106 4.231972 4.167479 3.822188 3.391089 3.521847 5.764897 5.406307 7.324431 6.876840 7.121554 7.131159 6.998301 2.806665 2.986330 3.018433 5.709103 5.180747 5.376487 2.824275 1.864786 3.094941 3.055865 3.462740 2.113338 3.841671 4.665177 3.201354 6.118870 5.923675 5.891448 4.626781 4.183421 5.515399 5.390791 5.371378 5.215129 0.000000 2.922007 3.426439 4.109079 3.214545 1.806737 4.568319 6.027249 3.654561 3.815785 3.853752 3.383716 3.228153 3.304690 5.101292 4.718828 6.478780 6.018860 6.532705 6.439079 6.466690 2.943840 2.980173 2.905792 4.849995 4.388709 4.449448 2.850962 2.044396 2.855498 3.032440 3.196439 2.193893 3.133374 3.873566 2.363533 5.238409 5.098539 4.954765 4.047315 3.546045 4.952257 4.715508 4.607377 4.498038 0.976345 0.000000 2.028738 2.577614 2.648055 3.167946 0.964238 5.089043 4.439093 2.972441 2.550881 4.974144 4.265202 2.779455 4.706109 5.288919 4.862417 5.113999 4.835630 5.673064 5.391990 5.905192 3.495349 3.068389 3.185159 2.865800 2.679626 2.487543 4.590404 4.017426 4.205897 3.253348 3.009204 2.986315 3.089240 3.453026 2.211186 4.424111 4.647563 3.858525 3.192494 2.951995 4.104446 2.751673 2.490419 2.575788 3.063388 2.188920 0.000000 3.848621 3.822731 5.153843 4.144734 3.004384 5.867541 7.339809 3.359991 3.828347 5.045598 4.719775 3.116295 4.340054 6.410339 5.937839 7.863840 7.465821 7.749368 7.742509 7.716999 1.867081 2.184349 2.209356 5.916532 5.479897 5.612933 3.341713 2.415093 3.485032 3.268676 3.819375 2.445846 4.612059 5.378672 3.863112 6.714791 6.553307 6.367504 5.120403 4.802150 6.060501 5.110022 5.267533 4.893421 0.978412 1.509481 3.150818 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.1386,.7695,-1.5898;-2.3427,.2817,-2.13;-.1159,.5553,-2.5393;-1.2565,2.1505,-1.3587;-.8267,.1307,-.3249;1.1141,3.81,.4423;3.5272,-1.3775,-1.2107;-2.5324,-3.1345,.3393;-1.9838,-3.0896,-.4694;.6154,3.2781,2.0292;.9039,2.3607,1.8684;-1.9307,-2.9047,1.0762;-.3556,3.2472,1.9163;1.3623,3.9942,-.4935;.5575,3.7997,-.9848;4.288,-.8705,-.8938;3.9399,.0268,-.8045;4.3631,-2.0536,1.6159;4.4131,-1.6042,.7461;4.4545,-1.3395,2.2548;-4.2057,-1.0019,.3819;-3.6208,-1.7953,.3404;-3.9689,-.5011,-.405;1.5484,-2.1352,-1.386;1.5423,-2.1308,-.4007;1.3194,-1.2306,-1.6277;-2.1384,3.1157,1.5356;-2.3111,2.1888,1.7874;-2.0302,3.0727,.5797;-.9529,-2.3446,2.4861;-.0433,-2.2554,2.1505;-1.3115,-1.4455,2.4878;1.3905,.7205,1.138;2.0138,.991,.4359;.5562,.5792,.6393;2.7305,1.7241,-1.1471;2.3047,2.5851,-.924;2.1093,1.305,-1.7522;1.614,-1.9878,1.3487;1.5754,-1.006,1.3529;2.5541,-2.1789,1.553;-1.046,-3.0453,-2.0047;-.1309,-2.7789,-1.7892;-1.4233,-2.2705,-2.433;-2.3353,.3354,1.9914;-1.7145,.3121,1.2382;-.8009,-.831,-.3897;-3.1295,-.0752,1.5938; 0.2177274 0.1953313 0.1549829 -24.63757 -24.63417 -24.63400 -19.12735 -19.12519 -19.12422 -19.12241 -19.12222 -19.12216 -19.12060 -19.11905 -19.11891 -19.11628 -19.11537 -19.11498 -19.11466 -19.11214 -19.10888 -6.84305 -1.19339 -1.14932 -1.14567 -1.02958 -1.02347 -1.02140 -1.01802 -1.01655 -1.01416 -1.01168 -1.00902 -1.00710 -1.00487 -1.00353 -0.99595 -0.99432 -0.98974 -0.98814 -0.57023 -0.53930 -0.53773 -0.53392 -0.53208 -0.53126 -0.53089 -0.52873 -0.52771 -0.52669 -0.52326 -0.52235 -0.52052 -0.51925 -0.51550 -0.51401 -0.49559 -0.49156 -0.43517 -0.42770 -0.42291 -0.42004 -0.41665 -0.41433 -0.41080 -0.40834 -0.40806 -0.40540 -0.40355 -0.40114 -0.39870 -0.39716 -0.39245 -0.38965 -0.38335 -0.37948 -0.37814 -0.36261 -0.34957 -0.32871 -0.32571 -0.32533 -0.32244 -0.32147 -0.32135 -0.32054 -0.31895 -0.31796 -0.31727 -0.31612 -0.31411 -0.31232 -0.31114 -0.30988 -0.00981 0.01655 0.01844 0.02574 0.04708 0.05752 0.06417 0.06514 0.06968 0.08284 0.09188 0.09408 0.10253 0.10729 0.10934 0.11339 0.11623 0.12512 0.13085 0.13402 0.13857 0.14196 0.14496 0.14790 0.14805 0.15190 0.15387 0.16252 0.16499 0.17207 0.17456 0.17686 0.17985 0.18467 0.18925 0.19175 0.19286 0.19859 0.19972 0.20258 0.20500 0.21225 0.21429 0.21777 0.22090 0.22488 0.22930 0.23141 0.23740 0.24385 0.24551 0.24726 0.25163 0.25302 0.25424 0.25659 0.26111 0.26336 0.26479 0.26907 0.27078 0.27169 0.27401 0.27703 0.28035 0.28270 0.28657 0.29143 0.29501 0.29681 0.30002 0.30209 0.30462 0.31114 0.31337 0.31584 0.32651 0.33346 0.34077 0.34580 0.35156 0.35998 0.36864 0.37327 0.38167 0.38921 0.39256 0.40829 0.41235 0.42303 0.43824 0.44264 0.45528 0.46095 0.46463 0.47670 0.48180 0.49356 0.49620 0.49889 0.50501 0.51326 0.51733 0.51838 0.52178 0.52800 0.54250 0.54838 0.55088 0.55711 0.55766 0.55880 0.56225 0.57509 0.57646 0.58209 0.58704 0.59008 0.59274 0.60231 0.60838 0.61359 0.62313 0.62970 0.63225 0.63718 0.64624 0.64947 0.65578 0.65842 0.67284 0.67499 0.68044 0.68671 0.69798 0.70000 0.70514 0.72186 0.72874 0.75097 0.77355 0.81628 0.92455 0.95338 0.96290 0.96862 0.97736 0.98132 0.98577 0.98851 0.99340 1.00090 1.00449 1.00718 1.01009 1.01613 1.01918 1.02493 1.02940 1.03689 1.04283 1.04553 1.04761 1.05962 1.06254 1.06345 1.06705 1.07178 1.07626 1.08488 1.08727 1.09088 1.09491 1.09752 1.10890 1.11322 1.11691 1.12434 1.13465 1.14597 1.14699 1.16181 1.16597 1.18012 1.19251 1.20722 1.21888 1.23632 1.24895 1.25523 1.26262 1.26484 1.27237 1.28780 1.29570 1.30222 1.30639 1.31407 1.31724 1.32388 1.33204 1.33652 1.34657 1.34892 1.35548 1.36597 1.37016 1.37433 1.37448 1.38584 1.38791 1.39215 1.40441 1.40578 1.41598 1.41975 1.42384 1.42438 1.43351 1.43821 1.44115 1.44907 1.45531 1.46300 1.47689 1.48109 1.48696 1.48940 1.49575 1.50270 1.51218 1.51590 1.52548 1.53404 1.53876 1.54684 1.55402 1.55994 1.56618 1.57696 1.58811 1.59711 1.59903 1.60901 1.62635 1.63064 1.63374 1.64081 1.64906 1.66471 1.66697 1.67568 1.67872 1.68822 1.69857 1.70456 1.71046 1.71318 1.71740 1.74085 1.76038 1.76834 1.77201 1.77726 1.78457 1.79288 1.79689 1.80660 1.82316 1.83793 1.84310 1.85194 1.88733 1.90677 2.00246 2.02047 2.03378 2.06087 2.07992 2.09223 2.10000 2.11838 2.14390 2.17147 2.18190 2.20199 2.22660 2.24008 2.29219 2.29690 2.30328 2.30997 2.31808 2.32410 2.33593 2.34640 2.36154 2.37408 2.37660 2.39510 2.39864 2.41301 2.43596 2.43892 2.46208 2.48512 2.50940 2.54322 2.56973 2.61216 2.64007 2.64461 2.67200 2.67519 2.69136 2.69445 2.70994 2.72039 2.72736 2.73334 2.73899 2.74240 2.74602 2.75480 2.76454 2.77001 2.78100 2.79917 2.80456 2.81981 2.82377 2.82797 2.83718 2.84124 2.87562 2.88425 2.91097 2.95601 3.07820 3.08651 3.09301 3.09682 3.10029 3.10457 3.10929 3.11603 3.11963 3.12238 3.12574 3.13136 3.13712 3.13895 3.14233 3.14587 3.14810 3.15157 3.15633 3.15811 3.16221 3.16336 3.16736 3.17500 3.18001 3.18937 3.19700 3.21331 3.22636 3.23650 3.25574 3.32105 3.32361 3.32403 3.33867 3.34238 3.34810 3.35926 3.36289 3.37043 3.37483 3.38066 3.38966 3.39149 3.40606 3.56668 3.68775 3.69394 3.70820 3.71247 3.72300 3.72651 3.73484 3.73725 3.75887 3.76659 3.78342 3.79060 3.80425 3.81318 3.81531 3.81945 3.82301 3.83590 3.85270 3.85485 3.90256 3.91470 3.91716 3.92028 3.92724 3.93091 3.93667 3.94214 3.95001 3.95528 3.95912 3.96956 3.97573 3.98255 3.98847 3.99200 4.02109 4.03654 4.11669 4.24754 4.27045 4.41624 4.66560 4.68107 5.01288 5.02523 5.03032 5.03381 5.03637 5.04662 5.04914 5.05311 5.06421 5.07192 5.13423 5.14967 5.16802 5.25614 5.26603 5.36730 5.37121 5.38344 5.39646 5.40356 5.41760 5.42777 5.42887 5.45089 5.45500 5.48524 5.48904 5.50401 5.52205 5.55045 5.60293 5.67223 5.67674 5.68870 5.69433 5.69641 5.70369 5.72072 5.72877 5.73532 5.74725 5.75468 5.77405 5.78846 5.80944 6.35734 6.36871 6.38759 6.42792 6.44673 6.48103 6.48681 6.60651 6.63970 14.61671 49.89012 49.91013 49.91439 49.92002 49.92074 49.92260 49.93539 49.93879 49.94533 49.95103 49.95476 49.96931 49.98398 49.98834 50.00139 66.85900 66.86865 66.87893 1-A. 5.1358 1.0103 -2.5883 5.8393 -191.6328 -205.3154 -162.2672 -8.2207 13.4105 -4.0752 -5.2277 -18.9103 24.1379 -8.2207 13.4105 -4.0752 11.6086 0.7901 -36.3840 -2.4697 80.1365 4.3992 32.6015 -1.6271 -62.4418 7.8129 -5585.1332 -4774.3812 -2154.6596 87.7762 311.3671 -268.9163 -188.4828 86.9912 -46.9859 -1819.2054 -1100.6785 -1238.4202 66.6766 39.0920 9.8095 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2403,1.1993,-1.3026;.3618,.9224,-2.6971;1.5593,1.4837,-.81;-.5538,2.3643,-1.133;-.3667,.1101,-.5916;-1.2267,3.3279,1.7827;3.2046,-.541,1.9199;-.3802,-3.1547,-2.6978;.4678,-2.6691,-2.6154;-2.5653,2.167,2.2501;-1.9274,1.4275,2.3138;-.7237,-3.2318,-1.7816;-2.9399,2.0832,1.3481;-.4528,3.8135,1.4213;-.4167,3.5213,.4978;3.2436,-.262,2.8551;2.6546,.5095,2.8843;2.2188,-2.7075,3.72;2.5667,-1.805,3.5469;1.726,-2.6363,4.5466;-1.8836,-.9784,-3.5682;-1.3696,-1.7767,-3.3078;-1.2795,-.2455,-3.3805;2.6365,-1.0553,.1454;1.8775,-1.5144,.5711;2.3109,-.1627,-.0514;-3.3866,1.9989,-.4465;-3.4451,1.0408,-.628;-2.5081,2.2366,-.7813;-1.5116,-3.2469,-.1426;-.8169,-2.9585,.4834;-2.0747,-2.4641,-.2837;-.5092,.2229,2.1371;.2675,.785,2.3311;-.551,.2568,1.1554;1.6415,2.0943,2.0896;.9407,2.7773,1.9914;1.8478,1.8642,1.1709;.5409,-2.2962,1.5323;.1496,-1.4601,1.8639;1.0627,-2.6283,2.2937;1.9278,-1.5844,-2.5878;2.2361,-1.4971,-1.6643;1.5059,-.7327,-2.7776;-2.9334,-.7893,-.913;-2.0501,-.4155,-.7034;.0931,-.7261,-.7447;-2.8566,-.9203,-1.8786; 0.000000 1.426947 0.000000 1.436447 2.304405 0.000000 1.420116 2.316050 2.311984 0.000000 1.435400 2.371497 2.375749 2.325912 0.000000 4.025177 5.327162 4.229075 3.143641 4.090393 0.000000 4.711693 5.616023 3.776047 5.646844 4.414267 5.884191 0.000000 4.614017 4.144101 5.370347 5.739246 3.885286 7.925692 6.403599 0.000000 4.091416 3.594007 4.657963 5.345727 3.537807 7.627508 5.708578 0.980674 0.000000 4.629134 5.881449 5.181050 3.940804 4.139970 1.832542 6.382321 7.587923 7.500644 0.000000 4.222415 5.532129 4.681694 3.826804 3.551362 2.093990 5.510695 6.964653 6.842173 0.978672 0.000000 4.559969 4.390211 5.328429 5.636173 3.565365 7.482489 6.031038 0.981516 1.559297 6.985173 6.319015 0.000000 4.233294 5.349044 5.025897 3.453689 3.778450 2.161809 6.705862 7.096284 7.064400 0.980273 1.545214 6.554076 0.000000 3.838442 5.097347 3.801972 2.938438 4.215925 0.982473 5.708452 8.094933 7.691929 2.803664 2.943456 7.743885 3.030651 0.000000 3.010760 4.191380 3.125189 2.004179 3.581305 1.531190 5.624828 7.401535 6.985368 3.085666 3.156624 7.134043 3.026176 0.969297 0.000000 5.333106 6.366717 4.395173 6.101117 5.005280 5.832818 0.976720 7.234310 6.589817 6.325352 5.466940 6.786652 6.782901 5.685883 5.767937 0.000000 4.882105 6.048127 3.974503 5.465662 4.622759 4.921573 1.528413 7.334652 6.718063 5.513388 4.707820 6.868869 6.011300 4.765808 4.919347 0.971091 0.000000 6.663647 7.602922 6.206627 7.547389 5.763128 7.214673 2.984326 6.938572 6.573036 6.986372 6.022226 6.261093 7.428992 7.412494 7.491831 2.789035 3.352241 0.000000 6.160785 7.161559 5.550914 7.001595 5.422125 6.621855 2.156788 7.035850 6.567046 6.617842 5.671571 6.423086 7.090550 6.723278 6.824033 1.821365 2.409024 0.982672 0.000000 7.150695 8.185198 6.759856 7.903307 6.190582 7.206234 3.671037 7.562245 7.271785 6.838206 5.903189 6.811955 7.367194 7.490960 7.674697 3.286572 3.677179 0.965021 1.548360 0.000000 3.792980 3.068233 5.052112 4.344308 3.513749 6.899936 7.496735 2.784596 3.048827 6.649125 6.355173 3.100813 5.887234 7.064341 6.239559 8.249940 8.027772 8.540396 8.432912 9.034893 0.000000 3.933093 3.264340 5.044593 4.748000 3.455973 7.210484 7.055475 1.802784 2.156848 6.918963 6.494609 2.205436 6.248349 7.379343 6.592373 7.845910 7.730711 7.945695 7.904628 8.486153 0.984463 0.000000 2.952097 2.127184 4.201959 3.519813 2.955966 6.279391 6.949012 3.120645 3.084217 6.259095 5.970179 3.432705 5.526209 6.341570 5.474861 7.703377 7.436081 8.289586 8.075545 8.808449 0.968210 1.535566 0.000000 3.594717 4.143163 2.918868 4.848388 3.304678 6.067786 1.932863 4.646772 3.863923 6.470839 5.629886 4.443180 6.511027 5.905657 5.512898 2.887952 3.154423 3.960044 3.483802 4.764377 5.850559 5.338047 5.331361 0.000000 3.681763 4.349333 3.316233 4.884683 3.004551 5.878127 2.127933 4.298113 3.670726 6.009161 5.115565 3.905238 6.062513 5.877030 5.534214 2.941354 3.170349 3.384615 3.068363 4.133579 5.618485 5.065441 5.214597 0.983942 0.000000 2.776342 3.460680 1.962422 3.970234 2.745175 5.297491 2.197218 4.816403 4.031498 5.873829 5.107475 4.649915 5.879969 5.061337 4.616692 3.054131 3.031248 4.550609 3.963606 5.253828 5.534220 5.172572 4.897024 0.970289 1.549983 0.000000 3.811309 4.502680 4.985900 2.937536 3.564821 3.376551 7.449459 6.376976 6.430375 2.823893 3.174085 6.019397 1.851276 3.922820 3.468380 7.744175 7.057550 8.422036 8.115319 8.517926 4.568170 5.148754 4.252623 6.779098 6.410077 6.106550 0.000000 3.749913 4.334449 5.027228 3.219604 3.216173 3.995458 7.294668 5.592855 5.746611 3.213327 3.332682 5.195383 2.290555 4.565168 4.073226 7.653003 7.058697 8.064441 7.853036 8.187702 3.893644 4.407623 3.730994 6.479036 6.024684 5.908669 0.976821 0.000000 2.983521 3.692426 4.136621 1.989780 3.023833 3.067094 6.902633 6.104699 6.023763 3.032659 3.251305 5.838504 2.178072 3.400302 2.767750 7.249073 6.563030 8.188388 7.798792 8.370150 4.300424 4.877084 3.798172 6.177604 5.927270 5.432542 0.969652 1.526822 0.000000 4.917684 5.236305 5.679344 5.777942 3.575172 6.856865 5.815402 2.796083 3.219756 6.012068 5.296823 1.818685 5.715963 7.308607 6.886075 6.364609 6.374199 5.396918 5.685464 5.730959 4.125491 3.492960 4.421176 4.700369 3.872601 4.912477 5.579067 4.728490 5.609791 0.000000 4.646978 5.154268 5.201181 5.569048 3.282413 6.432332 4.907194 3.217093 3.367021 5.696299 4.880551 2.283388 5.538335 6.846253 6.492154 5.420691 5.462853 4.444577 4.707937 4.804178 4.634039 4.009459 4.743858 3.957614 3.058243 4.229137 5.660649 4.912917 5.607861 0.978610 0.000000 4.451733 4.819751 5.391520 5.133069 3.104595 6.207806 6.035368 3.029287 3.455911 5.301622 4.681100 2.158366 4.908071 6.704132 6.259798 6.556385 6.422254 5.875657 6.054005 6.148761 3.610009 3.180463 3.891667 4.936086 4.153628 4.958247 4.654621 3.779015 4.746781 0.974572 1.553993 0.000000 3.653298 4.961644 3.814964 3.909120 2.734744 3.206449 3.797833 5.899338 5.648442 2.831850 1.869044 5.228567 3.160915 3.661618 3.684482 3.851603 3.263520 4.305292 3.944802 4.356302 5.990285 5.863990 5.590792 3.936594 3.341768 3.590512 4.255378 4.115100 4.070291 4.271035 3.598720 3.940973 0.000000 3.657312 5.030974 3.467459 3.894710 3.065914 2.999969 3.248662 6.421171 6.036458 3.152992 2.287116 5.833696 3.597138 3.243157 3.364021 3.198143 2.465811 4.234920 3.670488 4.329114 6.522235 6.406265 6.006468 3.711628 3.313163 3.278722 4.747756 4.754500 4.415664 5.053819 4.313206 4.783320 0.978242 0.000000 2.748773 4.014685 3.133880 3.110981 1.762719 3.206559 3.914784 5.149239 4.880287 2.984059 2.146382 4.563550 3.013284 3.567941 3.332802 4.190179 3.650921 4.799646 4.437404 5.005559 5.061030 4.972442 4.621355 3.591922 3.062042 3.134132 3.693418 3.488665 3.391219 3.857910 3.295473 3.434517 0.983253 1.526895 0.000000 3.777786 5.091566 2.964371 3.908672 3.893483 3.137270 3.068723 7.386477 6.797451 4.210506 3.637613 6.996343 4.641066 2.790731 2.967587 2.950484 2.041995 5.103869 4.264301 5.331327 7.340311 7.292769 6.627935 3.832807 3.922363 3.182239 5.632306 5.862491 5.047938 6.591983 5.844213 6.342129 2.851345 1.913224 3.009409 0.000000 3.719000 5.075218 3.147043 3.487955 3.936408 2.245937 4.017676 7.676132 7.149108 3.568141 3.186256 7.288053 3.994352 1.827670 2.151030 3.909920 2.979623 5.891156 5.105017 6.037689 7.279567 7.359238 6.551629 4.579596 4.616724 3.833353 5.027398 5.395524 4.458058 6.845401 6.185694 6.460772 2.940849 2.130238 3.045860 0.983503 0.000000 3.023935 4.249302 2.037630 3.365371 3.329738 3.459629 2.861264 6.717178 6.065562 4.553175 3.968473 6.426426 4.795949 3.025711 2.885659 3.050553 2.328522 5.247493 4.429997 5.627143 6.668075 6.608067 5.911495 3.193314 3.431573 2.411847 5.480183 5.650487 4.787825 6.255729 5.552583 6.019623 3.030299 2.237791 2.887543 0.969316 1.526363 0.000000 4.510540 5.317812 4.561892 5.479265 3.335334 5.900625 3.213491 4.413561 4.165048 5.484792 4.535258 3.668321 5.597197 6.190894 5.985843 3.632155 3.763998 2.787634 2.898983 3.256779 5.799130 5.229402 5.626237 2.802674 1.822520 3.192603 6.147167 5.629390 5.932501 2.814571 1.839121 3.188612 2.795430 3.194766 2.802110 4.560556 5.109909 4.375736 0.000000 4.136073 5.150181 4.219343 4.909412 2.959962 4.982521 3.190770 4.895146 4.650527 4.546975 3.585263 4.146313 4.729255 5.326230 5.196268 3.462772 3.345967 3.046790 2.965450 3.326494 5.820180 5.399588 5.569708 3.049920 2.158710 3.165899 5.459560 5.038433 5.265511 3.158899 2.255050 3.250844 1.827882 2.296196 1.985064 3.861414 4.312500 3.796655 0.980901 0.000000 5.316038 6.165002 5.175749 6.267549 4.226923 6.401528 3.014087 5.222498 4.945163 6.013252 5.038929 4.490388 6.254098 6.674926 6.575133 3.266673 3.567788 1.837742 2.123828 2.348583 6.764997 6.165926 6.584862 3.092978 2.207272 3.624475 6.979667 6.505310 6.772998 3.597933 2.630405 4.063642 3.259647 3.504961 3.496258 4.762406 5.415516 4.696786 0.981012 1.543807 0.000000 3.499771 2.957739 3.565039 4.885434 3.481543 7.292678 4.799835 2.793764 1.819098 7.593800 6.925284 3.224058 7.255145 7.132801 6.409814 5.753749 5.903965 6.413662 6.171860 7.214434 3.981876 3.380607 3.564809 2.872785 3.160109 2.932785 6.757753 6.292876 6.127055 4.535780 4.342168 4.701441 5.615238 5.706702 4.852396 5.957654 6.400633 5.101671 4.405194 4.795396 5.066328 0.000000 3.374094 3.230098 3.173769 4.793387 3.241674 6.866836 3.833866 3.265151 2.324917 7.197289 6.458552 3.432725 6.977388 6.704681 6.074221 4.792239 4.989115 5.518731 5.230756 6.335139 4.567944 3.972498 4.107479 1.905417 2.264058 2.094622 6.731932 6.307973 6.101439 4.407197 4.008686 4.628692 4.994630 5.004647 4.335252 5.229137 5.771715 4.414435 3.705496 4.099205 4.280483 0.977534 0.000000 2.740467 2.013679 2.964234 4.066829 2.999312 6.689715 4.998848 3.070854 2.203126 7.089454 6.509693 3.494107 6.687000 6.491129 5.702737 5.913411 5.909278 6.828390 6.501859 7.570765 3.489220 3.104830 2.891306 3.150607 3.458737 2.899116 6.068923 5.681418 5.377232 4.729747 4.580831 4.694540 5.397100 5.471365 4.547313 5.630315 5.948357 4.738276 4.685175 4.890043 5.432115 0.969182 1.535183 0.000000 3.765410 4.119629 5.036006 3.956762 2.738590 5.208741 6.764752 3.911486 4.242626 4.345065 4.041996 3.406349 3.655614 5.726015 5.187014 7.254803 6.879843 7.189545 7.153563 7.411409 2.861509 3.025829 3.019880 5.675832 5.086540 5.351409 2.862976 1.921534 3.058437 2.941929 3.336872 1.984534 4.025447 4.821661 3.323864 6.185522 6.013705 5.851732 4.507819 4.203091 5.443668 5.202748 5.271546 4.815355 0.000000 2.865663 3.403196 4.079918 3.185992 1.767004 4.568588 5.874452 3.777490 3.882506 3.956971 3.537651 3.294452 3.353199 4.994953 4.428214 6.380446 5.988463 6.560777 6.427351 6.837703 2.924330 3.016404 2.790923 4.805635 4.272913 4.416684 2.771509 2.018056 2.692450 2.936254 3.065301 2.091345 3.294016 4.002613 2.480778 5.265754 5.138171 4.889066 3.904912 3.538509 4.854770 4.554192 4.523751 4.128903 0.981789 0.000000 2.009974 2.569362 2.652789 3.181215 0.966484 4.956307 4.100736 3.152272 2.723046 4.940210 4.251434 2.832106 4.633696 5.059374 4.454697 4.806266 4.610655 5.327163 5.069607 5.857806 3.455904 3.132531 3.010368 2.714753 2.353072 2.390990 4.429713 3.956539 3.942732 3.048324 2.705539 2.816506 3.093318 3.431426 2.234106 4.287914 4.525364 3.668532 2.801855 2.710539 3.713576 2.738586 2.456124 2.475625 3.031809 2.165933 0.000000 3.796712 3.797839 5.140164 4.080137 2.986224 5.840327 7.163140 3.434540 3.827854 5.163525 4.894013 3.146678 4.409026 6.251082 5.597162 7.749462 7.423159 7.765208 7.722119 8.076429 1.950609 2.233170 2.279954 5.855706 5.363347 5.533136 3.294429 2.399241 3.360295 3.199356 3.727395 2.353391 4.789907 5.512712 3.988265 6.713269 6.562685 6.259693 5.006977 4.830641 5.973791 4.882044 5.129724 4.458134 0.977509 1.512073 3.166062 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9238,.6795,-1.4141;-1.9928,.0383,-2.1087;.2431,.5789,-2.2457;-1.2369,2.056,-1.2592;-.7028,.1,-.1196;.7585,3.894,.3292;3.4073,-1.1536,-1.1299;-2.4513,-3.352,.23;-1.89,-3.2035,-.5603;.3569,3.4548,2.0624;.7728,2.5753,1.9558;-1.9034,-3.0675,.993;-.5961,3.2902,1.9021;.9149,3.9584,-.6386;.1806,3.4523,-1.0182;4.1946,-.6837,-.7933;3.883,.23,-.688;4.2898,-2.2904,1.4845;4.3563,-1.6499,.7422;4.6793,-1.8409,2.2444;-4.0158,-1.0702,-.0857;-3.5116,-1.9083,.0267;-3.508,-.5848,-.7519;1.6279,-1.8525,-1.4145;1.5326,-1.8826,-.4356;1.2852,-.9823,-1.6729;-2.3187,2.9282,1.3288;-2.5073,2.0442,1.6991;-2.0817,2.7389,.4078;-1.0227,-2.3852,2.4305;-.1082,-2.2221,2.1228;-1.4581,-1.5134,2.423;1.4409,.935,1.3589;2.0525,1.2059,.6451;.6163,.7352,.862;2.6598,1.8219,-1.0615;2.1789,2.6649,-.902;2.0282,1.3108,-1.5901;1.5376,-1.8586,1.3867;1.5875,-.8831,1.477;2.4582,-2.156,1.5494;-1.0151,-2.7531,-2.0903;-.0829,-2.5559,-1.8719;-1.408,-1.8829,-2.2567;-2.4564,.1445,1.9834;-1.7718,.2116,1.2829;-.5675,-.8558,-.1668;-3.2004,-.2424,1.4811; 0.2244633 0.2069939 0.1607510 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= 605 605 605 605 605 MxSgAt= 48 MxSgA2= 48. 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= 592 RedAO= T EigKep= 1.10D-04 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 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= 598 598 598 598 598 MxSgAt= 48 MxSgA2= 48. 1 2.02059097e+00 3.97478384e-01 -1.01832883e+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 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 -0.002660209 -0.006806057 0.004409103 -0.000982400 -0.002295921 -0.009678201 0.009804916 0.000984679 0.004259089 -0.006873502 0.007846198 0.003403577 -0.002399214 -0.002406770 0.002466919 -0.001260806 -0.000695110 0.000538358 0.000099728 -0.002091965 -0.004758576 -0.001316165 -0.001750363 -0.002087280 0.002690181 0.000540124 -0.000069796 -0.001713336 0.001480346 0.002873482 0.002808425 -0.002798901 -0.000124117 -0.000510769 -0.000871601 0.002359305 -0.001876816 0.000103074 -0.001924447 0.000931448 0.001998118 0.002462702 0.000217664 0.000270492 -0.004733616 0.001672803 -0.001233414 0.002812492 -0.002792144 0.004265998 -0.000235452 0.000610665 -0.002460234 0.000078624 0.001709564 0.001975413 -0.000798008 -0.002155803 -0.000028869 0.002704038 -0.003211758 -0.001060086 -0.000879007 0.001075053 -0.001578915 0.000151634 0.002194194 0.004445722 -0.000382416 0.001960379 -0.000684848 -0.000202493 -0.000864404 -0.001052071 0.001011892 -0.001502129 0.004440254 -0.001118204 -0.002883443 0.001502886 0.002486284 -0.000117318 -0.003877506 -0.001244945 0.004709948 0.002159907 -0.002472803 -0.000676545 -0.002955429 -0.001876977 0.002898214 0.000677564 0.003002212 -0.002937957 0.003779444 -0.000438979 -0.001804483 -0.000684770 0.002181711 0.001325812 0.001256950 0.000945418 -0.000137251 0.000595336 -0.003091224 0.001014940 -0.002373179 0.003641125 -0.000477742 0.000663697 -0.000030674 0.001580952 -0.000645452 -0.004281816 -0.000547018 -0.002745475 -0.001908560 -0.000865643 0.001966987 0.000666618 0.000294640 -0.000488523 0.000044297 -0.000779716 -0.002206194 -0.001488366 0.001150126 0.000137806 0.003457965 -0.000617528 0.003691504 -0.001771933 -0.002405059 -0.001534741 0.001827267 0.003865680 0.001806515 0.000509056 0.002340288 -0.000669805 -0.001282639 -0.000586459 -0.000592816 -0.001412639 0.009804916 0.002586556 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1471.49485913201 -1471.49486445166 -0.000005319653 -1471.49486444765 0.000000004010 -1471.49486452056 -0.000000072909 -1471.49486452210 -0.000000001545 -1471.49486452209 0.000000000013 -1471.49486452 6 1.466646066245e+03 -7.737582029503e+03 2.680274157026e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 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) PT75459.400S Tue Nov 5 23:55:50 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 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 1.039054 -0.428429 -0.469558 -0.450887 -0.919809 0.404199 0.329310 -0.862547 0.430651 -0.799158 0.377474 0.409752 0.400696 -0.705483 0.306508 -0.672647 0.358212 -0.718532 0.401747 0.310305 -0.712748 0.422074 0.300001 -0.697800 0.421247 0.301738 -0.666197 0.374552 0.298741 -0.729712 0.384113 0.342257 -0.827540 0.408894 0.414017 -0.771207 0.443929 0.299443 -0.883844 0.412958 0.446232 -0.701099 0.397295 0.301087 -0.819460 0.380713 0.319907 0.399555 -1.00000 -24.65511 -24.65107 -24.65100 -19.12595 -19.12536 -19.12281 -19.12244 -19.12243 -19.12168 -19.12148 -19.12033 -19.12001 -19.11879 -19.11750 -19.11559 -19.11518 -19.11165 -19.10862 -6.86224 -1.20558 -1.16460 -1.16003 -1.02929 -1.02212 -1.01979 -1.01545 -1.01465 -1.01173 -1.01126 -1.00756 -1.00527 -1.00300 -1.00195 -0.99729 -0.99511 -0.99014 -0.98670 -0.58491 -0.54544 -0.54032 -0.53830 -0.53371 -0.53149 -0.52978 -0.52770 -0.52592 -0.52546 -0.52118 -0.52046 -0.51882 -0.51717 -0.51490 -0.51443 -0.50379 -0.49995 -0.44569 -0.43384 -0.42845 -0.42735 -0.42144 -0.41798 -0.41396 -0.41373 -0.41087 -0.40705 -0.40330 -0.39966 -0.39953 -0.39675 -0.39404 -0.38775 -0.38461 -0.38305 -0.38160 -0.37666 -0.36124 -0.32852 -0.32665 -0.32433 -0.32267 -0.32107 -0.32059 -0.31990 -0.31967 -0.31868 -0.31696 -0.31600 -0.31515 -0.31363 -0.31110 -0.30919 -0.00726 0.01994 0.02249 0.02763 0.04973 0.06090 0.06783 0.06889 0.07147 0.08385 0.09755 0.09863 0.10596 0.11016 0.11314 0.11547 0.11586 0.12945 0.13104 0.13666 0.14154 0.14512 0.14803 0.15118 0.15339 0.15670 0.15860 0.16326 0.16621 0.17154 0.17358 0.18058 0.18274 0.18974 0.19038 0.19606 0.19860 0.19992 0.20405 0.20593 0.20975 0.21296 0.21647 0.22134 0.22323 0.22683 0.23022 0.23591 0.24095 0.24402 0.24859 0.24906 0.25127 0.25205 0.25511 0.25804 0.26104 0.26132 0.26413 0.26654 0.26925 0.26979 0.27154 0.27342 0.27662 0.27777 0.28148 0.28474 0.28778 0.28930 0.29282 0.29907 0.30052 0.30465 0.31076 0.31692 0.32346 0.33584 0.33802 0.35187 0.35751 0.36301 0.36891 0.37190 0.37660 0.39274 0.39768 0.41509 0.41688 0.43702 0.44635 0.45534 0.45816 0.47626 0.48342 0.48553 0.49237 0.49661 0.49805 0.50137 0.51330 0.51917 0.52231 0.52372 0.53099 0.53577 0.53910 0.54498 0.55314 0.55626 0.55891 0.56036 0.56391 0.57224 0.57926 0.58156 0.58439 0.58690 0.59438 0.60450 0.61233 0.61436 0.62304 0.62829 0.64177 0.64663 0.64957 0.65937 0.66830 0.67310 0.67548 0.68250 0.68317 0.69024 0.69633 0.70545 0.71879 0.72651 0.74184 0.77261 0.77744 0.82610 0.92383 0.95323 0.96147 0.96438 0.97825 0.98163 0.98302 0.99487 0.99776 1.00463 1.01674 1.01895 1.02015 1.02788 1.02904 1.03516 1.03696 1.04351 1.05253 1.05743 1.05839 1.06260 1.06498 1.06602 1.06781 1.07990 1.08605 1.08731 1.09185 1.09804 1.09986 1.10265 1.10854 1.11245 1.11546 1.12665 1.13334 1.14348 1.14518 1.15851 1.16871 1.17803 1.19391 1.20107 1.21331 1.23349 1.24205 1.25615 1.26010 1.26903 1.28022 1.28776 1.29459 1.29972 1.30468 1.31288 1.32401 1.33106 1.33139 1.33732 1.34240 1.35107 1.35826 1.35987 1.36689 1.37218 1.37491 1.37887 1.39101 1.39198 1.39903 1.40712 1.40880 1.41659 1.42275 1.43117 1.43846 1.44313 1.45434 1.45564 1.46378 1.46610 1.47372 1.47626 1.48432 1.49321 1.49936 1.50909 1.51575 1.52298 1.53393 1.53857 1.54774 1.55048 1.55810 1.56533 1.56860 1.58079 1.58739 1.59411 1.60565 1.61097 1.61537 1.62952 1.64096 1.64718 1.65741 1.66297 1.66544 1.67645 1.68879 1.69285 1.70018 1.70425 1.71373 1.72172 1.72956 1.74919 1.75444 1.76483 1.77533 1.78372 1.78659 1.79211 1.80033 1.81884 1.83230 1.83565 1.85614 1.86353 1.88299 1.91260 2.02858 2.05860 2.08053 2.11221 2.13946 2.16279 2.17334 2.18278 2.20676 2.20834 2.22960 2.23597 2.24856 2.26788 2.27487 2.27878 2.28736 2.30558 2.31010 2.32218 2.33195 2.34574 2.36141 2.36728 2.37437 2.38653 2.38799 2.40637 2.41530 2.42783 2.43223 2.45481 2.48125 2.49372 2.53818 2.57329 2.62200 2.62999 2.65881 2.68262 2.69192 2.70183 2.70755 2.71878 2.72656 2.73133 2.73710 2.74129 2.74801 2.76066 2.76460 2.77585 2.78100 2.79465 2.79912 2.80528 2.81632 2.83286 2.84564 2.85549 2.87776 2.89277 2.92067 2.95715 3.08487 3.08803 3.09365 3.09894 3.10055 3.10347 3.10844 3.10978 3.11326 3.12750 3.12936 3.13279 3.13670 3.14059 3.14285 3.14491 3.14984 3.15161 3.15776 3.15911 3.16037 3.16934 3.17043 3.17343 3.17775 3.18450 3.19829 3.21275 3.21878 3.23284 3.25772 3.32052 3.32459 3.32768 3.33680 3.34177 3.35281 3.35405 3.36648 3.37145 3.38719 3.39496 3.39693 3.40264 3.41378 3.57309 3.67541 3.68381 3.69652 3.70981 3.71202 3.71667 3.73284 3.73962 3.75773 3.77158 3.78164 3.79059 3.79961 3.80500 3.81940 3.81974 3.83084 3.84502 3.85911 3.87588 3.89404 3.91455 3.91802 3.92280 3.93231 3.93666 3.94244 3.94617 3.94867 3.95210 3.95839 3.96126 3.96820 3.98421 3.98529 4.00380 4.01854 4.02621 4.09604 4.21741 4.23294 4.39111 4.65402 4.66595 5.01418 5.02728 5.03701 5.04470 5.04740 5.05509 5.06027 5.06075 5.06828 5.07638 5.14118 5.15893 5.20173 5.23516 5.27257 5.35163 5.36072 5.37592 5.39335 5.40747 5.42268 5.43223 5.43699 5.44531 5.45698 5.47902 5.49992 5.51533 5.51811 5.56676 5.59497 5.65981 5.67003 5.68591 5.69695 5.70336 5.70577 5.72123 5.72671 5.74037 5.74470 5.75647 5.76286 5.76372 5.78951 6.40100 6.41439 6.41925 6.45087 6.45417 6.49977 6.52824 6.65026 6.67226 14.58564 49.87790 49.90210 49.91281 49.91474 49.92057 49.92616 49.93604 49.93923 49.94105 49.94961 49.95756 49.96354 49.97454 49.98195 49.99962 66.86352 66.86959 66.88103 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 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 0.986194 -0.397917 -0.447889 -0.444117 -0.879190 0.386762 0.359253 -0.846915 0.413002 -0.794623 0.387202 0.420420 0.392571 -0.722839 0.323735 -0.700614 0.354146 -0.724311 0.390641 0.318433 -0.720432 0.404654 0.314036 -0.715118 0.418583 0.304872 -0.671134 0.356194 0.305793 -0.762148 0.387915 0.363402 -0.766252 0.381162 0.383169 -0.750542 0.420372 0.299168 -0.849230 0.383032 0.448622 -0.704321 0.375509 0.306161 -0.796305 0.390877 0.342460 0.375557 -1.00000 2.21988009e+00 2.26847021e-01 -3.51948675e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 5.6424 0.5766 -0.8946 5.7419 -185.7265 -211.9326 -160.9892 -9.9146 15.9587 -6.9804 0.4896 -25.7165 25.2269 -9.9146 15.9587 -6.9804 57.5152 -25.7355 -30.0145 23.1100 71.7290 48.1610 36.7646 -1.4783 -48.4568 4.5000 -5062.4771 -4896.2213 -2057.3920 19.9151 354.7000 -206.7574 -120.3921 115.2503 -90.5378 -1734.6776 -966.4567 -1216.2092 -33.4236 54.0945 -63.9554 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.4948645 8.504E-9 2.619E-5 -2.0792429,-7.8193516,9.8985945,7.9452696,-5.6768085,-20.0922575 C01 [X(B1F3H29O15)] 1.4591545 0.3743127 1.683435 -0.000023733 -0.000033800 0.000107424 0.000007233 -0.000017402 -0.000094343 0.000016873 0.000000271 0.000004951 -0.000011790 0.000005071 -0.000006191 0.000008175 0.000059838 0.000008189 -0.000019357 -0.000055856 0.000007817 0.000010796 -0.000003315 0.000017843 -0.000006272 0.000014180 -0.000020509 -0.000022108 -0.000015935 0.000010688 -0.000039121 -0.000008947 0.000039460 0.000020435 0.000021995 -0.000008954 -0.000013371 -0.000012878 0.000021606 0.000034869 0.000023256 -0.000005031 0.000000294 0.000054057 -0.000006816 0.000017361 -0.000012445 -0.000006899 0.000002565 0.000000109 -0.000031814 -0.000005492 -0.000004799 0.000015054 -0.000009557 0.000005965 -0.000020576 0.000015592 0.000019469 0.000003134 0.000013750 -0.000003274 0.000014529 -0.000002539 -0.000008328 0.000024868 -0.000011571 0.000007462 -0.000016782 -0.000007310 0.000009932 -0.000004745 0.000008386 0.000001151 -0.000012031 -0.000037815 -0.000014426 0.000022348 -0.000004518 -0.000000748 -0.000013839 0.000008902 0.000003118 0.000005021 -0.000007499 -0.000025010 -0.000005032 -0.000004061 0.000004928 -0.000000071 -0.000016015 0.000006613 -0.000019808 0.000024097 0.000005463 0.000034479 0.000002762 0.000003728 -0.000003254 -0.000022004 0.000055076 0.000102915 0.000013440 -0.000040755 -0.000058844 0.000021196 -0.000045705 -0.000057974 -0.000004345 0.000008482 0.000007138 0.000008148 -0.000007209 -0.000000077 0.000002704 0.000001084 -0.000001650 0.000066702 0.000059433 0.000006770 -0.000002599 -0.000026205 -0.000041286 -0.000048992 -0.000037690 -0.000020614 0.000028500 0.000005709 0.000004172 -0.000004942 0.000001113 -0.000023787 -0.000016435 0.000009749 0.000006782 0.000003359 0.000034973 -0.000003626 -0.000021447 -0.000034622 0.000019060 0.000004278 -0.000003597 -0.000007317 0.000022477 -0.000009277 0.000007625 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2403,1.1993,-1.3026;.3618,.9224,-2.6971;1.5593,1.4837,-.81;-.5538,2.3643,-1.133;-.3667,.1101,-.5916;-1.2267,3.3279,1.7827;3.2046,-.541,1.9199;-.3802,-3.1547,-2.6978;.4678,-2.6691,-2.6154;-2.5653,2.167,2.2501;-1.9274,1.4275,2.3138;-.7237,-3.2318,-1.7816;-2.9399,2.0832,1.3481;-.4528,3.8135,1.4213;-.4167,3.5213,.4978;3.2436,-.262,2.8551;2.6546,.5095,2.8843;2.2188,-2.7075,3.72;2.5667,-1.805,3.5469;1.726,-2.6363,4.5467;-1.8836,-.9784,-3.5682;-1.3696,-1.7767,-3.3078;-1.2795,-.2455,-3.3805;2.6365,-1.0553,.1454;1.8775,-1.5144,.5711;2.3109,-.1627,-.0514;-3.3866,1.9989,-.4465;-3.4451,1.0408,-.628;-2.5081,2.2366,-.7813;-1.5116,-3.2469,-.1426;-.8169,-2.9585,.4834;-2.0747,-2.4641,-.2837;-.5092,.2229,2.1371;.2675,.785,2.3311;-.551,.2568,1.1554;1.6415,2.0943,2.0896;.9407,2.7773,1.9914;1.8478,1.8642,1.1709;.5408,-2.2962,1.5323;.1496,-1.4601,1.8639;1.0627,-2.6283,2.2937;1.9278,-1.5844,-2.5878;2.2361,-1.4971,-1.6643;1.5059,-.7327,-2.7776;-2.9334,-.7893,-.913;-2.0501,-.4155,-.7034;.0931,-.7261,-.7447;-2.8566,-.9203,-1.8786; Gaussian 16 GINC-GALAPAGAR LAMSABHI Optimization 14H2OBF3OH CONF100 water EM64L-G16RevC.01 138 C1[X(BF3H29O15)] 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 0 307.7972096 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2403,1.1993,-1.3026;.3618,.9224,-2.6971;1.5593,1.4837,-.81;-.5538,2.3643,-1.133;-.3667,.1101,-.5916;-1.2267,3.3279,1.7827;3.2046,-.541,1.9199;-.3802,-3.1547,-2.6978;.4678,-2.6691,-2.6154;-2.5653,2.167,2.2501;-1.9274,1.4275,2.3138;-.7237,-3.2318,-1.7816;-2.9399,2.0832,1.3481;-.4528,3.8135,1.4213;-.4167,3.5213,.4978;3.2436,-.262,2.8551;2.6546,.5095,2.8843;2.2188,-2.7075,3.72;2.5667,-1.805,3.5469;1.726,-2.6363,4.5466;-1.8836,-.9784,-3.5682;-1.3696,-1.7767,-3.3078;-1.2795,-.2455,-3.3805;2.6365,-1.0553,.1454;1.8775,-1.5144,.5711;2.3109,-.1627,-.0514;-3.3866,1.9989,-.4465;-3.4451,1.0408,-.628;-2.5081,2.2366,-.7813;-1.5116,-3.2469,-.1426;-.8169,-2.9585,.4834;-2.0747,-2.4641,-.2837;-.5092,.2229,2.1371;.2675,.785,2.3311;-.551,.2568,1.1554;1.6415,2.0943,2.0896;.9407,2.7773,1.9914;1.8478,1.8642,1.1709;.5409,-2.2962,1.5323;.1496,-1.4601,1.8639;1.0627,-2.6283,2.2937;1.9278,-1.5844,-2.5878;2.2361,-1.4971,-1.6643;1.5059,-.7327,-2.7776;-2.9334,-.7893,-.913;-2.0501,-.4155,-.7034;.0931,-.7261,-.7447;-2.8566,-.9203,-1.8786; Optimization 14H2OBF3OH CONF100 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 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 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 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/water/CONF100/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 1 1 1 1 5 5 5 6 6 7 8 8 8 9 10 10 11 12 13 14 14 16 16 18 18 18 21 21 21 24 24 24 25 27 27 28 30 30 31 33 33 33 34 36 36 39 39 42 42 45 45 2 3 4 5 35 46 47 10 14 16 9 12 22 42 11 13 33 30 27 15 37 17 19 19 20 41 22 23 48 25 26 43 39 28 29 45 31 32 39 34 35 40 36 37 38 40 41 43 44 46 48 1.4269 1.4364 1.4201 1.4354 1.7627 1.767 0.9665 1.8325 0.9825 0.9767 0.9807 0.9815 1.8028 1.8191 0.9787 0.9803 1.869 1.8187 1.8513 0.9693 1.8277 0.9711 1.8214 0.9827 0.965 1.8377 0.9845 0.9682 1.9506 0.9839 0.9703 1.9054 1.8225 0.9768 0.9697 1.9215 0.9786 0.9746 1.8391 0.9782 0.9833 1.8279 1.9132 0.9835 0.9693 0.9809 0.981 0.9775 0.9692 0.9818 0.9775 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 2 3 3 4 1 1 1 35 35 46 9 9 12 6 6 11 6 6 15 7 7 17 19 19 20 22 22 23 25 25 26 13 13 28 12 12 31 11 11 11 34 34 35 33 34 34 37 25 25 25 31 31 40 18 9 9 43 28 28 46 21 1 1 1 1 1 1 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 16 16 16 18 18 18 21 21 21 24 24 24 27 27 27 30 30 30 33 33 33 33 33 33 34 36 36 36 39 39 39 39 39 39 41 42 42 42 45 45 45 48 3 4 5 4 5 5 35 46 47 46 47 47 12 22 22 11 13 13 15 37 37 17 19 19 20 41 41 23 48 48 26 43 43 28 29 29 31 32 32 34 35 40 35 40 40 36 37 38 38 31 40 41 40 41 41 39 43 44 44 46 48 48 45 107.1777 108.8759 111.8926 108.0652 111.6355 109.0813 118.1601 126.6685 112.1371 89.3081 106.1887 100.7122 105.2486 97.1523 100.5926 91.0988 95.6589 104.1468 103.3493 101.8685 95.6206 103.3822 96.1373 115.8615 105.3014 92.6614 109.8997 103.696 93.1793 96.9322 104.9581 98.0826 87.1378 103.8412 96.0204 103.3306 105.4551 96.4975 105.4277 102.3259 92.2897 151.7623 102.2346 105.8112 84.1325 159.7922 88.6328 96.3109 102.816 113.2749 96.0411 99.4659 101.847 135.5132 103.7914 162.1032 108.7051 99.8851 104.1092 81.1013 107.1629 101.0209 154.0105 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 10 8 10 8 10 16 8 24 27 30 5 14 33 24 5 10 8 10 8 10 16 8 24 27 30 5 14 33 24 5 6 9 11 12 13 19 22 25 28 31 35 37 40 43 46 6 9 11 12 13 19 22 25 28 31 35 37 40 43 46 14 42 33 30 27 18 21 39 45 39 33 36 39 42 45 14 42 33 30 27 18 21 39 45 39 33 36 39 42 45 1 2 4 1 3 5 1 1 1 1 6 1 7 1 8 1 2 4 1 3 5 1 1 1 1 6 1 7 1 8 -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 -2 169.3562 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 172.986 167.9283 177.2916 171.7532 172.6727 175.0775 182.2058 161.7985 174.6113 188.3703 165.542 176.9355 169.835 170.6081 181.8773 184.185 175.8917 174.0735 183.2689 169.3584 181.81 186.013 174.6177 181.9077 187.0324 181.1134 191.3815 179.7392 184.2681 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 2 2 2 3 3 3 4 4 4 1 1 1 46 46 46 47 47 47 1 1 35 35 47 47 9 9 12 12 9 9 22 22 12 12 22 22 11 11 13 13 6 6 11 11 6 6 6 13 13 13 6 6 15 15 7 7 17 17 19 20 22 23 26 26 26 43 43 43 25 25 26 26 13 13 29 29 12 12 12 32 32 32 11 35 40 11 11 11 34 34 34 35 35 35 33 33 25 31 40 28 46 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 16 16 16 16 18 18 21 21 24 24 24 24 24 24 24 24 24 24 27 27 27 27 30 30 30 30 30 30 33 33 33 33 33 33 33 33 33 33 33 33 34 34 39 39 39 45 45 5 5 5 5 5 5 5 5 5 33 33 33 33 33 33 33 33 33 45 45 45 45 45 45 21 21 21 21 30 30 30 30 42 42 42 42 14 14 14 14 27 27 27 27 33 33 33 33 33 33 36 36 36 36 18 18 18 18 41 41 48 48 39 39 39 39 39 39 42 42 42 42 45 45 45 45 39 39 39 39 39 39 34 34 34 39 39 39 39 39 39 39 39 39 36 36 41 41 41 48 48 35 46 47 35 46 47 35 46 47 11 34 40 11 34 40 11 34 40 28 48 28 48 28 48 23 48 23 48 31 32 31 32 43 44 43 44 15 37 15 37 28 29 28 29 34 35 40 34 35 40 34 38 34 38 20 41 20 41 39 39 45 45 31 40 41 31 40 41 9 44 9 44 46 48 46 48 25 40 41 25 40 41 36 36 36 25 31 41 25 31 41 25 31 41 37 38 18 18 18 21 21 178.1146 -69.4608 54.1164 57.9952 170.4198 -66.0031 -61.3587 51.0659 174.643 76.6608 -27.7957 -131.9494 -57.5582 -162.0147 93.8316 -158.8807 96.6628 -7.4909 -52.6579 54.2093 75.4352 -177.6976 -177.7898 -70.9226 -12.7672 -110.0859 93.8462 -3.4726 -11.9735 95.5517 -111.4756 -3.9504 14.2827 -93.7468 116.0611 8.0316 79.1642 -17.7372 -24.9098 -121.8112 129.5536 24.9476 38.3504 -66.2556 26.6604 -75.6165 -150.283 121.3166 19.0396 -55.6269 17.1395 113.0952 -86.662 9.2937 -151.391 -40.9131 -45.2392 65.2387 -8.5052 98.8194 68.3471 -35.8722 80.6121 -25.0686 -129.7679 -9.6324 -115.313 139.9877 -4.9321 98.2598 -109.2546 -6.0627 -65.2704 -162.2189 31.2133 -65.7353 15.2917 116.53 -118.1323 -84.6987 16.5396 141.8773 -75.4918 19.6273 106.9155 134.9315 21.256 -124.9442 -41.2893 -154.9648 58.835 58.8576 -54.8179 158.9819 61.6063 -41.1378 51.1638 -170.9837 -47.5088 93.3428 9.3578 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00028 0.00048 0.00087 0.00096 0.00143 0.00178 0.00199 0.00222 0.00236 0.00259 0.00278 0.00284 0.00329 0.00343 0.00382 0.00394 0.00408 0.00433 0.00452 0.00507 0.00545 0.00570 0.00590 0.00638 0.00666 0.00702 0.00747 0.00773 0.00807 0.00839 0.00850 0.00909 0.00924 0.00936 0.00992 0.01008 0.01058 0.01115 0.01132 0.01156 0.01157 0.01204 0.01210 0.01240 0.01280 0.01330 0.01352 0.01407 0.01436 0.01497 0.01522 0.01542 0.01574 0.01601 0.01610 0.01682 0.01734 0.01773 0.01855 0.01878 0.01962 0.02003 0.02098 0.02126 0.02217 0.02250 0.02367 0.02409 0.02466 0.02542 0.02783 0.03068 0.03262 0.03263 0.03582 0.03728 0.03811 0.04565 0.05085 0.05490 0.05570 0.05885 0.06106 0.06694 0.06882 0.07066 0.07304 0.07529 0.07861 0.07957 0.08187 0.08389 0.08700 0.08990 0.09514 0.10617 0.12313 0.16674 0.18151 0.19861 0.21410 0.23026 0.27745 0.30294 0.36042 0.38052 0.39816 0.41538 0.42333 0.43421 0.44453 0.45005 0.45399 0.45458 0.45907 0.46085 0.46646 0.46831 0.46986 0.47165 0.47213 0.47513 0.47732 0.47770 0.48462 0.48709 0.50082 0.50327 0.50375 0.50776 0.50814 0.51121 0.51346 0.52137 0.52794 0.54774 0.90601 1.10846 Angle between quadratic step and forces= 72.93 degrees. 1 2 3 0.00148761 0.00000721 0.00000000 0.00000826 0.00000205 0.00000205 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 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 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 2.69654 2.71449 2.68363 2.71251 3.33106 3.33915 1.82639 3.46300 1.85660 1.84573 1.85320 1.85480 3.40677 3.43760 1.84942 1.85245 3.53198 3.43682 3.49840 1.83171 3.45380 1.83510 3.44188 1.85698 1.82363 3.47283 1.86037 1.82965 3.68612 1.85938 1.83358 3.60072 3.44406 1.84592 1.83238 3.63117 1.84931 1.84167 3.47543 1.84861 1.85808 3.45420 3.61547 1.85855 1.83174 1.85363 1.85384 1.84727 1.83149 1.85531 1.84722 1.87060 1.90024 1.95289 1.88609 1.94841 1.90383 2.06228 2.21078 1.95716 1.55872 1.85334 1.75776 1.83693 1.69563 1.75567 1.58997 1.66956 1.81770 1.80379 1.77794 1.66889 1.80436 1.67791 2.02216 1.83786 1.61725 1.91811 1.80984 1.62629 1.69179 1.83186 1.71187 1.52084 1.81237 1.67587 1.80346 1.84054 1.68420 1.84006 1.78592 1.61076 2.64875 1.78433 1.84675 1.46839 2.78890 1.54693 1.68094 1.79448 1.97702 1.67623 1.73601 1.77757 2.36515 1.81150 2.82923 1.89726 1.74332 1.81705 1.41548 1.87034 1.76315 2.68799 2.95582 3.01918 2.93090 3.09432 2.99766 3.01371 3.05568 3.18009 2.82392 3.04754 3.28768 2.88925 3.08811 2.96418 2.97767 3.17436 3.21463 3.06989 3.03816 3.19864 2.95586 3.17318 3.24654 3.04765 3.17489 3.26433 3.16103 3.34024 3.13704 3.21609 3.10869 -1.21232 0.94451 1.01221 2.97439 -1.15197 -1.07091 0.89127 3.04810 1.33798 -0.48513 -2.30295 -1.00458 -2.82769 1.63767 -2.77299 1.68708 -0.13074 -0.91905 0.94613 1.31659 -3.10141 -3.10302 -1.23783 -0.22283 -1.92136 1.63792 -0.06061 -0.20898 1.66769 -1.94562 -0.06895 0.24928 -1.63619 2.02565 0.14018 1.38168 -0.30957 -0.43476 -2.12601 2.26114 0.43542 0.66934 -1.15638 0.46531 -1.31976 -2.62293 2.11737 0.33230 -0.97087 0.29914 1.97388 -1.51254 0.16221 -2.64227 -0.71407 -0.78957 1.13863 -0.14844 1.72472 1.19288 -0.62609 1.40695 -0.43753 -2.26488 -0.16812 -2.01259 2.44325 -0.08608 1.71496 -1.90685 -0.10581 -1.13918 -2.83125 0.54477 -1.14730 0.26689 2.03383 -2.06180 -1.47827 0.28867 2.47623 -1.31758 0.34256 1.86603 2.35500 0.37099 -2.18069 -0.72063 -2.70465 1.02687 1.02726 -0.95675 2.77476 1.07523 -0.71799 0.89298 -2.98423 -0.82918 1.62914 0.16332 0.00010 0.00002 0.00001 -0.00004 -0.00003 0.00001 0.00001 -0.00001 0.00004 -0.00002 -0.00000 0.00001 -0.00001 0.00002 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00002 -0.00002 0.00000 -0.00001 0.00002 0.00000 0.00000 -0.00003 0.00001 -0.00000 -0.00001 0.00002 0.00000 -0.00002 -0.00002 0.00003 -0.00001 0.00000 0.00000 -0.00000 -0.00004 -0.00002 -0.00002 0.00001 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00002 -0.00002 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00003 -0.00002 0.00004 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00003 0.00000 -0.00000 0.00000 -0.00003 0.00002 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00002 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00002 -0.00000 0.00002 0.00002 -0.00002 -0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00004 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00002 0.00001 -0.00001 0.00002 0.00003 0.00002 0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00003 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00002 0.00002 0.00001 -0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00054 -0.00001 -0.00000 -0.00028 -0.00133 0.00198 0.00002 0.00000 0.00007 -0.00004 -0.00012 0.00009 -0.00047 0.00232 0.00005 0.00002 -0.00076 -0.00067 -0.00004 0.00003 0.00130 -0.00002 -0.00035 0.00004 0.00000 0.00120 0.00000 0.00002 -0.00434 0.00022 0.00000 0.00115 -0.00406 0.00009 -0.00001 -0.00149 0.00017 -0.00002 -0.00169 0.00000 0.00017 0.00228 -0.00108 -0.00007 0.00000 -0.00017 -0.00011 -0.00008 0.00004 -0.00019 0.00016 -0.00009 -0.00019 -0.00004 0.00005 0.00015 0.00012 0.00105 0.00103 -0.00000 -0.00260 0.00010 -0.00003 -0.00008 0.00075 0.00043 -0.00140 -0.00206 -0.00012 0.00006 -0.00109 -0.00130 0.00014 0.00026 -0.00084 0.00011 0.00081 0.00449 0.00010 0.00043 0.00126 0.00001 -0.00077 -0.00043 -0.00003 0.00051 0.00006 -0.00044 -0.00020 -0.00007 0.00116 0.00062 0.00056 -0.00046 -0.00151 -0.00277 0.00132 0.00060 0.00009 0.00009 0.00322 0.00111 0.00268 -0.00094 -0.00471 -0.00012 -0.00329 0.00027 -0.00122 -0.00010 0.00035 -0.00094 -0.00019 0.00299 0.00101 -0.00063 0.00103 -0.00092 0.00135 -0.00004 -0.00005 -0.00068 0.00022 -0.00047 -0.00138 -0.00008 -0.00074 -0.00030 -0.00129 -0.00070 0.00093 0.00133 0.00042 -0.00131 -0.00021 0.00131 -0.00095 -0.00029 0.00027 0.00149 -0.00012 -0.00088 0.00006 0.00323 0.00067 -0.00132 -0.00037 0.00071 -0.00128 -0.00033 0.00048 -0.00151 -0.00055 -0.00078 -0.00170 -0.00018 -0.00068 -0.00160 -0.00007 -0.00019 -0.00111 0.00041 0.00081 -0.00000 0.00088 0.00007 0.00075 -0.00006 0.00218 0.00096 0.00230 0.00108 0.00195 0.00163 0.00115 0.00084 -0.00123 -0.00064 -0.00065 -0.00006 -0.00169 -0.00034 -0.00152 -0.00018 0.00012 -0.00020 0.00174 0.00141 -0.00083 -0.00054 0.00422 -0.00295 -0.00266 0.00211 0.00090 0.00102 0.00119 0.00131 -0.00475 0.00049 -0.00463 0.00061 0.00529 0.00645 0.00165 0.00138 -0.00079 -0.00097 -0.00143 0.00010 -0.00008 -0.00054 0.00060 -0.00080 0.00058 -0.00082 0.00223 0.00208 0.00279 0.00264 -0.00065 0.00104 -0.00507 -0.00017 0.00152 -0.00459 0.00836 0.00918 0.00581 -0.00151 -0.00500 0.00169 0.00314 -0.00036 0.00633 0.00233 -0.00116 0.00552 -0.00837 -0.00852 -0.00500 -0.00053 -0.00688 -0.00230 -0.00247 0.00054 -0.00001 -0.00000 -0.00028 -0.00133 0.00198 0.00002 0.00000 0.00007 -0.00004 -0.00012 0.00009 -0.00047 0.00232 0.00005 0.00002 -0.00076 -0.00067 -0.00004 0.00003 0.00130 -0.00002 -0.00035 0.00004 0.00000 0.00120 0.00000 0.00002 -0.00434 0.00022 0.00000 0.00115 -0.00406 0.00009 -0.00001 -0.00149 0.00017 -0.00002 -0.00169 0.00000 0.00017 0.00228 -0.00108 -0.00007 0.00000 -0.00017 -0.00011 -0.00007 0.00004 -0.00019 0.00016 -0.00009 -0.00019 -0.00004 0.00005 0.00015 0.00012 0.00105 0.00103 -0.00000 -0.00260 0.00010 -0.00003 -0.00008 0.00075 0.00043 -0.00140 -0.00206 -0.00013 0.00006 -0.00109 -0.00130 0.00014 0.00026 -0.00084 0.00011 0.00080 0.00449 0.00010 0.00043 0.00126 0.00001 -0.00077 -0.00043 -0.00003 0.00051 0.00006 -0.00045 -0.00020 -0.00007 0.00116 0.00062 0.00056 -0.00046 -0.00151 -0.00277 0.00131 0.00059 0.00009 0.00009 0.00323 0.00111 0.00269 -0.00095 -0.00472 -0.00013 -0.00329 0.00027 -0.00122 -0.00010 0.00036 -0.00095 -0.00019 0.00300 0.00101 -0.00063 0.00102 -0.00092 0.00135 -0.00004 -0.00005 -0.00067 0.00022 -0.00047 -0.00138 -0.00009 -0.00074 -0.00030 -0.00129 -0.00070 0.00093 0.00133 0.00043 -0.00131 -0.00021 0.00131 -0.00095 -0.00029 0.00026 0.00149 -0.00012 -0.00088 0.00006 0.00323 0.00067 -0.00132 -0.00037 0.00071 -0.00128 -0.00033 0.00048 -0.00151 -0.00055 -0.00078 -0.00170 -0.00018 -0.00068 -0.00159 -0.00008 -0.00019 -0.00111 0.00041 0.00081 -0.00000 0.00088 0.00007 0.00075 -0.00006 0.00218 0.00096 0.00230 0.00108 0.00195 0.00163 0.00115 0.00084 -0.00123 -0.00064 -0.00065 -0.00006 -0.00168 -0.00034 -0.00152 -0.00018 0.00012 -0.00020 0.00174 0.00141 -0.00083 -0.00054 0.00422 -0.00295 -0.00266 0.00211 0.00090 0.00102 0.00119 0.00131 -0.00475 0.00049 -0.00463 0.00061 0.00528 0.00645 0.00165 0.00138 -0.00080 -0.00097 -0.00143 0.00009 -0.00008 -0.00054 0.00060 -0.00080 0.00059 -0.00082 0.00223 0.00208 0.00279 0.00264 -0.00065 0.00104 -0.00507 -0.00018 0.00151 -0.00459 0.00836 0.00917 0.00581 -0.00151 -0.00500 0.00169 0.00313 -0.00036 0.00633 0.00233 -0.00116 0.00553 -0.00837 -0.00852 -0.00500 -0.00053 -0.00687 -0.00230 -0.00247 2.69708 2.71448 2.68363 2.71223 3.32973 3.34113 1.82641 3.46301 1.85668 1.84570 1.85309 1.85489 3.40630 3.43992 1.84947 1.85247 3.53122 3.43614 3.49837 1.83174 3.45510 1.83508 3.44153 1.85703 1.82363 3.47403 1.86037 1.82967 3.68178 1.85960 1.83358 3.60187 3.44000 1.84601 1.83236 3.62968 1.84948 1.84165 3.47374 1.84861 1.85825 3.45647 3.61439 1.85848 1.83175 1.85347 1.85374 1.84720 1.83152 1.85512 1.84739 1.87051 1.90005 1.95286 1.88614 1.94856 1.90395 2.06334 2.21181 1.95716 1.55612 1.85344 1.75773 1.83685 1.69638 1.75611 1.58857 1.66750 1.81758 1.80384 1.77685 1.66760 1.80450 1.67817 2.02132 1.83796 1.61805 1.92260 1.80994 1.62672 1.69304 1.83187 1.71109 1.52041 1.81234 1.67638 1.80352 1.84009 1.68400 1.83999 1.78708 1.61138 2.64931 1.78387 1.84524 1.46562 2.79021 1.54753 1.68104 1.79457 1.98025 1.67734 1.73870 1.77661 2.36043 1.81137 2.82594 1.89753 1.74211 1.81695 1.41584 1.86940 1.76295 2.69099 2.95683 3.01855 2.93192 3.09341 2.99901 3.01367 3.05563 3.17942 2.82414 3.04707 3.28630 2.88917 3.08736 2.96388 2.97638 3.17366 3.21557 3.07122 3.03858 3.19733 2.95566 3.17449 3.24559 3.04736 3.17515 3.26582 3.16091 3.33936 3.13710 3.21931 3.10935 -1.21364 0.94414 1.01292 2.97311 -1.15230 -1.07043 0.88976 3.04754 1.33720 -0.48683 -2.30313 -1.00526 -2.82928 1.63760 -2.77318 1.68598 -0.13033 -0.91825 0.94613 1.31747 -3.10134 -3.10226 -1.23789 -0.22065 -1.92041 1.64023 -0.05953 -0.20703 1.66932 -1.94447 -0.06811 0.24805 -1.63683 2.02500 0.14012 1.37999 -0.30992 -0.43628 -2.12619 2.26126 0.43522 0.67108 -1.15497 0.46448 -1.32030 -2.61871 2.11443 0.32965 -0.96877 0.30004 1.97490 -1.51135 0.16352 -2.64702 -0.71357 -0.79421 1.13924 -0.14316 1.73118 1.19453 -0.62471 1.40615 -0.43850 -2.26630 -0.16802 -2.01267 2.44271 -0.08548 1.71415 -1.90627 -0.10663 -1.13696 -2.82918 0.54756 -1.14466 0.26624 2.03487 -2.06686 -1.47845 0.29019 2.47164 -1.30922 0.35174 1.87184 2.35349 0.36598 -2.17900 -0.71750 -2.70501 1.03320 1.02959 -0.95792 2.78029 1.06687 -0.72651 0.88798 -2.98476 -0.83606 1.62684 0.16086 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000096 0.000014 0.007074 0.001487 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.037339e-06 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 611 A 592 A 592 916 611 91 91 2119.2180255233 48 48 48 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) -0.0627589330 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 1.426947 0.000000 1.436447 2.304405 0.000000 1.420116 2.316050 2.311984 0.000000 1.435400 2.371497 2.375749 2.325912 0.000000 4.025177 5.327162 4.229075 3.143641 4.090393 0.000000 4.711693 5.616023 3.776047 5.646844 4.414267 5.884191 0.000000 4.614017 4.144101 5.370347 5.739246 3.885286 7.925692 6.403599 0.000000 4.091416 3.594007 4.657963 5.345727 3.537807 7.627508 5.708578 0.980674 0.000000 4.629134 5.881449 5.181050 3.940804 4.139970 1.832542 6.382321 7.587923 7.500644 0.000000 4.222415 5.532129 4.681694 3.826804 3.551362 2.093990 5.510695 6.964653 6.842173 0.978672 0.000000 4.559969 4.390211 5.328429 5.636173 3.565365 7.482489 6.031038 0.981516 1.559297 6.985173 6.319015 0.000000 4.233294 5.349044 5.025897 3.453689 3.778450 2.161809 6.705862 7.096284 7.064400 0.980273 1.545214 6.554076 0.000000 3.838442 5.097347 3.801972 2.938438 4.215925 0.982473 5.708452 8.094933 7.691929 2.803664 2.943456 7.743885 3.030651 0.000000 3.010760 4.191380 3.125189 2.004179 3.581305 1.531190 5.624828 7.401535 6.985368 3.085666 3.156624 7.134043 3.026176 0.969297 0.000000 5.333106 6.366717 4.395173 6.101117 5.005280 5.832818 0.976720 7.234310 6.589817 6.325352 5.466940 6.786652 6.782901 5.685883 5.767937 0.000000 4.882105 6.048127 3.974503 5.465662 4.622759 4.921573 1.528413 7.334652 6.718063 5.513388 4.707820 6.868869 6.011300 4.765808 4.919347 0.971091 0.000000 6.663647 7.602922 6.206627 7.547389 5.763128 7.214673 2.984326 6.938572 6.573036 6.986372 6.022226 6.261093 7.428992 7.412494 7.491831 2.789035 3.352241 0.000000 6.160785 7.161559 5.550914 7.001595 5.422125 6.621855 2.156788 7.035850 6.567046 6.617842 5.671571 6.423086 7.090550 6.723278 6.824033 1.821365 2.409024 0.982672 0.000000 7.150695 8.185198 6.759856 7.903307 6.190582 7.206234 3.671037 7.562245 7.271785 6.838206 5.903189 6.811955 7.367194 7.490960 7.674697 3.286572 3.677179 0.965021 1.548360 0.000000 3.792980 3.068233 5.052112 4.344308 3.513749 6.899936 7.496735 2.784596 3.048827 6.649125 6.355173 3.100813 5.887234 7.064341 6.239559 8.249940 8.027772 8.540396 8.432912 9.034893 0.000000 3.933093 3.264340 5.044593 4.748000 3.455973 7.210484 7.055475 1.802784 2.156848 6.918963 6.494609 2.205436 6.248349 7.379343 6.592373 7.845910 7.730711 7.945695 7.904628 8.486153 0.984463 0.000000 2.952097 2.127184 4.201959 3.519813 2.955966 6.279391 6.949012 3.120645 3.084217 6.259095 5.970179 3.432705 5.526209 6.341570 5.474861 7.703377 7.436081 8.289586 8.075545 8.808449 0.968210 1.535566 0.000000 3.594717 4.143163 2.918868 4.848388 3.304678 6.067786 1.932863 4.646772 3.863923 6.470839 5.629886 4.443180 6.511027 5.905657 5.512898 2.887952 3.154423 3.960044 3.483802 4.764377 5.850559 5.338047 5.331361 0.000000 3.681763 4.349333 3.316233 4.884683 3.004551 5.878127 2.127933 4.298113 3.670726 6.009161 5.115565 3.905238 6.062513 5.877030 5.534214 2.941354 3.170349 3.384615 3.068363 4.133579 5.618485 5.065441 5.214597 0.983942 0.000000 2.776342 3.460680 1.962422 3.970234 2.745175 5.297491 2.197218 4.816403 4.031498 5.873829 5.107475 4.649915 5.879969 5.061337 4.616692 3.054131 3.031248 4.550609 3.963606 5.253828 5.534220 5.172572 4.897024 0.970289 1.549983 0.000000 3.811309 4.502680 4.985900 2.937536 3.564821 3.376551 7.449459 6.376976 6.430375 2.823893 3.174085 6.019397 1.851276 3.922820 3.468380 7.744175 7.057550 8.422036 8.115319 8.517926 4.568170 5.148754 4.252623 6.779098 6.410077 6.106550 0.000000 3.749913 4.334449 5.027228 3.219604 3.216173 3.995458 7.294668 5.592855 5.746611 3.213327 3.332682 5.195383 2.290555 4.565168 4.073226 7.653003 7.058697 8.064441 7.853036 8.187702 3.893644 4.407623 3.730994 6.479036 6.024684 5.908669 0.976821 0.000000 2.983521 3.692426 4.136621 1.989780 3.023833 3.067094 6.902633 6.104699 6.023763 3.032659 3.251305 5.838504 2.178072 3.400302 2.767750 7.249073 6.563030 8.188388 7.798792 8.370150 4.300424 4.877084 3.798172 6.177604 5.927270 5.432542 0.969652 1.526822 0.000000 4.917684 5.236305 5.679344 5.777942 3.575172 6.856865 5.815402 2.796083 3.219756 6.012068 5.296823 1.818685 5.715963 7.308607 6.886075 6.364609 6.374199 5.396918 5.685464 5.730959 4.125491 3.492960 4.421176 4.700369 3.872601 4.912477 5.579067 4.728490 5.609791 0.000000 4.646978 5.154268 5.201181 5.569048 3.282413 6.432332 4.907194 3.217093 3.367021 5.696299 4.880551 2.283388 5.538335 6.846253 6.492154 5.420691 5.462853 4.444577 4.707937 4.804178 4.634039 4.009459 4.743858 3.957614 3.058243 4.229137 5.660649 4.912917 5.607861 0.978610 0.000000 4.451733 4.819751 5.391520 5.133069 3.104595 6.207806 6.035368 3.029287 3.455911 5.301622 4.681100 2.158366 4.908071 6.704132 6.259798 6.556385 6.422254 5.875657 6.054005 6.148761 3.610009 3.180463 3.891667 4.936086 4.153628 4.958247 4.654621 3.779015 4.746781 0.974572 1.553993 0.000000 3.653298 4.961644 3.814964 3.909120 2.734744 3.206449 3.797833 5.899338 5.648442 2.831850 1.869044 5.228567 3.160915 3.661618 3.684482 3.851603 3.263520 4.305292 3.944802 4.356302 5.990285 5.863990 5.590792 3.936594 3.341768 3.590512 4.255378 4.115100 4.070291 4.271035 3.598720 3.940973 0.000000 3.657312 5.030974 3.467459 3.894710 3.065914 2.999969 3.248662 6.421171 6.036458 3.152992 2.287116 5.833696 3.597138 3.243157 3.364021 3.198143 2.465811 4.234920 3.670488 4.329114 6.522235 6.406265 6.006468 3.711628 3.313163 3.278722 4.747756 4.754500 4.415664 5.053819 4.313206 4.783320 0.978242 0.000000 2.748773 4.014685 3.133880 3.110981 1.762719 3.206559 3.914784 5.149239 4.880287 2.984059 2.146382 4.563550 3.013284 3.567941 3.332802 4.190179 3.650921 4.799646 4.437404 5.005559 5.061030 4.972442 4.621355 3.591922 3.062042 3.134132 3.693418 3.488665 3.391219 3.857910 3.295473 3.434517 0.983253 1.526895 0.000000 3.777786 5.091566 2.964371 3.908672 3.893483 3.137270 3.068723 7.386477 6.797451 4.210506 3.637613 6.996343 4.641066 2.790731 2.967587 2.950484 2.041995 5.103869 4.264301 5.331327 7.340311 7.292769 6.627935 3.832807 3.922363 3.182239 5.632306 5.862491 5.047938 6.591983 5.844213 6.342129 2.851345 1.913224 3.009409 0.000000 3.719000 5.075218 3.147043 3.487955 3.936408 2.245937 4.017676 7.676132 7.149108 3.568141 3.186256 7.288053 3.994352 1.827670 2.151030 3.909920 2.979623 5.891156 5.105017 6.037689 7.279567 7.359238 6.551629 4.579596 4.616724 3.833353 5.027398 5.395524 4.458058 6.845401 6.185694 6.460772 2.940849 2.130238 3.045860 0.983503 0.000000 3.023935 4.249302 2.037630 3.365371 3.329738 3.459629 2.861264 6.717178 6.065562 4.553175 3.968473 6.426426 4.795949 3.025711 2.885659 3.050553 2.328522 5.247493 4.429997 5.627143 6.668075 6.608067 5.911495 3.193314 3.431573 2.411847 5.480183 5.650487 4.787825 6.255729 5.552583 6.019623 3.030299 2.237791 2.887543 0.969316 1.526363 0.000000 4.510540 5.317812 4.561892 5.479265 3.335334 5.900625 3.213491 4.413561 4.165048 5.484792 4.535258 3.668321 5.597197 6.190894 5.985843 3.632155 3.763998 2.787634 2.898983 3.256779 5.799130 5.229402 5.626237 2.802674 1.822520 3.192603 6.147167 5.629390 5.932501 2.814571 1.839121 3.188612 2.795430 3.194766 2.802110 4.560556 5.109909 4.375736 0.000000 4.136073 5.150181 4.219343 4.909412 2.959962 4.982521 3.190770 4.895146 4.650527 4.546975 3.585263 4.146313 4.729255 5.326230 5.196268 3.462772 3.345967 3.046790 2.965450 3.326494 5.820180 5.399588 5.569708 3.049920 2.158710 3.165899 5.459560 5.038433 5.265511 3.158899 2.255050 3.250844 1.827882 2.296196 1.985064 3.861414 4.312500 3.796655 0.980901 0.000000 5.316038 6.165002 5.175749 6.267549 4.226923 6.401528 3.014087 5.222498 4.945163 6.013252 5.038929 4.490388 6.254098 6.674926 6.575133 3.266673 3.567788 1.837742 2.123828 2.348583 6.764997 6.165926 6.584862 3.092978 2.207272 3.624475 6.979667 6.505310 6.772998 3.597933 2.630405 4.063642 3.259647 3.504961 3.496258 4.762406 5.415516 4.696786 0.981012 1.543807 0.000000 3.499771 2.957739 3.565039 4.885434 3.481543 7.292678 4.799835 2.793764 1.819098 7.593800 6.925284 3.224058 7.255145 7.132801 6.409814 5.753749 5.903965 6.413662 6.171860 7.214434 3.981876 3.380607 3.564809 2.872785 3.160109 2.932785 6.757753 6.292876 6.127055 4.535780 4.342168 4.701441 5.615238 5.706702 4.852396 5.957654 6.400633 5.101671 4.405194 4.795396 5.066328 0.000000 3.374094 3.230098 3.173769 4.793387 3.241674 6.866836 3.833866 3.265151 2.324917 7.197289 6.458552 3.432725 6.977388 6.704681 6.074221 4.792239 4.989115 5.518731 5.230756 6.335139 4.567944 3.972498 4.107479 1.905417 2.264058 2.094622 6.731932 6.307973 6.101439 4.407197 4.008686 4.628692 4.994630 5.004647 4.335252 5.229137 5.771715 4.414435 3.705496 4.099205 4.280483 0.977534 0.000000 2.740467 2.013679 2.964234 4.066829 2.999312 6.689715 4.998848 3.070854 2.203126 7.089454 6.509693 3.494107 6.687000 6.491129 5.702737 5.913411 5.909278 6.828390 6.501859 7.570765 3.489220 3.104830 2.891306 3.150607 3.458737 2.899116 6.068923 5.681418 5.377232 4.729747 4.580831 4.694540 5.397100 5.471365 4.547313 5.630315 5.948357 4.738276 4.685175 4.890043 5.432115 0.969182 1.535183 0.000000 3.765410 4.119629 5.036006 3.956762 2.738590 5.208741 6.764752 3.911486 4.242626 4.345065 4.041996 3.406349 3.655614 5.726015 5.187014 7.254803 6.879843 7.189545 7.153563 7.411409 2.861509 3.025829 3.019880 5.675832 5.086540 5.351409 2.862976 1.921534 3.058437 2.941929 3.336872 1.984534 4.025447 4.821661 3.323864 6.185522 6.013705 5.851732 4.507819 4.203091 5.443668 5.202748 5.271546 4.815355 0.000000 2.865663 3.403196 4.079918 3.185992 1.767004 4.568588 5.874452 3.777490 3.882506 3.956971 3.537651 3.294452 3.353199 4.994953 4.428214 6.380446 5.988463 6.560777 6.427351 6.837703 2.924330 3.016404 2.790923 4.805635 4.272913 4.416684 2.771509 2.018056 2.692450 2.936254 3.065301 2.091345 3.294016 4.002613 2.480778 5.265754 5.138171 4.889066 3.904912 3.538509 4.854770 4.554192 4.523751 4.128903 0.981789 0.000000 2.009974 2.569362 2.652789 3.181215 0.966484 4.956307 4.100736 3.152272 2.723046 4.940210 4.251434 2.832106 4.633696 5.059374 4.454697 4.806266 4.610655 5.327163 5.069607 5.857806 3.455904 3.132531 3.010368 2.714753 2.353072 2.390990 4.429713 3.956539 3.942732 3.048324 2.705539 2.816506 3.093318 3.431426 2.234106 4.287914 4.525364 3.668532 2.801855 2.710539 3.713576 2.738586 2.456124 2.475625 3.031809 2.165933 0.000000 3.796712 3.797839 5.140164 4.080137 2.986224 5.840327 7.163140 3.434540 3.827854 5.163525 4.894013 3.146678 4.409026 6.251082 5.597162 7.749462 7.423159 7.765208 7.722119 8.076429 1.950609 2.233170 2.279954 5.855706 5.363347 5.533136 3.294429 2.399241 3.360295 3.199356 3.727395 2.353391 4.789907 5.512712 3.988265 6.713269 6.562685 6.259693 5.006977 4.830641 5.973791 4.882044 5.129724 4.458134 0.977509 1.512073 3.166062 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9238,.6795,-1.4141;-1.9928,.0383,-2.1087;.2431,.5789,-2.2457;-1.2369,2.056,-1.2592;-.7028,.1,-.1196;.7585,3.894,.3292;3.4073,-1.1536,-1.1299;-2.4513,-3.352,.23;-1.89,-3.2035,-.5603;.3569,3.4548,2.0624;.7728,2.5753,1.9558;-1.9034,-3.0675,.993;-.5961,3.2902,1.9021;.9149,3.9584,-.6386;.1806,3.4523,-1.0182;4.1946,-.6837,-.7933;3.883,.23,-.688;4.2898,-2.2904,1.4845;4.3563,-1.6499,.7422;4.6793,-1.8409,2.2444;-4.0158,-1.0702,-.0857;-3.5116,-1.9083,.0267;-3.508,-.5848,-.7519;1.6279,-1.8525,-1.4145;1.5326,-1.8826,-.4356;1.2852,-.9823,-1.6729;-2.3187,2.9282,1.3288;-2.5073,2.0442,1.6991;-2.0817,2.7389,.4078;-1.0227,-2.3852,2.4305;-.1082,-2.2221,2.1228;-1.4581,-1.5134,2.423;1.4409,.935,1.3589;2.0525,1.2059,.6451;.6163,.7352,.862;2.6598,1.8219,-1.0615;2.1789,2.6649,-.902;2.0282,1.3108,-1.5901;1.5376,-1.8586,1.3867;1.5875,-.8831,1.477;2.4582,-2.156,1.5494;-1.0151,-2.7531,-2.0903;-.0829,-2.5559,-1.8719;-1.408,-1.8829,-2.2567;-2.4564,.1445,1.9834;-1.7718,.2116,1.2829;-.5675,-.8558,-.1668;-3.2004,-.2424,1.4811; 0.2244633 0.2069939 0.1607510 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= 592 RedAO= T EigKep= 1.10D-04 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 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= 598 598 598 598 598 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.49486452212 -1471.49486452 1 1.466646058317e+03 -7.737581979070e+03 2.680274114521e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 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= 48. Will process 49 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 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. 14963 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 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= 800000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 4.56D-14 1.00D-09 XBig12= 7.29D+01 1.15D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 4.56D-14 1.00D-09 XBig12= 3.34D+00 1.79D-01. 144 vectors produced by pass 2 Test12= 4.56D-14 1.00D-09 XBig12= 3.66D-02 2.00D-02. 144 vectors produced by pass 3 Test12= 4.56D-14 1.00D-09 XBig12= 1.13D-04 7.14D-04. 144 vectors produced by pass 4 Test12= 4.56D-14 1.00D-09 XBig12= 1.98D-07 3.84D-05. 93 vectors produced by pass 5 Test12= 4.56D-14 1.00D-09 XBig12= 2.88D-10 1.59D-06. 8 vectors produced by pass 6 Test12= 4.56D-14 1.00D-09 XBig12= 2.58D-13 5.34D-08. 3 vectors produced by pass 7 Test12= 4.56D-14 1.00D-09 XBig12= 3.29D-16 2.05D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 824 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 188.34 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 190.360 -1.670 188.101 0.423 -0.725 186.570 177.582 -1.224 176.773 0.808 -0.564 174.065 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT29870.500S Wed Nov 6 00:58:23 2024 -24.65511 -24.65107 -24.65100 -19.12595 -19.12536 -19.12281 -19.12244 -19.12243 -19.12168 -19.12148 -19.12033 -19.12001 -19.11879 -19.11750 -19.11559 -19.11518 -19.11165 -19.10862 -6.86224 -1.20558 -1.16460 -1.16003 -1.02929 -1.02212 -1.01979 -1.01545 -1.01465 -1.01173 -1.01126 -1.00756 -1.00527 -1.00300 -1.00195 -0.99729 -0.99511 -0.99014 -0.98670 -0.58491 -0.54544 -0.54032 -0.53830 -0.53371 -0.53149 -0.52978 -0.52770 -0.52592 -0.52546 -0.52118 -0.52046 -0.51882 -0.51717 -0.51490 -0.51443 -0.50379 -0.49995 -0.44569 -0.43384 -0.42845 -0.42735 -0.42144 -0.41798 -0.41396 -0.41373 -0.41087 -0.40705 -0.40330 -0.39966 -0.39953 -0.39675 -0.39404 -0.38775 -0.38461 -0.38305 -0.38160 -0.37666 -0.36124 -0.32852 -0.32665 -0.32433 -0.32267 -0.32107 -0.32059 -0.31990 -0.31967 -0.31868 -0.31696 -0.31600 -0.31515 -0.31363 -0.31110 -0.30919 -0.00726 0.01994 0.02249 0.02763 0.04973 0.06090 0.06783 0.06889 0.07147 0.08385 0.09755 0.09863 0.10596 0.11016 0.11314 0.11547 0.11586 0.12945 0.13104 0.13666 0.14154 0.14512 0.14803 0.15118 0.15339 0.15670 0.15860 0.16326 0.16621 0.17154 0.17358 0.18058 0.18274 0.18974 0.19038 0.19606 0.19860 0.19992 0.20405 0.20593 0.20975 0.21296 0.21647 0.22134 0.22323 0.22683 0.23022 0.23591 0.24095 0.24402 0.24859 0.24906 0.25127 0.25205 0.25511 0.25804 0.26104 0.26132 0.26413 0.26654 0.26925 0.26979 0.27154 0.27342 0.27662 0.27777 0.28148 0.28474 0.28778 0.28930 0.29282 0.29907 0.30052 0.30465 0.31076 0.31692 0.32346 0.33584 0.33802 0.35187 0.35751 0.36301 0.36891 0.37190 0.37660 0.39274 0.39768 0.41509 0.41688 0.43702 0.44635 0.45534 0.45816 0.47626 0.48342 0.48553 0.49237 0.49661 0.49805 0.50137 0.51330 0.51917 0.52231 0.52372 0.53099 0.53577 0.53910 0.54498 0.55314 0.55626 0.55891 0.56036 0.56391 0.57224 0.57926 0.58156 0.58439 0.58690 0.59438 0.60450 0.61233 0.61436 0.62304 0.62829 0.64177 0.64663 0.64957 0.65937 0.66830 0.67310 0.67548 0.68250 0.68317 0.69024 0.69633 0.70545 0.71879 0.72651 0.74184 0.77261 0.77744 0.82610 0.92383 0.95323 0.96147 0.96438 0.97825 0.98163 0.98302 0.99487 0.99776 1.00463 1.01674 1.01895 1.02015 1.02788 1.02904 1.03516 1.03696 1.04351 1.05253 1.05743 1.05839 1.06260 1.06498 1.06602 1.06781 1.07990 1.08605 1.08731 1.09185 1.09804 1.09986 1.10265 1.10854 1.11245 1.11546 1.12665 1.13334 1.14348 1.14518 1.15851 1.16871 1.17803 1.19391 1.20107 1.21331 1.23349 1.24205 1.25615 1.26010 1.26903 1.28022 1.28776 1.29459 1.29972 1.30468 1.31288 1.32401 1.33106 1.33139 1.33732 1.34240 1.35107 1.35826 1.35987 1.36689 1.37218 1.37491 1.37887 1.39101 1.39198 1.39903 1.40712 1.40880 1.41659 1.42275 1.43117 1.43846 1.44313 1.45434 1.45564 1.46378 1.46610 1.47372 1.47626 1.48432 1.49321 1.49936 1.50909 1.51575 1.52298 1.53393 1.53857 1.54774 1.55048 1.55810 1.56533 1.56860 1.58079 1.58739 1.59411 1.60565 1.61097 1.61537 1.62952 1.64096 1.64718 1.65741 1.66297 1.66544 1.67645 1.68879 1.69285 1.70018 1.70425 1.71373 1.72172 1.72956 1.74919 1.75444 1.76483 1.77533 1.78372 1.78659 1.79211 1.80033 1.81884 1.83230 1.83565 1.85614 1.86353 1.88299 1.91260 2.02858 2.05860 2.08053 2.11221 2.13946 2.16279 2.17334 2.18278 2.20676 2.20834 2.22960 2.23597 2.24856 2.26788 2.27487 2.27878 2.28736 2.30558 2.31010 2.32218 2.33195 2.34574 2.36141 2.36728 2.37437 2.38653 2.38798 2.40637 2.41530 2.42783 2.43223 2.45481 2.48125 2.49372 2.53818 2.57329 2.62200 2.62999 2.65881 2.68262 2.69192 2.70183 2.70755 2.71878 2.72656 2.73133 2.73710 2.74129 2.74801 2.76066 2.76460 2.77585 2.78100 2.79465 2.79912 2.80528 2.81632 2.83286 2.84564 2.85549 2.87776 2.89277 2.92067 2.95715 3.08487 3.08803 3.09365 3.09894 3.10055 3.10347 3.10844 3.10978 3.11326 3.12750 3.12936 3.13279 3.13670 3.14059 3.14285 3.14491 3.14984 3.15161 3.15776 3.15911 3.16037 3.16934 3.17043 3.17343 3.17775 3.18450 3.19829 3.21275 3.21878 3.23284 3.25772 3.32052 3.32459 3.32768 3.33680 3.34177 3.35281 3.35405 3.36648 3.37145 3.38719 3.39496 3.39693 3.40264 3.41378 3.57309 3.67541 3.68381 3.69652 3.70981 3.71202 3.71667 3.73284 3.73963 3.75773 3.77158 3.78164 3.79059 3.79961 3.80500 3.81940 3.81974 3.83084 3.84502 3.85911 3.87588 3.89404 3.91455 3.91802 3.92280 3.93231 3.93666 3.94244 3.94617 3.94867 3.95210 3.95839 3.96126 3.96820 3.98421 3.98529 4.00380 4.01854 4.02621 4.09604 4.21741 4.23294 4.39111 4.65402 4.66595 5.01418 5.02728 5.03701 5.04470 5.04740 5.05509 5.06027 5.06075 5.06828 5.07638 5.14118 5.15893 5.20173 5.23516 5.27257 5.35163 5.36072 5.37592 5.39335 5.40747 5.42268 5.43223 5.43699 5.44531 5.45698 5.47902 5.49992 5.51533 5.51811 5.56676 5.59497 5.65981 5.67003 5.68591 5.69695 5.70336 5.70577 5.72123 5.72671 5.74037 5.74470 5.75647 5.76286 5.76372 5.78951 6.40100 6.41439 6.41925 6.45087 6.45417 6.49977 6.52824 6.65026 6.67226 14.58564 49.87790 49.90210 49.91281 49.91474 49.92057 49.92616 49.93604 49.93923 49.94105 49.94961 49.95756 49.96354 49.97454 49.98195 49.99962 66.86352 66.86959 66.88103 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 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 0.986192 -0.397916 -0.447888 -0.444117 -0.879190 0.386762 0.359253 -0.846915 0.413002 -0.794623 0.387202 0.420420 0.392571 -0.722839 0.323735 -0.700613 0.354146 -0.724311 0.390641 0.318433 -0.720432 0.404654 0.314036 -0.715119 0.418583 0.304872 -0.671134 0.356194 0.305793 -0.762148 0.387915 0.363402 -0.766252 0.381162 0.383169 -0.750542 0.420372 0.299168 -0.849230 0.383031 0.448621 -0.704320 0.375509 0.306161 -0.796305 0.390877 0.342460 0.375557 -1.00000 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 0.986192 -0.397916 -0.447888 -0.444117 -0.536730 -0.013493 -0.014850 -0.012341 0.012786 -0.015237 -0.001742 0.008336 -0.009146 -0.010831 -0.001921 -0.031002 -0.017577 -0.022650 -0.029871 -1.00000 2.21987967e+00 2.26847078e-01 -3.51948072e-01 1.90360245e+02 -1.66982171e+00 1.88100950e+02 4.22766847e-01 -7.25063754e-01 1.86569538e+02 -13.2578 -8.5424 -0.0009 0.0004 0.0008 16.9361 34.0183 39.8560 45.2471 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 33.5302 39.5433 45.1808 47.2873 51.0553 55.3595 60.4466 64.4471 66.3313 70.9961 74.2080 77.2425 83.1982 85.0375 96.6120 100.8716 104.3605 115.3650 126.2330 128.1081 134.2870 134.5615 139.1318 155.7781 160.2265 166.1797 169.1530 180.7407 182.0607 195.2769 195.9104 199.1320 206.8579 211.5854 212.5277 216.9855 220.5066 223.9831 230.8474 233.8564 242.9708 246.1887 257.0382 351.7966 358.7006 364.0240 371.6240 386.8073 397.8779 404.7259 414.7657 418.7458 445.6141 461.5185 470.7107 476.4278 483.2658 494.1750 501.8105 504.1372 512.5737 517.7483 529.7697 532.6198 539.4031 554.3836 560.2102 572.8585 575.2051 589.4345 608.2280 619.5721 627.9807 655.4897 672.4139 679.4695 682.6591 688.3373 705.3826 714.2840 743.8163 750.5340 757.1747 768.1910 781.0570 791.7445 840.6496 855.3373 889.6452 905.4565 920.4978 925.7704 944.6356 1055.4203 1212.0251 1614.1009 1632.0326 1639.4844 1645.6179 1646.6011 1647.1316 1650.5645 1653.2919 1656.9085 1658.8912 1660.1267 1666.2719 1675.7972 1685.0484 3380.3243 3395.4286 3410.7186 3423.2438 3437.2501 3451.6335 3455.9748 3468.7577 3478.5203 3484.6129 3496.5227 3499.6569 3532.1795 3543.0514 3554.8617 3562.4106 3576.9500 3582.6717 3584.4600 3631.9379 3710.4143 3732.2901 3742.9432 3755.6331 3757.7866 3765.8885 3769.3727 3811.4729 3830.7887 6.2397 6.2106 7.5383 6.9877 8.1544 6.1001 7.2046 7.2372 8.3562 7.1302 7.5174 7.4436 6.3764 8.6087 7.3334 7.5922 7.9836 7.9830 7.0969 7.0491 7.2850 6.2578 6.7171 7.5472 7.6587 6.9633 6.0604 7.8348 7.4876 7.7174 7.5499 7.7674 7.3701 6.6846 6.6800 6.8469 6.7589 7.0514 6.5906 4.9598 6.3003 1.3153 4.3133 2.1170 1.0865 3.3699 1.6612 1.2091 1.0454 1.0488 1.0429 1.0876 1.0659 1.1383 1.0742 1.0470 1.2765 1.1377 1.5276 2.1438 4.7785 1.6370 1.0492 1.1472 1.1233 1.0457 1.1234 1.1190 1.0491 1.0497 1.0818 1.0433 1.0579 1.0456 1.0593 1.0459 1.0472 1.0531 1.0548 1.0436 6.9531 1.0564 1.0836 1.0324 1.0595 1.0530 1.0385 1.0439 1.3896 1.7346 1.1033 1.8894 2.1324 7.7839 1.3239 1.0735 1.0722 1.0721 1.0793 1.0738 1.0725 1.0729 1.0726 1.0744 1.0715 1.0697 1.0740 1.0710 1.0649 1.0615 1.0607 1.0615 1.0665 1.0645 1.0614 1.0614 1.0564 1.0667 1.0709 1.0796 1.0627 1.0742 1.0564 1.0625 1.0675 1.0639 1.0648 1.0605 1.0717 1.0701 1.0667 1.0684 1.0663 1.0681 1.0655 1.0665 1.0647 1.0674 0.0041 0.0057 0.0091 0.0092 0.0125 0.0110 0.0155 0.0177 0.0217 0.0212 0.0244 0.0262 0.0260 0.0367 0.0403 0.0455 0.0512 0.0626 0.0666 0.0682 0.0774 0.0668 0.0766 0.1079 0.1158 0.1133 0.1022 0.1508 0.1462 0.1734 0.1707 0.1815 0.1858 0.1763 0.1778 0.1899 0.1936 0.2084 0.2069 0.1598 0.2191 0.0470 0.1679 0.1544 0.0824 0.2631 0.1352 0.1066 0.0975 0.1012 0.1057 0.1124 0.1247 0.1429 0.1402 0.1400 0.1756 0.1637 0.2266 0.3210 0.7397 0.2585 0.1735 0.1917 0.1926 0.1893 0.2077 0.2164 0.2045 0.2149 0.2358 0.2360 0.2458 0.2647 0.2822 0.2845 0.2875 0.2940 0.3092 0.3137 2.2665 0.3506 0.3660 0.3589 0.3808 0.3889 0.4324 0.4500 0.6480 0.8379 0.5508 0.9541 1.1211 5.1086 1.1458 1.6478 1.6826 1.6979 1.7221 1.7153 1.7144 1.7222 1.7273 1.7379 1.7373 1.7370 1.7568 1.7721 1.7814 7.1463 7.2049 7.2752 7.3633 7.4101 7.4506 7.4695 7.4891 7.6048 7.6613 7.7767 7.6688 7.8959 7.8134 7.9106 7.9816 8.0204 8.0526 8.0282 8.3292 8.6802 8.7547 8.8189 8.8612 8.8865 8.9030 8.9278 9.1130 9.2289 3.2954 3.5246 2.8255 1.3610 4.5350 1.0151 1.9921 1.4236 0.9424 0.8070 8.5596 3.3491 0.8470 0.0637 0.5448 7.7093 14.9718 2.5089 4.6810 20.2614 27.6964 6.0704 16.4168 44.6589 42.2517 16.8921 12.8512 13.8208 14.3222 76.9857 26.4362 15.6272 49.0134 34.1099 20.4174 133.6022 5.8034 37.2262 9.6700 52.3536 35.4878 138.5622 41.5268 25.0819 6.5321 34.6341 39.2819 27.1631 37.9051 79.8270 55.2363 19.5864 159.4254 42.7801 234.1019 11.9208 21.1373 280.8677 21.3618 61.6746 54.2441 7.3670 114.1184 55.1181 21.6495 98.5047 304.5434 110.5116 77.7338 103.7026 236.3043 262.1518 237.0870 95.6448 471.1199 732.5071 69.9757 913.7461 53.0877 426.2720 90.7547 679.8513 419.4098 128.6213 30.9215 324.6993 187.4263 83.6275 42.6920 385.4436 52.6901 384.9483 630.0796 820.8302 240.6288 175.2497 152.8355 214.1850 394.9843 105.5324 156.4582 200.3235 117.7725 176.8657 16.8646 115.8799 62.9733 110.8505 147.4968 973.0385 437.9680 756.3201 660.0472 1134.7990 1863.9284 752.3910 321.1285 1913.2182 890.5196 1623.0223 782.2762 1133.9918 155.1949 1061.5576 509.4561 221.3031 976.5325 166.6490 418.7792 174.1958 442.2190 301.5350 293.5053 257.5819 438.3561 331.1696 216.4687 130.0615 -0.04 -0.01 -0.00 -0.06 0.00 0.02 -0.06 0.01 -0.04 -0.04 -0.01 0.03 -0.00 -0.03 -0.02 0.05 -0.02 -0.05 0.00 0.04 0.15 -0.02 -0.00 -0.08 -0.01 0.01 -0.07 0.16 -0.03 -0.03 0.15 -0.04 -0.07 -0.02 -0.04 -0.06 0.15 -0.03 0.03 -0.01 -0.01 -0.06 -0.02 -0.01 -0.02 -0.04 0.07 0.21 -0.07 0.08 0.10 -0.05 0.18 0.28 -0.06 0.16 0.27 -0.23 0.28 0.32 -0.01 0.02 0.06 -0.01 0.01 0.01 -0.03 0.04 0.05 0.03 0.00 -0.07 -0.00 -0.04 -0.08 0.02 0.01 -0.05 0.12 -0.03 0.12 0.12 -0.04 0.11 0.07 -0.01 0.11 -0.03 -0.09 -0.03 -0.04 -0.08 -0.05 -0.03 -0.09 -0.00 0.07 -0.03 -0.13 0.05 -0.04 -0.14 0.05 -0.01 -0.11 0.00 0.03 -0.16 -0.01 0.01 -0.12 -0.00 0.02 -0.14 -0.08 -0.05 -0.08 -0.07 -0.05 -0.10 -0.10 -0.04 0.03 -0.00 0.02 -0.07 -0.00 0.02 -0.08 -0.01 0.02 -0.06 0.07 -0.05 0.04 0.05 -0.05 0.02 0.02 -0.02 -0.04 0.04 -0.02 0.05 -0.01 -0.01 -0.01 -0.02 0.03 -0.03 0.00 -0.05 0.01 0.04 -0.00 0.00 -0.04 -0.03 -0.01 0.04 -0.06 0.06 -0.00 -0.09 -0.09 -0.10 0.07 -0.06 -0.11 0.03 -0.07 -0.01 -0.06 0.05 -0.03 -0.07 0.04 -0.06 0.03 -0.08 -0.01 -0.03 0.02 0.07 -0.05 0.07 0.06 -0.03 0.05 0.01 -0.05 -0.17 -0.01 -0.06 -0.19 0.21 0.34 0.08 0.11 0.21 -0.05 0.14 0.55 -0.01 -0.05 0.10 -0.03 -0.07 0.09 -0.04 -0.04 0.10 -0.02 -0.09 -0.08 0.09 -0.03 -0.05 0.09 -0.05 -0.07 0.08 -0.00 -0.00 -0.02 -0.01 0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.03 -0.08 0.03 -0.05 -0.01 0.03 -0.02 -0.05 -0.06 -0.06 0.02 -0.05 -0.07 0.03 -0.05 -0.07 0.01 -0.02 -0.11 0.02 0.03 -0.08 0.04 -0.05 -0.07 0.03 0.13 -0.02 0.11 0.03 -0.01 0.08 0.17 0.10 0.08 -0.06 -0.00 -0.05 -0.07 -0.03 0.02 -0.03 0.01 -0.05 -0.02 -0.00 0.01 -0.02 -0.00 0.00 -0.09 -0.04 -0.01 -0.03 0.02 0.01 0.01 -0.01 -0.12 0.01 -0.02 -0.12 0.01 -0.01 -0.12 0.00 -0.01 -0.12 0.01 -0.01 -0.12 -0.05 -0.10 0.21 -0.00 0.04 0.01 0.05 0.11 0.18 0.05 0.06 0.17 -0.05 -0.16 0.23 -0.07 -0.16 0.16 0.05 0.12 0.17 -0.04 -0.10 0.13 -0.07 -0.06 0.21 -0.07 -0.06 0.21 -0.04 0.07 0.06 -0.08 0.06 0.05 0.00 0.05 0.03 -0.02 0.06 0.04 -0.10 0.08 0.06 0.03 0.06 0.02 0.04 0.08 0.08 0.03 0.03 -0.01 0.02 -0.02 -0.14 0.01 -0.05 -0.14 0.01 -0.02 -0.13 0.01 0.04 -0.07 0.02 0.02 -0.09 0.02 0.06 -0.07 0.07 0.14 0.16 0.05 0.07 0.07 0.09 0.15 0.09 -0.04 -0.10 -0.01 -0.03 -0.06 0.02 -0.04 -0.06 -0.04 -0.05 0.01 0.02 -0.07 -0.02 0.09 -0.05 0.03 -0.01 -0.03 -0.09 -0.15 -0.03 -0.09 -0.13 -0.03 -0.08 -0.09 -0.04 -0.07 0.07 -0.02 -0.06 -0.03 -0.04 -0.08 0.01 0.10 0.10 -0.05 0.08 0.05 -0.08 0.01 -0.01 -0.12 0.08 0.09 -0.00 -0.00 -0.01 -0.03 -0.01 0.01 -0.04 -0.00 0.01 -0.03 0.00 -0.01 0.00 -0.00 -0.04 -0.04 -0.06 0.03 -0.09 0.03 -0.03 0.04 0.00 0.11 -0.08 -0.01 0.09 -0.08 -0.15 0.07 -0.14 -0.15 0.06 -0.05 0.04 0.03 -0.07 -0.15 0.06 -0.15 -0.00 0.01 -0.09 0.01 0.02 -0.12 0.02 -0.03 0.08 0.00 -0.04 0.10 0.01 -0.07 0.05 0.03 -0.06 0.06 -0.01 -0.07 0.06 0.09 0.19 0.23 0.06 0.16 0.11 0.02 0.20 0.19 0.01 -0.01 -0.05 0.01 -0.02 -0.05 0.02 -0.01 -0.04 -0.14 -0.04 -0.10 -0.00 -0.03 0.00 -0.12 -0.10 -0.08 0.08 -0.12 -0.04 0.08 -0.12 -0.04 0.11 -0.10 0.05 -0.11 -0.01 0.11 -0.10 -0.00 0.12 -0.09 -0.03 0.08 -0.05 -0.07 0.14 -0.02 -0.04 0.06 -0.04 -0.06 0.12 0.03 -0.04 -0.05 -0.01 -0.04 -0.01 0.03 -0.02 -0.03 0.00 0.03 -0.11 0.00 0.02 -0.10 0.01 0.04 -0.11 0.23 0.01 0.18 0.20 0.01 0.15 -0.01 -0.04 -0.06 0.20 0.04 0.20 0.01 -0.14 0.07 0.03 -0.18 0.08 -0.00 -0.09 0.05 -0.05 -0.15 0.07 0.06 -0.13 0.06 -0.09 0.00 -0.01 0.04 0.10 0.01 -0.15 0.26 -0.06 -0.08 0.12 -0.04 0.03 0.02 0.02 0.04 0.02 0.01 -0.13 0.17 -0.05 0.03 0.01 0.06 -0.16 -0.01 -0.03 -0.15 -0.08 0.03 0.03 0.12 0.01 0.01 0.11 0.03 0.03 -0.06 -0.10 0.03 0.01 -0.05 0.08 -0.14 -0.08 -0.08 0.29 -0.15 -0.11 0.28 -0.11 -0.02 0.26 -0.12 0.13 -0.02 -0.01 0.10 -0.03 -0.01 0.07 -0.05 -0.02 0.02 0.01 0.09 0.04 -0.01 0.06 -0.00 0.04 0.08 -0.02 0.03 -0.04 -0.02 0.02 -0.04 -0.01 0.03 0.00 0.05 0.02 0.01 0.02 0.05 -0.01 0.04 -0.02 0.03 -0.05 0.08 -0.02 -0.10 0.05 -0.03 -0.01 0.02 -0.01 0.03 0.00 -0.01 0.06 -0.00 -0.01 0.03 -0.02 -0.03 0.12 -0.10 -0.02 0.11 -0.10 0.00 0.13 -0.10 -0.06 -0.02 0.04 -0.02 0.00 -0.03 -0.01 0.10 -0.12 0.07 -0.05 0.13 -0.04 0.07 -0.02 0.01 0.04 -0.05 0.07 0.03 -0.06 -0.03 0.07 -0.02 -0.03 0.11 0.03 0.02 0.02 0.08 0.03 0.01 0.02 -0.12 -0.14 -0.15 0.01 -0.12 -0.15 0.02 0.02 0.17 0.07 0.03 0.17 0.12 -0.14 -0.15 0.01 0.02 0.13 0.05 0.02 0.03 0.03 0.01 0.02 0.05 -0.00 0.04 -0.11 -0.03 0.03 -0.09 -0.13 0.15 -0.03 -0.10 0.12 -0.06 -0.20 0.21 -0.02 0.07 0.00 0.00 -0.02 -0.05 0.00 0.13 -0.04 0.01 0.05 -0.07 -0.11 0.04 -0.03 -0.11 0.02 -0.09 -0.15 0.08 0.01 -0.02 0.08 0.01 -0.01 0.10 0.00 -0.01 -0.07 -0.09 -0.07 -0.09 -0.08 -0.12 -0.07 -0.09 -0.06 -0.02 0.11 0.18 0.00 0.08 0.18 -0.01 0.15 0.15 -0.06 -0.05 0.08 -0.03 -0.02 0.05 -0.10 -0.05 0.11 -0.12 0.03 -0.16 -0.14 0.02 -0.07 -0.12 0.04 -0.12 -0.04 -0.07 0.10 -0.03 -0.09 0.06 -0.03 -0.06 0.12 0.06 -0.01 -0.01 0.08 -0.00 0.01 0.17 0.04 0.05 0.07 -0.00 -0.04 -0.06 -0.03 0.03 -0.08 -0.03 0.06 -0.09 0.00 -0.01 -0.08 -0.04 0.07 -0.00 -0.05 0.01 0.03 -0.01 -0.03 0.09 -0.10 -0.02 0.19 0.04 -0.05 0.15 0.06 -0.07 0.07 0.12 0.01 0.03 0.09 0.06 0.17 0.10 -0.06 0.06 0.14 0.05 0.01 -0.09 -0.04 -0.02 -0.10 0.01 0.07 -0.10 0.02 0.06 -0.11 0.03 0.05 -0.00 0.09 0.06 -0.04 0.05 -0.02 0.06 0.08 -0.08 -0.14 -0.00 0.02 -0.08 -0.01 -0.15 -0.09 -0.02 0.03 -0.01 -0.10 0.05 -0.02 -0.10 0.03 -0.00 -0.09 0.05 0.15 0.09 0.02 0.12 0.03 0.02 0.19 0.07 0.07 0.17 -0.05 0.07 0.15 -0.06 0.07 0.17 -0.07 -0.09 0.00 0.15 -0.09 -0.03 0.14 -0.09 0.02 0.15 -0.07 -0.17 0.13 -0.02 -0.13 0.06 -0.08 -0.15 0.12 0.05 0.00 -0.14 0.04 -0.00 -0.08 0.04 -0.00 -0.07 0.04 0.03 -0.15 0.04 0.04 -0.15 0.02 0.03 -0.11 -0.09 0.13 -0.11 -0.09 0.06 -0.12 0.05 -0.04 -0.00 -0.09 0.07 -0.06 0.02 0.03 0.07 0.00 0.07 0.05 0.01 0.05 0.06 0.03 0.02 0.13 0.02 -0.03 0.05 0.04 -0.01 -0.08 0.08 -0.03 -0.09 0.01 0.14 0.13 0.04 0.11 0.15 -0.10 -0.03 -0.17 -0.06 -0.02 -0.10 -0.00 0.10 0.15 -0.10 -0.08 -0.13 0.14 0.02 -0.07 0.15 0.07 -0.15 0.08 -0.05 -0.08 0.10 -0.04 -0.09 -0.05 0.11 0.04 -0.02 0.06 -0.00 -0.19 0.22 0.05 -0.08 0.03 -0.17 -0.05 0.07 -0.06 -0.01 0.04 -0.11 0.07 0.03 -0.14 0.06 -0.02 -0.14 0.05 0.03 -0.10 -0.14 -0.15 0.02 -0.10 -0.15 0.02 -0.13 -0.14 0.02 0.05 0.02 0.20 0.01 0.01 0.07 0.01 0.00 0.14 0.02 -0.04 -0.00 0.03 -0.04 0.00 0.02 -0.02 0.00 0.08 -0.05 0.02 0.12 -0.02 -0.00 0.05 -0.02 0.02 -0.07 -0.08 -0.18 -0.07 -0.08 -0.14 -0.07 -0.06 -0.12 -0.01 0.04 0.09 0.02 0.03 -0.02 -0.00 0.03 0.06 -0.08 -0.15 -0.03 -0.07 -0.13 -0.02 0.10 -0.01 -0.00 -0.09 -0.09 -0.05 0.04 -0.02 0.09 -0.08 0.03 0.22 -0.05 -0.12 -0.02 0.14 0.01 0.07 0.13 0.01 0.08 0.02 -0.01 0.09 0.01 0.01 0.09 -0.06 -0.04 -0.02 -0.10 -0.04 -0.05 -0.19 -0.07 0.04 -0.13 -0.04 0.03 -0.02 -0.01 -0.07 -0.16 -0.09 -0.07 0.09 0.03 0.10 0.09 0.07 0.04 -0.05 0.05 0.15 -0.10 0.04 0.08 0.10 -0.07 0.06 0.06 -0.01 0.10 0.06 -0.09 0.09 -0.07 -0.04 0.07 -0.07 -0.05 0.03 -0.09 -0.03 0.05 -0.01 -0.09 -0.07 0.03 -0.07 -0.07 0.00 -0.08 -0.07 -0.18 0.04 -0.19 -0.16 0.04 -0.17 -0.10 0.02 -0.17 0.06 0.06 -0.17 0.07 0.07 -0.17 0.06 0.06 -0.13 0.15 0.05 -0.02 0.14 0.07 -0.02 0.16 0.02 -0.02 0.02 0.03 -0.17 0.02 0.01 -0.07 -0.03 0.02 -0.11 0.10 0.02 -0.10 0.16 0.02 -0.09 0.06 -0.05 -0.04 -0.09 0.03 -0.01 -0.08 -0.00 -0.01 -0.08 0.05 0.05 -0.05 0.09 -0.07 -0.01 0.06 -0.04 0.11 0.01 0.10 -0.01 0.03 -0.08 0.00 0.04 -0.03 -0.01 0.06 -0.04 -0.00 0.02 -0.04 0.02 0.04 -0.03 -0.01 0.02 -0.04 -0.01 0.11 -0.08 -0.04 0.09 0.13 -0.11 -0.04 0.11 -0.14 -0.06 0.08 0.11 0.06 -0.13 0.09 0.05 -0.05 -0.06 -0.03 0.07 0.10 0.04 -0.05 -0.02 0.16 -0.08 -0.02 0.18 -0.10 -0.09 0.13 0.19 -0.16 0.11 0.19 0.20 -0.09 -0.00 0.11 -0.00 0.07 0.19 -0.14 0.03 -0.05 -0.02 -0.15 -0.08 -0.02 -0.04 0.04 -0.05 -0.11 -0.06 -0.05 -0.03 -0.02 -0.06 -0.03 -0.04 -0.04 -0.01 0.11 -0.04 0.03 0.08 -0.04 0.01 0.09 -0.04 0.02 0.10 -0.02 -0.03 0.10 -0.04 -0.04 0.11 -0.02 -0.05 -0.03 -0.08 0.10 -0.07 -0.03 0.09 -0.05 -0.06 0.12 -0.14 0.02 0.14 -0.10 0.06 0.05 -0.14 0.03 0.12 0.16 -0.09 -0.02 0.13 -0.09 -0.00 0.16 -0.09 -0.02 -0.14 -0.02 0.10 -0.12 -0.04 0.06 -0.12 -0.02 0.09 -0.02 -0.09 -0.07 -0.04 -0.06 -0.08 -0.03 0.02 -0.05 -0.04 -0.06 -0.06 0.03 -0.08 0.04 0.02 0.04 -0.03 0.07 -0.14 0.09 0.16 -0.06 0.09 -0.07 -0.16 0.03 0.07 0.10 0.00 -0.09 0.16 -0.01 0.10 0.01 -0.04 0.10 0.04 -0.03 0.07 -0.05 -0.09 0.01 -0.07 -0.10 0.05 0.02 -0.02 0.06 0.02 -0.09 0.09 0.21 0.01 0.10 0.24 -0.06 -0.09 0.18 -0.04 -0.10 0.17 -0.03 -0.05 0.09 -0.12 -0.09 0.13 -0.09 -0.06 0.06 -0.10 -0.08 -0.10 0.15 0.00 -0.07 0.08 -0.18 -0.05 0.12 0.04 -0.02 -0.01 -0.01 -0.08 -0.02 -0.01 -0.03 0.03 0.06 0.08 -0.11 0.02 0.10 -0.08 0.09 0.02 -0.09 -0.11 0.03 0.08 -0.09 -0.01 0.09 -0.07 0.05 0.07 -0.07 -0.11 -0.03 -0.10 -0.07 -0.04 -0.08 -0.14 -0.01 -0.05 0.09 0.08 -0.01 0.12 0.05 -0.05 0.11 0.05 -0.08 -0.13 0.01 -0.09 -0.13 -0.01 -0.06 -0.09 -0.03 0.03 0.00 -0.11 0.04 -0.01 -0.11 0.04 0.00 -0.09 -0.06 0.11 0.02 -0.06 0.01 0.01 -0.09 -0.16 -0.00 -0.07 0.06 0.07 0.01 -0.04 -0.02 -0.06 0.06 -0.01 -0.01 -0.14 -0.05 0.14 -0.01 -0.01 -0.01 -0.05 -0.03 0.04 0.10 0.07 -0.07 -0.07 0.02 0.14 0.16 0.00 0.11 0.14 -0.03 -0.00 0.14 0.12 0.03 0.16 0.08 0.18 0.11 -0.01 0.01 0.09 0.09 0.04 0.06 0.07 0.04 0.05 0.09 -0.10 -0.03 0.02 -0.14 -0.04 -0.01 -0.09 -0.05 0.00 -0.07 -0.04 0.01 0.02 -0.12 -0.01 -0.04 -0.00 -0.09 0.04 0.05 -0.06 -0.05 0.05 -0.06 -0.07 -0.13 0.03 -0.05 -0.04 0.04 -0.02 -0.12 -0.02 0.10 -0.15 0.01 0.10 -0.15 0.02 0.15 -0.17 0.02 0.13 -0.03 0.12 0.11 0.06 0.10 0.05 -0.06 0.11 -0.08 0.18 -0.01 -0.07 0.13 -0.02 -0.07 0.12 0.00 -0.07 -0.02 -0.09 -0.03 -0.01 -0.06 -0.10 -0.01 -0.05 -0.02 0.19 0.06 -0.01 0.19 0.03 -0.02 0.17 0.07 -0.05 0.02 -0.16 -0.05 -0.01 -0.11 -0.02 0.03 -0.13 0.02 -0.18 0.01 -0.01 -0.16 -0.02 0.00 -0.05 -0.03 -0.02 -0.12 0.01 0.00 0.00 0.05 -0.03 0.02 0.07 -0.04 0.02 -0.01 0.01 -0.01 0.10 0.05 -0.04 0.02 -0.02 0.02 -0.02 -0.11 -0.05 -0.00 0.13 -0.09 0.00 0.12 -0.08 -0.00 -0.02 -0.03 -0.05 -0.04 -0.04 -0.04 0.10 -0.04 0.00 -0.03 -0.00 -0.02 -0.01 0.05 -0.02 -0.02 0.07 -0.03 -0.13 -0.02 -0.02 -0.15 -0.02 -0.04 -0.01 0.02 0.00 -0.06 0.02 -0.01 -0.03 0.05 -0.01 0.36 0.10 -0.23 0.25 0.05 -0.13 0.52 0.03 -0.17 -0.09 -0.09 0.03 -0.08 -0.08 0.03 -0.04 -0.06 0.04 -0.09 0.09 0.07 -0.06 0.07 0.05 -0.12 0.12 0.06 -0.04 0.03 0.06 -0.03 0.01 0.08 -0.02 0.04 0.03 0.03 -0.04 0.01 0.02 -0.03 0.01 0.03 -0.07 0.01 -0.09 -0.02 -0.06 -0.06 -0.01 -0.04 -0.14 -0.01 -0.01 -0.03 -0.07 0.05 -0.01 -0.07 0.03 -0.02 -0.07 0.03 -0.02 -0.03 -0.08 -0.02 -0.03 -0.05 -0.02 -0.02 -0.03 0.04 0.09 0.01 0.10 0.10 0.07 -0.04 -0.05 0.00 0.09 0.08 -0.07 0.06 -0.05 0.04 0.18 -0.05 -0.15 0.19 0.02 0.19 0.01 -0.07 0.06 -0.09 -0.09 0.04 -0.08 0.07 -0.01 -0.15 -0.13 -0.02 -0.02 -0.04 0.05 -0.08 -0.06 -0.00 -0.02 0.04 0.02 -0.02 0.05 -0.03 0.04 0.00 -0.01 -0.03 0.05 0.06 -0.12 0.07 -0.01 -0.07 -0.02 0.02 -0.11 -0.20 -0.02 -0.02 -0.18 0.03 0.01 0.00 0.12 -0.01 -0.09 0.04 -0.07 0.14 0.08 0.02 -0.01 0.01 0.01 -0.02 0.04 0.04 -0.03 0.02 -0.15 -0.09 -0.10 -0.08 -0.10 -0.09 -0.09 -0.04 -0.05 -0.04 0.04 0.10 -0.04 0.03 0.09 -0.05 0.06 0.10 0.13 0.06 -0.11 0.11 0.10 -0.16 0.10 0.04 -0.04 -0.03 0.07 -0.12 -0.06 0.11 -0.13 -0.04 0.03 -0.08 0.11 0.19 0.04 0.03 0.15 0.00 0.19 0.13 0.00 0.04 0.08 -0.18 0.07 0.08 -0.19 0.00 0.04 -0.07 -0.13 -0.06 -0.03 -0.12 -0.09 -0.04 -0.10 -0.03 0.01 -0.06 0.06 0.06 -0.06 0.02 0.05 -0.06 -0.08 0.04 -0.05 0.04 0.07 -0.05 -0.03 -0.02 -0.06 0.09 -0.12 -0.03 -0.02 0.01 0.03 -0.03 0.12 -0.13 -0.16 -0.06 0.15 -0.04 0.03 0.14 0.12 0.04 -0.09 -0.11 0.06 -0.09 -0.13 0.06 -0.02 0.05 0.02 -0.09 0.02 -0.03 -0.08 -0.08 0.04 -0.04 0.12 0.05 0.22 -0.10 0.04 0.19 -0.04 0.02 0.09 0.17 0.10 0.02 0.16 0.04 0.00 -0.04 -0.07 0.06 0.05 0.01 0.12 -0.20 -0.04 0.07 0.03 -0.04 0.00 -0.00 0.00 0.14 -0.02 -0.02 0.08 0.04 -0.03 0.07 0.06 -0.03 0.03 0.01 -0.05 -0.07 0.07 0.13 -0.01 0.04 0.10 -0.07 0.11 0.12 0.02 -0.01 -0.08 0.02 0.02 -0.08 0.02 -0.01 -0.03 -0.22 0.07 -0.11 -0.18 0.01 -0.10 -0.19 -0.02 -0.12 0.07 -0.12 -0.08 0.13 -0.09 -0.03 0.03 -0.05 -0.10 0.03 0.11 -0.01 -0.02 0.12 -0.02 0.04 0.14 -0.01 0.01 -0.08 0.11 0.01 -0.06 0.05 -0.01 -0.10 0.03 0.01 0.06 0.03 -0.01 -0.00 0.01 -0.08 -0.15 -0.12 -0.01 0.06 0.06 0.10 0.02 -0.05 0.11 0.05 -0.07 0.08 0.13 -0.10 0.06 -0.00 0.09 0.18 -0.07 -0.10 -0.06 0.01 -0.04 0.01 -0.05 -0.01 -0.03 0.02 0.00 -0.04 0.02 0.00 -0.06 0.03 -0.05 -0.06 0.03 -0.03 -0.04 0.03 0.01 -0.08 0.01 0.06 -0.05 -0.01 -0.04 -0.03 -0.05 -0.03 -0.03 0.02 -0.02 -0.10 0.00 -0.05 -0.00 0.01 -0.02 -0.02 0.02 -0.01 0.04 -0.01 -0.03 -0.16 -0.10 0.13 -0.10 -0.07 0.07 -0.28 -0.08 0.04 0.00 -0.14 0.03 0.00 -0.10 0.03 0.08 -0.12 0.00 -0.16 -0.01 0.28 -0.00 -0.12 0.13 -0.20 0.18 0.23 -0.11 0.07 0.04 -0.09 0.00 0.09 -0.07 0.09 -0.06 0.04 0.03 0.04 0.07 0.03 0.06 0.09 -0.03 -0.01 -0.04 -0.03 -0.07 -0.02 -0.02 -0.05 -0.11 -0.04 0.01 -0.01 -0.02 0.13 -0.01 -0.03 0.11 -0.00 -0.01 0.08 -0.04 -0.01 -0.03 -0.03 -0.08 -0.02 0.01 0.01 -0.02 0.17 0.03 -0.20 0.13 -0.01 -0.25 0.06 -0.08 -0.13 0.12 0.02 -0.11 -0.04 -0.03 -0.03 -0.15 0.09 0.03 -0.11 -0.07 -0.13 0.08 -0.01 0.08 0.01 -0.11 -0.08 -0.05 0.17 0.05 0.09 -0.17 -0.06 -0.07 -0.06 0.03 -0.04 -0.07 0.05 0.01 -0.05 0.02 -0.01 -0.05 -0.08 -0.08 -0.05 0.03 0.01 -0.01 0.02 -0.09 0.30 0.05 -0.05 0.27 0.02 0.18 -0.27 -0.12 0.29 -0.25 -0.04 -0.00 -0.06 0.14 0.07 -0.18 0.05 -0.02 0.04 0.09 0.00 0.01 -0.01 -0.03 -0.00 -0.00 0.02 -0.01 -0.01 0.12 0.08 0.01 0.08 0.08 0.01 0.07 0.05 -0.02 0.01 0.01 0.01 0.05 -0.02 -0.02 0.03 0.04 0.01 -0.02 0.00 -0.03 -0.02 -0.01 -0.02 -0.01 0.01 -0.05 -0.05 -0.01 -0.10 -0.07 0.03 -0.11 -0.04 -0.07 -0.09 -0.07 0.14 0.09 -0.08 0.15 0.00 0.01 0.13 0.01 0.01 0.04 0.04 0.01 0.04 0.02 0.01 0.03 0.07 0.07 -0.05 0.09 0.07 -0.01 0.04 0.04 -0.08 0.02 0.09 0.03 -0.07 0.07 -0.02 -0.09 -0.03 -0.11 -0.12 0.06 0.04 -0.03 -0.05 -0.01 0.01 0.06 -0.18 -0.01 -0.04 0.22 -0.01 -0.25 -0.06 0.06 0.05 -0.03 -0.02 0.17 0.08 0.13 -0.10 -0.07 -0.01 -0.01 0.04 -0.01 0.01 -0.04 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.03 -0.01 0.00 -0.00 -0.07 0.31 0.22 0.16 0.24 0.48 -0.04 -0.11 -0.04 -0.00 -0.13 -0.04 -0.05 -0.02 -0.01 0.02 -0.05 -0.02 0.01 -0.02 0.01 0.00 -0.05 -0.01 0.02 -0.03 0.00 0.00 -0.10 -0.01 -0.02 -0.09 0.01 0.01 -0.05 0.03 0.02 -0.03 0.03 0.01 0.04 -0.02 -0.10 0.04 0.01 -0.05 0.05 -0.09 -0.09 0.03 0.01 -0.04 0.03 0.02 -0.03 0.03 0.01 -0.03 0.01 0.03 0.00 0.02 0.01 0.01 0.02 -0.00 -0.01 -0.04 -0.04 -0.05 0.11 0.02 0.02 -0.18 0.05 0.03 0.00 0.05 0.01 0.02 0.05 0.03 -0.01 0.03 0.02 0.10 -0.17 -0.01 0.08 -0.14 0.04 0.09 -0.18 -0.01 0.06 -0.01 -0.04 0.05 -0.01 -0.05 -0.02 -0.04 -0.03 0.04 0.00 -0.02 0.01 0.05 -0.03 0.03 0.01 -0.02 0.05 -0.11 0.03 0.06 0.07 -0.18 -0.07 0.16 0.04 0.01 -0.00 0.01 0.01 -0.06 -0.00 0.03 0.06 -0.04 0.05 0.01 -0.03 0.01 -0.12 -0.07 0.02 -0.12 -0.05 0.04 0.08 -0.04 -0.00 -0.14 0.04 0.06 0.13 0.02 0.04 0.23 -0.08 -0.01 0.00 -0.02 -0.07 -0.01 -0.07 -0.09 -0.01 0.01 -0.04 -0.00 0.02 -0.09 -0.04 0.03 0.03 0.03 0.08 0.04 0.03 0.02 -0.01 0.06 0.07 0.05 -0.08 0.07 0.04 -0.03 0.07 0.04 -0.10 0.02 -0.10 -0.05 0.24 -0.11 -0.08 0.16 -0.16 0.05 0.20 0.07 0.10 -0.15 0.06 0.13 -0.15 0.05 0.09 -0.08 0.00 -0.07 -0.01 -0.02 -0.07 -0.03 -0.04 0.02 0.02 -0.19 -0.12 -0.05 -0.08 -0.06 -0.06 -0.28 -0.09 0.02 -0.01 0.05 -0.09 0.02 0.05 -0.08 -0.03 0.01 -0.03 0.17 -0.05 0.09 0.16 -0.05 0.14 0.17 -0.06 0.05 -0.11 -0.01 0.07 -0.11 0.05 0.08 0.06 0.17 0.08 -0.08 -0.04 0.04 -0.02 -0.05 -0.05 -0.08 -0.10 0.08 -0.07 -0.14 -0.09 0.01 -0.05 -0.12 0.04 0.02 -0.02 0.03 -0.07 0.01 -0.16 0.14 0.03 0.01 -0.01 0.02 -0.02 -0.03 -0.01 -0.00 -0.05 -0.10 0.00 -0.06 -0.05 0.02 0.06 -0.01 -0.01 -0.08 -0.01 0.14 -0.04 0.02 0.16 0.01 -0.08 -0.09 0.03 0.02 0.02 0.06 0.12 -0.01 0.05 -0.04 -0.06 0.04 -0.06 -0.02 0.08 -0.06 0.04 0.03 0.01 0.01 0.01 0.01 0.05 -0.00 0.00 -0.09 0.13 -0.01 -0.09 0.12 -0.01 -0.14 0.11 -0.02 -0.04 -0.11 0.18 0.01 -0.15 0.12 -0.09 -0.02 0.15 -0.04 0.16 -0.05 -0.03 0.14 -0.02 -0.05 0.16 -0.09 0.02 -0.01 0.01 0.05 0.02 0.05 0.04 -0.01 -0.03 0.22 0.13 0.24 0.14 0.10 0.19 0.37 0.13 0.07 -0.01 0.07 0.03 0.02 0.07 0.03 -0.02 0.04 -0.01 -0.08 -0.03 -0.07 -0.09 0.01 -0.05 -0.12 -0.04 -0.03 0.07 -0.03 -0.05 0.05 0.02 -0.08 -0.08 -0.00 0.03 0.06 -0.02 -0.05 -0.02 0.01 -0.04 -0.02 -0.01 -0.01 -0.01 -0.09 -0.02 0.03 0.02 -0.11 -0.04 0.06 -0.01 0.03 0.10 0.04 -0.22 -0.06 0.03 0.00 0.01 -0.07 0.09 0.01 -0.00 -0.07 0.22 0.06 -0.07 0.22 0.09 -0.07 -0.05 0.01 -0.07 0.20 0.08 0.08 0.03 0.05 0.07 0.04 0.04 -0.17 -0.13 0.02 -0.07 -0.10 0.02 0.26 -0.04 0.00 0.07 -0.07 -0.04 0.15 0.11 -0.03 -0.03 -0.01 0.01 -0.01 0.00 -0.03 -0.06 0.02 0.01 0.03 0.11 -0.08 -0.03 0.02 -0.08 -0.06 0.09 -0.04 -0.07 0.09 0.12 -0.04 0.06 0.08 -0.07 0.14 0.11 -0.14 -0.11 0.16 -0.15 -0.15 0.13 -0.11 -0.10 0.11 -0.02 0.05 0.02 -0.01 0.03 0.03 -0.02 0.05 0.03 0.08 0.06 -0.13 0.06 0.03 -0.04 0.07 0.06 -0.11 0.02 -0.18 -0.06 -0.02 -0.19 -0.04 0.03 -0.14 -0.05 0.15 -0.07 0.03 0.15 -0.01 -0.01 0.11 -0.10 -0.01 -0.05 -0.01 0.04 -0.04 0.02 0.06 -0.04 0.05 0.01 -0.04 -0.01 0.02 -0.01 -0.01 0.01 0.02 -0.01 -0.04 0.01 0.02 0.05 -0.05 -0.01 0.01 -0.05 -0.01 0.01 -0.01 0.04 0.02 0.17 -0.04 -0.01 -0.01 -0.07 -0.03 -0.01 -0.01 -0.02 -0.04 0.04 0.03 0.02 0.07 0.04 -0.08 0.04 -0.02 -0.02 -0.03 -0.00 0.00 0.05 0.02 -0.01 0.08 -0.00 0.13 0.01 0.01 0.07 -0.01 -0.02 0.17 -0.05 0.02 0.14 -0.03 0.03 0.16 -0.05 0.02 0.12 0.06 0.09 0.04 0.01 0.02 0.12 0.04 0.07 0.03 -0.08 -0.07 0.05 -0.07 -0.07 0.06 -0.06 -0.05 0.08 -0.21 -0.03 0.02 -0.16 0.05 0.10 -0.31 -0.01 -0.28 0.28 0.03 -0.27 0.25 0.06 -0.30 0.28 -0.07 -0.01 0.04 -0.01 -0.03 0.03 -0.03 -0.03 0.05 0.02 -0.05 -0.03 -0.05 -0.01 -0.02 -0.05 -0.09 -0.03 -0.01 0.01 0.00 -0.03 0.03 0.00 -0.06 -0.00 -0.01 -0.01 -0.07 0.06 -0.05 -0.06 0.03 -0.07 -0.05 0.07 -0.02 -0.03 -0.10 0.05 -0.05 -0.03 0.03 0.07 0.01 0.00 -0.03 -0.07 0.01 -0.02 -0.02 -0.03 0.02 -0.14 -0.01 -0.00 -0.05 -0.01 -0.10 -0.04 -0.14 -0.01 0.06 0.01 0.03 0.07 0.06 0.34 0.01 -0.03 0.00 -0.01 0.01 -0.05 0.05 -0.02 -0.01 0.02 -0.00 -0.03 0.01 -0.01 0.03 -0.06 0.00 -0.02 0.04 0.03 0.09 0.16 0.07 0.08 0.25 -0.03 0.29 0.08 -0.02 0.20 0.05 -0.04 -0.01 -0.02 0.03 0.11 0.00 0.07 0.03 -0.12 0.07 -0.01 -0.01 -0.04 -0.02 -0.01 0.02 0.03 -0.04 -0.03 0.01 -0.14 -0.02 0.06 -0.11 -0.02 0.08 -0.11 -0.01 -0.08 0.12 0.11 -0.05 0.08 0.04 -0.12 0.21 0.08 0.03 -0.15 0.12 0.02 -0.13 0.10 0.03 -0.15 0.13 0.02 0.02 -0.02 0.03 0.02 -0.02 0.02 0.04 -0.03 0.02 0.04 -0.02 0.05 0.05 -0.01 -0.00 0.03 0.02 -0.00 -0.04 0.04 -0.04 -0.04 0.00 0.02 0.01 0.03 -0.21 0.12 -0.11 -0.21 0.06 -0.09 -0.17 0.16 -0.03 -0.05 0.06 0.02 -0.02 0.02 0.05 0.12 0.07 0.04 -0.03 0.04 0.01 0.05 -0.08 0.00 0.09 -0.12 -0.04 0.06 -0.05 -0.00 0.01 -0.10 -0.01 0.04 -0.07 0.00 0.02 -0.03 0.01 -0.27 0.01 0.04 -0.02 -0.04 0.03 -0.07 0.09 0.02 0.02 -0.07 -0.01 0.01 -0.07 -0.03 -0.02 -0.04 0.03 0.01 -0.06 0.00 0.03 0.03 0.02 0.01 0.10 -0.03 -0.17 -0.11 0.01 -0.03 -0.06 -0.00 0.04 -0.00 0.01 -0.06 -0.04 -0.04 0.03 0.08 -0.04 0.03 0.02 -0.00 -0.03 -0.00 0.03 0.05 -0.04 -0.03 0.19 0.31 -0.04 0.02 0.23 -0.06 -0.07 0.19 -0.08 -0.01 -0.02 0.02 -0.01 -0.03 -0.01 -0.02 0.01 0.02 0.02 -0.03 0.01 0.02 0.00 0.01 0.01 -0.04 0.02 -0.01 0.02 0.03 -0.02 -0.02 -0.00 -0.01 -0.03 0.04 -0.16 -0.14 -0.07 -0.08 -0.09 -0.08 -0.21 -0.11 -0.03 -0.00 0.09 0.06 0.04 0.09 0.09 -0.02 0.04 0.04 -0.15 0.31 0.03 -0.12 0.25 -0.08 -0.11 0.32 0.02 -0.02 0.03 -0.03 0.01 -0.00 0.00 -0.04 -0.08 0.05 -0.00 0.03 -0.06 -0.04 -0.01 0.02 -0.02 -0.02 -0.01 -0.00 -0.07 0.10 -0.05 -0.02 -0.03 -0.10 0.01 0.04 -0.00 0.03 0.04 -0.04 -0.01 0.03 0.04 -0.02 0.01 0.01 0.05 0.00 -0.06 0.10 0.02 -0.06 0.10 0.07 0.01 0.09 -0.00 -0.05 0.10 -0.02 0.02 0.01 0.04 0.01 0.04 0.03 -0.02 -0.00 -0.03 -0.01 0.00 -0.05 -0.08 0.01 -0.00 -0.04 0.01 0.00 -0.12 0.01 0.02 -0.16 -0.11 -0.24 -0.10 -0.05 -0.10 0.01 -0.05 -0.07 0.06 -0.03 0.10 0.03 -0.08 0.10 0.04 -0.02 0.13 -0.01 0.03 -0.01 0.13 0.05 0.08 -0.03 -0.02 -0.01 -0.02 0.17 -0.14 0.02 0.05 -0.09 0.08 0.22 -0.15 0.01 -0.06 0.01 -0.01 -0.04 0.01 -0.02 -0.01 0.04 0.02 0.03 -0.08 0.00 0.01 -0.02 -0.00 0.02 -0.04 0.01 -0.15 -0.02 -0.02 -0.15 -0.03 0.03 -0.11 -0.01 0.00 0.15 0.07 0.01 0.13 0.06 0.01 0.15 0.03 0.38 -0.04 0.13 0.14 0.02 -0.11 -0.00 0.02 0.06 0.20 0.04 0.38 0.02 0.03 0.02 0.02 -0.00 0.05 0.02 0.00 0.02 0.02 0.03 -0.02 0.02 0.05 0.03 0.05 -0.06 -0.03 -0.01 -0.02 0.00 -0.03 -0.04 -0.06 0.02 -0.03 -0.02 0.14 -0.20 -0.00 0.07 -0.23 -0.13 -0.08 -0.05 -0.02 0.12 -0.08 0.00 -0.01 -0.01 -0.03 -0.03 -0.01 -0.01 -0.03 -0.01 0.05 -0.05 -0.02 0.08 0.15 -0.01 -0.02 0.07 -0.01 -0.03 0.22 -0.01 -0.06 -0.12 -0.06 -0.12 -0.10 -0.04 -0.08 -0.04 -0.01 -0.02 0.00 -0.05 -0.08 0.01 0.02 -0.08 0.01 -0.06 -0.12 -0.12 0.17 -0.05 -0.05 0.19 0.01 -0.11 0.13 -0.04 -0.13 -0.01 0.14 -0.16 0.06 0.08 -0.19 -0.03 0.10 -0.02 0.07 -0.08 -0.02 0.06 -0.09 -0.02 0.05 -0.08 -0.07 -0.06 0.13 -0.04 -0.02 0.02 -0.04 -0.05 0.08 -0.04 0.25 -0.07 0.01 0.25 -0.06 -0.08 0.18 -0.02 0.03 -0.05 -0.05 0.03 -0.06 -0.03 0.04 -0.04 -0.00 0.16 -0.10 0.14 0.08 0.01 0.07 0.09 0.06 0.03 0.10 -0.04 0.20 0.03 -0.02 0.01 0.05 -0.00 -0.01 0.05 -0.04 0.01 0.11 -0.01 -0.00 0.01 -0.01 0.02 0.01 0.04 -0.02 0.18 0.10 -0.06 -0.02 0.01 0.04 -0.04 -0.10 0.02 0.01 0.02 0.04 0.02 0.03 0.04 0.00 0.04 0.01 0.01 0.02 0.03 -0.03 0.04 -0.02 -0.02 -0.00 0.01 0.18 0.07 -0.02 0.18 0.07 -0.06 -0.04 -0.03 0.07 0.05 -0.02 0.09 -0.17 -0.03 0.13 -0.04 -0.03 -0.04 -0.03 -0.01 -0.02 -0.02 -0.01 -0.01 -0.24 0.30 -0.05 -0.13 0.29 -0.05 -0.27 0.30 -0.03 -0.04 0.03 0.00 -0.04 0.05 0.04 -0.01 -0.01 0.02 -0.01 0.05 -0.02 -0.00 0.02 0.00 0.00 0.06 -0.01 0.08 -0.02 0.07 0.05 -0.03 0.04 0.07 -0.04 0.10 -0.09 -0.09 -0.10 -0.04 -0.07 -0.09 -0.14 -0.08 -0.04 0.01 -0.04 0.04 0.05 -0.05 0.10 0.01 -0.08 -0.03 -0.03 -0.18 -0.12 -0.07 -0.06 -0.06 -0.11 -0.21 -0.05 0.04 -0.04 0.08 0.01 0.03 0.06 -0.24 -0.05 0.04 0.03 -0.03 0.08 -0.03 0.06 -0.01 -0.02 0.07 -0.03 -0.01 0.04 0.02 -0.03 0.07 -0.02 -0.05 0.05 -0.00 0.02 0.02 -0.01 -0.20 0.05 0.07 -0.07 -0.06 0.17 -0.17 -0.19 0.09 0.01 0.05 0.03 0.03 0.06 0.06 0.03 0.03 0.07 0.01 0.02 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.09 -0.07 0.01 0.07 -0.02 0.02 -0.05 0.04 -0.03 -0.09 0.02 -0.07 -0.01 0.07 -0.07 -0.02 0.01 -0.01 -0.07 -0.01 0.06 0.07 -0.02 0.04 0.39 0.00 -0.03 0.12 -0.07 -0.07 0.03 -0.15 -0.10 -0.04 0.03 -0.02 -0.06 0.06 0.02 -0.03 -0.02 -0.01 0.06 0.07 -0.05 0.08 0.06 0.00 0.06 0.07 -0.01 0.12 -0.02 0.02 0.10 -0.01 0.01 0.09 0.04 0.05 0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.04 0.06 0.01 -0.04 0.14 0.03 -0.03 0.06 0.02 -0.03 0.09 -0.10 -0.22 -0.31 -0.13 -0.30 -0.20 -0.05 -0.15 -0.09 -0.06 -0.05 0.10 -0.08 -0.01 0.09 0.12 0.08 -0.06 -0.07 -0.04 0.11 -0.02 0.03 0.02 -0.01 0.05 -0.00 0.02 -0.02 0.08 0.00 0.04 -0.03 -0.06 0.04 0.04 -0.11 -0.09 0.04 0.01 -0.00 -0.01 -0.02 -0.12 -0.02 -0.02 -0.10 -0.01 -0.22 -0.05 -0.12 -0.08 0.01 -0.00 -0.04 -0.10 -0.02 -0.20 -0.20 -0.16 -0.00 -0.04 0.05 0.00 0.03 -0.06 0.01 0.00 0.00 -0.00 -0.00 0.01 0.06 -0.02 0.01 0.03 -0.02 0.01 0.06 -0.00 -0.00 -0.11 -0.00 -0.10 -0.11 0.02 -0.02 -0.02 0.01 -0.02 -0.00 0.02 -0.03 -0.00 0.04 -0.03 -0.02 0.00 -0.05 0.23 -0.20 0.08 0.22 -0.24 0.02 0.06 -0.11 0.02 0.02 -0.09 0.11 -0.00 -0.06 0.06 0.04 -0.09 0.18 0.09 0.01 -0.01 0.06 0.02 -0.04 0.05 0.07 0.03 -0.06 -0.03 0.02 -0.06 -0.03 0.02 -0.07 -0.03 0.03 -0.04 0.10 -0.02 0.01 0.10 -0.02 -0.06 0.05 -0.00 0.04 -0.07 -0.08 0.02 -0.05 -0.03 0.02 -0.07 -0.03 0.08 0.37 -0.01 0.05 0.02 -0.08 0.03 0.05 0.01 -0.02 0.34 0.19 -0.05 -0.02 -0.00 -0.04 0.01 -0.06 -0.02 -0.03 0.04 -0.04 -0.02 -0.00 -0.07 -0.02 -0.00 0.09 0.26 -0.27 -0.02 0.03 0.07 0.01 -0.02 -0.03 0.02 0.01 -0.02 0.02 0.05 0.34 0.12 0.13 0.10 -0.00 -0.04 -0.02 0.06 -0.00 0.19 0.03 0.16 -0.27 0.05 0.04 -0.16 -0.01 -0.02 0.11 0.05 0.00 0.10 -0.01 0.07 -0.11 -0.04 0.10 -0.10 -0.07 0.08 -0.09 0.00 0.02 0.01 -0.00 0.02 -0.01 -0.02 0.02 -0.01 -0.04 0.00 0.04 -0.03 -0.02 0.04 -0.03 0.01 0.05 -0.14 -0.12 -0.02 -0.04 -0.17 -0.07 -0.02 -0.05 -0.00 0.02 -0.03 0.03 0.01 -0.04 0.01 0.03 -0.02 0.02 0.22 0.02 -0.11 0.13 -0.01 -0.21 0.15 0.07 0.01 0.03 -0.18 0.16 0.18 -0.06 -0.05 0.01 -0.11 0.10 -0.01 -0.03 -0.03 0.03 -0.03 -0.06 0.00 -0.04 -0.07 0.02 0.02 0.04 0.02 0.03 0.03 0.01 0.01 -0.01 0.04 0.10 -0.08 0.03 -0.01 -0.10 -0.04 -0.02 -0.00 0.01 0.08 -0.02 -0.03 -0.05 -0.03 -0.03 0.04 -0.14 -0.02 -0.03 -0.03 -0.01 -0.05 0.04 -0.06 -0.08 -0.05 0.00 -0.05 0.19 -0.00 0.02 -0.04 0.01 0.03 -0.04 0.03 0.05 -0.02 -0.01 0.19 -0.12 0.07 0.21 0.08 -0.01 -0.00 -0.01 -0.00 0.08 -0.07 0.06 -0.15 0.19 -0.01 -0.05 0.19 -0.01 0.06 -0.08 -0.05 0.04 -0.04 0.03 -0.05 0.07 -0.00 -0.06 0.06 -0.14 0.05 0.09 0.03 -0.01 0.02 0.04 -0.00 -0.01 -0.02 0.00 -0.01 -0.02 -0.02 0.01 -0.01 0.00 0.02 0.01 -0.01 0.01 -0.05 0.07 -0.02 -0.05 0.09 0.01 -0.06 0.04 -0.01 -0.02 -0.01 0.00 -0.03 0.05 -0.02 -0.07 -0.04 0.01 0.38 -0.04 -0.11 0.23 0.01 -0.24 0.27 0.06 0.06 -0.18 0.02 0.18 -0.21 0.02 0.16 -0.11 0.03 0.08 -0.03 0.07 -0.01 0.15 0.07 -0.06 -0.09 -0.08 0.01 0.01 0.04 0.08 0.02 0.04 0.03 0.01 0.02 -0.02 -0.04 -0.07 0.03 -0.03 -0.03 0.04 -0.05 -0.08 -0.05 -0.02 -0.06 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.01 -0.04 0.02 -0.04 0.03 0.00 -0.03 0.09 0.36 0.08 0.11 0.19 0.07 -0.09 -0.03 0.01 -0.05 -0.01 -0.02 0.14 0.27 0.10 -0.08 -0.06 -0.03 -0.01 0.03 -0.03 0.01 0.02 -0.06 0.02 -0.02 0.04 0.02 -0.02 0.06 0.09 0.01 -0.03 0.00 0.01 -0.04 0.17 0.02 -0.08 0.13 -0.24 -0.05 0.31 -0.14 0.03 0.06 -0.15 -0.03 0.03 -0.01 -0.16 -0.00 -0.02 -0.17 -0.02 -0.02 -0.15 0.08 -0.00 0.02 0.03 0.01 0.03 0.02 -0.02 0.01 -0.17 -0.13 -0.24 -0.11 -0.10 -0.08 -0.08 -0.09 0.01 0.02 0.02 -0.03 0.03 0.01 -0.04 0.02 0.02 -0.03 0.01 -0.04 0.03 0.04 -0.02 -0.00 0.01 -0.03 0.02 -0.10 0.02 0.13 -0.07 0.03 0.06 -0.11 0.01 0.09 -0.11 -0.06 0.12 -0.07 -0.08 -0.01 -0.08 -0.06 0.06 0.01 0.07 0.07 0.03 0.02 0.09 0.05 0.02 -0.01 0.03 0.01 0.08 -0.04 0.02 0.03 -0.02 0.03 -0.01 0.01 -0.03 0.11 -0.04 0.03 -0.03 -0.08 0.03 0.04 0.13 -0.05 0.07 -0.04 0.04 -0.05 0.01 0.06 0.04 0.01 0.01 0.03 0.32 0.02 -0.01 0.25 -0.02 -0.00 0.03 0.03 0.03 0.31 0.05 0.12 0.04 -0.08 0.05 -0.04 -0.03 0.12 -0.02 0.07 -0.14 -0.03 0.07 -0.14 0.06 -0.09 0.13 0.05 -0.11 0.12 0.01 -0.05 0.13 0.04 -0.03 0.00 0.07 -0.01 0.03 0.01 -0.03 -0.01 0.04 0.01 -0.02 0.02 -0.01 -0.03 -0.02 -0.01 -0.02 -0.26 -0.22 -0.08 -0.05 -0.30 -0.14 -0.07 -0.11 -0.05 -0.02 -0.07 -0.03 -0.01 -0.09 -0.01 0.04 -0.04 0.01 -0.06 0.08 0.08 -0.06 0.06 0.07 -0.06 0.07 0.09 -0.04 0.10 -0.04 -0.11 0.06 -0.01 -0.03 0.05 -0.01 -0.03 -0.02 0.01 -0.03 -0.03 0.04 -0.05 -0.04 0.06 -0.02 -0.04 -0.02 -0.02 -0.04 -0.02 -0.02 -0.03 0.00 0.08 0.17 -0.14 0.07 -0.01 -0.18 0.04 0.05 0.02 0.04 0.12 -0.04 -0.01 0.02 0.04 -0.00 -0.00 0.05 0.02 -0.02 0.10 -0.01 0.02 -0.01 -0.02 0.03 0.05 -0.01 0.02 -0.08 -0.12 0.09 0.10 -0.11 0.10 0.10 -0.12 -0.02 0.08 -0.12 0.00 0.05 -0.11 0.02 0.01 -0.04 0.02 0.08 -0.12 0.01 -0.02 0.03 -0.01 -0.07 0.02 0.02 -0.08 -0.02 0.08 -0.10 0.05 0.10 -0.13 0.11 -0.08 0.07 0.07 -0.07 0.09 -0.07 0.00 0.12 0.13 -0.06 0.07 0.11 -0.08 0.07 0.06 -0.12 -0.02 0.05 0.06 0.24 -0.02 0.06 0.24 -0.04 0.00 0.18 0.09 0.10 0.02 0.09 0.05 -0.09 0.01 0.21 -0.02 -0.00 -0.04 0.02 -0.02 -0.05 -0.05 -0.02 -0.05 -0.08 -0.05 -0.06 -0.10 -0.06 -0.03 -0.11 -0.07 -0.01 -0.08 -0.04 -0.03 0.03 -0.01 -0.01 -0.01 -0.03 -0.02 0.02 -0.09 0.03 -0.18 -0.04 0.03 -0.12 -0.15 -0.05 -0.07 -0.02 -0.01 -0.15 -0.06 -0.03 0.01 -0.01 0.01 -0.05 0.10 -0.11 -0.21 0.10 -0.01 -0.21 -0.03 0.03 0.06 0.12 -0.12 -0.25 -0.03 0.02 0.04 -0.01 0.02 0.01 0.02 -0.05 0.13 -0.02 0.02 -0.02 -0.07 0.03 0.05 -0.06 -0.05 0.22 0.12 -0.10 0.08 -0.05 0.05 -0.02 -0.02 -0.00 -0.02 0.07 0.05 -0.16 0.05 0.02 -0.06 -0.03 -0.01 -0.02 0.06 0.04 -0.05 -0.09 0.00 0.20 -0.09 0.01 0.19 0.10 -0.18 0.25 0.13 -0.17 0.27 -0.06 0.16 -0.21 -0.04 0.18 -0.22 0.08 0.05 -0.23 0.08 -0.02 0.05 0.08 -0.03 0.00 0.00 -0.03 -0.01 -0.03 0.04 -0.01 -0.01 0.02 -0.00 -0.04 0.04 0.01 -0.03 0.01 -0.03 0.04 -0.04 -0.11 -0.04 0.11 -0.05 -0.00 -0.01 0.04 0.00 -0.07 0.04 0.02 0.00 -0.08 0.00 0.04 -0.05 -0.00 -0.02 -0.08 -0.01 0.04 -0.02 -0.04 -0.05 -0.03 -0.06 -0.08 0.01 -0.03 -0.07 -0.03 0.05 -0.03 -0.01 -0.06 -0.02 -0.02 0.11 0.10 -0.10 -0.02 -0.04 -0.02 -0.02 -0.02 0.00 -0.03 -0.04 -0.00 0.09 -0.05 -0.19 0.07 -0.01 -0.21 -0.00 0.04 0.04 0.09 -0.06 -0.18 0.03 -0.03 -0.05 0.01 -0.01 -0.05 -0.03 0.05 -0.15 0.03 -0.04 0.04 0.07 -0.05 -0.06 -0.00 -0.00 0.08 0.01 -0.04 0.15 -0.05 0.04 0.14 -0.08 0.01 0.12 0.10 0.02 -0.05 0.09 0.01 0.03 -0.02 0.06 0.12 0.09 0.01 0.02 -0.05 0.03 0.07 -0.02 -0.02 0.09 0.05 -0.06 0.10 0.10 -0.04 0.07 0.09 0.04 -0.11 0.04 0.08 -0.09 -0.10 0.11 -0.05 -0.01 -0.09 -0.06 -0.00 -0.07 0.07 0.09 -0.11 0.00 -0.02 -0.01 0.28 -0.06 0.07 0.30 0.04 -0.01 0.19 -0.07 -0.09 -0.01 -0.09 -0.05 0.08 0.01 -0.20 0.03 -0.04 -0.03 -0.05 -0.07 0.01 -0.11 -0.03 -0.03 0.13 0.02 -0.02 0.09 0.06 -0.02 0.13 0.04 0.01 0.04 0.05 0.01 -0.06 0.04 -0.02 -0.01 0.03 -0.01 -0.01 -0.10 0.05 -0.22 -0.04 0.04 -0.06 -0.13 -0.03 -0.18 0.03 0.06 -0.11 -0.00 0.07 0.03 0.02 0.06 -0.08 -0.09 0.12 0.18 -0.04 0.04 0.22 -0.09 -0.07 -0.01 -0.06 0.08 0.17 -0.08 -0.03 -0.02 -0.07 0.08 -0.15 -0.03 -0.07 0.05 -0.06 -0.03 0.02 -0.11 -0.05 -0.02 -0.02 -0.05 -0.06 -0.04 0.03 0.01 -0.08 0.07 -0.16 -0.02 0.04 -0.14 -0.02 -0.14 -0.01 0.03 -0.12 0.10 -0.08 -0.03 -0.13 -0.01 -0.17 -0.05 -0.02 0.08 -0.05 0.02 0.07 -0.11 -0.02 0.01 -0.01 0.03 0.03 -0.05 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.15 0.05 0.05 0.08 -0.08 0.03 0.12 -0.08 -0.06 -0.01 -0.04 -0.02 0.05 -0.01 0.02 0.02 0.05 0.02 -0.02 -0.06 -0.05 0.03 0.07 0.01 0.00 0.07 -0.03 -0.04 0.11 -0.02 0.03 0.03 0.11 -0.00 0.06 0.03 -0.03 0.00 0.02 0.13 -0.01 0.34 0.19 0.03 0.41 0.16 0.07 0.27 0.14 0.03 -0.14 0.14 0.01 -0.08 0.03 -0.04 0.06 0.03 0.13 -0.05 0.11 0.11 0.10 -0.01 0.03 -0.06 -0.06 -0.04 0.07 -0.05 -0.06 0.05 -0.02 -0.04 -0.03 0.03 -0.03 -0.03 0.02 -0.01 -0.04 -0.02 -0.04 -0.04 0.04 -0.07 -0.03 -0.03 -0.01 0.01 -0.02 0.02 -0.04 0.01 -0.03 0.06 -0.02 -0.01 -0.00 -0.05 -0.01 0.00 -0.04 0.01 0.02 0.05 -0.01 -0.01 0.27 -0.13 0.19 0.17 -0.02 0.15 -0.00 0.01 -0.02 -0.00 0.00 0.07 0.25 -0.00 0.16 -0.00 -0.00 -0.02 -0.05 0.06 0.02 -0.01 0.01 0.01 0.02 -0.00 0.02 0.01 -0.00 -0.00 0.13 -0.01 -0.03 0.01 0.01 -0.02 0.11 0.05 -0.05 -0.13 0.25 0.03 -0.15 0.26 0.05 -0.15 0.19 -0.03 -0.03 -0.02 -0.02 -0.04 0.02 -0.03 0.01 -0.01 -0.04 -0.00 0.06 -0.01 0.04 0.03 -0.06 -0.03 0.13 -0.03 -0.05 -0.10 -0.16 -0.03 -0.04 -0.10 -0.08 -0.11 -0.12 0.04 -0.11 0.11 0.08 -0.09 0.16 0.04 0.01 0.07 0.08 -0.03 -0.07 0.11 -0.03 -0.01 0.02 -0.03 0.01 -0.20 0.11 0.02 -0.08 0.11 0.05 -0.26 -0.02 0.04 0.02 -0.00 0.01 0.02 0.03 -0.03 -0.02 -0.01 0.03 0.02 -0.09 -0.12 -0.01 -0.08 -0.16 0.01 -0.00 -0.01 -0.04 0.03 -0.11 -0.03 -0.02 -0.01 -0.03 0.03 -0.08 -0.01 -0.04 0.02 -0.03 -0.02 -0.01 -0.05 -0.03 -0.01 0.02 -0.09 -0.06 0.04 -0.05 -0.04 -0.03 -0.01 0.24 -0.04 -0.01 0.24 -0.03 -0.18 -0.01 0.02 -0.15 -0.10 -0.02 0.02 0.23 -0.02 -0.18 -0.05 0.07 -0.05 -0.05 0.02 0.07 -0.11 -0.00 -0.01 0.01 -0.05 -0.04 0.03 -0.06 0.01 -0.01 0.00 -0.00 -0.01 -0.21 0.05 0.05 0.00 0.02 0.01 -0.04 0.01 0.11 0.06 -0.06 -0.00 -0.08 -0.04 -0.03 0.00 -0.06 -0.02 0.05 0.03 0.04 0.06 0.06 0.02 0.01 0.06 -0.01 -0.02 0.09 -0.00 -0.10 -0.06 -0.07 -0.08 -0.11 -0.02 -0.04 -0.02 -0.05 0.07 0.32 0.08 0.03 0.26 0.02 0.10 0.13 0.11 -0.07 0.06 0.04 -0.10 0.06 -0.04 -0.04 0.01 0.05 0.14 -0.12 -0.01 0.06 -0.14 0.05 0.19 -0.04 -0.08 0.18 0.12 -0.11 0.16 0.17 -0.08 0.11 0.09 -0.08 -0.01 -0.04 -0.02 -0.02 -0.02 -0.04 -0.02 -0.03 -0.02 -0.02 -0.01 -0.03 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.02 0.01 -0.01 -0.01 -0.02 -0.02 -0.00 0.01 -0.02 0.05 0.01 0.09 -0.07 -0.12 -0.20 0.01 0.12 -0.16 -0.03 0.14 0.01 0.08 0.01 0.00 0.07 0.09 -0.17 -0.02 0.11 0.01 0.06 0.02 -0.04 0.05 0.01 0.00 -0.03 0.03 -0.03 0.02 -0.01 -0.16 -0.02 -0.02 -0.03 0.01 0.03 -0.03 0.01 0.03 0.43 -0.18 -0.09 0.06 -0.08 0.00 -0.01 -0.11 0.08 0.15 -0.14 0.03 -0.09 -0.06 -0.17 0.02 -0.04 -0.16 0.08 0.03 -0.09 -0.03 -0.01 -0.01 -0.00 -0.02 -0.02 -0.01 0.01 -0.01 0.04 0.02 0.01 0.03 0.03 -0.01 0.02 0.01 0.03 0.01 -0.20 0.02 0.03 -0.16 0.06 -0.01 -0.05 0.00 0.07 -0.03 -0.03 0.11 -0.03 0.04 0.03 0.03 -0.04 -0.02 0.10 0.09 -0.00 0.12 0.02 -0.04 0.09 0.15 0.22 0.14 -0.10 0.21 0.19 -0.09 0.16 0.12 -0.08 0.01 0.01 -0.01 0.01 -0.01 -0.01 0.05 0.00 -0.01 0.02 -0.02 -0.00 0.01 0.00 0.01 0.02 -0.01 -0.00 0.01 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 0.01 0.14 -0.06 -0.17 0.13 -0.11 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.03 0.01 0.11 -0.04 0.00 0.15 0.00 -0.00 -0.01 -0.02 0.02 0.03 0.22 -0.17 -0.16 0.00 0.16 -0.18 0.09 -0.13 0.10 0.06 -0.15 0.16 -0.00 0.07 -0.08 -0.01 0.06 -0.09 0.27 -0.04 -0.15 -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 0.03 -0.01 0.03 0.01 -0.02 -0.01 0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.01 0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.01 -0.01 -0.16 0.08 -0.07 -0.00 0.09 -0.04 -0.05 0.09 -0.22 0.31 -0.06 -0.46 0.20 -0.07 -0.09 0.12 -0.02 -0.05 0.07 0.00 -0.03 0.08 -0.01 -0.05 0.06 0.02 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -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 0.00 0.03 0.03 0.00 0.01 0.03 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.02 0.01 0.01 0.00 -0.02 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.02 0.00 -0.02 0.01 0.01 -0.05 -0.06 0.04 0.05 0.03 0.05 0.07 0.85 -0.42 -0.15 -0.01 0.01 -0.00 0.00 0.02 -0.00 -0.02 0.01 -0.01 0.01 0.02 0.03 0.02 0.01 0.03 -0.02 0.01 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.02 -0.00 -0.04 -0.02 0.00 -0.03 -0.01 0.00 0.02 0.01 0.01 0.03 -0.01 0.01 0.02 0.03 0.01 0.01 -0.01 0.00 0.02 -0.00 0.01 -0.00 -0.00 0.01 0.04 -0.02 -0.06 -0.06 -0.01 -0.05 0.05 0.09 0.10 -0.02 -0.02 0.00 -0.03 -0.01 0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 0.00 -0.01 0.02 0.00 0.01 0.01 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 0.02 -0.00 -0.03 0.01 -0.01 0.07 0.02 0.06 0.08 0.03 0.07 -0.00 0.05 0.01 -0.02 0.04 0.06 0.05 0.02 0.09 -0.00 0.06 0.02 -0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.03 0.01 -0.01 -0.05 0.00 0.02 -0.12 -0.02 0.01 0.02 -0.04 -0.00 -0.56 0.14 0.14 -0.01 0.02 -0.00 0.01 0.04 0.02 -0.03 0.01 -0.01 0.03 -0.00 0.00 0.07 0.05 0.02 0.01 -0.02 -0.03 -0.01 -0.01 -0.00 0.02 -0.03 -0.01 0.00 0.00 -0.00 -0.20 -0.10 0.01 -0.20 -0.04 0.06 -0.20 -0.10 0.05 -0.01 -0.17 -0.01 -0.02 -0.10 0.01 -0.03 -0.09 -0.01 0.02 0.00 -0.02 0.02 -0.01 0.01 0.01 0.01 -0.02 0.30 0.13 -0.07 0.22 0.14 -0.04 0.35 0.18 -0.17 -0.03 -0.01 -0.01 -0.03 -0.02 -0.01 -0.03 -0.01 0.01 0.01 0.02 -0.01 0.01 -0.02 -0.01 0.02 0.01 -0.01 -0.01 0.05 -0.01 -0.01 -0.01 -0.00 -0.05 -0.05 0.08 0.02 0.12 0.03 0.08 0.02 -0.10 -0.07 -0.11 -0.04 0.03 0.03 0.00 -0.02 -0.02 0.06 0.00 0.01 -0.01 -0.02 0.07 -0.02 -0.00 -0.00 -0.00 0.02 0.01 -0.00 -0.00 0.02 -0.01 0.01 -0.02 -0.03 -0.00 -0.00 -0.00 0.08 -0.16 0.05 -0.00 -0.01 0.01 0.06 0.03 -0.17 0.00 0.01 -0.01 0.02 0.08 0.06 -0.02 -0.09 0.06 -0.00 -0.00 -0.00 -0.12 -0.06 0.10 0.46 0.10 0.43 0.01 -0.01 0.00 -0.03 -0.02 -0.00 0.03 0.00 0.01 -0.00 0.00 0.01 0.09 -0.09 -0.16 -0.10 0.23 -0.06 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.04 0.03 0.01 0.02 -0.00 0.02 -0.01 0.02 -0.03 0.06 -0.01 0.01 -0.01 0.10 0.06 0.01 -0.12 0.06 0.08 -0.00 0.01 -0.00 0.04 0.00 0.02 -0.01 -0.03 -0.02 -0.01 0.00 0.02 0.01 -0.01 -0.03 0.03 0.00 -0.07 -0.00 -0.01 -0.01 -0.16 -0.18 -0.19 -0.12 -0.12 -0.12 -0.16 -0.04 0.26 0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.02 0.01 0.00 0.02 -0.02 0.01 0.01 -0.02 0.01 -0.01 0.22 -0.15 -0.26 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.02 0.01 0.00 0.01 0.01 -0.01 0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.02 0.04 -0.02 0.01 0.03 -0.01 -0.43 -0.18 0.48 -0.01 -0.01 0.02 -0.09 -0.22 -0.17 0.09 0.24 -0.18 -0.00 -0.00 -0.00 -0.05 -0.02 0.04 0.20 0.05 0.19 0.01 0.01 0.02 0.10 0.06 0.03 0.06 0.03 0.02 -0.00 0.00 -0.00 0.02 -0.02 -0.04 -0.02 0.05 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.02 -0.03 -0.03 -0.02 0.03 0.04 0.01 -0.01 -0.00 -0.05 -0.05 0.04 0.10 0.04 -0.16 0.00 -0.01 -0.01 -0.03 -0.01 0.01 -0.01 0.01 0.06 -0.01 -0.01 -0.00 -0.02 0.01 0.03 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 -0.08 -0.06 -0.10 0.09 0.03 0.01 -0.07 -0.02 0.12 -0.01 0.02 -0.00 0.12 -0.12 -0.07 -0.12 -0.03 -0.11 0.08 0.03 0.15 -0.14 0.14 0.07 0.05 0.03 0.01 -0.14 0.10 0.16 0.01 0.01 -0.00 -0.03 0.05 -0.02 -0.01 -0.01 -0.01 0.04 0.01 0.02 0.02 0.00 -0.01 0.01 -0.04 -0.05 -0.01 -0.00 -0.00 0.02 -0.10 0.07 -0.01 -0.02 0.01 0.28 0.12 -0.31 0.01 0.00 -0.01 0.08 0.14 0.11 -0.08 -0.16 0.13 -0.00 0.00 0.00 -0.10 -0.04 0.10 0.35 0.05 0.30 -0.00 -0.01 -0.02 -0.05 -0.01 -0.02 -0.05 -0.04 -0.06 0.00 0.00 -0.01 0.02 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.06 0.03 0.03 0.01 -0.06 0.00 -0.01 0.01 -0.05 -0.03 -0.05 -0.07 0.11 0.09 0.00 0.01 0.01 0.02 0.02 -0.02 0.05 0.04 -0.07 0.00 0.00 0.02 -0.03 0.01 -0.02 0.03 0.04 -0.04 0.00 0.00 -0.01 0.00 -0.05 0.05 0.06 0.03 -0.00 0.03 -0.00 -0.05 -0.16 -0.02 -0.24 0.10 0.16 0.14 -0.11 -0.03 0.19 0.03 0.01 -0.01 -0.00 0.08 -0.01 0.04 -0.07 0.01 -0.10 -0.03 0.01 0.10 0.01 -0.01 -0.07 -0.09 -0.01 -0.12 0.13 0.09 0.01 0.01 -0.01 -0.03 0.07 -0.02 0.00 0.01 0.00 -0.03 -0.01 0.02 0.01 0.02 -0.01 -0.01 0.03 0.05 0.00 -0.00 0.01 -0.12 0.28 -0.12 -0.00 -0.00 0.00 0.21 0.08 -0.08 0.00 0.00 -0.00 0.02 0.03 0.02 -0.01 -0.03 0.03 -0.02 -0.01 -0.01 -0.16 -0.07 0.11 0.50 0.10 0.47 -0.02 0.01 -0.00 -0.02 0.01 -0.00 -0.05 -0.01 -0.02 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.05 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.01 0.02 0.01 0.02 -0.02 -0.01 -0.01 0.01 0.00 0.01 0.00 -0.01 -0.05 0.00 -0.01 0.00 -0.13 -0.07 -0.06 0.12 -0.12 -0.03 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.01 0.01 -0.04 0.02 0.06 0.00 -0.08 -0.01 -0.00 -0.01 -0.14 -0.08 -0.15 0.09 0.01 -0.01 -0.13 -0.05 0.21 -0.00 0.01 0.00 -0.00 -0.04 0.02 -0.01 0.04 -0.00 0.05 0.02 -0.01 -0.05 -0.03 -0.01 -0.19 -0.21 -0.03 -0.17 0.25 0.05 0.00 -0.00 0.00 -0.01 0.02 0.00 0.01 0.01 -0.00 -0.03 -0.02 0.07 0.00 -0.01 0.00 -0.02 0.01 0.16 -0.01 -0.01 0.01 -0.15 0.43 -0.28 0.00 0.01 -0.01 0.26 0.07 0.18 -0.01 -0.01 0.02 -0.05 -0.15 -0.12 0.08 0.16 -0.13 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.05 -0.05 -0.08 0.00 -0.02 -0.01 -0.04 -0.04 -0.01 -0.10 -0.06 -0.01 -0.01 0.00 -0.00 -0.06 0.02 0.02 0.24 -0.06 0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 0.01 0.00 0.01 -0.01 0.03 -0.00 0.01 -0.01 0.02 0.01 -0.01 -0.00 -0.21 -0.11 -0.10 0.21 -0.19 -0.06 0.00 0.00 -0.00 0.01 0.00 -0.02 -0.00 -0.00 0.03 0.01 0.01 0.00 0.02 -0.06 -0.00 0.07 0.04 -0.02 0.01 0.00 -0.00 0.03 0.04 0.03 -0.14 -0.04 -0.02 0.04 0.00 -0.06 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.25 -0.19 -0.04 0.17 -0.29 -0.01 -0.00 0.00 -0.00 0.02 -0.03 0.01 0.01 0.00 -0.00 -0.04 -0.02 0.04 -0.00 -0.01 0.00 -0.03 0.01 0.22 -0.01 -0.01 0.01 0.03 0.19 -0.32 -0.01 -0.01 -0.00 -0.30 -0.09 -0.16 0.01 0.01 -0.02 0.10 0.23 0.18 -0.11 -0.26 0.20 -0.00 -0.00 -0.00 0.03 0.01 -0.03 -0.01 0.05 0.03 0.01 0.01 0.00 0.02 0.02 0.00 0.11 0.05 0.01 -0.01 0.01 -0.00 -0.09 0.05 0.06 0.36 -0.13 0.12 0.00 -0.00 0.00 0.00 -0.02 -0.00 0.01 0.01 -0.03 0.01 0.01 -0.00 -0.00 -0.02 -0.02 -0.00 0.00 0.02 0.01 -0.00 0.01 0.03 -0.00 0.09 0.01 0.11 -0.10 -0.01 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.01 -0.06 -0.01 -0.01 -0.00 -0.01 0.06 -0.02 -0.08 -0.03 0.05 0.01 0.00 -0.01 -0.02 0.03 -0.03 0.03 0.01 0.00 0.00 -0.02 0.02 0.01 0.01 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.02 -0.03 -0.00 -0.02 -0.02 0.05 -0.01 -0.00 0.00 0.04 -0.12 0.02 0.00 0.01 0.01 0.08 0.04 0.04 -0.02 0.01 0.01 0.02 -0.08 -0.06 0.00 -0.00 0.00 -0.11 0.20 -0.04 -0.01 -0.00 -0.00 0.01 0.01 -0.05 0.00 0.01 -0.01 0.04 0.09 0.07 -0.04 -0.10 0.08 0.01 -0.01 0.00 0.18 0.08 -0.14 -0.23 0.15 -0.06 -0.00 -0.00 0.00 -0.01 -0.02 0.00 0.04 0.02 0.02 0.01 -0.01 0.00 0.13 -0.18 -0.32 -0.26 0.42 -0.15 -0.00 0.01 -0.01 -0.01 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 0.01 -0.10 -0.05 -0.10 -0.07 0.02 0.13 0.00 -0.01 0.01 -0.14 -0.08 -0.02 0.25 0.01 -0.30 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.00 -0.01 -0.02 0.00 0.00 -0.01 -0.00 0.05 -0.03 -0.09 -0.00 0.17 -0.00 -0.00 0.02 -0.02 -0.14 -0.01 0.07 -0.00 -0.01 -0.05 -0.01 0.09 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 0.01 0.00 -0.08 -0.08 -0.01 -0.03 0.09 -0.03 -0.01 -0.00 0.01 0.08 -0.19 0.04 0.00 0.00 -0.00 -0.05 -0.03 0.01 -0.03 -0.02 0.02 -0.02 0.04 0.11 -0.00 -0.00 0.00 0.10 -0.08 -0.10 0.00 0.00 0.01 0.10 0.04 -0.01 -0.00 -0.01 0.01 -0.06 -0.12 -0.10 0.04 0.15 -0.11 0.01 -0.02 -0.00 0.28 0.12 -0.22 -0.18 0.38 0.14 -0.01 -0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.02 -0.01 0.00 -0.00 0.01 -0.03 -0.06 0.18 0.06 0.03 -0.00 0.00 0.00 0.00 -0.03 -0.00 0.03 0.02 0.01 -0.01 -0.00 -0.01 0.09 0.06 0.10 0.06 0.02 -0.13 0.00 0.01 -0.01 0.13 0.07 0.01 -0.25 -0.03 0.33 0.00 -0.00 -0.00 -0.03 0.00 -0.01 0.01 0.03 0.04 0.01 0.01 -0.01 -0.00 0.09 -0.04 -0.14 -0.01 0.24 0.00 0.00 -0.00 -0.13 -0.08 -0.15 0.06 0.02 0.03 -0.10 -0.05 0.20 -0.01 0.01 0.01 0.01 -0.00 -0.02 -0.02 -0.02 -0.00 0.00 0.01 0.02 0.02 0.01 0.01 -0.18 -0.15 -0.03 0.04 -0.03 -0.05 0.01 -0.00 -0.00 -0.07 0.12 -0.04 0.01 0.01 -0.00 -0.01 -0.00 0.05 0.01 0.05 -0.03 -0.01 -0.01 0.14 -0.00 -0.01 0.01 0.10 0.02 -0.23 0.00 -0.00 0.01 -0.04 -0.01 -0.03 -0.00 -0.00 0.00 -0.02 -0.02 -0.02 0.00 0.03 -0.02 -0.00 0.01 0.00 -0.17 -0.07 0.13 0.08 -0.25 -0.13 -0.00 0.01 0.00 0.02 0.03 0.01 -0.02 -0.01 -0.02 0.00 -0.02 0.00 0.08 -0.20 -0.38 0.05 0.44 -0.08 -0.00 0.01 -0.01 -0.01 0.06 0.00 -0.02 -0.00 0.11 -0.01 -0.00 -0.02 0.08 0.04 0.08 0.04 0.01 -0.12 0.01 0.01 -0.00 0.12 0.06 0.05 -0.22 -0.01 0.28 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.02 -0.01 -0.00 0.01 -0.00 -0.07 0.05 0.11 0.01 -0.17 -0.00 -0.01 0.02 0.11 -0.08 0.13 0.05 0.02 -0.00 0.05 0.02 -0.09 -0.01 0.01 -0.01 0.00 -0.02 0.00 -0.00 -0.00 0.00 0.02 0.01 0.01 -0.01 -0.00 -0.01 0.08 0.01 0.01 0.03 -0.09 0.04 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.01 0.02 0.04 -0.14 -0.00 -0.01 -0.00 -0.21 0.25 0.06 -0.00 0.00 -0.02 -0.18 -0.09 0.26 0.01 0.01 -0.01 0.18 0.13 0.11 -0.08 -0.20 0.16 0.00 -0.00 0.00 0.05 0.02 -0.03 -0.04 0.05 0.01 0.00 0.01 -0.00 -0.05 0.03 -0.01 -0.06 -0.03 -0.05 0.01 -0.00 -0.00 0.06 0.01 0.07 -0.28 -0.03 -0.07 0.00 0.00 0.00 0.02 -0.07 0.02 0.06 0.03 -0.05 -0.01 -0.00 -0.01 0.21 0.06 0.21 0.13 0.02 -0.26 0.02 0.01 -0.00 -0.15 -0.08 -0.05 -0.04 -0.30 0.37 -0.01 -0.00 0.00 -0.12 -0.00 0.04 0.05 0.11 -0.09 0.00 0.01 0.00 0.01 -0.04 -0.00 0.05 0.02 -0.02 -0.00 -0.00 -0.00 -0.04 0.01 -0.04 -0.09 -0.01 -0.02 -0.03 0.00 0.04 -0.01 0.02 0.01 0.04 -0.01 0.00 -0.03 -0.02 0.01 -0.02 0.04 -0.01 0.02 -0.02 -0.00 0.16 0.20 0.03 -0.02 0.00 0.03 -0.00 -0.01 0.01 -0.04 0.05 -0.01 -0.01 -0.01 -0.01 -0.17 -0.07 -0.18 0.01 0.00 -0.00 -0.07 0.17 0.16 0.01 0.01 -0.01 -0.02 -0.15 0.25 0.01 -0.00 -0.01 -0.04 -0.04 0.17 -0.00 0.01 -0.00 0.04 0.08 0.06 0.01 -0.10 0.06 0.01 -0.01 -0.00 0.12 0.05 -0.06 -0.11 0.10 -0.01 0.00 -0.00 -0.00 -0.05 0.07 -0.00 -0.09 -0.07 -0.09 -0.02 -0.00 0.00 0.05 -0.08 -0.14 0.50 0.12 0.11 0.00 0.00 -0.00 -0.01 0.05 -0.02 -0.03 -0.01 0.06 0.01 0.00 0.01 0.01 0.02 0.02 0.06 -0.14 -0.03 -0.00 0.00 0.00 -0.08 -0.04 -0.03 0.11 -0.04 -0.09 -0.00 0.00 -0.00 0.11 -0.01 0.09 -0.04 -0.12 -0.05 -0.01 0.01 0.01 0.02 -0.16 0.05 0.21 0.07 -0.21 0.00 -0.00 0.00 -0.05 -0.10 -0.06 -0.12 -0.04 -0.06 -0.06 0.00 0.10 -0.00 -0.02 -0.01 -0.02 -0.01 -0.02 0.00 0.01 0.01 0.01 -0.01 0.01 0.00 0.02 -0.00 0.10 0.14 0.02 -0.09 0.05 0.13 0.01 0.01 -0.01 0.09 -0.10 0.03 -0.01 -0.01 -0.01 -0.02 -0.00 -0.07 -0.06 0.08 0.01 -0.02 -0.00 0.09 0.01 0.01 -0.01 -0.01 -0.09 0.16 -0.00 0.00 -0.02 0.03 -0.02 0.21 0.00 0.00 -0.00 0.13 0.00 0.01 -0.04 -0.06 0.05 -0.02 0.00 -0.00 -0.18 -0.09 -0.01 0.20 -0.03 0.14 0.00 -0.01 -0.00 -0.05 -0.11 -0.01 0.05 0.04 0.09 -0.00 -0.01 0.01 -0.11 -0.06 -0.18 0.27 0.15 0.04 -0.00 0.00 -0.01 0.01 -0.05 0.02 0.09 0.05 0.09 0.00 -0.00 0.01 0.07 -0.03 0.05 0.03 0.04 -0.06 -0.01 -0.00 -0.00 -0.09 -0.04 -0.01 0.06 -0.06 -0.03 -0.00 0.00 0.00 -0.13 0.01 -0.03 0.05 0.14 -0.05 0.01 -0.01 -0.01 -0.00 0.19 -0.12 -0.28 -0.07 0.35 -0.00 0.00 0.00 0.17 0.09 0.19 -0.01 0.01 0.05 0.19 -0.12 -0.20 0.00 0.01 0.00 0.01 -0.01 -0.01 -0.02 -0.01 -0.00 0.01 0.02 -0.00 -0.01 -0.01 0.00 0.12 0.03 0.02 0.12 -0.07 -0.16 0.00 0.01 -0.01 0.01 -0.11 -0.02 0.00 -0.00 0.00 -0.14 -0.06 -0.05 0.04 -0.01 -0.03 -0.02 0.16 -0.03 -0.00 -0.01 -0.00 -0.18 0.17 0.11 -0.00 -0.00 0.02 -0.04 0.02 -0.25 -0.00 0.00 -0.00 -0.22 0.05 0.02 0.05 0.03 -0.05 -0.01 0.00 0.00 -0.08 -0.03 0.09 0.10 -0.09 0.01 0.00 0.00 0.00 0.08 0.01 0.01 0.06 0.03 0.03 -0.00 -0.00 -0.00 0.12 -0.01 0.05 0.02 -0.03 0.01 0.01 -0.01 0.00 -0.05 0.22 -0.06 -0.19 -0.11 0.09 -0.01 0.00 -0.00 0.01 0.14 0.06 0.06 -0.11 -0.07 0.01 -0.00 0.01 -0.07 -0.03 -0.09 0.03 -0.15 0.13 0.01 0.00 -0.00 0.32 -0.02 0.01 -0.12 -0.32 0.11 0.01 -0.00 -0.01 -0.01 0.12 -0.02 -0.19 -0.03 0.31 0.00 -0.00 -0.01 0.05 -0.05 0.03 0.03 0.00 -0.01 -0.01 0.10 -0.06 -0.00 0.04 0.02 0.06 -0.01 0.01 -0.03 -0.04 -0.00 -0.03 0.06 0.00 0.00 -0.04 -0.02 -0.09 -0.09 -0.01 0.02 -0.03 0.01 0.00 -0.00 0.01 0.04 -0.05 0.03 0.01 0.01 0.01 0.08 0.04 0.06 -0.04 0.05 0.02 0.03 -0.08 -0.03 -0.00 -0.00 0.01 0.09 -0.04 -0.12 0.01 0.00 -0.00 -0.06 -0.03 0.08 -0.00 0.01 -0.00 -0.03 0.03 0.01 0.03 -0.02 -0.00 -0.02 -0.02 -0.01 0.03 -0.01 -0.20 0.10 0.32 0.33 0.01 -0.01 -0.00 -0.07 0.01 -0.01 -0.10 -0.06 -0.04 0.02 -0.01 0.00 -0.16 0.04 0.01 -0.22 -0.04 -0.05 -0.00 -0.00 -0.00 -0.02 0.04 -0.04 -0.01 -0.01 0.10 -0.00 0.01 -0.00 -0.09 0.04 -0.07 -0.03 -0.09 0.08 0.00 0.00 -0.00 0.11 0.05 0.01 -0.08 0.06 0.04 0.00 0.01 -0.00 0.16 -0.00 0.01 -0.05 -0.15 -0.02 -0.00 0.01 -0.00 0.03 -0.12 -0.03 0.09 0.07 0.08 -0.00 0.01 -0.01 0.21 0.16 0.22 -0.30 -0.08 -0.08 0.24 -0.17 -0.25 0.02 0.02 0.02 0.03 0.02 0.01 -0.01 -0.02 -0.02 -0.03 0.01 -0.02 0.00 -0.03 0.01 -0.08 -0.12 -0.01 -0.15 0.09 0.19 -0.00 0.02 -0.01 -0.02 -0.11 -0.04 0.01 0.00 0.00 -0.03 -0.02 0.07 0.10 -0.07 -0.05 -0.00 0.03 0.00 -0.00 0.01 0.01 0.18 -0.16 -0.12 0.01 -0.00 -0.03 0.02 -0.06 0.45 -0.00 0.01 -0.00 0.14 0.06 0.05 -0.01 -0.13 0.08 0.01 0.01 0.00 -0.06 -0.00 0.19 0.03 -0.23 -0.16 -0.00 -0.00 -0.00 -0.10 -0.07 -0.02 -0.05 -0.02 0.01 -0.01 0.00 -0.01 0.12 0.01 0.08 -0.05 -0.05 -0.01 0.01 -0.00 0.00 -0.01 0.11 0.02 -0.13 -0.07 -0.09 0.00 -0.00 -0.00 -0.11 0.07 -0.07 -0.05 -0.04 0.10 -0.00 -0.00 -0.01 0.12 0.07 -0.03 -0.10 0.05 0.05 -0.01 -0.00 0.01 0.09 0.00 -0.05 -0.01 -0.06 -0.07 0.01 0.00 -0.01 0.02 0.01 -0.04 -0.09 0.03 0.36 0.01 -0.01 0.00 -0.10 -0.09 -0.12 -0.07 -0.04 -0.01 -0.15 0.17 0.11 0.00 0.05 0.04 0.07 0.00 0.01 -0.06 -0.04 0.01 -0.03 0.08 -0.03 0.01 -0.09 -0.02 -0.05 0.08 -0.01 0.08 -0.07 -0.05 0.00 0.01 -0.01 0.04 -0.06 0.01 0.00 0.00 0.01 -0.01 0.01 -0.13 -0.02 0.03 0.00 -0.00 0.03 0.01 -0.00 -0.01 -0.00 -0.05 0.06 -0.00 -0.00 0.01 0.03 -0.00 0.05 -0.34 0.00 -0.02 0.01 0.00 -0.13 -0.09 0.01 0.14 -0.09 0.01 0.01 0.00 -0.09 -0.04 0.09 0.02 -0.19 -0.13 0.00 -0.00 0.01 0.01 0.08 0.01 0.03 -0.01 -0.06 -0.00 0.00 -0.00 0.03 0.01 0.03 -0.01 -0.02 0.00 -0.01 0.01 0.00 0.05 -0.26 0.06 0.22 0.12 -0.11 0.01 0.01 0.00 0.16 -0.16 0.08 0.09 -0.03 -0.12 -0.00 0.00 0.01 -0.02 -0.03 0.15 0.01 0.10 -0.11 -0.00 0.00 -0.01 -0.31 0.00 0.14 0.09 0.27 -0.03 0.00 0.00 -0.01 0.02 -0.02 -0.04 -0.07 0.04 0.34 -0.01 -0.00 0.01 -0.07 -0.03 -0.06 -0.12 -0.10 -0.13 -0.07 0.01 0.09 -0.08 0.01 0.01 -0.01 -0.07 -0.09 -0.09 -0.01 0.11 0.06 0.07 -0.00 0.14 0.01 -0.02 -0.07 -0.08 -0.01 -0.07 0.00 0.15 -0.01 -0.00 -0.01 0.15 0.15 0.13 0.01 0.00 0.01 -0.04 -0.02 0.03 -0.15 -0.11 0.13 0.00 0.06 -0.04 -0.00 0.00 0.00 0.05 -0.01 -0.10 0.01 0.00 -0.01 0.02 -0.00 0.07 -0.00 0.00 -0.00 0.01 -0.02 -0.02 -0.00 0.02 -0.01 0.00 -0.00 0.00 0.03 0.01 0.01 0.01 0.03 0.02 0.01 0.00 -0.01 -0.04 -0.31 -0.02 0.12 0.14 0.31 -0.00 0.00 -0.00 0.10 0.02 0.09 -0.13 -0.06 -0.02 0.01 0.00 -0.00 -0.03 0.06 -0.10 -0.07 -0.04 -0.01 -0.01 -0.00 0.00 0.00 0.03 0.03 0.02 -0.04 -0.04 -0.01 -0.01 0.00 -0.00 -0.01 0.02 0.05 0.07 -0.14 -0.00 0.01 0.01 0.06 0.02 -0.13 -0.02 -0.03 0.03 -0.00 -0.01 0.02 0.01 0.27 -0.28 -0.20 -0.17 -0.35 -0.01 -0.00 0.01 -0.08 -0.07 -0.07 -0.08 -0.02 -0.06 -0.10 0.07 0.10 -0.01 -0.10 0.15 0.05 0.11 -0.13 -0.20 0.12 0.01 0.07 -0.10 -0.17 0.09 -0.07 0.23 -0.00 0.00 0.00 -0.01 0.07 -0.10 0.00 -0.00 0.01 -0.17 -0.13 -0.13 0.00 0.00 0.00 -0.02 -0.00 -0.03 0.16 0.11 -0.14 0.00 0.04 -0.05 0.00 0.00 0.00 -0.04 0.08 -0.01 -0.01 -0.01 -0.00 0.05 0.01 0.04 0.00 0.00 -0.00 0.03 0.05 0.04 -0.03 -0.06 0.06 -0.01 -0.01 -0.00 0.04 0.01 -0.07 0.07 0.17 0.19 -0.01 -0.00 -0.00 0.11 0.10 0.01 -0.07 -0.05 -0.08 -0.00 0.01 0.01 -0.01 0.06 0.13 -0.09 -0.13 0.01 -0.01 -0.00 -0.00 0.03 0.02 0.11 0.01 0.01 0.07 -0.02 -0.01 -0.02 0.01 -0.04 0.00 -0.01 -0.00 -0.04 0.01 0.00 0.00 -0.06 -0.03 0.00 0.04 -0.05 0.01 -0.00 -0.01 0.00 -0.08 -0.01 0.04 0.02 0.06 0.01 0.00 0.00 -0.01 -0.02 -0.19 0.26 0.19 0.10 0.08 0.01 0.00 -0.02 0.11 0.02 0.08 0.31 -0.05 0.31 0.10 -0.05 -0.12 -0.05 0.01 -0.04 -0.07 -0.07 -0.04 0.01 0.00 0.08 0.04 0.02 0.04 0.07 0.03 -0.08 -0.08 0.00 -0.01 -0.00 0.04 -0.05 0.00 0.01 0.02 -0.28 -0.27 -0.23 0.00 0.00 0.00 0.04 0.02 -0.03 0.32 0.13 -0.26 0.01 -0.03 -0.00 0.00 0.00 0.00 0.08 -0.07 -0.06 -0.00 -0.00 0.00 0.03 0.01 0.00 0.00 -0.00 -0.00 0.02 0.01 0.01 -0.01 -0.02 0.02 -0.00 -0.00 -0.00 0.04 0.03 0.04 0.03 0.03 0.05 -0.01 -0.00 -0.00 0.03 0.15 0.01 -0.10 -0.08 -0.15 0.00 0.00 -0.00 0.01 0.02 0.04 -0.04 -0.04 -0.00 -0.00 -0.00 -0.00 0.03 0.16 0.19 -0.11 -0.05 0.14 -0.00 0.00 0.00 0.05 -0.09 0.02 0.02 0.03 -0.04 -0.01 -0.00 0.00 -0.03 -0.03 0.08 0.06 0.08 -0.16 -0.00 -0.01 -0.01 -0.07 -0.01 0.04 0.02 0.05 -0.01 0.01 0.02 -0.01 -0.01 -0.22 0.29 0.16 0.15 0.33 -0.00 -0.00 0.00 0.01 -0.04 0.01 0.05 0.03 -0.06 -0.02 0.04 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.01 0.06 -0.07 0.01 -0.00 0.01 -0.03 0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.11 -0.15 0.37 -0.03 0.01 -0.01 -0.05 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.04 0.00 0.00 -0.00 -0.01 0.03 0.02 -0.00 -0.02 0.02 0.02 0.01 0.01 -0.12 -0.08 -0.10 -0.07 -0.12 -0.15 -0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.05 0.10 0.01 -0.12 0.03 -0.01 -0.00 -0.02 0.01 -0.08 0.02 0.28 0.14 0.66 0.00 -0.00 -0.00 -0.11 0.08 -0.07 -0.06 0.02 0.09 0.01 -0.00 0.00 0.04 0.04 -0.10 -0.02 -0.05 0.07 -0.00 0.00 0.00 0.05 0.01 -0.04 -0.01 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.02 0.00 -0.00 -0.02 -0.08 -0.11 -0.11 0.09 0.01 -0.02 -0.00 -0.21 0.15 -0.01 -0.01 -0.01 -0.04 -0.01 -0.03 0.00 0.02 0.02 0.02 -0.02 0.01 0.02 0.03 0.01 -0.10 -0.01 -0.01 -0.02 0.08 -0.08 0.01 0.00 -0.01 0.21 0.12 0.15 0.01 0.01 0.01 -0.04 -0.01 -0.11 -0.22 -0.05 0.17 -0.01 0.06 0.02 0.00 0.00 0.01 0.08 -0.05 -0.08 0.00 -0.01 -0.00 0.06 0.00 0.10 -0.00 0.01 0.00 -0.08 0.06 0.04 0.05 -0.05 0.01 0.00 0.01 0.00 -0.08 -0.04 -0.01 0.02 -0.08 -0.05 0.00 -0.02 0.01 -0.02 0.29 0.02 -0.06 -0.13 -0.29 0.01 -0.01 -0.00 -0.01 -0.01 -0.03 -0.12 0.04 -0.04 -0.01 0.00 0.01 -0.02 -0.29 -0.18 0.21 0.11 -0.18 -0.01 0.00 -0.01 -0.01 -0.03 -0.02 0.04 -0.16 -0.02 -0.00 0.00 -0.00 -0.01 -0.01 0.04 0.03 0.03 -0.07 0.00 0.01 -0.01 0.22 -0.03 0.30 -0.08 -0.27 -0.07 -0.00 0.00 -0.01 0.01 -0.06 -0.00 -0.00 0.04 0.19 -0.01 0.00 0.01 -0.06 0.06 -0.04 0.01 0.03 0.03 -0.00 -0.07 0.06 0.01 -0.00 -0.01 0.00 0.01 0.02 0.02 0.00 -0.02 -0.01 -0.02 0.00 -0.05 0.01 0.02 -0.17 0.01 -0.02 -0.07 0.02 0.14 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.02 -0.00 0.02 -0.22 -0.09 -0.21 -0.05 0.11 -0.01 -0.03 0.29 -0.01 0.00 0.00 0.00 0.12 -0.05 -0.14 0.01 -0.00 -0.00 0.05 0.01 0.04 -0.00 0.00 0.00 0.06 -0.05 -0.03 0.01 0.03 -0.02 -0.00 -0.01 0.00 0.01 -0.01 -0.06 0.00 0.06 0.05 0.00 -0.01 -0.00 -0.06 -0.01 -0.01 0.05 0.01 -0.02 -0.00 -0.00 -0.01 0.29 -0.00 0.14 -0.19 -0.06 -0.04 0.01 0.00 -0.01 -0.03 0.15 -0.04 -0.05 -0.03 0.32 0.00 0.01 0.01 0.24 -0.10 0.18 0.17 -0.08 -0.24 -0.02 -0.01 0.00 -0.01 -0.05 0.21 0.04 0.18 -0.25 0.00 -0.00 -0.00 -0.03 -0.01 0.11 0.01 0.01 -0.03 0.00 -0.00 0.00 -0.00 0.05 -0.03 -0.03 -0.03 -0.10 -0.00 -0.00 -0.01 0.08 -0.07 0.06 -0.01 0.02 0.02 0.02 0.07 -0.10 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.20 -0.32 0.02 0.05 -0.05 -0.04 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.34 -0.20 0.30 0.01 -0.00 -0.01 -0.04 0.34 -0.03 -0.01 0.02 -0.00 0.07 -0.10 -0.00 -0.00 0.00 0.01 -0.04 -0.00 -0.08 0.00 -0.00 0.00 0.04 -0.03 -0.02 -0.00 0.02 -0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.02 0.03 0.06 0.07 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.25 -0.06 0.02 -0.03 0.05 -0.02 -0.01 0.01 0.00 0.05 -0.19 0.08 0.15 0.08 -0.16 0.02 -0.01 0.00 -0.11 0.28 -0.01 0.00 -0.01 0.03 -0.01 -0.01 0.02 0.06 0.09 -0.28 0.11 -0.01 -0.12 -0.01 0.00 0.00 -0.10 0.01 -0.07 0.04 0.12 -0.03 -0.00 0.00 -0.00 0.00 -0.05 0.04 0.05 0.03 0.03 -0.01 -0.00 0.01 0.07 0.02 0.10 -0.01 0.00 -0.00 0.03 0.06 -0.12 -0.00 0.01 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.03 -0.00 -0.01 -0.04 -0.03 0.03 -0.04 0.00 -0.03 0.12 -0.14 0.00 -0.00 -0.01 0.19 0.16 0.16 -0.01 -0.00 -0.00 0.06 0.02 0.11 -0.20 -0.11 0.17 0.01 -0.06 -0.04 -0.00 0.00 -0.00 0.03 -0.05 0.01 -0.01 -0.01 -0.00 0.09 0.02 0.08 0.01 -0.00 -0.00 0.06 0.03 0.03 -0.05 -0.06 0.06 -0.00 -0.01 -0.00 0.03 0.01 -0.02 0.02 0.06 0.07 -0.02 0.01 0.02 0.12 0.21 0.04 0.07 -0.02 -0.17 -0.01 0.01 -0.00 0.13 0.02 0.09 0.09 -0.07 0.04 0.02 0.01 -0.00 -0.09 0.18 -0.25 -0.18 -0.09 0.10 0.00 -0.00 -0.00 0.00 -0.06 -0.03 -0.05 0.15 0.04 -0.00 0.00 -0.00 -0.01 0.01 -0.04 -0.00 -0.04 0.04 0.00 -0.02 0.01 -0.20 -0.01 0.04 0.06 0.16 0.03 -0.01 -0.00 -0.01 -0.00 -0.07 0.01 0.04 0.04 0.07 -0.00 -0.00 -0.00 0.12 -0.13 0.11 0.46 0.04 -0.10 -0.00 0.17 -0.13 0.01 0.01 0.00 0.03 -0.00 0.02 -0.01 -0.01 -0.00 -0.01 0.04 -0.00 -0.02 -0.04 -0.01 -0.06 -0.06 -0.01 -0.03 0.22 -0.28 -0.00 0.00 0.01 -0.16 -0.10 -0.12 0.00 0.01 0.00 0.02 0.01 0.05 0.17 0.05 -0.13 0.00 -0.04 0.03 0.00 0.02 0.01 0.18 -0.19 -0.07 -0.02 -0.01 -0.00 0.17 0.03 0.16 0.01 0.00 -0.00 -0.12 0.15 0.11 -0.04 -0.12 0.09 -0.00 0.00 -0.00 0.02 0.02 0.00 -0.02 0.01 -0.01 -0.01 -0.01 0.00 0.19 0.08 0.03 0.17 0.06 0.01 0.01 -0.00 0.00 -0.12 0.02 -0.02 -0.06 -0.01 -0.02 -0.01 -0.00 0.01 0.05 -0.13 0.13 0.10 0.05 -0.13 -0.01 0.00 -0.00 0.10 0.04 0.10 0.07 -0.02 -0.13 -0.01 -0.00 0.00 -0.10 -0.04 -0.06 0.10 -0.08 -0.05 0.00 0.01 -0.01 0.06 -0.01 0.11 -0.05 -0.09 0.07 0.01 -0.00 0.01 -0.07 0.30 0.10 -0.21 -0.15 -0.25 -0.00 0.00 0.00 0.01 0.04 0.02 0.21 0.00 -0.06 0.04 -0.07 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.00 0.01 -0.00 -0.00 0.02 0.07 0.00 -0.07 -0.01 0.17 -0.00 -0.00 0.01 -0.10 -0.09 -0.08 -0.00 -0.00 0.00 -0.06 -0.01 -0.16 0.11 0.05 -0.09 -0.01 0.10 -0.02 -0.00 -0.02 -0.00 -0.21 0.24 0.04 -0.00 0.00 -0.01 0.02 0.00 0.05 -0.01 0.00 0.01 0.13 -0.09 -0.06 0.04 0.03 -0.04 -0.00 -0.01 -0.00 0.04 0.02 0.01 0.01 0.05 0.05 -0.00 -0.01 0.01 -0.08 0.21 0.01 0.18 -0.01 -0.23 -0.01 0.00 -0.00 0.16 -0.02 0.04 0.03 0.00 0.01 -0.01 0.00 -0.00 0.04 -0.07 0.10 0.06 0.04 -0.04 0.02 0.00 -0.00 -0.19 -0.10 -0.23 -0.12 -0.08 0.26 0.02 0.00 -0.01 0.15 0.07 0.05 -0.19 0.07 0.17 -0.01 0.00 -0.00 -0.01 -0.02 0.18 0.02 -0.01 -0.16 0.01 -0.00 0.01 -0.04 0.24 0.02 -0.18 -0.13 -0.20 -0.01 -0.00 0.00 0.07 -0.03 0.08 0.11 0.02 -0.05 0.01 0.09 -0.10 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.10 0.14 -0.01 0.02 0.18 -0.31 0.00 -0.00 -0.00 0.02 0.03 0.01 0.00 -0.01 0.01 -0.10 -0.03 -0.29 -0.04 0.03 0.02 -0.03 0.16 0.02 0.00 -0.02 0.00 -0.09 0.13 -0.02 -0.01 -0.01 -0.00 0.10 0.01 0.14 0.01 -0.00 -0.01 -0.13 0.15 0.11 -0.07 -0.11 0.09 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 0.03 0.03 -0.00 0.01 -0.01 0.19 -0.27 0.00 -0.12 0.07 0.34 -0.00 -0.00 -0.00 0.21 -0.03 0.05 -0.02 0.01 -0.01 -0.01 0.00 0.00 0.03 -0.16 0.03 0.14 0.07 -0.07 0.01 0.00 0.01 -0.08 -0.13 -0.12 -0.07 0.00 0.16 0.01 -0.00 -0.01 0.08 0.01 0.14 -0.14 0.08 0.08 0.00 0.01 -0.01 -0.03 0.02 -0.12 -0.02 0.04 0.17 -0.01 0.00 -0.01 0.01 -0.14 0.04 0.11 0.07 0.08 -0.01 -0.00 0.00 0.04 -0.01 0.05 0.03 0.00 0.02 0.00 0.07 -0.07 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.02 -0.00 -0.02 -0.03 -0.02 0.07 0.01 0.00 -0.12 -0.07 0.39 0.00 -0.00 0.00 -0.04 0.03 -0.02 0.00 -0.00 -0.00 -0.03 -0.02 0.06 0.02 0.01 -0.02 -0.00 0.02 -0.01 -0.00 -0.01 -0.01 -0.13 0.13 0.06 0.01 0.00 -0.02 -0.01 -0.01 0.07 -0.01 0.00 -0.00 0.02 -0.05 -0.04 0.03 0.05 -0.05 -0.00 0.00 -0.00 -0.01 -0.01 -0.04 -0.02 0.01 -0.01 -0.02 0.02 -0.01 0.01 -0.12 -0.01 0.17 0.13 0.12 0.01 -0.00 0.00 -0.14 0.01 -0.03 -0.01 -0.01 0.00 -0.01 -0.00 0.01 0.01 -0.13 -0.02 0.09 0.05 -0.16 -0.01 -0.00 0.00 0.09 0.09 0.13 0.06 0.05 -0.14 -0.00 -0.01 0.00 0.12 0.04 0.10 -0.08 0.18 -0.09 0.00 0.01 0.00 0.21 0.01 -0.08 -0.07 -0.19 0.02 -0.01 -0.00 -0.00 0.01 -0.18 0.07 0.17 0.10 0.08 -0.00 0.01 0.01 0.02 0.01 0.03 0.52 0.05 -0.06 0.06 -0.12 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 0.20 -0.10 0.01 -0.01 0.16 -0.22 0.00 0.01 0.00 0.01 0.01 0.01 0.00 0.00 -0.00 -0.16 -0.09 0.12 0.02 -0.07 0.02 -0.02 0.15 -0.03 -0.01 -0.02 -0.01 -0.23 0.24 0.10 -0.01 -0.01 0.00 0.11 0.01 0.12 0.01 -0.00 -0.00 0.01 0.05 0.04 -0.03 -0.06 0.06 0.00 0.01 0.00 -0.06 -0.03 -0.03 -0.02 -0.05 -0.06 0.01 -0.01 0.00 0.06 0.07 0.01 -0.03 -0.04 -0.05 0.02 -0.01 0.01 -0.27 0.01 -0.09 -0.05 0.02 -0.02 0.01 -0.00 0.00 -0.05 0.18 -0.08 -0.18 -0.10 0.01 0.00 0.00 0.00 0.04 0.02 0.04 0.05 -0.02 -0.06 -0.00 -0.02 0.00 0.27 0.12 0.07 -0.15 0.33 -0.16 -0.00 -0.01 0.00 -0.13 -0.01 0.04 0.04 0.11 0.02 0.00 -0.00 -0.00 -0.02 0.07 0.04 -0.06 -0.03 -0.02 0.01 0.01 -0.00 -0.08 0.08 -0.08 -0.14 -0.02 0.01 0.06 -0.27 0.14 -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 0.01 0.01 0.16 -0.08 0.01 -0.02 0.07 -0.06 -0.00 -0.00 -0.00 0.00 -0.03 -0.01 -0.01 0.00 -0.01 0.24 0.09 0.33 -0.02 0.06 -0.01 0.06 -0.28 -0.18 -0.00 -0.01 -0.01 -0.14 0.12 0.08 0.01 -0.01 -0.00 0.04 -0.00 0.08 0.00 0.00 -0.00 -0.12 0.07 0.04 0.00 -0.03 0.01 -0.00 -0.01 -0.00 0.07 0.04 0.06 0.03 0.04 0.06 0.01 -0.01 0.00 -0.03 0.01 -0.00 -0.07 -0.04 -0.02 -0.03 0.01 -0.00 0.27 -0.03 0.05 0.23 0.01 0.06 -0.01 0.00 -0.00 0.04 -0.14 0.05 0.15 0.08 0.05 -0.02 0.01 -0.01 0.14 -0.02 0.12 0.06 0.05 -0.17 -0.01 -0.01 0.00 0.13 0.04 0.13 -0.08 0.23 -0.14 0.01 0.01 -0.00 0.10 0.00 0.03 -0.04 -0.11 0.02 0.00 0.00 0.00 0.01 0.03 -0.04 -0.03 -0.02 -0.02 -0.00 -0.02 0.00 0.05 -0.07 0.05 -0.20 -0.02 0.02 -0.09 0.31 -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 -0.04 0.07 -0.00 0.01 0.04 -0.08 -0.01 -0.00 -0.01 0.13 0.12 0.11 0.00 -0.00 0.00 -0.02 -0.01 -0.06 -0.07 -0.18 0.10 -0.01 0.02 0.04 0.00 -0.00 0.00 -0.02 0.02 0.00 0.00 -0.00 0.00 0.02 0.00 0.02 0.00 -0.00 0.00 -0.07 0.04 0.02 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.03 0.02 0.04 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.08 0.12 0.01 0.00 -0.05 -0.16 0.00 -0.00 -0.00 -0.06 0.01 -0.00 -0.03 -0.01 -0.01 -0.00 -0.00 -0.04 0.24 0.13 0.76 0.01 0.00 0.05 -0.00 -0.00 0.00 0.00 0.08 0.04 0.00 0.04 -0.02 -0.00 -0.00 -0.00 0.02 0.00 0.02 -0.01 0.04 -0.04 -0.00 -0.00 -0.01 0.06 0.01 -0.18 -0.01 -0.02 -0.01 -0.00 -0.00 0.01 0.08 -0.06 -0.31 0.02 0.01 0.03 0.00 0.00 -0.00 0.01 -0.02 0.01 0.11 0.02 -0.02 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.06 -0.09 0.00 -0.07 -0.10 0.33 0.00 0.00 0.00 0.01 -0.05 -0.00 0.00 -0.00 -0.00 -0.06 -0.05 0.12 0.01 0.01 -0.01 -0.00 0.08 -0.08 -0.00 0.01 -0.00 0.03 -0.04 -0.00 0.02 0.00 -0.02 -0.06 -0.03 0.06 0.01 -0.01 -0.02 -0.43 0.18 0.10 -0.07 0.04 -0.00 0.00 0.01 0.00 -0.10 -0.07 -0.12 -0.01 -0.02 -0.02 -0.00 -0.00 -0.00 -0.05 0.10 -0.00 -0.01 -0.04 -0.14 -0.01 -0.00 0.00 0.14 -0.02 0.02 0.04 0.01 0.01 0.00 -0.00 0.00 0.01 0.03 0.04 -0.05 -0.03 -0.10 0.00 0.01 -0.00 0.03 -0.24 -0.08 -0.06 0.09 0.07 0.00 0.01 -0.01 -0.08 -0.06 0.11 -0.01 -0.05 0.07 0.02 -0.00 -0.02 -0.14 -0.00 0.04 -0.06 0.06 0.54 0.00 0.00 0.00 0.01 0.02 -0.06 -0.02 -0.01 -0.03 -0.00 0.01 0.00 -0.02 0.02 -0.01 -0.04 -0.01 -0.01 0.06 -0.17 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 -0.08 0.12 -0.00 -0.05 -0.06 0.21 0.00 -0.01 -0.01 0.04 0.20 0.05 0.00 0.00 -0.00 -0.01 0.01 -0.14 -0.09 -0.11 0.09 -0.02 -0.01 0.14 0.00 -0.01 0.00 -0.03 0.04 0.01 0.01 0.00 -0.01 -0.03 -0.02 0.03 0.00 -0.01 -0.01 -0.11 0.05 0.03 -0.04 0.02 0.00 -0.00 -0.01 -0.01 0.16 0.12 0.19 0.01 0.03 0.03 0.00 -0.00 -0.01 0.04 0.08 -0.01 -0.01 -0.03 -0.09 0.01 -0.00 -0.00 -0.18 0.02 -0.04 -0.08 -0.01 -0.02 -0.00 0.00 -0.01 0.02 -0.05 0.02 0.10 0.06 0.16 0.00 -0.01 0.01 -0.05 0.24 0.06 0.02 0.01 -0.02 -0.00 -0.01 0.00 0.07 0.05 -0.09 0.01 0.04 -0.06 0.00 -0.01 -0.00 -0.06 0.02 -0.19 -0.02 0.07 0.27 0.01 -0.00 -0.02 -0.15 0.14 0.54 -0.11 -0.05 0.04 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.13 -0.02 0.02 -0.07 0.21 -0.06 -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 -0.01 -0.01 -0.10 0.12 -0.01 0.01 0.01 -0.04 0.01 0.00 0.01 0.05 0.06 0.05 -0.00 -0.01 0.00 0.09 0.05 -0.03 -0.09 0.08 0.05 0.03 -0.07 -0.09 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 0.00 0.00 0.13 -0.05 -0.03 0.01 -0.01 -0.00 0.01 0.01 0.01 -0.25 -0.19 -0.34 -0.03 -0.01 -0.04 0.01 -0.00 -0.00 0.01 0.06 -0.00 -0.04 -0.04 -0.08 -0.02 0.01 -0.00 0.39 -0.04 0.09 0.10 0.01 0.02 0.01 -0.01 0.00 0.03 0.06 0.10 -0.10 -0.06 -0.24 -0.00 -0.01 0.00 0.00 0.13 0.06 -0.00 0.09 -0.03 0.00 -0.00 -0.00 -0.01 -0.02 0.06 0.01 0.02 -0.03 -0.01 -0.01 0.02 0.10 0.02 -0.32 0.01 -0.02 -0.10 0.01 0.00 -0.01 -0.11 0.11 0.38 -0.08 -0.04 -0.01 -0.01 0.02 0.00 -0.03 0.01 -0.01 -0.07 -0.02 0.01 0.08 -0.26 0.08 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.14 -0.21 0.01 -0.01 -0.02 0.04 -0.00 -0.00 -0.01 0.05 0.24 0.07 -0.00 0.00 0.00 -0.04 -0.04 0.19 -0.06 -0.20 0.11 0.01 0.05 -0.13 -0.01 0.02 -0.01 0.04 -0.05 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.01 0.01 0.00 0.13 -0.06 -0.04 0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.06 0.04 0.07 -0.01 0.01 -0.00 0.00 0.00 -0.02 0.12 -0.15 -0.01 0.01 0.07 0.21 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.05 0.01 0.01 0.00 0.00 -0.02 0.09 0.08 0.29 -0.01 -0.00 0.08 -0.00 0.02 -0.01 0.06 -0.36 -0.10 -0.01 -0.10 0.05 0.00 0.01 -0.00 -0.10 -0.07 0.12 -0.01 -0.07 0.10 -0.01 0.01 -0.01 0.05 -0.03 0.32 -0.02 -0.10 -0.13 0.00 -0.01 -0.02 -0.10 0.04 0.40 -0.03 0.00 0.08 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.01 0.03 0.03 -0.09 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 0.01 0.01 -0.02 -0.05 0.01 -0.02 -0.03 0.09 0.00 -0.00 0.00 0.02 0.03 0.02 -0.01 0.01 0.01 0.19 0.13 -0.27 -0.04 0.05 0.01 0.04 -0.16 -0.08 -0.00 -0.01 0.02 -0.01 0.05 -0.04 0.00 0.00 -0.00 -0.02 -0.01 0.03 0.00 -0.00 -0.00 -0.04 0.02 0.01 -0.02 0.01 0.00 0.01 0.00 0.01 -0.10 -0.08 -0.15 -0.01 0.01 -0.01 -0.00 -0.00 -0.01 0.09 -0.07 -0.00 0.09 0.08 0.14 -0.01 0.01 -0.00 0.10 -0.01 0.02 0.06 -0.00 0.02 0.01 -0.00 -0.01 0.04 0.09 0.15 -0.09 -0.05 -0.06 0.00 -0.01 0.00 -0.04 0.18 0.03 0.09 -0.25 -0.06 -0.01 -0.01 0.02 0.20 0.19 -0.44 0.04 0.02 -0.07 0.00 0.00 -0.03 -0.16 -0.04 0.46 -0.00 0.07 0.13 -0.01 -0.00 -0.00 0.01 -0.06 -0.01 0.05 0.03 0.03 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.07 -0.03 0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 0.04 0.02 0.03 0.00 0.00 -0.01 -0.09 -0.05 0.09 -0.20 0.46 -0.02 -0.04 0.04 0.20 0.00 0.01 -0.01 -0.02 -0.01 0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.02 -0.01 0.02 -0.20 -0.18 -0.33 -0.02 0.04 0.02 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.02 0.02 -0.01 0.00 -0.29 0.03 -0.07 -0.11 0.01 -0.03 0.01 -0.01 0.00 0.05 0.06 0.15 -0.10 -0.07 -0.18 0.00 0.01 -0.00 0.01 -0.09 -0.03 -0.01 -0.01 0.02 0.00 0.00 -0.00 -0.03 -0.03 0.08 -0.01 -0.00 0.02 -0.00 0.00 -0.00 0.01 -0.00 0.04 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.01 0.06 -0.00 -0.00 -0.00 0.02 -0.02 0.01 -0.04 0.01 -0.05 -0.00 -0.00 0.00 -0.20 0.49 -0.06 -0.03 -0.04 0.11 -0.20 -0.11 -0.14 0.23 -0.01 -0.18 -0.06 0.28 0.02 0.05 -0.14 0.29 -0.02 0.06 -0.00 0.00 -0.05 0.08 -0.00 0.02 -0.00 0.16 -0.32 0.05 0.00 0.00 -0.01 0.01 -0.01 0.11 -0.00 -0.09 0.04 -0.01 -0.06 0.12 0.00 -0.00 -0.01 -0.01 -0.01 0.02 0.01 0.00 0.00 -0.05 -0.01 -0.04 -0.00 0.00 -0.00 0.09 -0.03 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.05 -0.03 -0.01 0.05 -0.03 0.01 0.00 0.00 -0.00 0.11 -0.04 0.01 -0.41 -0.15 0.01 0.00 0.00 -0.01 -0.02 0.02 0.03 -0.04 -0.04 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.02 0.01 0.02 -0.01 -0.00 -0.01 -0.01 0.10 0.04 0.03 -0.08 -0.05 0.00 -0.00 -0.00 -0.00 -0.02 0.08 -0.01 0.04 -0.04 -0.00 0.00 -0.00 -0.02 -0.01 0.07 -0.02 0.00 0.08 0.00 0.01 0.00 -0.01 0.03 0.01 -0.01 -0.02 -0.13 0.01 0.00 -0.01 0.02 -0.08 -0.01 0.16 -0.13 0.34 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.04 0.24 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 0.01 -0.03 0.00 -0.00 -0.00 -0.04 -0.00 -0.05 0.35 0.04 -0.10 0.01 -0.08 -0.18 0.66 0.01 -0.00 -0.02 -0.07 0.00 0.13 -0.00 -0.00 -0.00 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.05 -0.02 0.00 0.07 0.05 0.07 0.00 0.01 -0.02 0.25 0.01 0.12 -0.19 -0.05 -0.06 -0.00 0.00 -0.00 0.00 0.02 0.02 -0.01 -0.00 0.03 0.00 -0.00 -0.01 -0.09 0.20 -0.01 0.00 -0.07 0.02 0.01 -0.00 -0.01 -0.04 -0.06 0.15 -0.02 0.01 0.01 0.00 0.00 -0.01 -0.07 -0.02 0.26 0.00 0.02 0.01 -0.00 -0.00 -0.00 0.01 -0.03 -0.01 0.03 0.02 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.01 -0.04 0.00 -0.02 0.04 -0.12 0.01 0.01 -0.00 0.01 -0.02 -0.01 -0.02 0.02 -0.00 -0.01 -0.00 0.02 0.00 0.01 -0.01 0.03 -0.02 0.04 -0.00 0.00 0.03 -0.04 0.00 -0.04 0.01 -0.39 0.73 -0.13 0.00 -0.00 -0.00 0.00 -0.00 0.04 0.04 0.20 -0.10 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 0.02 0.00 -0.00 0.00 -0.10 0.04 0.02 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.10 0.05 0.01 -0.07 0.10 0.02 0.00 -0.00 0.00 -0.09 0.02 -0.00 0.16 0.05 -0.03 -0.00 -0.00 -0.00 0.06 -0.01 0.01 0.01 0.01 0.00 0.00 -0.00 0.01 -0.02 0.01 -0.06 -0.05 -0.03 -0.08 -0.00 -0.00 -0.00 -0.01 0.04 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.03 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.03 0.00 -0.01 0.02 0.04 -0.05 0.01 -0.02 -0.00 0.05 0.01 -0.16 -0.08 -0.01 0.27 -0.00 0.00 -0.00 -0.01 0.05 -0.00 -0.06 -0.02 0.01 0.03 -0.07 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.21 -0.25 0.02 0.02 -0.02 -0.01 0.00 -0.00 0.00 -0.03 0.05 -0.01 -0.01 0.01 -0.01 0.04 0.06 -0.21 0.02 -0.02 -0.00 -0.07 -0.09 0.46 -0.00 0.00 -0.00 -0.05 0.02 0.07 0.00 0.00 -0.00 -0.04 -0.01 0.02 0.00 -0.00 0.00 -0.07 0.02 0.01 0.02 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.09 -0.02 -0.01 -0.11 -0.06 -0.04 0.00 0.00 -0.01 0.13 0.01 0.07 -0.13 -0.03 -0.04 -0.00 0.00 0.00 -0.01 -0.02 -0.02 0.02 0.01 -0.01 -0.01 0.01 0.01 0.20 -0.45 0.01 -0.02 0.17 -0.05 -0.01 0.01 0.02 0.15 0.16 -0.37 0.03 0.01 -0.03 0.00 0.00 0.01 0.09 0.02 -0.18 0.00 -0.06 -0.11 0.01 0.00 -0.00 -0.01 0.04 0.02 -0.04 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.04 -0.00 0.02 0.02 -0.06 0.01 0.01 0.00 0.01 -0.02 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 0.03 0.00 -0.01 0.00 -0.02 0.05 -0.04 0.00 0.01 -0.00 0.10 -0.17 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.08 0.04 0.00 0.01 -0.02 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.06 0.01 0.06 0.01 -0.01 0.01 -0.41 0.14 0.09 0.06 0.01 -0.03 -0.00 0.00 0.00 -0.04 -0.03 -0.03 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 -0.22 0.01 -0.03 0.60 0.23 0.00 0.00 -0.00 0.00 -0.02 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.02 -0.00 0.00 0.04 -0.00 0.00 0.00 0.01 -0.03 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.01 -0.03 0.04 -0.00 -0.00 0.02 -0.05 0.01 -0.10 0.10 0.08 -0.36 -0.02 -0.00 -0.01 -0.02 -0.12 0.17 0.15 0.08 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.17 -0.02 -0.05 -0.02 0.03 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.02 0.07 -0.09 0.00 -0.01 0.05 -0.07 -0.00 0.00 -0.00 0.02 -0.04 0.00 -0.00 0.00 -0.00 0.02 0.02 -0.04 -0.01 0.01 0.00 -0.01 -0.03 0.07 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.00 0.01 0.07 0.03 -0.00 -0.01 0.02 -0.01 0.48 -0.15 -0.10 -0.08 -0.04 0.05 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.13 0.18 0.02 0.47 0.16 -0.06 -0.00 -0.00 -0.00 0.04 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.02 0.00 0.04 0.02 -0.00 -0.00 0.01 0.00 0.05 -0.13 -0.01 0.01 -0.04 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.00 -0.02 0.03 -0.00 -0.00 -0.01 0.09 0.01 -0.18 -0.11 -0.07 0.46 -0.01 -0.00 -0.00 0.03 -0.10 -0.06 0.10 0.06 0.03 0.00 -0.00 -0.00 -0.02 0.05 -0.01 -0.24 -0.03 -0.06 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.04 0.05 -0.00 -0.00 -0.00 0.02 -0.00 -0.02 -0.01 0.16 -0.16 0.07 0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.31 0.55 -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 -0.02 0.01 0.00 0.01 0.00 -0.00 -0.02 -0.00 -0.01 0.29 0.24 0.43 0.04 -0.05 -0.00 -0.00 -0.00 -0.00 0.03 0.01 0.00 0.02 0.01 0.01 -0.00 -0.00 -0.00 0.12 -0.02 0.01 0.02 0.04 -0.01 0.01 -0.02 0.01 0.02 0.10 0.08 -0.12 -0.08 -0.18 -0.00 -0.00 -0.00 0.01 -0.02 0.00 -0.01 0.05 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.04 0.01 -0.00 -0.04 -0.00 0.00 -0.00 -0.01 -0.02 0.04 0.03 0.01 -0.05 -0.01 0.00 0.00 -0.05 0.24 -0.02 0.01 -0.01 0.04 0.08 -0.19 0.02 0.01 -0.02 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.34 0.47 -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.02 0.02 -0.01 0.01 -0.02 -0.01 -0.13 -0.11 0.30 0.04 -0.07 0.00 0.01 0.14 -0.13 0.01 -0.02 0.01 -0.01 0.04 -0.03 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.03 -0.06 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.03 0.01 0.00 0.05 0.03 0.03 0.00 -0.00 0.00 -0.04 -0.01 -0.03 0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 0.04 -0.01 0.00 -0.01 0.12 -0.23 0.02 -0.09 0.39 -0.01 -0.01 0.00 0.01 0.14 0.16 -0.37 0.04 -0.03 -0.02 0.01 0.00 -0.00 0.04 -0.01 0.15 -0.04 -0.11 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.02 0.01 0.01 0.01 0.00 -0.00 0.00 -0.02 0.05 -0.02 -0.09 -0.02 0.06 -0.02 0.05 -0.01 0.07 -0.13 -0.05 0.01 0.01 0.01 -0.03 0.00 0.02 -0.02 0.06 0.00 -0.00 -0.01 -0.03 0.12 -0.20 0.00 -0.02 0.00 0.05 -0.00 0.00 0.00 -0.02 0.02 -0.01 -0.00 0.00 0.01 0.03 0.04 -0.23 0.06 -0.12 0.00 -0.01 0.01 0.04 -0.00 0.01 -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 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.05 -0.05 -0.08 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.14 0.07 0.01 0.06 0.03 0.03 -0.00 -0.01 0.00 0.12 -0.03 -0.01 0.00 0.09 -0.02 -0.00 -0.00 -0.00 -0.01 0.03 -0.00 0.02 0.01 0.16 0.00 -0.02 -0.01 -0.04 0.21 0.05 -0.11 0.39 0.03 0.00 -0.00 -0.01 -0.05 -0.06 0.15 -0.02 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.17 -0.01 -0.06 -0.05 -0.00 -0.00 0.00 0.02 -0.04 -0.07 0.04 0.02 0.01 0.00 -0.02 0.01 -0.18 0.52 -0.12 -0.04 -0.04 0.33 -0.03 0.12 -0.05 0.21 -0.04 -0.11 -0.03 -0.01 -0.01 -0.05 0.00 0.04 -0.02 0.04 0.01 -0.02 -0.01 0.01 -0.11 0.15 -0.01 0.03 0.01 -0.09 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.03 0.23 0.02 -0.05 0.00 0.02 -0.05 -0.03 0.00 -0.01 0.00 -0.01 0.02 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.03 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.29 -0.09 -0.03 -0.06 -0.05 -0.08 -0.00 -0.00 0.00 0.05 -0.02 -0.01 0.00 0.04 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.03 0.02 0.01 0.06 -0.00 0.03 0.01 0.01 -0.22 -0.08 0.17 -0.64 -0.03 -0.00 0.00 0.00 0.06 0.05 -0.10 -0.01 -0.02 0.04 -0.00 0.00 0.00 -0.02 0.02 -0.23 0.02 0.11 0.11 0.00 -0.00 0.00 -0.01 0.01 0.04 -0.00 -0.01 -0.03 0.00 -0.01 0.00 -0.07 0.22 -0.05 0.21 0.02 0.15 -0.01 0.05 -0.03 -0.07 0.02 0.02 0.01 0.00 0.00 0.02 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.04 0.07 -0.00 -0.06 -0.05 0.21 -0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.11 0.04 -0.05 -0.01 0.01 -0.03 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.02 0.00 -0.01 0.00 -0.13 0.04 0.03 0.03 0.02 -0.02 0.00 -0.00 0.00 -0.02 -0.02 -0.04 0.00 0.01 0.01 -0.02 -0.01 -0.00 0.62 0.22 0.07 -0.03 -0.00 0.04 -0.00 -0.01 -0.00 0.07 -0.02 -0.00 0.02 0.05 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.01 0.01 0.01 0.09 -0.00 0.02 0.01 0.01 -0.13 -0.04 0.09 -0.33 -0.02 -0.00 0.00 0.00 0.01 0.02 -0.07 0.01 -0.01 0.00 -0.02 -0.00 0.02 0.01 0.02 -0.25 0.06 0.08 -0.22 -0.00 0.00 0.00 0.03 -0.01 -0.13 -0.01 -0.00 0.01 0.00 -0.01 0.01 -0.12 0.36 -0.08 -0.00 -0.00 -0.04 -0.02 0.07 -0.03 0.25 0.09 -0.02 -0.06 -0.03 -0.03 -0.05 -0.00 0.03 -0.01 -0.01 0.00 -0.01 0.00 0.03 0.03 -0.05 0.00 -0.05 -0.04 0.19 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.08 -0.02 0.06 -0.01 -0.01 0.03 0.01 -0.00 0.00 -0.00 0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.08 0.02 0.01 0.03 0.02 -0.02 -0.00 -0.00 0.00 0.03 0.02 0.02 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.58 0.19 0.06 -0.10 -0.02 0.09 0.00 0.01 0.00 -0.09 0.02 0.00 -0.02 -0.07 0.01 0.00 0.00 0.00 0.01 -0.02 0.02 -0.02 -0.01 -0.10 0.00 -0.01 -0.00 0.02 0.05 0.04 -0.07 0.25 0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.04 -0.02 0.01 0.02 -0.01 -0.00 0.01 0.02 0.00 -0.01 0.02 -0.03 -0.20 0.00 -0.00 0.00 0.02 0.01 -0.10 -0.02 -0.01 -0.04 -0.00 0.01 -0.01 0.15 -0.44 0.10 -0.24 -0.03 -0.10 0.02 -0.08 0.04 0.09 0.23 0.17 -0.05 -0.04 -0.04 -0.00 -0.01 -0.01 0.01 -0.07 -0.01 -0.00 -0.02 -0.01 0.04 -0.02 0.00 0.02 0.01 -0.08 -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 -0.07 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.03 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.04 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.02 -0.06 -0.01 0.02 0.01 0.01 0.01 0.01 -0.24 -0.15 -0.03 -0.10 -0.04 -0.01 -0.00 -0.01 -0.01 0.12 -0.02 0.01 0.06 0.09 -0.00 0.00 -0.01 -0.00 -0.01 0.04 -0.00 0.02 0.01 0.15 -0.00 -0.01 -0.01 0.01 0.07 0.03 -0.04 0.18 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.03 -0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.01 0.12 -0.02 -0.04 0.06 0.01 -0.00 0.00 -0.03 0.07 0.07 -0.05 -0.03 -0.06 0.00 -0.02 0.01 -0.22 0.66 -0.15 0.15 0.02 -0.33 -0.02 0.10 -0.05 0.17 -0.32 0.60 -0.04 -0.00 -0.05 0.01 0.01 -0.04 -0.02 0.07 -0.02 -0.06 0.14 -0.29 -0.02 -0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.01 0.02 -0.00 0.01 -0.03 -0.00 0.00 0.00 0.00 -0.01 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.07 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.03 0.01 -0.00 -0.03 -0.03 -0.01 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 -0.06 -0.01 0.01 0.00 -0.01 -0.05 -0.03 0.14 -0.37 -0.03 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.10 0.02 0.07 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.02 0.01 0.00 -0.02 0.01 0.01 -0.01 0.07 -0.33 0.09 -0.04 0.12 0.20 -0.04 -0.03 0.08 -0.02 0.15 0.02 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.00 -0.04 -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 0.00 0.00 0.00 -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 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.03 0.08 -0.00 0.10 0.04 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.05 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.04 -0.04 0.05 0.02 -0.03 -0.00 0.00 -0.00 0.04 -0.11 0.02 0.01 -0.07 0.96 -0.01 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.06 -0.08 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.11 0.02 0.06 -0.03 -0.06 -0.01 0.34 0.49 0.46 0.12 0.49 -0.36 -0.00 -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 0.03 -0.00 0.03 0.01 -0.01 -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 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.09 -0.01 0.02 0.02 0.08 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.01 -0.00 0.00 0.07 0.03 0.05 -0.00 -0.00 -0.00 0.02 0.01 0.00 0.07 0.01 -0.06 -0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.01 -0.01 0.00 0.00 0.00 -0.04 -0.04 -0.04 -0.01 -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 0.01 0.00 0.01 -0.03 -0.06 -0.01 -0.06 0.01 -0.02 -0.05 0.01 -0.14 0.62 -0.06 0.52 0.25 -0.20 -0.00 -0.00 -0.01 0.07 0.01 0.07 -0.05 -0.01 0.08 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.02 -0.02 -0.00 0.25 -0.02 0.07 0.08 0.25 0.03 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.02 0.01 0.00 -0.00 0.00 0.01 -0.05 -0.05 -0.05 -0.00 -0.00 0.00 0.04 0.01 -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 0.00 0.00 -0.00 -0.00 -0.05 -0.02 0.00 0.42 0.20 0.34 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.45 0.12 -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 0.01 0.01 0.01 0.00 0.01 -0.00 -0.03 0.01 0.02 0.26 0.12 -0.28 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.03 0.00 0.03 -0.00 -0.00 0.00 0.00 0.00 -0.06 -0.02 -0.04 -0.02 0.02 0.00 -0.00 0.00 -0.02 -0.00 -0.01 0.01 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 0.00 -0.01 -0.01 -0.05 -0.01 -0.01 -0.01 -0.00 -0.03 0.10 0.01 0.09 0.05 0.02 -0.00 -0.00 -0.00 0.02 0.01 0.03 -0.00 0.00 -0.01 -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 -0.02 -0.01 -0.00 -0.13 0.21 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.03 -0.01 -0.02 -0.00 0.21 0.10 0.04 -0.03 -0.01 0.03 -0.04 0.23 0.03 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.02 -0.01 0.00 -0.21 -0.06 -0.08 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.02 0.01 -0.03 0.02 -0.03 -0.01 -0.00 0.00 0.00 0.01 -0.02 0.00 0.02 -0.00 -0.02 0.00 -0.04 -0.02 -0.10 0.21 0.43 0.07 0.44 -0.07 0.00 0.00 -0.00 0.01 -0.05 0.00 -0.04 -0.02 0.02 -0.00 0.00 -0.02 0.12 0.02 0.11 -0.08 -0.04 0.14 0.01 -0.00 0.00 -0.07 -0.03 -0.05 -0.04 0.06 -0.00 -0.02 -0.01 -0.00 0.22 -0.02 0.05 0.06 0.20 0.03 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.03 0.18 0.07 0.20 0.00 0.00 -0.00 -0.14 0.00 0.23 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.07 0.04 0.01 0.15 -0.25 0.00 -0.02 -0.01 -0.00 0.21 0.06 0.16 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.19 0.06 -0.16 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.02 0.02 -0.06 -0.02 0.01 -0.01 0.25 0.07 0.10 0.00 0.00 0.00 -0.02 -0.03 -0.02 -0.00 -0.02 0.02 0.04 -0.01 -0.02 -0.33 -0.15 0.34 -0.27 0.31 0.02 0.00 -0.00 -0.00 -0.02 0.03 -0.00 -0.02 0.00 0.03 0.00 -0.02 -0.01 -0.05 0.10 0.22 0.03 0.22 -0.04 -0.00 -0.01 0.00 -0.02 0.09 -0.02 0.08 0.04 -0.03 0.00 -0.00 0.01 -0.08 -0.01 -0.08 0.05 0.02 -0.10 -0.01 0.00 -0.00 0.08 0.03 0.06 0.06 -0.07 -0.00 0.01 0.01 0.00 -0.12 0.01 -0.03 -0.03 -0.11 -0.02 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.02 0.11 0.05 0.12 0.01 0.00 -0.00 -0.09 0.00 0.14 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.08 -0.05 -0.01 -0.23 0.39 -0.00 -0.02 -0.01 -0.00 0.18 0.05 0.14 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.17 0.05 -0.15 0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.02 -0.02 0.07 0.04 -0.02 0.01 -0.39 -0.11 -0.15 -0.00 -0.01 -0.00 0.05 0.05 0.05 0.01 0.05 -0.04 0.03 -0.01 -0.02 -0.27 -0.12 0.28 -0.22 0.26 0.02 -0.00 0.00 0.00 0.03 -0.05 0.00 0.03 -0.01 -0.05 -0.00 0.02 0.01 0.04 -0.08 -0.16 -0.03 -0.17 0.03 0.00 0.01 -0.00 0.02 -0.10 -0.00 -0.08 -0.04 0.03 -0.00 0.00 -0.00 0.03 0.00 0.03 -0.02 -0.01 0.04 0.01 -0.00 0.01 -0.13 -0.05 -0.10 -0.09 0.11 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.02 0.08 -0.00 0.07 0.04 0.01 0.00 0.00 0.01 -0.07 -0.02 -0.08 -0.01 -0.00 0.00 0.05 -0.00 -0.09 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.09 -0.06 -0.02 0.15 -0.25 0.00 -0.01 -0.00 -0.00 0.08 0.03 0.06 -0.01 -0.02 -0.00 0.17 0.08 0.03 0.08 0.03 -0.06 -0.04 0.19 0.02 0.01 0.00 -0.00 -0.04 -0.01 0.09 -0.02 0.01 -0.01 0.25 0.07 0.09 0.00 0.01 0.00 -0.06 -0.06 -0.06 -0.02 -0.06 0.05 0.01 -0.00 -0.00 -0.07 -0.03 0.07 -0.05 0.07 0.01 0.00 -0.00 -0.00 -0.02 0.03 -0.00 -0.02 0.00 0.04 0.00 0.01 0.01 0.02 -0.07 -0.14 -0.03 -0.14 0.02 0.01 0.02 -0.00 0.05 -0.26 0.01 -0.20 -0.10 0.08 -0.01 0.00 -0.03 0.22 0.04 0.21 -0.14 -0.07 0.27 -0.01 0.00 -0.00 0.08 0.03 0.05 0.06 -0.06 -0.02 -0.03 -0.02 -0.01 0.36 -0.03 0.07 0.10 0.33 0.05 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.09 -0.03 -0.10 0.01 0.00 -0.00 0.07 -0.01 -0.11 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.55 0.35 0.10 -0.05 0.08 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.01 0.00 -0.19 -0.08 -0.02 0.01 0.00 -0.01 0.03 -0.21 0.01 -0.04 -0.03 0.03 0.20 0.10 -0.53 0.01 -0.00 0.00 -0.08 -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 -0.02 -0.01 0.02 -0.01 0.02 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 0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.02 -0.09 0.00 -0.07 -0.03 0.03 -0.00 0.00 -0.01 0.08 0.01 0.07 -0.05 -0.01 0.10 -0.01 0.00 -0.00 0.10 0.04 0.07 0.08 -0.09 -0.01 -0.01 -0.01 -0.00 0.16 -0.01 0.03 0.04 0.14 0.02 -0.00 -0.00 -0.00 -0.01 0.03 -0.00 0.02 0.01 0.01 0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.00 0.00 -0.00 0.02 -0.00 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.18 0.11 0.03 -0.01 0.02 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.02 -0.04 -0.01 0.46 0.21 0.10 -0.02 -0.00 0.01 -0.10 0.49 0.08 -0.01 -0.01 0.01 0.07 0.03 -0.17 0.00 -0.00 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.02 0.02 0.02 0.01 0.02 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.04 0.03 0.06 -0.00 0.06 -0.01 -0.00 -0.00 0.00 -0.01 0.05 -0.00 0.03 0.02 -0.02 -0.00 -0.00 0.01 -0.05 0.01 -0.04 0.04 -0.02 -0.07 -0.00 0.00 -0.00 0.03 0.01 0.02 0.02 -0.03 0.00 0.02 0.01 0.00 -0.20 0.02 -0.04 -0.06 -0.18 -0.03 -0.00 -0.01 -0.00 -0.02 0.13 -0.02 0.11 0.05 0.02 0.00 0.01 0.03 -0.21 -0.15 -0.24 -0.01 -0.00 0.00 0.18 -0.01 -0.29 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.14 -0.09 -0.03 0.02 -0.04 0.00 0.00 0.00 -0.00 -0.03 -0.01 -0.02 0.01 0.02 0.01 -0.27 -0.12 -0.06 -0.03 -0.00 0.02 0.06 -0.29 -0.06 0.01 0.01 -0.01 -0.05 -0.02 0.13 -0.00 0.00 -0.00 0.04 0.01 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.02 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 0.00 -0.03 -0.02 -0.08 0.16 0.33 0.06 0.33 -0.05 0.00 0.00 -0.00 0.01 -0.03 0.00 -0.03 -0.01 0.01 0.00 0.00 -0.00 0.03 -0.00 0.03 -0.02 0.01 0.04 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.00 0.01 0.01 0.04 0.01 -0.01 -0.02 -0.00 -0.05 0.30 -0.04 0.26 0.13 0.06 0.00 0.01 0.04 -0.24 -0.19 -0.26 -0.01 0.00 -0.01 0.21 -0.01 -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 -0.00 -0.01 -0.00 0.02 -0.03 0.00 0.01 0.00 -0.00 -0.08 -0.04 -0.06 -0.00 -0.00 -0.00 0.05 0.02 0.01 -0.08 -0.02 0.07 -0.01 0.05 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.02 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.02 -0.03 0.00 -0.03 -0.02 -0.04 -0.00 0.01 0.01 0.04 -0.08 -0.16 -0.03 -0.16 0.02 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.09 0.04 0.06 0.07 -0.08 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.02 -0.05 -0.00 -0.11 0.60 -0.07 0.51 0.25 0.12 -0.00 -0.01 -0.02 0.17 0.13 0.19 -0.00 0.00 -0.05 -0.15 0.01 0.23 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.12 -0.09 -0.03 -0.11 0.18 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.07 0.00 0.14 0.02 -0.01 0.00 -0.19 -0.05 -0.07 -0.00 -0.00 -0.00 0.02 0.02 0.02 0.01 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.04 0.00 0.04 0.00 -0.04 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.02 -0.06 0.02 -0.02 0.53 0.22 0.36 0.39 -0.47 -0.01 0.00 0.00 0.00 -0.04 0.00 -0.01 -0.01 -0.04 -0.01 0.00 0.01 0.00 0.02 -0.10 0.01 -0.08 -0.04 -0.02 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.02 -0.03 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.05 -0.02 -0.01 -0.01 -0.00 0.01 0.01 -0.05 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.03 0.01 0.01 -0.00 -0.00 0.00 0.02 0.01 0.02 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 0.03 -0.07 0.00 0.01 -0.01 -0.06 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.02 0.09 -0.00 0.07 0.03 -0.03 -0.00 0.01 -0.05 0.38 0.08 0.37 -0.25 -0.20 0.51 0.00 -0.00 0.00 -0.02 -0.01 -0.03 -0.01 0.04 -0.02 0.03 0.02 0.01 -0.40 0.02 -0.09 -0.11 -0.34 -0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.02 0.04 -0.00 0.00 0.01 -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 -0.05 0.08 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.07 -0.02 -0.03 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.04 -0.03 -0.31 0.66 -0.01 -0.15 0.12 0.62 -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 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.04 0.01 0.04 -0.02 -0.03 0.05 -0.00 0.00 -0.00 0.02 0.01 0.01 0.02 -0.02 0.00 0.01 -0.00 0.00 -0.05 0.00 -0.05 -0.01 -0.04 0.02 -0.00 -0.00 -0.00 -0.01 0.03 0.00 0.03 0.01 0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 0.07 0.02 -0.06 -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 0.02 0.01 0.00 -0.16 -0.04 0.25 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.20 -0.10 -0.30 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.03 -0.05 0.01 -0.42 0.74 -0.11 -0.02 -0.05 0.04 -0.00 0.00 0.00 0.01 0.00 -0.05 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.07 -0.01 0.02 0.02 -0.04 0.00 -0.00 -0.00 -0.00 -0.01 -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 -0.05 -0.00 -0.04 0.02 -0.01 0.00 0.00 0.00 -0.04 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.07 0.03 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.09 -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 -0.00 -0.02 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.01 0.01 0.01 0.14 -0.16 0.01 0.01 0.02 0.00 -0.00 0.00 -0.04 0.08 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.05 -0.07 -0.04 0.76 -0.02 0.06 -0.04 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 0.00 0.01 0.00 0.01 0.05 0.02 -0.04 -0.21 -0.05 -0.11 0.00 -0.00 -0.00 -0.02 0.04 0.01 -0.00 -0.00 -0.00 -0.02 -0.02 -0.00 0.00 0.38 0.03 0.30 -0.12 0.05 -0.01 -0.00 -0.00 0.10 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.01 0.05 -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 -0.09 -0.03 0.67 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.11 -0.20 -0.02 -0.00 -0.00 -0.00 -0.23 -0.03 -0.04 0.01 0.00 -0.04 -0.05 -0.04 -0.05 -0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 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 -0.11 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.08 0.03 -0.08 -0.15 -0.03 -0.07 0.02 -0.03 -0.01 -0.26 0.53 0.11 -0.01 -0.04 -0.02 0.00 -0.00 0.00 0.00 0.01 0.00 -0.03 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 -0.03 -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 -0.02 -0.01 0.12 -0.05 -0.04 -0.02 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.01 -0.00 0.00 -0.04 0.08 0.00 -0.00 -0.00 -0.00 -0.06 -0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.03 0.00 -0.00 -0.01 0.01 0.02 0.17 -0.20 0.01 0.01 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.24 -0.01 0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.05 0.03 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.04 -0.01 0.01 -0.01 0.02 0.00 -0.04 -0.01 -0.02 -0.06 -0.02 0.03 0.65 0.15 0.36 0.01 -0.01 -0.00 -0.08 0.16 0.03 -0.00 -0.01 -0.01 -0.01 0.02 0.00 -0.01 -0.25 -0.03 0.13 -0.05 0.03 -0.00 -0.00 -0.00 0.03 0.01 0.01 -0.00 0.00 -0.00 -0.02 -0.00 0.02 0.26 0.03 -0.24 -0.00 0.01 0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.05 0.06 0.04 0.02 0.00 0.00 0.01 0.03 0.01 -0.04 0.00 -0.00 0.00 -0.01 0.02 0.00 -0.08 -0.04 -0.11 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.05 -0.00 0.00 0.03 -0.03 -0.06 -0.51 0.61 -0.03 -0.02 -0.08 -0.00 0.00 -0.00 0.03 -0.06 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.04 -0.02 0.39 -0.01 0.03 -0.02 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.17 -0.03 0.06 0.02 -0.03 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.13 0.03 0.07 0.00 -0.00 -0.00 -0.01 0.03 0.01 -0.00 -0.00 -0.00 0.02 -0.01 0.00 0.01 0.02 0.00 -0.27 0.10 -0.05 -0.01 -0.00 -0.00 0.09 0.02 0.02 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.06 0.01 -0.06 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 -0.15 0.05 0.03 0.02 -0.02 -0.01 -0.03 0.04 0.01 -0.07 -0.00 -0.01 -0.00 -0.06 0.11 0.01 0.34 0.17 0.50 0.11 0.01 0.02 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.02 -0.16 0.19 -0.01 -0.01 -0.02 0.01 -0.02 0.00 -0.16 0.29 -0.04 -0.01 -0.02 0.02 -0.00 0.00 0.01 0.01 0.01 -0.10 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.31 0.05 -0.10 -0.07 0.12 0.00 -0.01 -0.00 0.00 0.05 0.02 -0.06 0.07 0.01 0.04 0.01 -0.01 -0.00 -0.11 0.22 0.05 -0.01 -0.02 -0.01 -0.01 -0.02 -0.00 0.00 0.30 0.03 0.10 -0.04 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.16 0.02 -0.15 0.00 -0.01 -0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.05 0.01 -0.42 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.03 -0.01 0.06 -0.02 -0.01 -0.01 -0.10 0.17 0.02 -0.15 -0.08 -0.23 0.37 0.05 0.06 -0.00 -0.00 0.03 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.04 0.01 -0.00 -0.00 0.00 0.00 0.04 -0.05 0.00 0.00 0.00 -0.01 0.01 -0.00 0.08 -0.13 0.02 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.04 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.02 0.08 -0.04 -0.01 0.00 0.03 0.00 0.00 -0.00 -0.09 -0.01 0.03 0.03 -0.05 0.00 -0.01 -0.00 0.00 0.06 0.02 -0.06 0.03 0.00 0.02 0.02 -0.03 -0.01 -0.30 0.59 0.12 -0.02 -0.05 -0.03 0.00 -0.01 0.00 0.00 0.06 0.01 -0.06 0.02 -0.01 0.00 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.12 -0.01 0.11 -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 -0.01 0.02 0.01 0.01 0.03 0.01 -0.01 -0.24 -0.06 0.37 0.01 -0.00 0.00 -0.02 0.04 0.00 -0.17 -0.09 -0.26 -0.11 -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 0.00 -0.00 -0.00 -0.04 0.05 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.13 -0.23 0.03 0.01 0.02 -0.02 -0.00 0.00 0.01 0.01 0.01 -0.17 0.01 -0.03 0.01 0.00 0.01 -0.00 -0.03 -0.13 0.06 0.00 0.00 -0.02 -0.01 -0.00 0.00 0.11 0.02 -0.04 -0.02 0.04 0.00 -0.00 0.00 0.00 0.05 0.02 -0.05 -0.04 -0.02 -0.02 -0.00 0.00 0.00 0.03 -0.05 -0.01 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.01 0.41 0.04 0.13 -0.06 0.02 0.01 0.00 0.00 -0.13 -0.02 -0.03 0.02 -0.03 0.01 -0.02 -0.00 0.03 0.40 0.05 -0.37 0.00 -0.02 -0.00 -0.08 -0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 0.16 0.01 0.01 0.00 0.02 0.00 -0.03 -0.31 -0.08 0.45 0.00 -0.00 -0.00 -0.04 0.07 0.00 0.06 0.03 0.07 0.02 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 0.01 -0.01 -0.02 -0.13 0.15 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.06 -0.11 0.02 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.03 0.11 -0.05 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.18 0.03 -0.06 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.04 -0.02 0.03 0.27 0.06 0.15 -0.00 0.00 0.00 0.04 -0.07 -0.01 0.00 0.00 0.00 -0.02 0.00 -0.00 -0.01 0.03 0.00 0.26 -0.09 0.05 0.01 0.00 0.00 -0.14 -0.03 -0.03 0.02 -0.03 0.01 0.02 0.00 -0.02 -0.42 -0.05 0.39 -0.00 0.03 0.00 0.03 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 -0.12 -0.08 -0.05 -0.04 0.01 -0.00 -0.05 -0.32 -0.08 0.45 -0.01 0.01 -0.00 0.06 -0.13 -0.01 0.22 0.11 0.30 0.06 0.01 0.01 -0.00 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.01 0.06 -0.08 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.04 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.01 0.26 -0.01 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.12 -0.02 0.04 -0.03 0.06 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.02 -0.22 -0.04 -0.12 0.00 -0.00 -0.00 -0.04 0.08 0.02 -0.00 -0.00 -0.00 0.02 0.02 0.01 0.00 -0.38 -0.03 -0.30 0.12 -0.05 0.01 0.00 0.00 -0.12 -0.02 -0.03 0.02 -0.04 0.01 -0.01 0.00 0.01 0.15 0.02 -0.14 0.00 -0.01 -0.00 -0.03 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 -0.15 0.07 0.04 0.03 0.00 0.00 0.01 0.03 0.01 -0.04 -0.01 0.01 0.00 0.11 -0.22 -0.02 -0.06 -0.03 -0.09 0.05 0.01 0.01 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 0.01 -0.01 -0.02 -0.19 0.23 -0.00 0.00 -0.02 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.11 0.02 -0.03 -0.01 0.02 0.00 0.01 0.00 0.00 -0.03 -0.02 0.04 -0.19 -0.04 -0.11 0.00 -0.01 -0.00 -0.05 0.09 0.02 0.00 -0.00 -0.00 -0.04 0.05 -0.00 -0.03 -0.50 -0.05 0.62 -0.22 0.11 -0.00 -0.00 -0.00 0.04 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.11 0.01 -0.10 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.05 -0.01 -0.01 -0.06 0.07 0.00 -0.02 -0.01 -0.03 0.79 0.11 0.12 0.01 0.00 -0.03 -0.03 -0.02 -0.03 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.01 0.00 0.04 0.17 -0.08 -0.02 0.01 0.06 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 -0.02 -0.01 0.03 -0.05 -0.01 -0.03 -0.01 0.01 0.00 0.07 -0.14 -0.03 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.14 0.01 -0.13 0.00 -0.01 -0.00 0.02 0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.14 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.03 -0.04 -0.00 -0.33 0.67 0.07 0.02 0.01 0.03 -0.13 -0.04 -0.02 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.03 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 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.03 -0.14 0.07 0.01 -0.00 -0.03 0.00 0.00 -0.00 -0.07 -0.01 0.02 0.01 -0.02 -0.00 0.03 0.01 -0.01 -0.33 -0.14 0.36 -0.21 -0.05 -0.14 0.00 -0.01 -0.00 -0.04 0.08 0.01 0.02 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.12 -0.01 0.08 -0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.00 -0.02 0.00 -0.01 -0.00 -0.05 -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 -0.01 -0.02 -0.01 -0.01 0.01 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.14 -0.07 -0.20 -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 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.14 -0.02 0.04 -0.01 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.04 -0.02 0.02 0.75 0.11 -0.25 -0.13 0.22 0.01 0.01 0.00 -0.00 -0.08 -0.04 0.09 -0.03 -0.00 -0.02 0.00 -0.00 -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.01 -0.17 -0.01 -0.29 0.12 -0.06 -0.01 -0.00 -0.00 0.20 0.03 0.05 -0.02 0.02 -0.01 0.00 0.00 0.00 -0.02 -0.00 0.02 0.00 0.00 -0.00 -0.06 -0.03 -0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.42 0.27 0.19 0.01 0.00 -0.02 -0.13 -0.03 0.19 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.05 0.02 0.06 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.01 0.01 -0.08 -0.01 -0.00 -0.00 0.00 0.01 0.07 -0.09 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 -0.07 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.12 -0.02 0.04 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.03 0.01 -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.00 0.02 -0.01 0.00 -0.04 -0.01 -0.01 0.74 0.13 0.17 -0.06 0.08 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 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 -0.03 0.02 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.02 0.01 0.00 0.00 -0.01 0.02 0.00 -0.00 -0.00 -0.01 -0.20 -0.03 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.04 -0.07 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 -0.01 -0.04 0.01 0.13 0.57 -0.27 -0.02 -0.01 0.08 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.11 -0.05 0.12 -0.03 -0.01 -0.02 0.00 -0.00 -0.00 -0.01 0.03 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.01 -0.00 0.00 -0.00 -0.04 -0.02 -0.01 0.11 -0.00 -0.13 0.00 -0.01 -0.00 0.54 0.27 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 -0.07 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.02 0.00 0.20 -0.40 -0.04 0.01 0.00 0.01 0.07 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 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 -0.01 0.02 -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 -0.00 0.00 0.01 0.04 -0.02 -0.00 0.00 0.02 0.01 -0.00 -0.00 -0.09 -0.01 0.03 -0.01 0.02 -0.00 0.03 0.01 -0.04 -0.52 -0.22 0.55 0.09 0.02 0.03 0.00 -0.01 -0.00 -0.05 0.10 0.01 0.02 0.01 0.02 0.00 -0.02 -0.00 0.01 0.28 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.16 -0.08 -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 0.16 0.10 0.07 -0.00 0.00 0.00 0.02 0.01 -0.04 0.01 -0.00 0.00 -0.05 0.10 0.01 -0.02 -0.01 -0.03 -0.16 -0.03 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.04 -0.01 -0.00 -0.00 0.00 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 0.05 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.02 0.01 -0.01 -0.03 0.01 0.12 0.54 -0.25 -0.02 -0.00 0.09 0.02 -0.02 -0.00 -0.12 -0.03 0.04 -0.15 0.30 0.00 -0.00 -0.00 0.01 0.08 0.03 -0.08 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.03 -0.01 0.01 0.01 0.00 0.00 -0.14 -0.02 -0.03 0.01 -0.02 0.00 0.03 0.02 0.02 0.05 0.00 -0.01 -0.00 -0.00 -0.00 -0.47 -0.23 -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 0.60 0.39 0.27 -0.00 -0.00 0.01 0.05 0.01 -0.08 -0.00 0.00 -0.00 0.01 -0.03 -0.00 -0.01 -0.01 -0.02 0.04 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.02 -0.02 0.02 -0.14 -0.02 -0.00 -0.01 0.01 0.01 0.08 -0.10 0.01 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.01 0.19 0.03 -0.07 0.02 0.00 0.01 -0.00 -0.03 -0.15 0.07 0.01 0.00 -0.02 -0.01 0.00 0.00 0.09 0.02 -0.03 0.02 -0.05 -0.00 0.00 0.00 -0.00 -0.04 -0.02 0.04 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.07 0.03 -0.01 0.03 0.01 0.01 -0.46 -0.08 -0.11 0.04 -0.06 0.02 -0.01 -0.00 -0.01 -0.02 -0.00 0.01 -0.00 0.00 0.00 0.12 0.06 0.07 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.03 -0.02 -0.05 0.03 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.05 -0.21 0.10 0.02 -0.00 -0.06 0.04 -0.05 -0.00 -0.21 -0.05 0.07 -0.40 0.79 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.00 0.04 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.09 -0.02 0.08 -0.00 0.00 0.00 0.22 0.11 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 0.12 0.05 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 0.01 0.00 0.00 0.01 -0.06 -0.01 -0.28 0.91 0.12 0.00 0.00 -0.00 -0.00 -0.03 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 0.01 -0.01 -0.01 0.00 0.03 0.06 -0.16 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 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 0.01 0.01 0.02 -0.05 -0.01 -0.09 -0.07 -0.07 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.09 0.05 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 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 -0.06 0.19 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 0.02 -0.05 0.02 0.01 -0.02 -0.05 -0.31 0.80 -0.25 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.05 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.02 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.21 0.18 0.19 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.06 -0.01 -0.01 0.06 -0.11 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 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 -0.04 -0.01 -0.01 0.02 0.01 0.01 -0.31 -0.21 -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 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.04 0.01 0.02 -0.00 -0.06 -0.02 -0.12 0.03 -0.22 0.15 0.85 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -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 -0.01 0.02 -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 -0.03 -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 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.04 -0.03 -0.03 0.66 0.45 0.37 -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 -0.03 0.08 -0.02 0.01 -0.00 -0.02 -0.01 -0.05 0.01 -0.10 0.07 0.38 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 0.00 0.00 0.00 0.01 0.01 0.01 -0.01 0.03 0.01 -0.12 -0.11 -0.11 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.05 0.10 -0.02 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 0.00 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 -0.02 -0.01 0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.03 -0.02 -0.00 -0.00 -0.00 -0.01 0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.02 0.02 -0.02 -0.00 -0.19 -0.19 0.25 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.03 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -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 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.13 0.12 0.12 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 -0.05 0.01 -0.11 -0.04 -0.02 -0.38 0.79 -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.04 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 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 -0.01 -0.00 -0.00 0.12 0.08 0.07 0.00 -0.00 -0.00 -0.02 0.05 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.02 -0.02 0.02 0.01 0.25 0.26 -0.35 -0.01 0.02 -0.01 -0.00 0.01 0.02 0.10 -0.27 0.08 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 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 0.02 0.01 -0.03 0.00 0.00 0.00 -0.03 -0.03 -0.03 -0.04 0.03 -0.00 0.49 0.43 0.43 0.00 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 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 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 -0.01 -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 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.10 0.07 0.06 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.03 0.04 -0.03 -0.01 -0.39 -0.40 0.53 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.07 -0.19 0.06 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.01 0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.02 -0.01 -0.02 0.02 -0.00 0.26 0.22 0.22 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 0.06 0.02 0.01 0.16 -0.35 0.07 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.07 0.00 -0.02 -0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -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 -0.01 -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 0.02 0.02 -0.02 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.03 -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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.02 0.05 -0.01 -0.00 -0.00 0.00 0.03 0.00 -0.03 -0.15 0.98 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 0.01 0.00 -0.02 -0.02 -0.05 -0.02 -0.07 0.05 0.40 0.44 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 0.00 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 1 298.150 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 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 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 337.15516 0.99969 0.02264 -0.01013 -0.02252 0.99967 0.01217 0.0104 -0.01194 0.99987 asymmetric 1 0.01077 0.00993 0.00771 0.22446 0.20699 0.16075 990433.4 48.24 56.89 65.01 68.04 73.46 79.65 86.97 92.72 95.44 102.15 106.77 111.13 119.70 122.35 139.00 145.13 150.15 165.98 181.62 184.32 193.21 193.60 200.18 224.13 230.53 239.10 243.37 260.05 261.94 280.96 281.87 286.51 297.62 304.42 305.78 312.19 317.26 322.26 332.14 336.47 349.58 354.21 369.82 506.16 516.09 523.75 534.68 556.53 572.46 582.31 596.76 602.48 641.14 664.02 677.25 685.47 695.31 711.01 721.99 725.34 737.48 744.92 762.22 766.32 776.08 797.63 806.02 824.22 827.59 848.06 875.10 891.43 903.52 943.10 967.45 977.61 982.19 990.36 1014.89 1027.70 1070.19 1079.85 1089.41 1105.26 1123.77 1139.14 1209.51 1230.64 1280.00 1302.75 1324.39 1331.98 1359.12 1518.51 1743.83 2322.33 2348.13 2358.85 2367.68 2369.09 2369.85 2374.79 2378.72 2383.92 2386.77 2388.55 2397.39 2411.10 2424.41 4863.53 4885.26 4907.26 4925.28 4945.44 4966.13 4972.38 4990.77 5004.81 5013.58 5030.72 5035.23 5082.02 5097.66 5114.65 5125.51 5146.43 5154.67 5157.24 5225.55 5338.46 5369.93 5385.26 5403.52 5406.62 5418.27 5423.29 5483.86 5511.65 0.377236 0.417833 0.418777 0.305672 -1471.117628 -1471.077032 -1471.076088 -1471.189192 262.194 140.762 238.049 0.000 0.000 0.000 0.889 2.981 43.341 0.889 2.981 35.019 260.417 134.800 159.689 1 0.594 1.983 5.609 2 0.594 1.981 5.282 3 0.595 1.979 5.018 4 0.595 1.979 4.928 5 0.595 1.977 4.776 6 0.596 1.975 4.616 7 0.597 1.973 4.443 8 0.597 1.971 4.316 9 0.598 1.970 4.259 10 0.598 1.968 4.126 11 0.599 1.966 4.039 12 0.599 1.964 3.960 13 0.600 1.961 3.814 14 0.601 1.960 3.771 15 0.603 1.952 3.522 16 0.604 1.948 3.437 17 0.605 1.946 3.371 18 0.608 1.937 3.177 19 0.611 1.927 3.003 20 0.611 1.925 2.974 21 0.613 1.919 2.884 22 0.613 1.919 2.880 23 0.615 1.914 2.816 24 0.620 1.896 2.600 25 0.622 1.891 2.547 26 0.624 1.884 2.478 27 0.625 1.880 2.445 28 0.630 1.866 2.321 29 0.630 1.864 2.307 30 0.636 1.846 2.177 31 0.636 1.846 2.171 32 0.637 1.841 2.141 33 0.641 1.830 2.071 34 0.643 1.823 2.030 35 0.644 1.822 2.022 36 0.646 1.815 1.984 37 0.647 1.810 1.955 38 0.649 1.805 1.927 39 0.653 1.794 1.872 40 0.654 1.789 1.849 41 0.659 1.774 1.781 42 0.661 1.769 1.758 43 0.667 1.751 1.682 44 0.728 1.572 1.158 45 0.734 1.557 1.128 46 0.738 1.546 1.105 47 0.743 1.530 1.073 48 0.755 1.498 1.012 49 0.764 1.475 0.970 50 0.770 1.460 0.945 51 0.778 1.438 0.910 52 0.782 1.430 0.896 53 0.805 1.371 0.809 54 0.819 1.335 0.762 55 0.828 1.315 0.736 56 0.833 1.302 0.720 57 0.839 1.287 0.701 58 0.850 1.263 0.673 59 0.857 1.246 0.654 60 0.859 1.241 0.648 61 0.868 1.222 0.627 62 0.873 1.211 0.615 63 0.885 1.184 0.588 64 0.888 1.178 0.581 65 0.894 1.163 0.567 66 0.910 1.130 0.535 67 0.916 1.117 0.523 68 0.929 1.090 0.499 69 0.932 1.085 0.494 70 0.947 1.054 0.468 71 0.967 1.014 0.436 72 0.980 0.991 0.417 0.826223e+33 32.917097 75.794417 0.338111e+18 17.529059 40.362150 0.100000e+01 0.000000 0.000000 0.243332e+09 8.386199 19.309936 0.100424e+08 7.001840 16.122332 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 5.6424 0.5766 -0.8946 5.7419 -185.7265 -211.9326 -160.9892 -9.9146 15.9587 -6.9804 0.4896 -25.7165 25.2269 -9.9146 15.9587 -6.9804 57.5152 -25.7354 -30.0145 23.1100 71.7290 48.1610 36.7646 -1.4783 -48.4568 4.5000 -5062.4772 -4896.2213 -2057.3919 19.9152 354.7000 -206.7574 -120.3921 115.2503 -90.5378 -1734.6776 -966.4568 -1216.2092 -33.4236 54.0946 -63.9554 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.4948645 1.921E-9 2.62E-5 0.3772362 0.4178328 -1471.0770317 -1471.0760876 -1471.1891923 -2.079245,-7.8193519,9.8985969,7.9452705,-5.6768079,-20.0922546 C01 [X(B1F3H29O15)] 1.4591538 0.3743125 1.683435 2.3115301 0.0256807 -0.017085 0.0573005 2.3940638 -0.0208003 -0.057761 -0.015079 2.3376025 -0.6876028 0.0212681 0.0564798 0.0284299 -0.7635746 -0.1481896 0.0617756 -0.1464775 -1.3615296 -1.2743368 -0.1352949 -0.2708724 -0.1129863 -0.7626495 -0.0319212 -0.2713419 -0.0289199 -0.811628 -0.9392568 0.3366138 0.0727207 0.3389629 -1.1441855 -0.1438478 0.0886667 -0.1352926 -0.6777786 -1.1539164 -0.3379711 0.0624399 -0.3163786 -1.226103 0.1983819 0.0938816 0.2356735 -1.2685712 0.7239045 0.2309654 -0.1338856 0.2181221 0.5836356 -0.1102651 -0.1824069 -0.1406327 0.4437201 0.4293042 0.0518835 0.041874 0.0681391 0.4202721 0.1686237 0.0826899 0.1230311 0.7546347 -1.1726666 0.0313307 0.1056376 0.0247083 -1.153616 0.1220137 0.103364 0.1362256 -1.0257752 0.785564 0.2385539 0.0118472 0.2497806 0.6081481 0.0042363 -0.0331587 -0.0269799 0.3468585 -1.1975506 -0.0462411 -0.0237371 -0.0591432 -1.016309 0.1165967 -0.0421936 0.11439 -1.043533 0.7033417 -0.2535417 -0.0267436 -0.2241026 0.59942 -0.01897 0.0123542 -0.05974 0.3695368 0.497835 -0.0128259 -0.2744181 -0.0092604 0.4121924 -0.0521618 -0.2319254 -0.0346219 0.8406203 0.4739156 0.0435746 0.1670754 0.0258871 0.3847148 -0.028709 0.1503853 0.0136613 0.8581843 -1.1420265 0.0830006 0.0693829 0.0754316 -1.0063305 0.1295421 0.0567931 0.156102 -0.8575579 0.3829941 -0.0469577 -0.039852 -0.0385411 0.4612182 0.0281723 -0.0105652 0.0754827 0.4930065 -0.8586259 -0.1115747 0.0536336 -0.1250533 -1.0739046 -0.013707 0.0434044 -0.0153874 -0.973562 0.4577012 -0.0735174 0.0228688 -0.0883279 0.5531811 -0.0398996 -0.0019695 0.0062986 0.3793357 -0.9726067 -0.0678504 -0.157143 -0.1138947 -0.9591482 0.2190608 -0.1830079 0.2036167 -0.9236986 0.4958898 0.1894204 -0.0519211 0.1842502 0.8004519 -0.2169178 -0.0530443 -0.230767 0.4526775 0.403049 -0.0024309 0.0404336 0.0214744 0.3610151 -0.0812605 0.0592464 -0.0332148 0.329999 -0.8319835 0.1661005 0.1210982 0.1428542 -1.0447221 0.0757045 0.0737359 0.0551272 -1.0718707 0.5140332 -0.2447311 0.0662694 -0.2861752 0.8097633 -0.1589191 0.0718286 -0.1477563 0.4825983 0.384354 0.0107816 0.0142364 0.0657974 0.4308678 0.0413805 -0.0085549 0.0076291 0.4415837 -0.8983695 -0.1808676 -0.0456642 -0.1640748 -0.9236232 -0.0058108 -0.055743 -0.0134317 -1.3665295 0.6485966 0.2156077 -0.2175191 0.2514059 0.5302496 -0.1611091 -0.2218548 -0.1417383 0.5795171 0.3892316 -0.010534 0.0497578 -0.0844459 0.5322613 -0.0601202 0.0792905 -0.0711142 0.4707201 -0.811091 -0.0539299 -0.1222465 -0.0213439 -0.9906696 -0.0066122 -0.1414821 -0.0123275 -1.073206 0.386104 -0.0091637 0.0220878 -0.0737998 0.8069352 0.0749668 0.0124161 0.0562827 0.413002 0.5484905 -0.0077966 0.0008356 0.0707061 0.3786838 -0.0405339 0.0088765 -0.017918 0.4125956 -1.0840564 0.0313315 -0.010226 0.0225554 -0.8428948 0.0823796 -0.0019801 0.0919006 -1.1806744 0.6907434 0.1260272 0.2519513 0.0830957 0.3709054 0.0464636 0.2227204 0.0729246 0.6024442 0.5072611 -0.1880282 0.0333346 -0.1287538 0.598827 -0.127209 0.0490783 -0.1657602 0.436441 -1.0599677 0.1572238 -0.0308307 0.1836647 -1.2254859 -0.092481 -0.0369757 -0.1317674 -1.0779885 0.6296682 0.2173893 0.0103797 0.1966155 0.5867926 0.0020801 0.0490153 0.0300333 0.3746773 0.3751125 -0.0408578 0.0078702 -0.0442927 0.386552 0.0720305 -0.0193105 0.0486162 1.0119512 -1.1721929 0.0501029 -0.0374075 0.0561806 -1.1638437 -0.0057352 -0.0015778 0.0230575 -0.7406206 0.7654373 -0.2614311 0.0999845 -0.2524783 0.6405297 -0.0604688 0.0557617 -0.0175067 0.3732756 0.4118772 0.0318288 -0.020268 0.0325284 0.4196659 0.0815593 0.0347768 0.0540693 0.480259 -1.2486714 -0.0123846 -0.1093304 0.0241331 -1.1330828 0.1380816 -0.0788893 0.0486906 -1.0532336 0.481599 -0.2045635 -0.0608091 -0.2004531 0.8954569 0.0712217 -0.0563468 0.0543433 0.3479389 0.600795 -0.048337 0.2607873 -0.079178 0.4045978 -0.142369 0.2522923 -0.0818891 0.7154872 -1.0747789 -0.1292893 -0.0558323 -0.1524805 -0.8371246 0.0402521 -0.0444336 0.0350956 -1.0067407 0.4496317 0.0346994 0.1251937 0.0143818 0.3608455 0.0120942 0.1042765 0.0596528 0.8326035 0.4774502 -0.0792402 -0.0347212 -0.0613717 0.4639945 0.0038749 0.0008306 -0.0651225 0.3801591 -1.0664838 0.0744502 -0.0853712 0.0526583 -1.2374405 -0.0462092 -0.0685269 -0.0345434 -0.9730293 0.8875184 0.1798607 0.0857769 0.1776681 0.4921152 0.0304898 0.1198095 0.0382084 0.3726006 0.4085762 0.0298155 0.0490238 -0.0033775 0.4166938 0.0127601 0.0480613 -0.0113724 0.4257978 0.424675 -0.0181503 -0.0770965 -0.0268185 0.4006577 0.0422601 -0.1322813 0.0392477 0.7276993 188.0006089|-1.097592|188.3536221|2.0485796|-1.2702753|188.6765016 -0.000023698 -0.000033844 0.000107414 0.000007240 -0.000017411 -0.000094441 0.000016971 0.000000294 0.000004986 -0.000011864 0.000005186 -0.000006183 0.000008125 0.000059736 0.000008248 -0.000019336 -0.000055835 0.000007804 0.000010804 -0.000003290 0.000017898 -0.000006273 0.000014170 -0.000020507 -0.000022098 -0.000015933 0.000010689 -0.000039120 -0.000008956 0.000039454 0.000020429 0.000022002 -0.000008955 -0.000013372 -0.000012877 0.000021605 0.000034869 0.000023258 -0.000005023 0.000000281 0.000054025 -0.000006828 0.000017359 -0.000012434 -0.000006870 0.000002522 0.000000126 -0.000031859 -0.000005458 -0.000004842 0.000015051 -0.000009553 0.000005943 -0.000020549 0.000015593 0.000019495 0.000003125 0.000013754 -0.000003278 0.000014522 -0.000002479 -0.000008334 0.000024902 -0.000011607 0.000007518 -0.000016803 -0.000007343 0.000009890 -0.000004758 0.000008503 0.000001123 -0.000012060 -0.000037908 -0.000014477 0.000022397 -0.000004552 -0.000000680 -0.000013855 0.000008942 0.000003094 0.000005009 -0.000007502 -0.000024977 -0.000005031 -0.000004102 0.000004921 -0.000000061 -0.000016025 0.000006606 -0.000019812 0.000024109 0.000005466 0.000034486 0.000002760 0.000003730 -0.000003258 -0.000022002 0.000055089 0.000102910 0.000013434 -0.000040760 -0.000058846 0.000021195 -0.000045702 -0.000057961 -0.000004325 0.000008477 0.000007162 0.000008123 -0.000007187 -0.000000084 0.000002705 0.000001076 -0.000001667 0.000066720 0.000059494 0.000006818 -0.000002572 -0.000026272 -0.000041308 -0.000049028 -0.000037680 -0.000020658 0.000028490 0.000005735 0.000004209 -0.000004956 0.000001112 -0.000023836 -0.000016417 0.000009721 0.000006790 0.000003358 0.000034971 -0.000003616 -0.000021453 -0.000034623 0.000019065 0.000004275 -0.000003583 -0.000007322 0.000022481 -0.000009279 0.000007605 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2403,1.1993,-1.3026;.3618,.9224,-2.6971;1.5593,1.4837,-.81;-.5538,2.3643,-1.133;-.3667,.1101,-.5916;-1.2267,3.3279,1.7827;3.2046,-.541,1.9199;-.3802,-3.1547,-2.6978;.4678,-2.6691,-2.6154;-2.5653,2.167,2.2501;-1.9274,1.4275,2.3138;-.7237,-3.2318,-1.7816;-2.9399,2.0832,1.3481;-.4528,3.8135,1.4213;-.4167,3.5213,.4978;3.2436,-.262,2.8551;2.6546,.5095,2.8843;2.2188,-2.7075,3.72;2.5667,-1.805,3.5469;1.726,-2.6363,4.5467;-1.8836,-.9784,-3.5682;-1.3696,-1.7767,-3.3078;-1.2795,-.2455,-3.3805;2.6365,-1.0553,.1454;1.8775,-1.5144,.5711;2.3109,-.1627,-.0514;-3.3866,1.9989,-.4465;-3.4451,1.0408,-.628;-2.5081,2.2366,-.7813;-1.5116,-3.2469,-.1426;-.8169,-2.9585,.4834;-2.0747,-2.4641,-.2837;-.5092,.2229,2.1371;.2675,.785,2.3311;-.551,.2568,1.1554;1.6415,2.0943,2.0896;.9407,2.7773,1.9914;1.8478,1.8642,1.1709;.5408,-2.2962,1.5323;.1496,-1.4601,1.8639;1.0627,-2.6283,2.2937;1.9278,-1.5844,-2.5878;2.2361,-1.4971,-1.6643;1.5059,-.7327,-2.7776;-2.9334,-.7893,-.913;-2.0501,-.4155,-.7034;.0931,-.7261,-.7447;-2.8566,-.9203,-1.8786; Gaussian 16 6-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(BF3H29O15)] 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 0 307.7972096 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2403,1.1993,-1.3026;.3618,.9224,-2.6971;1.5593,1.4837,-.81;-.5538,2.3643,-1.133;-.3667,.1101,-.5916;-1.2267,3.3279,1.7827;3.2046,-.541,1.9199;-.3802,-3.1547,-2.6978;.4678,-2.6691,-2.6154;-2.5653,2.167,2.2501;-1.9274,1.4275,2.3138;-.7237,-3.2318,-1.7816;-2.9399,2.0832,1.3481;-.4528,3.8135,1.4213;-.4167,3.5213,.4978;3.2436,-.262,2.8551;2.6546,.5095,2.8843;2.2188,-2.7075,3.72;2.5667,-1.805,3.5469;1.726,-2.6363,4.5466;-1.8836,-.9784,-3.5682;-1.3696,-1.7767,-3.3078;-1.2795,-.2455,-3.3805;2.6365,-1.0553,.1454;1.8775,-1.5144,.5711;2.3109,-.1627,-.0514;-3.3866,1.9989,-.4465;-3.4451,1.0408,-.628;-2.5081,2.2366,-.7813;-1.5116,-3.2469,-.1426;-.8169,-2.9585,.4834;-2.0747,-2.4641,-.2837;-.5092,.2229,2.1371;.2675,.785,2.3311;-.551,.2568,1.1554;1.6415,2.0943,2.0896;.9407,2.7773,1.9914;1.8478,1.8642,1.1709;.5409,-2.2962,1.5323;.1496,-1.4601,1.8639;1.0627,-2.6283,2.2937;1.9278,-1.5844,-2.5878;2.2361,-1.4971,-1.6643;1.5059,-.7327,-2.7776;-2.9334,-.7893,-.913;-2.0501,-.4155,-.7034;.0931,-.7261,-.7447;-2.8566,-.9203,-1.8786; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/water/CONF100/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 14H2OBF3OH CONF100 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 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 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 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 611 A 592 A 592 916 611 91 91 2119.2180255233 48 48 48 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) -0.0627589330 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.426947 0.000000 1.436447 2.304405 0.000000 1.420116 2.316050 2.311984 0.000000 1.435400 2.371497 2.375749 2.325912 0.000000 4.025177 5.327162 4.229075 3.143641 4.090393 0.000000 4.711693 5.616023 3.776047 5.646844 4.414267 5.884191 0.000000 4.614017 4.144101 5.370347 5.739246 3.885286 7.925692 6.403599 0.000000 4.091416 3.594007 4.657963 5.345727 3.537807 7.627508 5.708578 0.980674 0.000000 4.629134 5.881449 5.181050 3.940804 4.139970 1.832542 6.382321 7.587923 7.500644 0.000000 4.222415 5.532129 4.681694 3.826804 3.551362 2.093990 5.510695 6.964653 6.842173 0.978672 0.000000 4.559969 4.390211 5.328429 5.636173 3.565365 7.482489 6.031038 0.981516 1.559297 6.985173 6.319015 0.000000 4.233294 5.349044 5.025897 3.453689 3.778450 2.161809 6.705862 7.096284 7.064400 0.980273 1.545214 6.554076 0.000000 3.838442 5.097347 3.801972 2.938438 4.215925 0.982473 5.708452 8.094933 7.691929 2.803664 2.943456 7.743885 3.030651 0.000000 3.010760 4.191380 3.125189 2.004179 3.581305 1.531190 5.624828 7.401535 6.985368 3.085666 3.156624 7.134043 3.026176 0.969297 0.000000 5.333106 6.366717 4.395173 6.101117 5.005280 5.832818 0.976720 7.234310 6.589817 6.325352 5.466940 6.786652 6.782901 5.685883 5.767937 0.000000 4.882105 6.048127 3.974503 5.465662 4.622759 4.921573 1.528413 7.334652 6.718063 5.513388 4.707820 6.868869 6.011300 4.765808 4.919347 0.971091 0.000000 6.663647 7.602922 6.206627 7.547389 5.763128 7.214673 2.984326 6.938572 6.573036 6.986372 6.022226 6.261093 7.428992 7.412494 7.491831 2.789035 3.352241 0.000000 6.160785 7.161559 5.550914 7.001595 5.422125 6.621855 2.156788 7.035850 6.567046 6.617842 5.671571 6.423086 7.090550 6.723278 6.824033 1.821365 2.409024 0.982672 0.000000 7.150695 8.185198 6.759856 7.903307 6.190582 7.206234 3.671037 7.562245 7.271785 6.838206 5.903189 6.811955 7.367194 7.490960 7.674697 3.286572 3.677179 0.965021 1.548360 0.000000 3.792980 3.068233 5.052112 4.344308 3.513749 6.899936 7.496735 2.784596 3.048827 6.649125 6.355173 3.100813 5.887234 7.064341 6.239559 8.249940 8.027772 8.540396 8.432912 9.034893 0.000000 3.933093 3.264340 5.044593 4.748000 3.455973 7.210484 7.055475 1.802784 2.156848 6.918963 6.494609 2.205436 6.248349 7.379343 6.592373 7.845910 7.730711 7.945695 7.904628 8.486153 0.984463 0.000000 2.952097 2.127184 4.201959 3.519813 2.955966 6.279391 6.949012 3.120645 3.084217 6.259095 5.970179 3.432705 5.526209 6.341570 5.474861 7.703377 7.436081 8.289586 8.075545 8.808449 0.968210 1.535566 0.000000 3.594717 4.143163 2.918868 4.848388 3.304678 6.067786 1.932863 4.646772 3.863923 6.470839 5.629886 4.443180 6.511027 5.905657 5.512898 2.887952 3.154423 3.960044 3.483802 4.764377 5.850559 5.338047 5.331361 0.000000 3.681763 4.349333 3.316233 4.884683 3.004551 5.878127 2.127933 4.298113 3.670726 6.009161 5.115565 3.905238 6.062513 5.877030 5.534214 2.941354 3.170349 3.384615 3.068363 4.133579 5.618485 5.065441 5.214597 0.983942 0.000000 2.776342 3.460680 1.962422 3.970234 2.745175 5.297491 2.197218 4.816403 4.031498 5.873829 5.107475 4.649915 5.879969 5.061337 4.616692 3.054131 3.031248 4.550609 3.963606 5.253828 5.534220 5.172572 4.897024 0.970289 1.549983 0.000000 3.811309 4.502680 4.985900 2.937536 3.564821 3.376551 7.449459 6.376976 6.430375 2.823893 3.174085 6.019397 1.851276 3.922820 3.468380 7.744175 7.057550 8.422036 8.115319 8.517926 4.568170 5.148754 4.252623 6.779098 6.410077 6.106550 0.000000 3.749913 4.334449 5.027228 3.219604 3.216173 3.995458 7.294668 5.592855 5.746611 3.213327 3.332682 5.195383 2.290555 4.565168 4.073226 7.653003 7.058697 8.064441 7.853036 8.187702 3.893644 4.407623 3.730994 6.479036 6.024684 5.908669 0.976821 0.000000 2.983521 3.692426 4.136621 1.989780 3.023833 3.067094 6.902633 6.104699 6.023763 3.032659 3.251305 5.838504 2.178072 3.400302 2.767750 7.249073 6.563030 8.188388 7.798792 8.370150 4.300424 4.877084 3.798172 6.177604 5.927270 5.432542 0.969652 1.526822 0.000000 4.917684 5.236305 5.679344 5.777942 3.575172 6.856865 5.815402 2.796083 3.219756 6.012068 5.296823 1.818685 5.715963 7.308607 6.886075 6.364609 6.374199 5.396918 5.685464 5.730959 4.125491 3.492960 4.421176 4.700369 3.872601 4.912477 5.579067 4.728490 5.609791 0.000000 4.646978 5.154268 5.201181 5.569048 3.282413 6.432332 4.907194 3.217093 3.367021 5.696299 4.880551 2.283388 5.538335 6.846253 6.492154 5.420691 5.462853 4.444577 4.707937 4.804178 4.634039 4.009459 4.743858 3.957614 3.058243 4.229137 5.660649 4.912917 5.607861 0.978610 0.000000 4.451733 4.819751 5.391520 5.133069 3.104595 6.207806 6.035368 3.029287 3.455911 5.301622 4.681100 2.158366 4.908071 6.704132 6.259798 6.556385 6.422254 5.875657 6.054005 6.148761 3.610009 3.180463 3.891667 4.936086 4.153628 4.958247 4.654621 3.779015 4.746781 0.974572 1.553993 0.000000 3.653298 4.961644 3.814964 3.909120 2.734744 3.206449 3.797833 5.899338 5.648442 2.831850 1.869044 5.228567 3.160915 3.661618 3.684482 3.851603 3.263520 4.305292 3.944802 4.356302 5.990285 5.863990 5.590792 3.936594 3.341768 3.590512 4.255378 4.115100 4.070291 4.271035 3.598720 3.940973 0.000000 3.657312 5.030974 3.467459 3.894710 3.065914 2.999969 3.248662 6.421171 6.036458 3.152992 2.287116 5.833696 3.597138 3.243157 3.364021 3.198143 2.465811 4.234920 3.670488 4.329114 6.522235 6.406265 6.006468 3.711628 3.313163 3.278722 4.747756 4.754500 4.415664 5.053819 4.313206 4.783320 0.978242 0.000000 2.748773 4.014685 3.133880 3.110981 1.762719 3.206559 3.914784 5.149239 4.880287 2.984059 2.146382 4.563550 3.013284 3.567941 3.332802 4.190179 3.650921 4.799646 4.437404 5.005559 5.061030 4.972442 4.621355 3.591922 3.062042 3.134132 3.693418 3.488665 3.391219 3.857910 3.295473 3.434517 0.983253 1.526895 0.000000 3.777786 5.091566 2.964371 3.908672 3.893483 3.137270 3.068723 7.386477 6.797451 4.210506 3.637613 6.996343 4.641066 2.790731 2.967587 2.950484 2.041995 5.103869 4.264301 5.331327 7.340311 7.292769 6.627935 3.832807 3.922363 3.182239 5.632306 5.862491 5.047938 6.591983 5.844213 6.342129 2.851345 1.913224 3.009409 0.000000 3.719000 5.075218 3.147043 3.487955 3.936408 2.245937 4.017676 7.676132 7.149108 3.568141 3.186256 7.288053 3.994352 1.827670 2.151030 3.909920 2.979623 5.891156 5.105017 6.037689 7.279567 7.359238 6.551629 4.579596 4.616724 3.833353 5.027398 5.395524 4.458058 6.845401 6.185694 6.460772 2.940849 2.130238 3.045860 0.983503 0.000000 3.023935 4.249302 2.037630 3.365371 3.329738 3.459629 2.861264 6.717178 6.065562 4.553175 3.968473 6.426426 4.795949 3.025711 2.885659 3.050553 2.328522 5.247493 4.429997 5.627143 6.668075 6.608067 5.911495 3.193314 3.431573 2.411847 5.480183 5.650487 4.787825 6.255729 5.552583 6.019623 3.030299 2.237791 2.887543 0.969316 1.526363 0.000000 4.510540 5.317812 4.561892 5.479265 3.335334 5.900625 3.213491 4.413561 4.165048 5.484792 4.535258 3.668321 5.597197 6.190894 5.985843 3.632155 3.763998 2.787634 2.898983 3.256779 5.799130 5.229402 5.626237 2.802674 1.822520 3.192603 6.147167 5.629390 5.932501 2.814571 1.839121 3.188612 2.795430 3.194766 2.802110 4.560556 5.109909 4.375736 0.000000 4.136073 5.150181 4.219343 4.909412 2.959962 4.982521 3.190770 4.895146 4.650527 4.546975 3.585263 4.146313 4.729255 5.326230 5.196268 3.462772 3.345967 3.046790 2.965450 3.326494 5.820180 5.399588 5.569708 3.049920 2.158710 3.165899 5.459560 5.038433 5.265511 3.158899 2.255050 3.250844 1.827882 2.296196 1.985064 3.861414 4.312500 3.796655 0.980901 0.000000 5.316038 6.165002 5.175749 6.267549 4.226923 6.401528 3.014087 5.222498 4.945163 6.013252 5.038929 4.490388 6.254098 6.674926 6.575133 3.266673 3.567788 1.837742 2.123828 2.348583 6.764997 6.165926 6.584862 3.092978 2.207272 3.624475 6.979667 6.505310 6.772998 3.597933 2.630405 4.063642 3.259647 3.504961 3.496258 4.762406 5.415516 4.696786 0.981012 1.543807 0.000000 3.499771 2.957739 3.565039 4.885434 3.481543 7.292678 4.799835 2.793764 1.819098 7.593800 6.925284 3.224058 7.255145 7.132801 6.409814 5.753749 5.903965 6.413662 6.171860 7.214434 3.981876 3.380607 3.564809 2.872785 3.160109 2.932785 6.757753 6.292876 6.127055 4.535780 4.342168 4.701441 5.615238 5.706702 4.852396 5.957654 6.400633 5.101671 4.405194 4.795396 5.066328 0.000000 3.374094 3.230098 3.173769 4.793387 3.241674 6.866836 3.833866 3.265151 2.324917 7.197289 6.458552 3.432725 6.977388 6.704681 6.074221 4.792239 4.989115 5.518731 5.230756 6.335139 4.567944 3.972498 4.107479 1.905417 2.264058 2.094622 6.731932 6.307973 6.101439 4.407197 4.008686 4.628692 4.994630 5.004647 4.335252 5.229137 5.771715 4.414435 3.705496 4.099205 4.280483 0.977534 0.000000 2.740467 2.013679 2.964234 4.066829 2.999312 6.689715 4.998848 3.070854 2.203126 7.089454 6.509693 3.494107 6.687000 6.491129 5.702737 5.913411 5.909278 6.828390 6.501859 7.570765 3.489220 3.104830 2.891306 3.150607 3.458737 2.899116 6.068923 5.681418 5.377232 4.729747 4.580831 4.694540 5.397100 5.471365 4.547313 5.630315 5.948357 4.738276 4.685175 4.890043 5.432115 0.969182 1.535183 0.000000 3.765410 4.119629 5.036006 3.956762 2.738590 5.208741 6.764752 3.911486 4.242626 4.345065 4.041996 3.406349 3.655614 5.726015 5.187014 7.254803 6.879843 7.189545 7.153563 7.411409 2.861509 3.025829 3.019880 5.675832 5.086540 5.351409 2.862976 1.921534 3.058437 2.941929 3.336872 1.984534 4.025447 4.821661 3.323864 6.185522 6.013705 5.851732 4.507819 4.203091 5.443668 5.202748 5.271546 4.815355 0.000000 2.865663 3.403196 4.079918 3.185992 1.767004 4.568588 5.874452 3.777490 3.882506 3.956971 3.537651 3.294452 3.353199 4.994953 4.428214 6.380446 5.988463 6.560777 6.427351 6.837703 2.924330 3.016404 2.790923 4.805635 4.272913 4.416684 2.771509 2.018056 2.692450 2.936254 3.065301 2.091345 3.294016 4.002613 2.480778 5.265754 5.138171 4.889066 3.904912 3.538509 4.854770 4.554192 4.523751 4.128903 0.981789 0.000000 2.009974 2.569362 2.652789 3.181215 0.966484 4.956307 4.100736 3.152272 2.723046 4.940210 4.251434 2.832106 4.633696 5.059374 4.454697 4.806266 4.610655 5.327163 5.069607 5.857806 3.455904 3.132531 3.010368 2.714753 2.353072 2.390990 4.429713 3.956539 3.942732 3.048324 2.705539 2.816506 3.093318 3.431426 2.234106 4.287914 4.525364 3.668532 2.801855 2.710539 3.713576 2.738586 2.456124 2.475625 3.031809 2.165933 0.000000 3.796712 3.797839 5.140164 4.080137 2.986224 5.840327 7.163140 3.434540 3.827854 5.163525 4.894013 3.146678 4.409026 6.251082 5.597162 7.749462 7.423159 7.765208 7.722119 8.076429 1.950609 2.233170 2.279954 5.855706 5.363347 5.533136 3.294429 2.399241 3.360295 3.199356 3.727395 2.353391 4.789907 5.512712 3.988265 6.713269 6.562685 6.259693 5.006977 4.830641 5.973791 4.882044 5.129724 4.458134 0.977509 1.512073 3.166062 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9238,.6795,-1.4141;-1.9928,.0383,-2.1087;.2431,.5789,-2.2457;-1.2369,2.056,-1.2592;-.7028,.1,-.1196;.7585,3.894,.3292;3.4073,-1.1536,-1.1299;-2.4513,-3.352,.23;-1.89,-3.2035,-.5603;.3569,3.4548,2.0624;.7728,2.5753,1.9558;-1.9034,-3.0675,.993;-.5961,3.2902,1.9021;.9149,3.9584,-.6386;.1806,3.4523,-1.0182;4.1946,-.6837,-.7933;3.883,.23,-.688;4.2898,-2.2904,1.4845;4.3563,-1.6499,.7422;4.6793,-1.8409,2.2444;-4.0158,-1.0702,-.0857;-3.5116,-1.9083,.0267;-3.508,-.5848,-.7519;1.6279,-1.8525,-1.4145;1.5326,-1.8826,-.4356;1.2852,-.9823,-1.6729;-2.3187,2.9282,1.3288;-2.5073,2.0442,1.6991;-2.0817,2.7389,.4078;-1.0227,-2.3852,2.4305;-.1082,-2.2221,2.1228;-1.4581,-1.5134,2.423;1.4409,.935,1.3589;2.0525,1.2059,.6451;.6163,.7352,.862;2.6598,1.8219,-1.0615;2.1789,2.6649,-.902;2.0282,1.3108,-1.5901;1.5376,-1.8586,1.3867;1.5875,-.8831,1.477;2.4582,-2.156,1.5494;-1.0151,-2.7531,-2.0903;-.0829,-2.5559,-1.8719;-1.408,-1.8829,-2.2567;-2.4564,.1445,1.9834;-1.7718,.2116,1.2829;-.5675,-.8558,-.1668;-3.2004,-.2424,1.4811; 0.2244633 0.2069939 0.1607510 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= 592 RedAO= T EigKep= 1.10D-04 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 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= 598 598 598 598 598 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.49486452221 -1471.49486452 1 1.466646071602e+03 -7.737581987926e+03 2.680274110091e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 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. PT265.600S Wed Nov 6 00:58:58 2024 -24.65511 -24.65107 -24.65100 -19.12595 -19.12536 -19.12281 -19.12244 -19.12243 -19.12168 -19.12148 -19.12033 -19.12001 -19.11879 -19.11750 -19.11559 -19.11518 -19.11165 -19.10862 -6.86224 -1.20558 -1.16460 -1.16003 -1.02929 -1.02212 -1.01979 -1.01545 -1.01465 -1.01173 -1.01126 -1.00756 -1.00527 -1.00300 -1.00195 -0.99729 -0.99511 -0.99014 -0.98670 -0.58491 -0.54544 -0.54032 -0.53830 -0.53371 -0.53149 -0.52978 -0.52770 -0.52592 -0.52546 -0.52118 -0.52046 -0.51882 -0.51717 -0.51490 -0.51443 -0.50379 -0.49995 -0.44569 -0.43384 -0.42845 -0.42735 -0.42144 -0.41798 -0.41396 -0.41373 -0.41087 -0.40705 -0.40330 -0.39966 -0.39953 -0.39675 -0.39404 -0.38775 -0.38461 -0.38305 -0.38160 -0.37666 -0.36124 -0.32852 -0.32665 -0.32433 -0.32267 -0.32107 -0.32059 -0.31990 -0.31967 -0.31868 -0.31696 -0.31600 -0.31515 -0.31363 -0.31110 -0.30919 -0.00726 0.01994 0.02249 0.02763 0.04973 0.06090 0.06783 0.06889 0.07147 0.08385 0.09755 0.09863 0.10596 0.11016 0.11314 0.11547 0.11586 0.12945 0.13104 0.13666 0.14154 0.14512 0.14803 0.15118 0.15339 0.15670 0.15860 0.16326 0.16621 0.17154 0.17358 0.18058 0.18274 0.18974 0.19038 0.19606 0.19860 0.19992 0.20405 0.20593 0.20975 0.21296 0.21647 0.22134 0.22323 0.22683 0.23022 0.23591 0.24095 0.24402 0.24859 0.24906 0.25127 0.25205 0.25511 0.25804 0.26104 0.26132 0.26413 0.26654 0.26925 0.26979 0.27154 0.27342 0.27662 0.27777 0.28148 0.28474 0.28778 0.28930 0.29282 0.29907 0.30052 0.30465 0.31076 0.31692 0.32346 0.33584 0.33802 0.35187 0.35751 0.36301 0.36891 0.37190 0.37660 0.39274 0.39768 0.41509 0.41688 0.43702 0.44635 0.45534 0.45816 0.47626 0.48342 0.48553 0.49237 0.49661 0.49805 0.50137 0.51330 0.51917 0.52231 0.52372 0.53099 0.53577 0.53910 0.54498 0.55314 0.55626 0.55891 0.56036 0.56391 0.57224 0.57926 0.58156 0.58439 0.58690 0.59438 0.60450 0.61233 0.61436 0.62304 0.62829 0.64177 0.64663 0.64957 0.65937 0.66830 0.67310 0.67548 0.68250 0.68317 0.69024 0.69633 0.70545 0.71879 0.72651 0.74184 0.77261 0.77744 0.82610 0.92383 0.95323 0.96147 0.96438 0.97825 0.98163 0.98302 0.99487 0.99776 1.00463 1.01674 1.01895 1.02015 1.02788 1.02904 1.03516 1.03696 1.04351 1.05253 1.05743 1.05839 1.06260 1.06498 1.06602 1.06781 1.07990 1.08605 1.08731 1.09185 1.09804 1.09986 1.10265 1.10854 1.11245 1.11546 1.12665 1.13334 1.14348 1.14518 1.15851 1.16871 1.17803 1.19391 1.20107 1.21331 1.23349 1.24205 1.25615 1.26010 1.26903 1.28022 1.28776 1.29459 1.29972 1.30468 1.31288 1.32401 1.33106 1.33139 1.33732 1.34240 1.35107 1.35826 1.35987 1.36689 1.37218 1.37491 1.37887 1.39101 1.39198 1.39903 1.40712 1.40880 1.41659 1.42275 1.43117 1.43846 1.44313 1.45434 1.45564 1.46378 1.46610 1.47372 1.47626 1.48432 1.49321 1.49936 1.50909 1.51575 1.52298 1.53393 1.53857 1.54774 1.55048 1.55810 1.56533 1.56860 1.58079 1.58739 1.59411 1.60565 1.61097 1.61537 1.62952 1.64096 1.64718 1.65741 1.66297 1.66544 1.67645 1.68879 1.69285 1.70018 1.70425 1.71373 1.72172 1.72956 1.74919 1.75444 1.76483 1.77533 1.78372 1.78659 1.79211 1.80033 1.81884 1.83230 1.83565 1.85614 1.86353 1.88299 1.91260 2.02858 2.05860 2.08053 2.11221 2.13946 2.16279 2.17334 2.18278 2.20676 2.20834 2.22960 2.23597 2.24856 2.26788 2.27487 2.27878 2.28736 2.30558 2.31010 2.32218 2.33195 2.34574 2.36141 2.36728 2.37437 2.38653 2.38799 2.40637 2.41530 2.42783 2.43223 2.45481 2.48125 2.49372 2.53818 2.57329 2.62200 2.62999 2.65881 2.68262 2.69192 2.70183 2.70755 2.71878 2.72656 2.73133 2.73710 2.74129 2.74801 2.76066 2.76460 2.77585 2.78100 2.79465 2.79912 2.80528 2.81632 2.83286 2.84564 2.85549 2.87776 2.89277 2.92067 2.95715 3.08487 3.08803 3.09365 3.09894 3.10055 3.10347 3.10844 3.10978 3.11326 3.12750 3.12936 3.13279 3.13670 3.14059 3.14285 3.14491 3.14984 3.15161 3.15776 3.15911 3.16037 3.16934 3.17043 3.17343 3.17775 3.18450 3.19829 3.21275 3.21878 3.23284 3.25772 3.32052 3.32459 3.32768 3.33680 3.34177 3.35281 3.35405 3.36648 3.37145 3.38719 3.39496 3.39693 3.40264 3.41378 3.57309 3.67541 3.68381 3.69652 3.70981 3.71202 3.71667 3.73284 3.73962 3.75773 3.77158 3.78164 3.79059 3.79961 3.80500 3.81940 3.81974 3.83084 3.84502 3.85911 3.87588 3.89404 3.91455 3.91802 3.92280 3.93231 3.93666 3.94244 3.94617 3.94867 3.95210 3.95839 3.96126 3.96820 3.98421 3.98529 4.00380 4.01854 4.02621 4.09604 4.21741 4.23294 4.39111 4.65402 4.66595 5.01418 5.02728 5.03701 5.04470 5.04740 5.05509 5.06027 5.06075 5.06828 5.07638 5.14118 5.15893 5.20173 5.23516 5.27257 5.35163 5.36072 5.37592 5.39335 5.40747 5.42268 5.43223 5.43699 5.44531 5.45698 5.47902 5.49992 5.51533 5.51811 5.56676 5.59497 5.65981 5.67003 5.68591 5.69695 5.70336 5.70577 5.72123 5.72671 5.74037 5.74470 5.75647 5.76286 5.76372 5.78951 6.40100 6.41439 6.41925 6.45087 6.45417 6.49977 6.52824 6.65026 6.67226 14.58564 49.87790 49.90210 49.91281 49.91474 49.92057 49.92616 49.93604 49.93923 49.94105 49.94961 49.95756 49.96354 49.97454 49.98195 49.99962 66.86352 66.86959 66.88103 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 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 0.986193 -0.397917 -0.447889 -0.444117 -0.879190 0.386762 0.359253 -0.846915 0.413002 -0.794623 0.387202 0.420420 0.392571 -0.722839 0.323735 -0.700614 0.354146 -0.724310 0.390641 0.318433 -0.720433 0.404654 0.314036 -0.715118 0.418583 0.304872 -0.671134 0.356195 0.305793 -0.762148 0.387915 0.363402 -0.766252 0.381162 0.383169 -0.750542 0.420372 0.299168 -0.849230 0.383032 0.448622 -0.704321 0.375509 0.306161 -0.796305 0.390877 0.342460 0.375557 -1.00000 5.6424 0.5766 -0.8946 5.7419 -185.7265 -211.9326 -160.9892 -9.9146 15.9587 -6.9804 0.4896 -25.7165 25.2269 -9.9146 15.9587 -6.9804 57.5152 -25.7355 -30.0145 23.1100 71.7290 48.1610 36.7646 -1.4783 -48.4568 4.5000 -5062.4771 -4896.2212 -2057.3919 19.9152 354.7001 -206.7574 -120.3921 115.2503 -90.5378 -1734.6775 -966.4567 -1216.2092 -33.4236 54.0946 -63.9555 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GALAPAGAR LAMSABHI 06-Nov-2024 0 Wavefunction 14H2OBF3OH CONF100 water -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.4948645 RMSD=2.151e-09 Dipole=1.4591545,0.3743125,1.6834352 Quadrupole=-2.0792428,-7.8193514,9.8985942,7.9452705,-5.6768109,-20.0922579 PG=C01 [X(B1F3H29O15)] 0 0.2402749297 1.1992831966 -1.3025673562 0 0.3618091255 0.9224047239 -2.6971091093 0 1.5593122403 1.4836877924 -0.8099872507 0 -0.553836552 2.3643394716 -1.1329782998 0 -0.3667326264 0.1100715168 -0.5915592406 0 -1.2266788884 3.3279349001 1.7827108643 0 3.2046129708 -0.5409842004 1.9198886565 0 -0.3802288479 -3.1547211601 -2.6978349995 0 0.4677704038 -2.6691096272 -2.6153769697 0 -2.5653117302 2.1669624776 2.250060235 0 -1.9274231183 1.4274766197 2.313756393 0 -0.723710736 -3.2318068279 -1.781619424 0 -2.9399123634 2.0832134212 1.3480650937 0 -0.4527978667 3.8134582521 1.4212853159 0 -0.4167043843 3.5213202736 0.4977653326 0 3.243636655 -0.2620488699 2.8551183814 0 2.6546412979 0.5094757575 2.8843107501 0 2.2188164104 -2.7075380882 3.7200132494 0 2.5667259682 -1.8049650274 3.5469063223 0 1.7260047982 -2.6363008236 4.5466500561 0 -1.8836227644 -0.9784436607 -3.5682371067 0 -1.3696362198 -1.7766749327 -3.3078295138 0 -1.2795155386 -0.2454792615 -3.380492446 0 2.6365326277 -1.0553210963 0.1454306065 0 1.877483667 -1.5144370042 0.5711057678 0 2.3109134034 -0.1627476084 -0.0514062108 0 -3.3865646993 1.9988635094 -0.4465406117 0 -3.4450641576 1.0408326915 -0.6280184045 0 -2.5081136097 2.2365860934 -0.781260064 0 -1.5116490919 -3.2469228683 -0.1425530417 0 -0.8169430476 -2.9584693198 0.4834310158 0 -2.0747466205 -2.4641067591 -0.2836602249 0 -0.5092468499 0.222940454 2.1371355823 0 0.26753794 0.7850243893 2.3311053704 0 -0.5509910252 0.2567966668 1.1553524404 0 1.6415108199 2.0943446704 2.0896398312 0 0.9407033376 2.7773466518 1.9913780657 0 1.8477561557 1.8641779691 1.1709127705 0 0.5408497253 -2.2961662473 1.5322967872 0 0.1495844954 -1.460051872 1.8639461999 0 1.0626753599 -2.6283476763 2.2937023332 0 1.9278058266 -1.5843727678 -2.5878287059 0 2.2361065012 -1.4970682694 -1.6643021695 0 1.5059396442 -0.7327063784 -2.777582635 0 -2.9333930649 -0.7892731797 -0.9129723418 0 -2.0500595018 -0.4154727139 -0.7034393767 0 0.0930846159 -0.7261101982 -0.7447237206 0 -2.8565835848 -0.9203076539 -1.8786092334 Gaussian 16 6-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(BF3H29O15)] 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 0 307.7972096 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2403,1.1993,-1.3026;.3618,.9224,-2.6971;1.5593,1.4837,-.81;-.5538,2.3643,-1.133;-.3667,.1101,-.5916;-1.2267,3.3279,1.7827;3.2046,-.541,1.9199;-.3802,-3.1547,-2.6978;.4678,-2.6691,-2.6154;-2.5653,2.167,2.2501;-1.9274,1.4275,2.3138;-.7237,-3.2318,-1.7816;-2.9399,2.0832,1.3481;-.4528,3.8135,1.4213;-.4167,3.5213,.4978;3.2436,-.262,2.8551;2.6546,.5095,2.8843;2.2188,-2.7075,3.72;2.5667,-1.805,3.5469;1.726,-2.6363,4.5466;-1.8836,-.9784,-3.5682;-1.3696,-1.7767,-3.3078;-1.2795,-.2455,-3.3805;2.6365,-1.0553,.1454;1.8775,-1.5144,.5711;2.3109,-.1627,-.0514;-3.3866,1.9989,-.4465;-3.4451,1.0408,-.628;-2.5081,2.2366,-.7813;-1.5116,-3.2469,-.1426;-.8169,-2.9585,.4834;-2.0747,-2.4641,-.2837;-.5092,.2229,2.1371;.2675,.785,2.3311;-.551,.2568,1.1554;1.6415,2.0943,2.0896;.9407,2.7773,1.9914;1.8478,1.8642,1.1709;.5409,-2.2962,1.5323;.1496,-1.4601,1.8639;1.0627,-2.6283,2.2937;1.9278,-1.5844,-2.5878;2.2361,-1.4971,-1.6643;1.5059,-.7327,-2.7776;-2.9334,-.7893,-.913;-2.0501,-.4155,-.7034;.0931,-.7261,-.7447;-2.8566,-.9203,-1.8786; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/water/CONF100/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 14H2OBF3OH CONF100 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 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 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 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 611 A 592 A 592 916 611 91 91 2119.2180255233 48 48 48 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) -0.0627589330 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.426947 0.000000 1.436447 2.304405 0.000000 1.420116 2.316050 2.311984 0.000000 1.435400 2.371497 2.375749 2.325912 0.000000 4.025177 5.327162 4.229075 3.143641 4.090393 0.000000 4.711693 5.616023 3.776047 5.646844 4.414267 5.884191 0.000000 4.614017 4.144101 5.370347 5.739246 3.885286 7.925692 6.403599 0.000000 4.091416 3.594007 4.657963 5.345727 3.537807 7.627508 5.708578 0.980674 0.000000 4.629134 5.881449 5.181050 3.940804 4.139970 1.832542 6.382321 7.587923 7.500644 0.000000 4.222415 5.532129 4.681694 3.826804 3.551362 2.093990 5.510695 6.964653 6.842173 0.978672 0.000000 4.559969 4.390211 5.328429 5.636173 3.565365 7.482489 6.031038 0.981516 1.559297 6.985173 6.319015 0.000000 4.233294 5.349044 5.025897 3.453689 3.778450 2.161809 6.705862 7.096284 7.064400 0.980273 1.545214 6.554076 0.000000 3.838442 5.097347 3.801972 2.938438 4.215925 0.982473 5.708452 8.094933 7.691929 2.803664 2.943456 7.743885 3.030651 0.000000 3.010760 4.191380 3.125189 2.004179 3.581305 1.531190 5.624828 7.401535 6.985368 3.085666 3.156624 7.134043 3.026176 0.969297 0.000000 5.333106 6.366717 4.395173 6.101117 5.005280 5.832818 0.976720 7.234310 6.589817 6.325352 5.466940 6.786652 6.782901 5.685883 5.767937 0.000000 4.882105 6.048127 3.974503 5.465662 4.622759 4.921573 1.528413 7.334652 6.718063 5.513388 4.707820 6.868869 6.011300 4.765808 4.919347 0.971091 0.000000 6.663647 7.602922 6.206627 7.547389 5.763128 7.214673 2.984326 6.938572 6.573036 6.986372 6.022226 6.261093 7.428992 7.412494 7.491831 2.789035 3.352241 0.000000 6.160785 7.161559 5.550914 7.001595 5.422125 6.621855 2.156788 7.035850 6.567046 6.617842 5.671571 6.423086 7.090550 6.723278 6.824033 1.821365 2.409024 0.982672 0.000000 7.150695 8.185198 6.759856 7.903307 6.190582 7.206234 3.671037 7.562245 7.271785 6.838206 5.903189 6.811955 7.367194 7.490960 7.674697 3.286572 3.677179 0.965021 1.548360 0.000000 3.792980 3.068233 5.052112 4.344308 3.513749 6.899936 7.496735 2.784596 3.048827 6.649125 6.355173 3.100813 5.887234 7.064341 6.239559 8.249940 8.027772 8.540396 8.432912 9.034893 0.000000 3.933093 3.264340 5.044593 4.748000 3.455973 7.210484 7.055475 1.802784 2.156848 6.918963 6.494609 2.205436 6.248349 7.379343 6.592373 7.845910 7.730711 7.945695 7.904628 8.486153 0.984463 0.000000 2.952097 2.127184 4.201959 3.519813 2.955966 6.279391 6.949012 3.120645 3.084217 6.259095 5.970179 3.432705 5.526209 6.341570 5.474861 7.703377 7.436081 8.289586 8.075545 8.808449 0.968210 1.535566 0.000000 3.594717 4.143163 2.918868 4.848388 3.304678 6.067786 1.932863 4.646772 3.863923 6.470839 5.629886 4.443180 6.511027 5.905657 5.512898 2.887952 3.154423 3.960044 3.483802 4.764377 5.850559 5.338047 5.331361 0.000000 3.681763 4.349333 3.316233 4.884683 3.004551 5.878127 2.127933 4.298113 3.670726 6.009161 5.115565 3.905238 6.062513 5.877030 5.534214 2.941354 3.170349 3.384615 3.068363 4.133579 5.618485 5.065441 5.214597 0.983942 0.000000 2.776342 3.460680 1.962422 3.970234 2.745175 5.297491 2.197218 4.816403 4.031498 5.873829 5.107475 4.649915 5.879969 5.061337 4.616692 3.054131 3.031248 4.550609 3.963606 5.253828 5.534220 5.172572 4.897024 0.970289 1.549983 0.000000 3.811309 4.502680 4.985900 2.937536 3.564821 3.376551 7.449459 6.376976 6.430375 2.823893 3.174085 6.019397 1.851276 3.922820 3.468380 7.744175 7.057550 8.422036 8.115319 8.517926 4.568170 5.148754 4.252623 6.779098 6.410077 6.106550 0.000000 3.749913 4.334449 5.027228 3.219604 3.216173 3.995458 7.294668 5.592855 5.746611 3.213327 3.332682 5.195383 2.290555 4.565168 4.073226 7.653003 7.058697 8.064441 7.853036 8.187702 3.893644 4.407623 3.730994 6.479036 6.024684 5.908669 0.976821 0.000000 2.983521 3.692426 4.136621 1.989780 3.023833 3.067094 6.902633 6.104699 6.023763 3.032659 3.251305 5.838504 2.178072 3.400302 2.767750 7.249073 6.563030 8.188388 7.798792 8.370150 4.300424 4.877084 3.798172 6.177604 5.927270 5.432542 0.969652 1.526822 0.000000 4.917684 5.236305 5.679344 5.777942 3.575172 6.856865 5.815402 2.796083 3.219756 6.012068 5.296823 1.818685 5.715963 7.308607 6.886075 6.364609 6.374199 5.396918 5.685464 5.730959 4.125491 3.492960 4.421176 4.700369 3.872601 4.912477 5.579067 4.728490 5.609791 0.000000 4.646978 5.154268 5.201181 5.569048 3.282413 6.432332 4.907194 3.217093 3.367021 5.696299 4.880551 2.283388 5.538335 6.846253 6.492154 5.420691 5.462853 4.444577 4.707937 4.804178 4.634039 4.009459 4.743858 3.957614 3.058243 4.229137 5.660649 4.912917 5.607861 0.978610 0.000000 4.451733 4.819751 5.391520 5.133069 3.104595 6.207806 6.035368 3.029287 3.455911 5.301622 4.681100 2.158366 4.908071 6.704132 6.259798 6.556385 6.422254 5.875657 6.054005 6.148761 3.610009 3.180463 3.891667 4.936086 4.153628 4.958247 4.654621 3.779015 4.746781 0.974572 1.553993 0.000000 3.653298 4.961644 3.814964 3.909120 2.734744 3.206449 3.797833 5.899338 5.648442 2.831850 1.869044 5.228567 3.160915 3.661618 3.684482 3.851603 3.263520 4.305292 3.944802 4.356302 5.990285 5.863990 5.590792 3.936594 3.341768 3.590512 4.255378 4.115100 4.070291 4.271035 3.598720 3.940973 0.000000 3.657312 5.030974 3.467459 3.894710 3.065914 2.999969 3.248662 6.421171 6.036458 3.152992 2.287116 5.833696 3.597138 3.243157 3.364021 3.198143 2.465811 4.234920 3.670488 4.329114 6.522235 6.406265 6.006468 3.711628 3.313163 3.278722 4.747756 4.754500 4.415664 5.053819 4.313206 4.783320 0.978242 0.000000 2.748773 4.014685 3.133880 3.110981 1.762719 3.206559 3.914784 5.149239 4.880287 2.984059 2.146382 4.563550 3.013284 3.567941 3.332802 4.190179 3.650921 4.799646 4.437404 5.005559 5.061030 4.972442 4.621355 3.591922 3.062042 3.134132 3.693418 3.488665 3.391219 3.857910 3.295473 3.434517 0.983253 1.526895 0.000000 3.777786 5.091566 2.964371 3.908672 3.893483 3.137270 3.068723 7.386477 6.797451 4.210506 3.637613 6.996343 4.641066 2.790731 2.967587 2.950484 2.041995 5.103869 4.264301 5.331327 7.340311 7.292769 6.627935 3.832807 3.922363 3.182239 5.632306 5.862491 5.047938 6.591983 5.844213 6.342129 2.851345 1.913224 3.009409 0.000000 3.719000 5.075218 3.147043 3.487955 3.936408 2.245937 4.017676 7.676132 7.149108 3.568141 3.186256 7.288053 3.994352 1.827670 2.151030 3.909920 2.979623 5.891156 5.105017 6.037689 7.279567 7.359238 6.551629 4.579596 4.616724 3.833353 5.027398 5.395524 4.458058 6.845401 6.185694 6.460772 2.940849 2.130238 3.045860 0.983503 0.000000 3.023935 4.249302 2.037630 3.365371 3.329738 3.459629 2.861264 6.717178 6.065562 4.553175 3.968473 6.426426 4.795949 3.025711 2.885659 3.050553 2.328522 5.247493 4.429997 5.627143 6.668075 6.608067 5.911495 3.193314 3.431573 2.411847 5.480183 5.650487 4.787825 6.255729 5.552583 6.019623 3.030299 2.237791 2.887543 0.969316 1.526363 0.000000 4.510540 5.317812 4.561892 5.479265 3.335334 5.900625 3.213491 4.413561 4.165048 5.484792 4.535258 3.668321 5.597197 6.190894 5.985843 3.632155 3.763998 2.787634 2.898983 3.256779 5.799130 5.229402 5.626237 2.802674 1.822520 3.192603 6.147167 5.629390 5.932501 2.814571 1.839121 3.188612 2.795430 3.194766 2.802110 4.560556 5.109909 4.375736 0.000000 4.136073 5.150181 4.219343 4.909412 2.959962 4.982521 3.190770 4.895146 4.650527 4.546975 3.585263 4.146313 4.729255 5.326230 5.196268 3.462772 3.345967 3.046790 2.965450 3.326494 5.820180 5.399588 5.569708 3.049920 2.158710 3.165899 5.459560 5.038433 5.265511 3.158899 2.255050 3.250844 1.827882 2.296196 1.985064 3.861414 4.312500 3.796655 0.980901 0.000000 5.316038 6.165002 5.175749 6.267549 4.226923 6.401528 3.014087 5.222498 4.945163 6.013252 5.038929 4.490388 6.254098 6.674926 6.575133 3.266673 3.567788 1.837742 2.123828 2.348583 6.764997 6.165926 6.584862 3.092978 2.207272 3.624475 6.979667 6.505310 6.772998 3.597933 2.630405 4.063642 3.259647 3.504961 3.496258 4.762406 5.415516 4.696786 0.981012 1.543807 0.000000 3.499771 2.957739 3.565039 4.885434 3.481543 7.292678 4.799835 2.793764 1.819098 7.593800 6.925284 3.224058 7.255145 7.132801 6.409814 5.753749 5.903965 6.413662 6.171860 7.214434 3.981876 3.380607 3.564809 2.872785 3.160109 2.932785 6.757753 6.292876 6.127055 4.535780 4.342168 4.701441 5.615238 5.706702 4.852396 5.957654 6.400633 5.101671 4.405194 4.795396 5.066328 0.000000 3.374094 3.230098 3.173769 4.793387 3.241674 6.866836 3.833866 3.265151 2.324917 7.197289 6.458552 3.432725 6.977388 6.704681 6.074221 4.792239 4.989115 5.518731 5.230756 6.335139 4.567944 3.972498 4.107479 1.905417 2.264058 2.094622 6.731932 6.307973 6.101439 4.407197 4.008686 4.628692 4.994630 5.004647 4.335252 5.229137 5.771715 4.414435 3.705496 4.099205 4.280483 0.977534 0.000000 2.740467 2.013679 2.964234 4.066829 2.999312 6.689715 4.998848 3.070854 2.203126 7.089454 6.509693 3.494107 6.687000 6.491129 5.702737 5.913411 5.909278 6.828390 6.501859 7.570765 3.489220 3.104830 2.891306 3.150607 3.458737 2.899116 6.068923 5.681418 5.377232 4.729747 4.580831 4.694540 5.397100 5.471365 4.547313 5.630315 5.948357 4.738276 4.685175 4.890043 5.432115 0.969182 1.535183 0.000000 3.765410 4.119629 5.036006 3.956762 2.738590 5.208741 6.764752 3.911486 4.242626 4.345065 4.041996 3.406349 3.655614 5.726015 5.187014 7.254803 6.879843 7.189545 7.153563 7.411409 2.861509 3.025829 3.019880 5.675832 5.086540 5.351409 2.862976 1.921534 3.058437 2.941929 3.336872 1.984534 4.025447 4.821661 3.323864 6.185522 6.013705 5.851732 4.507819 4.203091 5.443668 5.202748 5.271546 4.815355 0.000000 2.865663 3.403196 4.079918 3.185992 1.767004 4.568588 5.874452 3.777490 3.882506 3.956971 3.537651 3.294452 3.353199 4.994953 4.428214 6.380446 5.988463 6.560777 6.427351 6.837703 2.924330 3.016404 2.790923 4.805635 4.272913 4.416684 2.771509 2.018056 2.692450 2.936254 3.065301 2.091345 3.294016 4.002613 2.480778 5.265754 5.138171 4.889066 3.904912 3.538509 4.854770 4.554192 4.523751 4.128903 0.981789 0.000000 2.009974 2.569362 2.652789 3.181215 0.966484 4.956307 4.100736 3.152272 2.723046 4.940210 4.251434 2.832106 4.633696 5.059374 4.454697 4.806266 4.610655 5.327163 5.069607 5.857806 3.455904 3.132531 3.010368 2.714753 2.353072 2.390990 4.429713 3.956539 3.942732 3.048324 2.705539 2.816506 3.093318 3.431426 2.234106 4.287914 4.525364 3.668532 2.801855 2.710539 3.713576 2.738586 2.456124 2.475625 3.031809 2.165933 0.000000 3.796712 3.797839 5.140164 4.080137 2.986224 5.840327 7.163140 3.434540 3.827854 5.163525 4.894013 3.146678 4.409026 6.251082 5.597162 7.749462 7.423159 7.765208 7.722119 8.076429 1.950609 2.233170 2.279954 5.855706 5.363347 5.533136 3.294429 2.399241 3.360295 3.199356 3.727395 2.353391 4.789907 5.512712 3.988265 6.713269 6.562685 6.259693 5.006977 4.830641 5.973791 4.882044 5.129724 4.458134 0.977509 1.512073 3.166062 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9238,.6795,-1.4141;-1.9928,.0383,-2.1087;.2431,.5789,-2.2457;-1.2369,2.056,-1.2592;-.7028,.1,-.1196;.7585,3.894,.3292;3.4073,-1.1536,-1.1299;-2.4513,-3.352,.23;-1.89,-3.2035,-.5603;.3569,3.4548,2.0624;.7728,2.5753,1.9558;-1.9034,-3.0675,.993;-.5961,3.2902,1.9021;.9149,3.9584,-.6386;.1806,3.4523,-1.0182;4.1946,-.6837,-.7933;3.883,.23,-.688;4.2898,-2.2904,1.4845;4.3563,-1.6499,.7422;4.6793,-1.8409,2.2444;-4.0158,-1.0702,-.0857;-3.5116,-1.9083,.0267;-3.508,-.5848,-.7519;1.6279,-1.8525,-1.4145;1.5326,-1.8826,-.4356;1.2852,-.9823,-1.6729;-2.3187,2.9282,1.3288;-2.5073,2.0442,1.6991;-2.0817,2.7389,.4078;-1.0227,-2.3852,2.4305;-.1082,-2.2221,2.1228;-1.4581,-1.5134,2.423;1.4409,.935,1.3589;2.0525,1.2059,.6451;.6163,.7352,.862;2.6598,1.8219,-1.0615;2.1789,2.6649,-.902;2.0282,1.3108,-1.5901;1.5376,-1.8586,1.3867;1.5875,-.8831,1.477;2.4582,-2.156,1.5494;-1.0151,-2.7531,-2.0903;-.0829,-2.5559,-1.8719;-1.408,-1.8829,-2.2567;-2.4564,.1445,1.9834;-1.7718,.2116,1.2829;-.5675,-.8558,-.1668;-3.2004,-.2424,1.4811; 0.2244633 0.2069939 0.1607510 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= 592 RedAO= T EigKep= 1.10D-04 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 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= 598 598 598 598 598 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.49486452222 -1471.49486452 1 1.466646071602e+03 -7.737581987926e+03 2.680274110091e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 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. PT33824.700S Wed Nov 6 02:19:37 2024 -24.65511 -24.65107 -24.65100 -19.12595 -19.12536 -19.12281 -19.12244 -19.12243 -19.12168 -19.12148 -19.12033 -19.12001 -19.11879 -19.11750 -19.11559 -19.11518 -19.11165 -19.10862 -6.86224 -1.20558 -1.16460 -1.16003 -1.02929 -1.02212 -1.01979 -1.01545 -1.01465 -1.01173 -1.01126 -1.00756 -1.00527 -1.00300 -1.00195 -0.99729 -0.99511 -0.99014 -0.98670 -0.58491 -0.54544 -0.54032 -0.53830 -0.53371 -0.53149 -0.52978 -0.52770 -0.52592 -0.52546 -0.52118 -0.52046 -0.51882 -0.51717 -0.51490 -0.51443 -0.50379 -0.49995 -0.44569 -0.43384 -0.42845 -0.42735 -0.42144 -0.41798 -0.41396 -0.41373 -0.41087 -0.40705 -0.40330 -0.39966 -0.39953 -0.39675 -0.39404 -0.38775 -0.38461 -0.38305 -0.38160 -0.37666 -0.36124 -0.32852 -0.32665 -0.32433 -0.32267 -0.32107 -0.32059 -0.31990 -0.31967 -0.31868 -0.31696 -0.31600 -0.31515 -0.31363 -0.31110 -0.30919 -0.00726 0.01994 0.02249 0.02763 0.04973 0.06090 0.06783 0.06889 0.07147 0.08385 0.09755 0.09863 0.10596 0.11016 0.11314 0.11547 0.11586 0.12945 0.13104 0.13666 0.14154 0.14512 0.14803 0.15118 0.15339 0.15670 0.15860 0.16326 0.16621 0.17154 0.17358 0.18058 0.18274 0.18974 0.19038 0.19606 0.19860 0.19992 0.20405 0.20593 0.20975 0.21296 0.21647 0.22134 0.22323 0.22683 0.23022 0.23591 0.24095 0.24402 0.24859 0.24906 0.25127 0.25205 0.25511 0.25804 0.26104 0.26132 0.26413 0.26654 0.26925 0.26979 0.27154 0.27342 0.27662 0.27777 0.28148 0.28474 0.28778 0.28930 0.29282 0.29907 0.30052 0.30465 0.31076 0.31692 0.32346 0.33584 0.33802 0.35187 0.35751 0.36301 0.36891 0.37190 0.37660 0.39274 0.39768 0.41509 0.41688 0.43702 0.44635 0.45534 0.45816 0.47626 0.48342 0.48553 0.49237 0.49661 0.49805 0.50137 0.51330 0.51917 0.52231 0.52372 0.53099 0.53577 0.53910 0.54498 0.55314 0.55626 0.55891 0.56036 0.56391 0.57224 0.57926 0.58156 0.58439 0.58690 0.59438 0.60450 0.61233 0.61436 0.62304 0.62829 0.64177 0.64663 0.64957 0.65937 0.66830 0.67310 0.67548 0.68250 0.68317 0.69024 0.69633 0.70545 0.71879 0.72651 0.74184 0.77261 0.77744 0.82610 0.92383 0.95323 0.96147 0.96438 0.97825 0.98163 0.98302 0.99487 0.99776 1.00463 1.01674 1.01895 1.02015 1.02788 1.02904 1.03516 1.03696 1.04351 1.05253 1.05743 1.05839 1.06260 1.06498 1.06602 1.06781 1.07990 1.08605 1.08731 1.09185 1.09804 1.09986 1.10265 1.10854 1.11245 1.11546 1.12665 1.13334 1.14348 1.14518 1.15851 1.16871 1.17803 1.19391 1.20107 1.21331 1.23349 1.24205 1.25615 1.26010 1.26903 1.28022 1.28776 1.29459 1.29972 1.30468 1.31288 1.32401 1.33106 1.33139 1.33732 1.34240 1.35107 1.35826 1.35987 1.36689 1.37218 1.37491 1.37887 1.39101 1.39198 1.39903 1.40712 1.40880 1.41659 1.42275 1.43117 1.43846 1.44313 1.45434 1.45564 1.46378 1.46610 1.47372 1.47626 1.48432 1.49321 1.49936 1.50909 1.51575 1.52298 1.53393 1.53857 1.54774 1.55048 1.55810 1.56533 1.56860 1.58079 1.58739 1.59411 1.60565 1.61097 1.61537 1.62952 1.64096 1.64718 1.65741 1.66297 1.66544 1.67645 1.68879 1.69285 1.70018 1.70425 1.71373 1.72172 1.72956 1.74919 1.75444 1.76483 1.77533 1.78372 1.78659 1.79211 1.80033 1.81884 1.83230 1.83565 1.85614 1.86353 1.88299 1.91260 2.02858 2.05860 2.08053 2.11221 2.13946 2.16279 2.17334 2.18278 2.20676 2.20834 2.22960 2.23597 2.24856 2.26788 2.27487 2.27878 2.28736 2.30558 2.31010 2.32218 2.33195 2.34574 2.36141 2.36728 2.37437 2.38653 2.38799 2.40637 2.41530 2.42783 2.43223 2.45481 2.48125 2.49372 2.53818 2.57329 2.62200 2.62999 2.65881 2.68262 2.69192 2.70183 2.70755 2.71878 2.72656 2.73133 2.73710 2.74129 2.74801 2.76066 2.76460 2.77585 2.78100 2.79465 2.79912 2.80528 2.81632 2.83286 2.84564 2.85549 2.87776 2.89277 2.92067 2.95715 3.08487 3.08803 3.09365 3.09894 3.10055 3.10347 3.10844 3.10978 3.11326 3.12750 3.12936 3.13279 3.13670 3.14059 3.14285 3.14491 3.14984 3.15161 3.15776 3.15911 3.16037 3.16934 3.17043 3.17343 3.17775 3.18450 3.19829 3.21275 3.21878 3.23284 3.25772 3.32052 3.32459 3.32768 3.33680 3.34177 3.35281 3.35405 3.36648 3.37145 3.38719 3.39496 3.39693 3.40264 3.41378 3.57309 3.67541 3.68381 3.69652 3.70981 3.71202 3.71667 3.73284 3.73962 3.75773 3.77158 3.78164 3.79059 3.79961 3.80500 3.81940 3.81974 3.83084 3.84502 3.85911 3.87588 3.89404 3.91455 3.91802 3.92280 3.93231 3.93666 3.94244 3.94617 3.94867 3.95210 3.95839 3.96126 3.96820 3.98421 3.98529 4.00380 4.01854 4.02621 4.09604 4.21741 4.23294 4.39111 4.65402 4.66595 5.01418 5.02728 5.03701 5.04470 5.04740 5.05509 5.06027 5.06075 5.06828 5.07638 5.14118 5.15893 5.20173 5.23516 5.27257 5.35163 5.36072 5.37592 5.39335 5.40747 5.42268 5.43223 5.43699 5.44531 5.45698 5.47902 5.49992 5.51533 5.51811 5.56676 5.59497 5.65981 5.67003 5.68591 5.69695 5.70336 5.70577 5.72123 5.72671 5.74037 5.74470 5.75647 5.76286 5.76372 5.78951 6.40100 6.41439 6.41925 6.45087 6.45417 6.49977 6.52824 6.65026 6.67226 14.58564 49.87790 49.90210 49.91281 49.91474 49.92057 49.92616 49.93604 49.93923 49.94105 49.94961 49.95756 49.96354 49.97454 49.98195 49.99962 66.86352 66.86959 66.88103 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 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 0.986193 -0.397917 -0.447889 -0.444117 -0.879190 0.386762 0.359253 -0.846915 0.413002 -0.794623 0.387202 0.420420 0.392571 -0.722839 0.323735 -0.700614 0.354146 -0.724310 0.390641 0.318433 -0.720433 0.404654 0.314036 -0.715118 0.418583 0.304872 -0.671134 0.356195 0.305793 -0.762148 0.387915 0.363402 -0.766252 0.381162 0.383169 -0.750542 0.420372 0.299168 -0.849230 0.383032 0.448622 -0.704321 0.375509 0.306161 -0.796305 0.390877 0.342460 0.375557 -1.00000 5.6424 0.5766 -0.8946 5.7419 -185.7265 -211.9326 -160.9892 -9.9146 15.9587 -6.9804 0.4896 -25.7165 25.2269 -9.9146 15.9587 -6.9804 57.5152 -25.7355 -30.0145 23.1100 71.7290 48.1610 36.7646 -1.4783 -48.4568 4.5000 -5062.4771 -4896.2212 -2057.3919 19.9152 354.7001 -206.7574 -120.3921 115.2503 -90.5378 -1734.6775 -966.4567 -1216.2092 -33.4236 54.0946 -63.9555 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GALAPAGAR LAMSABHI 06-Nov-2024 0 Wavefunction 14H2OBF3OH CONF100 water -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.4948645 RMSD=2.151e-09 Dipole=1.4591545,0.3743125,1.6834352 Quadrupole=-2.0792428,-7.8193514,9.8985942,7.9452705,-5.6768109,-20.0922579 PG=C01 [X(B1F3H29O15)] 0 0.2402749297 1.1992831966 -1.3025673562 0 0.3618091255 0.9224047239 -2.6971091093 0 1.5593122403 1.4836877924 -0.8099872507 0 -0.553836552 2.3643394716 -1.1329782998 0 -0.3667326264 0.1100715168 -0.5915592406 0 -1.2266788884 3.3279349001 1.7827108643 0 3.2046129708 -0.5409842004 1.9198886565 0 -0.3802288479 -3.1547211601 -2.6978349995 0 0.4677704038 -2.6691096272 -2.6153769697 0 -2.5653117302 2.1669624776 2.250060235 0 -1.9274231183 1.4274766197 2.313756393 0 -0.723710736 -3.2318068279 -1.781619424 0 -2.9399123634 2.0832134212 1.3480650937 0 -0.4527978667 3.8134582521 1.4212853159 0 -0.4167043843 3.5213202736 0.4977653326 0 3.243636655 -0.2620488699 2.8551183814 0 2.6546412979 0.5094757575 2.8843107501 0 2.2188164104 -2.7075380882 3.7200132494 0 2.5667259682 -1.8049650274 3.5469063223 0 1.7260047982 -2.6363008236 4.5466500561 0 -1.8836227644 -0.9784436607 -3.5682371067 0 -1.3696362198 -1.7766749327 -3.3078295138 0 -1.2795155386 -0.2454792615 -3.380492446 0 2.6365326277 -1.0553210963 0.1454306065 0 1.877483667 -1.5144370042 0.5711057678 0 2.3109134034 -0.1627476084 -0.0514062108 0 -3.3865646993 1.9988635094 -0.4465406117 0 -3.4450641576 1.0408326915 -0.6280184045 0 -2.5081136097 2.2365860934 -0.781260064 0 -1.5116490919 -3.2469228683 -0.1425530417 0 -0.8169430476 -2.9584693198 0.4834310158 0 -2.0747466205 -2.4641067591 -0.2836602249 0 -0.5092468499 0.222940454 2.1371355823 0 0.26753794 0.7850243893 2.3311053704 0 -0.5509910252 0.2567966668 1.1553524404 0 1.6415108199 2.0943446704 2.0896398312 0 0.9407033376 2.7773466518 1.9913780657 0 1.8477561557 1.8641779691 1.1709127705 0 0.5408497253 -2.2961662473 1.5322967872 0 0.1495844954 -1.460051872 1.8639461999 0 1.0626753599 -2.6283476763 2.2937023332 0 1.9278058266 -1.5843727678 -2.5878287059 0 2.2361065012 -1.4970682694 -1.6643021695 0 1.5059396442 -0.7327063784 -2.777582635 0 -2.9333930649 -0.7892731797 -0.9129723418 0 -2.0500595018 -0.4154727139 -0.7034393767 0 0.0930846159 -0.7261101982 -0.7447237206 0 -2.8565835848 -0.9203076539 -1.8786092334 Gaussian 16 6-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(BF3H29O15)] 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 0 307.7972096 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2403,1.1993,-1.3026;.3618,.9224,-2.6971;1.5593,1.4837,-.81;-.5538,2.3643,-1.133;-.3667,.1101,-.5916;-1.2267,3.3279,1.7827;3.2046,-.541,1.9199;-.3802,-3.1547,-2.6978;.4678,-2.6691,-2.6154;-2.5653,2.167,2.2501;-1.9274,1.4275,2.3138;-.7237,-3.2318,-1.7816;-2.9399,2.0832,1.3481;-.4528,3.8135,1.4213;-.4167,3.5213,.4978;3.2436,-.262,2.8551;2.6546,.5095,2.8843;2.2188,-2.7075,3.72;2.5667,-1.805,3.5469;1.726,-2.6363,4.5466;-1.8836,-.9784,-3.5682;-1.3696,-1.7767,-3.3078;-1.2795,-.2455,-3.3805;2.6365,-1.0553,.1454;1.8775,-1.5144,.5711;2.3109,-.1627,-.0514;-3.3866,1.9989,-.4465;-3.4451,1.0408,-.628;-2.5081,2.2366,-.7813;-1.5116,-3.2469,-.1426;-.8169,-2.9585,.4834;-2.0747,-2.4641,-.2837;-.5092,.2229,2.1371;.2675,.785,2.3311;-.551,.2568,1.1554;1.6415,2.0943,2.0896;.9407,2.7773,1.9914;1.8478,1.8642,1.1709;.5409,-2.2962,1.5323;.1496,-1.4601,1.8639;1.0627,-2.6283,2.2937;1.9278,-1.5844,-2.5878;2.2361,-1.4971,-1.6643;1.5059,-.7327,-2.7776;-2.9334,-.7893,-.913;-2.0501,-.4155,-.7034;.0931,-.7261,-.7447;-2.8566,-.9203,-1.8786; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/water/CONF100/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 14H2OBF3OH CONF100 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 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 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 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1116 A 1002 A 1002 1421 1116 91 91 2119.2180255233 48 48 48 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) -0.0627589330 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.426947 0.000000 1.436447 2.304405 0.000000 1.420116 2.316050 2.311984 0.000000 1.435400 2.371497 2.375749 2.325912 0.000000 4.025177 5.327162 4.229075 3.143641 4.090393 0.000000 4.711693 5.616023 3.776047 5.646844 4.414267 5.884191 0.000000 4.614017 4.144101 5.370347 5.739246 3.885286 7.925692 6.403599 0.000000 4.091416 3.594007 4.657963 5.345727 3.537807 7.627508 5.708578 0.980674 0.000000 4.629134 5.881449 5.181050 3.940804 4.139970 1.832542 6.382321 7.587923 7.500644 0.000000 4.222415 5.532129 4.681694 3.826804 3.551362 2.093990 5.510695 6.964653 6.842173 0.978672 0.000000 4.559969 4.390211 5.328429 5.636173 3.565365 7.482489 6.031038 0.981516 1.559297 6.985173 6.319015 0.000000 4.233294 5.349044 5.025897 3.453689 3.778450 2.161809 6.705862 7.096284 7.064400 0.980273 1.545214 6.554076 0.000000 3.838442 5.097347 3.801972 2.938438 4.215925 0.982473 5.708452 8.094933 7.691929 2.803664 2.943456 7.743885 3.030651 0.000000 3.010760 4.191380 3.125189 2.004179 3.581305 1.531190 5.624828 7.401535 6.985368 3.085666 3.156624 7.134043 3.026176 0.969297 0.000000 5.333106 6.366717 4.395173 6.101117 5.005280 5.832818 0.976720 7.234310 6.589817 6.325352 5.466940 6.786652 6.782901 5.685883 5.767937 0.000000 4.882105 6.048127 3.974503 5.465662 4.622759 4.921573 1.528413 7.334652 6.718063 5.513388 4.707820 6.868869 6.011300 4.765808 4.919347 0.971091 0.000000 6.663647 7.602922 6.206627 7.547389 5.763128 7.214673 2.984326 6.938572 6.573036 6.986372 6.022226 6.261093 7.428992 7.412494 7.491831 2.789035 3.352241 0.000000 6.160785 7.161559 5.550914 7.001595 5.422125 6.621855 2.156788 7.035850 6.567046 6.617842 5.671571 6.423086 7.090550 6.723278 6.824033 1.821365 2.409024 0.982672 0.000000 7.150695 8.185198 6.759856 7.903307 6.190582 7.206234 3.671037 7.562245 7.271785 6.838206 5.903189 6.811955 7.367194 7.490960 7.674697 3.286572 3.677179 0.965021 1.548360 0.000000 3.792980 3.068233 5.052112 4.344308 3.513749 6.899936 7.496735 2.784596 3.048827 6.649125 6.355173 3.100813 5.887234 7.064341 6.239559 8.249940 8.027772 8.540396 8.432912 9.034893 0.000000 3.933093 3.264340 5.044593 4.748000 3.455973 7.210484 7.055475 1.802784 2.156848 6.918963 6.494609 2.205436 6.248349 7.379343 6.592373 7.845910 7.730711 7.945695 7.904628 8.486153 0.984463 0.000000 2.952097 2.127184 4.201959 3.519813 2.955966 6.279391 6.949012 3.120645 3.084217 6.259095 5.970179 3.432705 5.526209 6.341570 5.474861 7.703377 7.436081 8.289586 8.075545 8.808449 0.968210 1.535566 0.000000 3.594717 4.143163 2.918868 4.848388 3.304678 6.067786 1.932863 4.646772 3.863923 6.470839 5.629886 4.443180 6.511027 5.905657 5.512898 2.887952 3.154423 3.960044 3.483802 4.764377 5.850559 5.338047 5.331361 0.000000 3.681763 4.349333 3.316233 4.884683 3.004551 5.878127 2.127933 4.298113 3.670726 6.009161 5.115565 3.905238 6.062513 5.877030 5.534214 2.941354 3.170349 3.384615 3.068363 4.133579 5.618485 5.065441 5.214597 0.983942 0.000000 2.776342 3.460680 1.962422 3.970234 2.745175 5.297491 2.197218 4.816403 4.031498 5.873829 5.107475 4.649915 5.879969 5.061337 4.616692 3.054131 3.031248 4.550609 3.963606 5.253828 5.534220 5.172572 4.897024 0.970289 1.549983 0.000000 3.811309 4.502680 4.985900 2.937536 3.564821 3.376551 7.449459 6.376976 6.430375 2.823893 3.174085 6.019397 1.851276 3.922820 3.468380 7.744175 7.057550 8.422036 8.115319 8.517926 4.568170 5.148754 4.252623 6.779098 6.410077 6.106550 0.000000 3.749913 4.334449 5.027228 3.219604 3.216173 3.995458 7.294668 5.592855 5.746611 3.213327 3.332682 5.195383 2.290555 4.565168 4.073226 7.653003 7.058697 8.064441 7.853036 8.187702 3.893644 4.407623 3.730994 6.479036 6.024684 5.908669 0.976821 0.000000 2.983521 3.692426 4.136621 1.989780 3.023833 3.067094 6.902633 6.104699 6.023763 3.032659 3.251305 5.838504 2.178072 3.400302 2.767750 7.249073 6.563030 8.188388 7.798792 8.370150 4.300424 4.877084 3.798172 6.177604 5.927270 5.432542 0.969652 1.526822 0.000000 4.917684 5.236305 5.679344 5.777942 3.575172 6.856865 5.815402 2.796083 3.219756 6.012068 5.296823 1.818685 5.715963 7.308607 6.886075 6.364609 6.374199 5.396918 5.685464 5.730959 4.125491 3.492960 4.421176 4.700369 3.872601 4.912477 5.579067 4.728490 5.609791 0.000000 4.646978 5.154268 5.201181 5.569048 3.282413 6.432332 4.907194 3.217093 3.367021 5.696299 4.880551 2.283388 5.538335 6.846253 6.492154 5.420691 5.462853 4.444577 4.707937 4.804178 4.634039 4.009459 4.743858 3.957614 3.058243 4.229137 5.660649 4.912917 5.607861 0.978610 0.000000 4.451733 4.819751 5.391520 5.133069 3.104595 6.207806 6.035368 3.029287 3.455911 5.301622 4.681100 2.158366 4.908071 6.704132 6.259798 6.556385 6.422254 5.875657 6.054005 6.148761 3.610009 3.180463 3.891667 4.936086 4.153628 4.958247 4.654621 3.779015 4.746781 0.974572 1.553993 0.000000 3.653298 4.961644 3.814964 3.909120 2.734744 3.206449 3.797833 5.899338 5.648442 2.831850 1.869044 5.228567 3.160915 3.661618 3.684482 3.851603 3.263520 4.305292 3.944802 4.356302 5.990285 5.863990 5.590792 3.936594 3.341768 3.590512 4.255378 4.115100 4.070291 4.271035 3.598720 3.940973 0.000000 3.657312 5.030974 3.467459 3.894710 3.065914 2.999969 3.248662 6.421171 6.036458 3.152992 2.287116 5.833696 3.597138 3.243157 3.364021 3.198143 2.465811 4.234920 3.670488 4.329114 6.522235 6.406265 6.006468 3.711628 3.313163 3.278722 4.747756 4.754500 4.415664 5.053819 4.313206 4.783320 0.978242 0.000000 2.748773 4.014685 3.133880 3.110981 1.762719 3.206559 3.914784 5.149239 4.880287 2.984059 2.146382 4.563550 3.013284 3.567941 3.332802 4.190179 3.650921 4.799646 4.437404 5.005559 5.061030 4.972442 4.621355 3.591922 3.062042 3.134132 3.693418 3.488665 3.391219 3.857910 3.295473 3.434517 0.983253 1.526895 0.000000 3.777786 5.091566 2.964371 3.908672 3.893483 3.137270 3.068723 7.386477 6.797451 4.210506 3.637613 6.996343 4.641066 2.790731 2.967587 2.950484 2.041995 5.103869 4.264301 5.331327 7.340311 7.292769 6.627935 3.832807 3.922363 3.182239 5.632306 5.862491 5.047938 6.591983 5.844213 6.342129 2.851345 1.913224 3.009409 0.000000 3.719000 5.075218 3.147043 3.487955 3.936408 2.245937 4.017676 7.676132 7.149108 3.568141 3.186256 7.288053 3.994352 1.827670 2.151030 3.909920 2.979623 5.891156 5.105017 6.037689 7.279567 7.359238 6.551629 4.579596 4.616724 3.833353 5.027398 5.395524 4.458058 6.845401 6.185694 6.460772 2.940849 2.130238 3.045860 0.983503 0.000000 3.023935 4.249302 2.037630 3.365371 3.329738 3.459629 2.861264 6.717178 6.065562 4.553175 3.968473 6.426426 4.795949 3.025711 2.885659 3.050553 2.328522 5.247493 4.429997 5.627143 6.668075 6.608067 5.911495 3.193314 3.431573 2.411847 5.480183 5.650487 4.787825 6.255729 5.552583 6.019623 3.030299 2.237791 2.887543 0.969316 1.526363 0.000000 4.510540 5.317812 4.561892 5.479265 3.335334 5.900625 3.213491 4.413561 4.165048 5.484792 4.535258 3.668321 5.597197 6.190894 5.985843 3.632155 3.763998 2.787634 2.898983 3.256779 5.799130 5.229402 5.626237 2.802674 1.822520 3.192603 6.147167 5.629390 5.932501 2.814571 1.839121 3.188612 2.795430 3.194766 2.802110 4.560556 5.109909 4.375736 0.000000 4.136073 5.150181 4.219343 4.909412 2.959962 4.982521 3.190770 4.895146 4.650527 4.546975 3.585263 4.146313 4.729255 5.326230 5.196268 3.462772 3.345967 3.046790 2.965450 3.326494 5.820180 5.399588 5.569708 3.049920 2.158710 3.165899 5.459560 5.038433 5.265511 3.158899 2.255050 3.250844 1.827882 2.296196 1.985064 3.861414 4.312500 3.796655 0.980901 0.000000 5.316038 6.165002 5.175749 6.267549 4.226923 6.401528 3.014087 5.222498 4.945163 6.013252 5.038929 4.490388 6.254098 6.674926 6.575133 3.266673 3.567788 1.837742 2.123828 2.348583 6.764997 6.165926 6.584862 3.092978 2.207272 3.624475 6.979667 6.505310 6.772998 3.597933 2.630405 4.063642 3.259647 3.504961 3.496258 4.762406 5.415516 4.696786 0.981012 1.543807 0.000000 3.499771 2.957739 3.565039 4.885434 3.481543 7.292678 4.799835 2.793764 1.819098 7.593800 6.925284 3.224058 7.255145 7.132801 6.409814 5.753749 5.903965 6.413662 6.171860 7.214434 3.981876 3.380607 3.564809 2.872785 3.160109 2.932785 6.757753 6.292876 6.127055 4.535780 4.342168 4.701441 5.615238 5.706702 4.852396 5.957654 6.400633 5.101671 4.405194 4.795396 5.066328 0.000000 3.374094 3.230098 3.173769 4.793387 3.241674 6.866836 3.833866 3.265151 2.324917 7.197289 6.458552 3.432725 6.977388 6.704681 6.074221 4.792239 4.989115 5.518731 5.230756 6.335139 4.567944 3.972498 4.107479 1.905417 2.264058 2.094622 6.731932 6.307973 6.101439 4.407197 4.008686 4.628692 4.994630 5.004647 4.335252 5.229137 5.771715 4.414435 3.705496 4.099205 4.280483 0.977534 0.000000 2.740467 2.013679 2.964234 4.066829 2.999312 6.689715 4.998848 3.070854 2.203126 7.089454 6.509693 3.494107 6.687000 6.491129 5.702737 5.913411 5.909278 6.828390 6.501859 7.570765 3.489220 3.104830 2.891306 3.150607 3.458737 2.899116 6.068923 5.681418 5.377232 4.729747 4.580831 4.694540 5.397100 5.471365 4.547313 5.630315 5.948357 4.738276 4.685175 4.890043 5.432115 0.969182 1.535183 0.000000 3.765410 4.119629 5.036006 3.956762 2.738590 5.208741 6.764752 3.911486 4.242626 4.345065 4.041996 3.406349 3.655614 5.726015 5.187014 7.254803 6.879843 7.189545 7.153563 7.411409 2.861509 3.025829 3.019880 5.675832 5.086540 5.351409 2.862976 1.921534 3.058437 2.941929 3.336872 1.984534 4.025447 4.821661 3.323864 6.185522 6.013705 5.851732 4.507819 4.203091 5.443668 5.202748 5.271546 4.815355 0.000000 2.865663 3.403196 4.079918 3.185992 1.767004 4.568588 5.874452 3.777490 3.882506 3.956971 3.537651 3.294452 3.353199 4.994953 4.428214 6.380446 5.988463 6.560777 6.427351 6.837703 2.924330 3.016404 2.790923 4.805635 4.272913 4.416684 2.771509 2.018056 2.692450 2.936254 3.065301 2.091345 3.294016 4.002613 2.480778 5.265754 5.138171 4.889066 3.904912 3.538509 4.854770 4.554192 4.523751 4.128903 0.981789 0.000000 2.009974 2.569362 2.652789 3.181215 0.966484 4.956307 4.100736 3.152272 2.723046 4.940210 4.251434 2.832106 4.633696 5.059374 4.454697 4.806266 4.610655 5.327163 5.069607 5.857806 3.455904 3.132531 3.010368 2.714753 2.353072 2.390990 4.429713 3.956539 3.942732 3.048324 2.705539 2.816506 3.093318 3.431426 2.234106 4.287914 4.525364 3.668532 2.801855 2.710539 3.713576 2.738586 2.456124 2.475625 3.031809 2.165933 0.000000 3.796712 3.797839 5.140164 4.080137 2.986224 5.840327 7.163140 3.434540 3.827854 5.163525 4.894013 3.146678 4.409026 6.251082 5.597162 7.749462 7.423159 7.765208 7.722119 8.076429 1.950609 2.233170 2.279954 5.855706 5.363347 5.533136 3.294429 2.399241 3.360295 3.199356 3.727395 2.353391 4.789907 5.512712 3.988265 6.713269 6.562685 6.259693 5.006977 4.830641 5.973791 4.882044 5.129724 4.458134 0.977509 1.512073 3.166062 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9238,.6795,-1.4141;-1.9928,.0383,-2.1087;.2431,.5789,-2.2457;-1.2369,2.056,-1.2592;-.7028,.1,-.1196;.7585,3.894,.3292;3.4073,-1.1536,-1.1299;-2.4513,-3.352,.23;-1.89,-3.2035,-.5603;.3569,3.4548,2.0624;.7728,2.5753,1.9558;-1.9034,-3.0675,.993;-.5961,3.2902,1.9021;.9149,3.9584,-.6386;.1806,3.4523,-1.0182;4.1946,-.6837,-.7933;3.883,.23,-.688;4.2898,-2.2904,1.4845;4.3563,-1.6499,.7422;4.6793,-1.8409,2.2444;-4.0158,-1.0702,-.0857;-3.5116,-1.9083,.0267;-3.508,-.5848,-.7519;1.6279,-1.8525,-1.4145;1.5326,-1.8826,-.4356;1.2852,-.9823,-1.6729;-2.3187,2.9282,1.3288;-2.5073,2.0442,1.6991;-2.0817,2.7389,.4078;-1.0227,-2.3852,2.4305;-.1082,-2.2221,2.1228;-1.4581,-1.5134,2.423;1.4409,.935,1.3589;2.0525,1.2059,.6451;.6163,.7352,.862;2.6598,1.8219,-1.0615;2.1789,2.6649,-.902;2.0282,1.3108,-1.5901;1.5376,-1.8586,1.3867;1.5875,-.8831,1.477;2.4582,-2.156,1.5494;-1.0151,-2.7531,-2.0903;-.0829,-2.5559,-1.8719;-1.408,-1.8829,-2.2567;-2.4564,.1445,1.9834;-1.7718,.2116,1.2829;-.5675,-.8558,-.1668;-3.2004,-.2424,1.4811; 0.2244633 0.2069939 0.1607510 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= 1002 RedAO= T EigKep= 2.88D-05 NBF= 1002 NBsUse= 1002 1.00D-06 EigRej= -1.00D+00 NBFU= 1002 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= 1079 1079 1079 1079 1079 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.50581787553 -1471.55776258082 -0.051944705287 -1471.55800476861 -0.000242187787 -1471.55816980176 -0.000165033155 -1471.55818524119 -0.000015439427 -1471.55818639283 -0.000001151644 -1471.55818643179 -0.000000038957 -1471.55818644765 -0.000000015858 -1471.55818644763 0.000000000016 -1471.55818645 9 1.466468718682e+03 -7.738545460901e+03 2.681351614061e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11322110188 LenY= 11320863616 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. PT6981.300S Wed Nov 6 02:34:14 2024 -24.65306 -24.64895 -24.64886 -19.12531 -19.12287 -19.12256 -19.12200 -19.12192 -19.12142 -19.12114 -19.11969 -19.11948 -19.11837 -19.11699 -19.11534 -19.11476 -19.11136 -19.10830 -6.85213 -1.20180 -1.16154 -1.15697 -1.02754 -1.02038 -1.01825 -1.01403 -1.01307 -1.01014 -1.00986 -1.00613 -1.00370 -1.00157 -1.00062 -0.99555 -0.99375 -0.98868 -0.98533 -0.58136 -0.54284 -0.53881 -0.53654 -0.53201 -0.53001 -0.52839 -0.52623 -0.52447 -0.52397 -0.51974 -0.51906 -0.51740 -0.51566 -0.51327 -0.51272 -0.50123 -0.49720 -0.44434 -0.43275 -0.42743 -0.42699 -0.42113 -0.41758 -0.41376 -0.41338 -0.41067 -0.40692 -0.40310 -0.39947 -0.39933 -0.39668 -0.39399 -0.38761 -0.38413 -0.38259 -0.38168 -0.37575 -0.35983 -0.32847 -0.32622 -0.32433 -0.32243 -0.32111 -0.32056 -0.31988 -0.31955 -0.31847 -0.31694 -0.31608 -0.31514 -0.31359 -0.31113 -0.30926 -0.00740 0.01943 0.02204 0.02710 0.04862 0.05994 0.06688 0.06788 0.07051 0.08255 0.09635 0.09733 0.10448 0.10796 0.11193 0.11334 0.11410 0.12802 0.12923 0.13482 0.13971 0.14260 0.14571 0.14932 0.15144 0.15447 0.15649 0.16018 0.16368 0.16780 0.17109 0.17693 0.17881 0.18684 0.18834 0.19175 0.19437 0.19644 0.20002 0.20196 0.20552 0.20860 0.21247 0.21604 0.21989 0.22191 0.22461 0.23110 0.23546 0.23884 0.24237 0.24345 0.24653 0.24930 0.24959 0.25131 0.25507 0.25672 0.26001 0.26212 0.26500 0.26558 0.26801 0.27095 0.27211 0.27398 0.27755 0.27782 0.28124 0.28412 0.28614 0.28812 0.29378 0.29482 0.29796 0.30354 0.31554 0.32066 0.32572 0.33598 0.34033 0.34524 0.35640 0.35970 0.36249 0.37341 0.38099 0.39439 0.40064 0.40907 0.41939 0.42751 0.43434 0.43877 0.44262 0.45427 0.46175 0.46621 0.46973 0.47446 0.47715 0.48335 0.49293 0.49945 0.50000 0.50624 0.50700 0.51345 0.51733 0.52399 0.52514 0.52699 0.53014 0.53348 0.53508 0.53890 0.54603 0.55131 0.55417 0.55857 0.56383 0.56831 0.57123 0.57209 0.57922 0.58297 0.58740 0.59728 0.60080 0.60714 0.60777 0.61415 0.62125 0.63056 0.63292 0.63684 0.64524 0.64648 0.65086 0.65346 0.66335 0.66731 0.67110 0.67375 0.67959 0.68620 0.69367 0.69914 0.70262 0.70632 0.71618 0.71758 0.71836 0.72636 0.72936 0.74104 0.74349 0.74786 0.75434 0.75728 0.76039 0.76633 0.77513 0.78114 0.78400 0.78712 0.79155 0.79976 0.80038 0.80709 0.81385 0.82176 0.83087 0.83534 0.84427 0.85223 0.85716 0.86856 0.87541 0.88027 0.88698 0.89262 0.89889 0.90230 0.90635 0.91473 0.91915 0.92192 0.92474 0.92920 0.93288 0.93577 0.94116 0.94868 0.95415 0.96193 0.96371 0.96967 0.97595 0.97866 0.98198 0.98301 0.98346 0.98853 0.99220 0.99723 1.00054 1.00737 1.00976 1.01257 1.01541 1.02485 1.02683 1.02969 1.03413 1.03916 1.04234 1.04602 1.05006 1.05290 1.05552 1.05964 1.06292 1.06407 1.06873 1.07039 1.07886 1.08017 1.08662 1.08987 1.09257 1.09674 1.10077 1.10314 1.11120 1.12240 1.12542 1.12957 1.13534 1.14032 1.14215 1.14445 1.15031 1.15584 1.15682 1.16513 1.17046 1.17534 1.17692 1.18307 1.18649 1.19062 1.19615 1.20077 1.20796 1.20953 1.21539 1.22782 1.23195 1.23498 1.23874 1.24486 1.24945 1.25589 1.26499 1.26912 1.27681 1.28147 1.29154 1.29581 1.29864 1.30085 1.30491 1.31305 1.31856 1.31990 1.32669 1.33642 1.34006 1.34574 1.34996 1.35355 1.35952 1.36852 1.37027 1.37478 1.37983 1.38026 1.39144 1.39682 1.40345 1.41477 1.41826 1.42486 1.42740 1.43558 1.45051 1.45420 1.45439 1.45824 1.46382 1.47049 1.47827 1.48079 1.49504 1.49736 1.50587 1.50936 1.51946 1.52226 1.53253 1.53918 1.54676 1.55037 1.55292 1.56308 1.56755 1.56980 1.58569 1.59029 1.60088 1.60671 1.61610 1.62369 1.62600 1.63980 1.64810 1.66081 1.66364 1.66554 1.67200 1.68154 1.68936 1.69269 1.70204 1.70581 1.72173 1.72802 1.73939 1.74863 1.76184 1.77201 1.77331 1.77765 1.78605 1.79846 1.81134 1.82602 1.85228 1.85522 1.86498 1.86628 1.88847 1.90657 1.91224 1.92929 1.94542 1.95626 1.96801 1.98856 1.99619 2.00708 2.01093 2.02784 2.03700 2.04717 2.06724 2.07163 2.07962 2.08547 2.09463 2.11419 2.12420 2.13806 2.15228 2.15914 2.16317 2.16952 2.18302 2.20496 2.20667 2.21792 2.22549 2.23573 2.24688 2.25303 2.25869 2.26902 2.27615 2.28329 2.28953 2.30386 2.30548 2.31670 2.32798 2.32891 2.34790 2.36119 2.36932 2.39516 2.48766 2.55198 2.58785 2.64105 2.69958 2.71704 2.72826 2.73996 2.74265 2.75712 2.76074 2.76829 2.77073 2.77750 2.78722 2.79011 2.79823 2.81790 2.82362 2.82809 2.83553 2.84576 2.86671 2.87644 2.87931 2.88963 2.90429 2.91604 2.93521 2.94447 2.97487 2.99897 3.01344 3.03017 3.06097 3.08174 3.10619 3.12292 3.13727 3.15210 3.16996 3.18256 3.19208 3.19730 3.19963 3.21400 3.21690 3.22150 3.23049 3.23706 3.25494 3.26786 3.26941 3.27533 3.28387 3.29898 3.30065 3.30736 3.31419 3.31916 3.32343 3.33606 3.34131 3.35064 3.35528 3.37058 3.37537 3.38666 3.39465 3.39820 3.41103 3.41828 3.43078 3.43218 3.44193 3.44628 3.45725 3.46010 3.46720 3.47111 3.47386 3.48413 3.48738 3.49094 3.50077 3.50904 3.51173 3.52018 3.52080 3.53227 3.53984 3.54417 3.55632 3.56387 3.57065 3.57737 3.59290 3.59766 3.60351 3.60555 3.61364 3.61425 3.62479 3.63060 3.65067 3.65513 3.66786 3.67475 3.68953 3.73285 3.78055 3.78487 3.81387 3.82351 3.89689 3.91280 3.93212 3.93760 3.93796 3.94163 3.95043 3.96303 3.97566 3.98335 3.99372 4.01161 4.02700 4.03336 4.05099 4.07679 4.08100 4.11297 4.11584 4.11993 4.13540 4.13846 4.14805 4.15427 4.15731 4.16428 4.17599 4.18853 4.19174 4.19596 4.20354 4.21197 4.21637 4.22781 4.23086 4.24585 4.25701 4.26018 4.26949 4.28056 4.28817 4.29945 4.31666 4.33014 4.33751 4.34533 4.35541 4.37375 4.38243 4.38540 4.38905 4.39728 4.40634 4.43248 4.44107 4.45619 4.46449 4.47432 4.50170 4.64252 4.65839 4.67282 4.69604 4.70835 4.71857 4.72339 4.73327 4.74709 4.74796 4.74916 4.76339 4.77557 4.78225 4.79369 4.80056 4.80316 4.80684 4.81976 4.82720 4.83910 4.84848 4.86106 4.86420 4.87995 4.88804 4.90264 4.91351 4.92028 4.92457 4.93047 4.93351 4.93503 4.95124 4.96615 4.96807 4.99688 5.00737 5.01879 5.01982 5.02435 5.02681 5.03012 5.03275 5.03632 5.03804 5.04380 5.04689 5.05527 5.05718 5.06615 5.07253 5.07910 5.08592 5.09720 5.10493 5.13714 5.14727 5.16438 5.17597 5.18265 5.18875 5.19656 5.19979 5.20873 5.21459 5.22266 5.22913 5.23754 5.24512 5.25205 5.25842 5.26116 5.26298 5.27200 5.27740 5.28128 5.28773 5.28995 5.29888 5.30435 5.30814 5.31159 5.32037 5.32495 5.32970 5.33833 5.34407 5.34715 5.35000 5.35625 5.35973 5.36366 5.37190 5.38212 5.38571 5.39572 5.39637 5.40121 5.40569 5.41011 5.42145 5.42318 5.43350 5.43599 5.44208 5.44927 5.45467 5.45730 5.46087 5.46223 5.46947 5.47508 5.49546 5.50243 5.51392 5.53187 5.55344 5.56460 5.57922 5.58736 5.59017 5.59342 5.59571 5.59792 5.60044 5.60538 5.60806 5.61470 5.61814 5.62455 5.62624 5.63046 5.63696 5.64731 5.65626 5.65995 5.67023 5.67811 5.68111 5.68778 5.68830 5.69754 5.69921 5.71502 5.72164 5.73549 5.74094 5.74752 5.76842 5.78631 5.79063 5.79384 5.81194 5.82277 5.83482 5.84540 5.86048 5.87310 5.89643 5.90325 5.91509 5.92219 5.92933 5.93268 5.94489 5.99298 5.99657 6.01857 6.17597 6.52026 6.53910 6.56735 6.58548 6.61803 6.63348 6.65692 6.66630 6.67272 6.68399 6.70759 6.75336 6.76147 6.76877 6.78999 6.86107 6.87139 6.90895 6.94174 6.96857 6.97432 6.97662 6.98112 6.98548 6.99435 7.00611 7.00890 7.02365 7.02405 7.03559 7.04239 7.05130 7.05614 7.06383 7.06547 7.06781 7.07710 7.08215 7.09270 7.09687 7.10278 7.11101 7.11972 7.12947 7.13552 7.14069 7.15346 7.15837 7.16347 7.17562 7.28228 7.33285 7.37928 7.41092 7.48698 7.48877 7.68854 8.07077 8.08043 14.35583 14.37142 14.37238 14.37628 14.37778 14.37863 14.38092 14.38240 14.38495 14.38691 14.38943 14.39200 14.39310 14.39432 14.39772 14.39838 14.39964 14.40252 14.40498 14.40664 14.41206 14.41356 14.41937 14.42491 14.42589 14.43633 14.44561 14.45153 14.45891 14.46338 14.46527 14.46704 14.46955 14.47257 14.47996 14.48533 14.48645 14.49276 14.50397 14.51196 14.51556 14.54140 14.55427 14.58059 14.66280 14.67362 14.68998 14.69198 14.69406 14.69617 14.69957 14.70664 14.71151 14.72015 14.72107 14.72269 14.73224 14.78137 14.79986 14.82734 15.04687 15.06704 15.07167 15.07907 15.08665 15.08844 15.09314 15.09404 15.09530 15.09618 15.09831 15.10564 15.11287 15.11945 15.14624 16.09115 19.35781 19.38262 19.38635 19.40545 19.41313 19.42297 19.43873 19.46080 19.49112 19.50858 19.51925 19.58352 19.59569 19.63418 19.65255 50.00231 50.04089 50.04339 50.04658 50.05008 50.05303 50.05804 50.06761 50.07439 50.08010 50.09658 50.09678 50.10872 50.12422 50.24351 67.01524 67.09453 67.10657 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 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 1.307867 -0.501004 -0.514281 -0.486199 -0.912368 0.400281 0.400834 -0.909794 0.440917 -0.830391 0.388183 0.449493 0.414338 -0.723107 0.310668 -0.746486 0.328613 -0.780457 0.479964 0.289596 -0.783868 0.453460 0.326471 -0.796868 0.455902 0.328925 -0.711515 0.367727 0.332188 -0.799842 0.425370 0.362956 -0.921605 0.354549 0.567330 -0.730833 0.402483 0.321594 -0.823660 0.410082 0.420908 -0.724965 0.403622 0.305142 -0.921850 0.545017 0.270315 0.354297 -1.00000 5.6227 0.4379 -0.7380 5.6878 -182.3763 -207.2696 -159.0020 -9.5023 15.1027 -6.6414 0.5064 -24.3870 23.8806 -9.5023 15.1027 -6.6414 55.8092 -25.5217 -27.8768 24.0048 68.3647 47.9070 35.2057 -1.5792 -45.4949 4.5422 -4983.9629 -4800.3428 -2039.0352 21.2013 336.5497 -196.1608 -113.1908 111.0500 -86.8825 -1697.5808 -957.1409 -1191.7737 -33.7986 51.7800 -62.4413 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GALAPAGAR LAMSABHI 06-Nov-2024 0 Single Point 14H2OBF3OH CONF100 water -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.5581864 RMSD=6.283e-09 Dipole=1.4294957,0.2981205,1.6956281 Quadrupole=-1.9358252,-7.4091065,9.3449317,7.5000829,-5.3325627,-19.0984438 PG=C01 [X(B1F3H29O15)] 0 0.2402749297 1.1992831966 -1.3025673562 0 0.3618091255 0.9224047239 -2.6971091093 0 1.5593122403 1.4836877924 -0.8099872507 0 -0.553836552 2.3643394716 -1.1329782998 0 -0.3667326264 0.1100715168 -0.5915592406 0 -1.2266788884 3.3279349001 1.7827108643 0 3.2046129708 -0.5409842004 1.9198886565 0 -0.3802288479 -3.1547211601 -2.6978349995 0 0.4677704038 -2.6691096272 -2.6153769697 0 -2.5653117302 2.1669624776 2.250060235 0 -1.9274231183 1.4274766197 2.313756393 0 -0.723710736 -3.2318068279 -1.781619424 0 -2.9399123634 2.0832134212 1.3480650937 0 -0.4527978667 3.8134582521 1.4212853159 0 -0.4167043843 3.5213202736 0.4977653326 0 3.243636655 -0.2620488699 2.8551183814 0 2.6546412979 0.5094757575 2.8843107501 0 2.2188164104 -2.7075380882 3.7200132494 0 2.5667259682 -1.8049650274 3.5469063223 0 1.7260047982 -2.6363008236 4.5466500561 0 -1.8836227644 -0.9784436607 -3.5682371067 0 -1.3696362198 -1.7766749327 -3.3078295138 0 -1.2795155386 -0.2454792615 -3.380492446 0 2.6365326277 -1.0553210963 0.1454306065 0 1.877483667 -1.5144370042 0.5711057678 0 2.3109134034 -0.1627476084 -0.0514062108 0 -3.3865646993 1.9988635094 -0.4465406117 0 -3.4450641576 1.0408326915 -0.6280184045 0 -2.5081136097 2.2365860934 -0.781260064 0 -1.5116490919 -3.2469228683 -0.1425530417 0 -0.8169430476 -2.9584693198 0.4834310158 0 -2.0747466205 -2.4641067591 -0.2836602249 0 -0.5092468499 0.222940454 2.1371355823 0 0.26753794 0.7850243893 2.3311053704 0 -0.5509910252 0.2567966668 1.1553524404 0 1.6415108199 2.0943446704 2.0896398312 0 0.9407033376 2.7773466518 1.9913780657 0 1.8477561557 1.8641779691 1.1709127705 0 0.5408497253 -2.2961662473 1.5322967872 0 0.1495844954 -1.460051872 1.8639461999 0 1.0626753599 -2.6283476763 2.2937023332 0 1.9278058266 -1.5843727678 -2.5878287059 0 2.2361065012 -1.4970682694 -1.6643021695 0 1.5059396442 -0.7327063784 -2.777582635 0 -2.9333930649 -0.7892731797 -0.9129723418 0 -2.0500595018 -0.4154727139 -0.7034393767 0 0.0930846159 -0.7261101982 -0.7447237206 0 -2.8565835848 -0.9203076539 -1.8786092334