Gaussian 16 GINC-CABRERA LAMSABHI Optimization 15-agua-BF3/ CONF41 water EM64L-G16RevC.01 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 49 49 91 91 598 (5D, 7F) 6-311+G(d,p) 141 141 C1[X(BF3H30O15)] C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 307.7972096 0 1 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.506,-.8126,-2.0182;2.5269,-1.5408,-1.3713;.9509,-1.6265,-3.0259;.4977,-.544,-1.0635;1.9743,.4481,-2.5387;.2945,-.3804,1.274;-.3957,-2.9108,.8213;3.1597,.5031,1.4608;3.3805,-.3326,1.0359;-2.7198,-1.2119,1.8936;-2.2012,-.8934,2.7229;3.1043,1.1523,.7168;-2.129,-1.8875,1.3727;.5857,.1797,2.0016;1.56,.3033,1.8491;-1.3624,-2.9254,.6596;-1.4729,-2.9022,-.3164;2.9472,2.2344,-.5927;2.1307,2.7527,-.4674;2.7124,1.6188,-1.311;-1.6626,-3.0094,-2.0686;-1.5162,-3.94,-2.2674;-.8935,-2.5626,-2.4409;-1.376,-.3446,3.8763;-1.7107,.572,4.0027;-.5346,-.2163,3.3965;-2.0652,.3759,-1.9774;-1.2746,-.0896,-1.6695;-2.5011,-.2426,-2.5733;1.3838,-3.0042,1.1217;1.8052,-2.6395,.3344;1.5169,-2.3245,1.7905;-.1566,2.363,-2.8936;-.9158,1.7893,-2.7017;.5968,1.7477,-2.9046;-2.2117,2.2914,3.9667;-1.7854,2.5013,3.115;-3.1479,2.2341,3.7505;-3.0766,.8593,.5374;-2.3571,1.4588,.8562;-2.8321,.6654,-.3913;.4295,3.5246,-.5312;.4406,4.4792,-.6541;.1632,3.1451,-1.4048;-1.0154,2.3387,1.4494;-.568,2.8699,.7556;2.5915,.3412,-3.2702;-.3909,1.6075,1.6456;-2.8822,-.3667,1.3001; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6372168/Gau-331222.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6372168/" chk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF41/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 15-agua-BF3/ CONF41 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 1 1 1 1 4 5 5 5 6 7 7 8 8 8 10 10 10 11 12 13 14 14 14 16 17 18 18 19 21 21 24 24 25 27 27 27 30 30 33 33 33 36 36 37 39 39 39 40 42 42 42 45 45 2 3 4 5 28 20 35 47 14 16 30 9 12 15 11 13 49 24 18 16 15 26 48 17 21 19 20 42 22 23 25 26 36 28 29 41 31 32 34 35 44 37 38 45 40 41 49 45 43 44 46 46 48 1.4111 1.4093 1.4143 1.442 1.9274 1.8501 1.9288 0.963 0.9632 0.9802 1.8071 0.9631 0.9889 1.6583 1.0286 1.0377 1.0455 1.5208 1.7061 1.4742 0.9938 1.8324 1.7661 0.9826 1.7656 0.9752 0.9747 1.8693 0.9628 0.9642 0.984 0.977 1.7912 0.9678 0.9632 1.7853 0.9646 0.9628 0.9708 0.9728 1.7118 0.9753 0.9625 1.8422 0.9893 0.9798 1.4569 1.7106 0.9625 0.989 1.7548 0.9817 0.9814 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 2 2 2 3 3 4 1 1 1 1 20 20 35 9 9 12 11 11 13 6 6 6 15 15 26 7 7 13 12 12 19 17 17 22 11 11 25 14 28 28 29 4 7 7 31 34 34 35 25 25 37 36 40 40 41 19 19 19 43 43 44 37 37 37 40 40 46 1 1 1 1 1 1 4 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 16 16 16 18 18 18 21 21 21 24 24 24 26 27 27 27 28 30 30 30 33 33 33 36 36 36 37 39 39 39 42 42 42 42 42 42 45 45 45 45 45 45 3 4 5 4 5 5 28 20 35 47 35 47 47 12 15 15 13 49 49 15 26 48 26 48 48 13 17 17 19 20 20 22 23 23 25 26 26 24 29 41 41 27 31 32 32 35 44 44 37 38 38 45 41 49 49 43 44 46 44 46 46 40 46 48 46 48 48 108.3464 107.7153 112.4425 108.1493 112.0073 108.0089 119.2176 116.3103 115.1887 112.6614 89.1091 108.5736 112.8563 104.5108 102.7035 101.6034 108.6157 106.5982 109.2508 104.6445 105.3319 98.6605 137.9947 114.244 89.4293 114.9978 105.9278 113.9166 108.3947 100.7885 103.2297 104.3168 105.6322 104.2884 104.4168 98.17 103.5195 158.2441 104.9277 98.4094 117.349 164.7196 105.9606 102.4272 103.8751 103.5342 104.1305 98.8646 95.8497 102.6714 103.9957 162.4158 104.1115 104.1295 107.2377 113.7853 96.7058 109.7672 105.7243 118.0458 110.5806 91.7827 141.4197 98.6815 113.0001 100.6706 104.7423 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 16 10 8 10 8 16 18 5 24 5 39 27 33 42 14 10 16 10 8 10 8 16 18 5 24 5 39 27 33 42 14 10 7 11 12 13 15 17 19 20 25 35 40 41 44 46 48 49 7 11 12 13 15 17 19 20 25 35 40 41 44 46 48 49 30 24 18 16 14 21 42 18 36 33 45 39 42 45 45 39 30 24 18 16 14 21 42 18 36 33 45 39 42 45 45 39 1 1 1 6 1 1 3 6 5 10 1 6 2 1 5 1 1 1 1 6 1 1 3 6 5 10 1 6 2 1 5 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 182.2156 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 176.2893 177.7317 184.0697 175.4385 182.4611 168.4453 171.8869 170.6816 168.7139 176.118 170.2792 173.9045 169.0733 181.5804 180.6934 183.299 177.1928 178.7394 178.6624 181.2075 175.5843 184.3188 185.8616 179.3076 175.1672 185.0554 174.6936 178.1038 175.6172 173.9389 183.3672 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 2 3 5 2 2 2 3 3 3 4 4 4 1 1 1 35 35 47 47 1 1 20 20 47 47 9 9 9 12 12 12 9 9 15 15 11 11 49 49 13 13 49 49 11 11 13 13 6 6 6 15 15 15 26 26 26 7 7 13 13 13 13 17 17 6 15 48 12 12 12 20 20 20 11 11 26 26 11 25 29 41 28 28 29 29 34 34 34 35 35 35 25 38 36 36 36 41 41 41 49 49 49 19 19 19 43 43 43 44 44 44 1 1 1 1 1 1 1 1 1 1 1 1 4 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 14 14 14 18 18 18 18 18 18 24 24 24 24 24 24 27 27 27 27 27 27 33 33 33 33 33 33 36 36 37 37 37 39 39 39 39 39 39 42 42 42 42 42 42 42 42 42 4 4 4 5 5 5 5 5 5 5 5 5 28 18 18 18 18 18 18 33 33 33 33 33 33 14 14 14 14 14 14 18 18 18 18 16 16 16 16 24 24 24 24 39 39 39 39 45 45 45 45 45 45 45 45 45 21 21 21 21 30 30 30 30 26 26 26 42 42 42 42 42 42 36 36 36 36 26 26 28 28 39 39 39 39 42 42 42 42 42 42 37 37 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 28 28 28 20 35 47 20 35 47 20 35 47 27 12 19 12 19 12 19 34 44 34 44 34 44 6 26 48 6 26 48 19 20 19 20 7 17 7 17 25 26 25 26 40 41 40 41 37 40 46 37 40 46 37 40 46 22 23 22 23 31 32 31 32 24 24 24 43 44 46 43 44 46 37 38 37 38 14 14 4 4 40 49 40 49 19 43 46 19 43 46 45 45 40 46 48 37 46 48 37 46 48 37 40 48 37 40 48 37 40 48 -160.2679 -43.3674 78.047 -58.2846 -160.6054 67.9791 179.4218 77.101 -54.3145 60.4306 -41.8902 -173.3057 -87.0466 14.4951 -95.6924 130.9899 20.8025 -115.4764 134.3362 -7.1927 97.7162 -124.7354 -19.8265 125.6642 -129.4269 -31.9107 101.9653 -137.0455 75.475 -150.649 -29.6598 133.5174 25.9251 27.5373 -80.055 -22.1269 -146.0537 95.2784 -28.6484 148.9312 43.2038 32.6659 -73.0615 22.6313 132.4696 -94.0417 15.7966 126.9496 34.1976 -82.6856 -122.6395 144.6086 27.7254 21.7356 -71.0163 172.1004 80.135 -29.0978 -150.7328 100.0344 -105.4083 3.7266 22.8159 131.9507 -53.7699 172.1092 45.0548 132.7528 -118.3326 -5.1949 -123.647 -14.7324 98.4053 -68.6147 36.4113 31.6872 136.7133 35.2717 -71.7789 145.8526 -92.8128 64.949 -42.2802 175.8859 68.6567 117.6375 -126.0894 5.1905 11.7848 128.0579 -100.6622 20.9757 -83.667 53.3142 -174.9356 -47.7643 179.9881 29.3551 -80.9352 -69.1608 140.2062 29.9158 107.005 -117.251 -12.2495 -25.5935 110.1506 -144.8479 -149.6391 -13.8951 91.1065 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 617 A 598 A 924 617 2119.7200475124 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 598 RedAO= T EigKep= 1.19D-04 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Berny optimization. local minimum Step number 58 out of a maximum of 273 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00026 0.00078 0.00207 0.00252 0.00324 0.00335 0.00358 0.00380 0.00422 0.00448 0.00604 0.00626 0.00645 0.00746 0.00798 0.00821 0.00929 0.01035 0.01093 0.01209 0.01325 0.01405 0.01639 0.01808 0.01920 0.02045 0.02132 0.02283 0.02525 0.02658 0.02704 0.02773 0.03033 0.03150 0.03283 0.03412 0.03515 0.03592 0.03692 0.03785 0.03934 0.04080 0.04163 0.04264 0.04347 0.04453 0.04814 0.04961 0.05000 0.05135 0.05327 0.05450 0.05550 0.05619 0.05744 0.05877 0.05951 0.06111 0.06149 0.06221 0.06297 0.06417 0.06515 0.06573 0.06786 0.06815 0.06878 0.06970 0.07060 0.07094 0.07346 0.07411 0.07531 0.07636 0.07660 0.07873 0.07926 0.08084 0.08416 0.08575 0.08799 0.08864 0.09031 0.09207 0.09510 0.09596 0.09985 0.10660 0.10882 0.11187 0.11899 0.12443 0.12887 0.13605 0.13871 0.14655 0.15634 0.15843 0.18078 0.18737 0.20718 0.22010 0.23923 0.34250 0.36317 0.37693 0.39830 0.41618 0.41870 0.42631 0.43884 0.45687 0.46820 0.47308 0.48218 0.48445 0.49180 0.49404 0.49659 0.50543 0.50886 0.51275 0.51361 0.51607 0.52622 0.52743 0.53849 0.54537 0.54750 0.54792 0.54812 0.54839 0.54923 0.54942 0.55022 0.55420 0.56941 0.59248 0.80179 1.51521 2.13785 -7.45814704e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 2.70302 2.68976 2.71532 2.70455 3.43551 3.47021 3.54483 1.82326 1.83665 1.85916 3.40650 1.83138 1.86150 3.35721 1.93803 1.95318 1.95152 2.92513 3.36977 2.85317 1.86384 3.41327 3.45608 1.85958 3.36611 1.84672 1.84956 3.54227 1.82491 1.83713 1.85945 1.85178 3.42524 1.83900 1.82604 3.39092 1.83373 1.83678 1.84192 1.84794 3.31405 1.84923 1.82424 3.45047 1.86472 1.85555 2.86831 3.34560 1.82386 1.86837 3.36528 1.85629 1.85157 1.87637 1.86964 1.97809 1.87902 1.96957 1.88632 2.06273 2.06028 2.00333 1.96482 1.43098 1.92030 2.02822 1.80253 1.66354 1.69248 1.87807 1.84534 1.90728 1.80745 2.05583 1.58173 2.36468 1.96262 1.46863 1.89128 1.85221 1.96617 2.01115 1.63840 1.81229 1.90903 1.79810 1.83065 1.80066 1.72749 1.81997 2.89011 1.82758 1.69395 2.03179 2.85801 1.82410 1.71724 1.80010 1.80816 1.87274 1.77113 1.65724 1.89149 1.83231 2.83709 1.83265 1.83302 1.85430 2.05836 1.62307 1.83266 1.85165 2.09148 1.95151 1.53661 2.54445 1.76136 1.88083 1.76911 1.83576 3.17943 3.06506 2.95362 3.16082 2.87920 3.14725 2.92224 3.03979 2.98068 3.00943 3.09915 2.98767 2.98353 2.97992 3.07977 3.15937 3.05829 3.07049 3.16224 3.07679 3.13649 3.12305 3.22280 3.14389 3.09183 3.09859 3.21611 3.15052 3.09123 3.12240 2.95339 3.21229 -2.81981 -0.80625 1.32619 -1.00904 -2.65193 1.25844 3.13610 1.49321 -0.87961 1.06027 -0.58262 -2.95544 -1.92680 0.44368 -1.58471 2.42889 0.40050 -1.84543 2.40937 -0.25877 1.65241 -2.29864 -0.38746 2.09651 -2.27550 -0.65133 2.00800 -2.26503 1.15350 -2.47036 -0.46021 2.06767 0.22731 0.39176 -1.44860 -0.36055 -2.41515 1.64155 -0.41305 2.72256 0.86631 0.71278 -1.14346 0.28568 2.22093 -1.72292 0.21234 2.35928 0.80635 -1.11470 -2.11043 2.61983 0.69878 0.29456 -1.25837 3.10377 1.68632 -0.25160 -2.52502 1.82024 -1.99027 -0.14411 0.12105 1.96721 -0.60531 2.95390 0.92387 2.38278 -2.01682 -0.05724 -2.20806 -0.32447 1.63511 -1.25005 0.60725 0.51261 2.36991 0.54682 -1.30592 3.01565 -1.17784 1.05672 -0.83912 2.95858 1.06275 2.16249 -2.04482 0.32864 0.29092 2.36680 -1.54293 -0.08138 -2.01054 1.40533 -2.79196 -0.36088 -3.11345 0.56080 -1.35569 -1.18018 2.49407 0.57758 2.15155 -2.07307 -0.23924 -0.22214 1.83643 -2.61293 -2.42243 -0.36386 1.46997 0.00000 0.00003 0.00006 0.00003 -0.00002 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00002 -0.00001 0.00000 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 0.00002 0.00000 0.00001 0.00003 0.00000 -0.00001 0.00001 0.00002 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00002 0.00003 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00001 0.00000 -0.00001 0.00001 0.00002 0.00000 0.00002 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00003 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00002 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 -0.00000 -0.00002 0.00001 -0.00001 -0.00003 0.00001 0.00001 -0.00002 0.00001 0.00001 0.00002 -0.00005 0.00000 0.00001 0.00002 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00003 -0.00001 -0.00002 -0.00008 -0.00000 -0.00003 -0.00000 -0.00001 -0.00001 0.00000 -0.00002 0.00000 -0.00002 -0.00002 -0.00001 -0.00001 -0.00003 0.00000 0.00001 -0.00002 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00002 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 0.00000 0.00001 -0.00000 0.00002 -0.00002 0.00000 -0.00002 -0.00002 -0.00001 -0.00001 0.00001 0.00001 0.00002 0.00002 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00002 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00004 0.00001 0.00000 0.00002 0.00015 -0.00004 -0.00007 -0.00000 0.00001 -0.00000 0.00006 -0.00000 0.00003 -0.00016 0.00001 -0.00000 -0.00002 -0.00006 -0.00039 0.00005 0.00002 -0.00002 -0.00019 0.00000 -0.00003 0.00001 0.00001 -0.00014 0.00000 0.00001 0.00001 -0.00000 -0.00011 -0.00001 0.00000 -0.00004 0.00000 0.00000 0.00000 0.00001 -0.00008 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00009 0.00008 0.00000 0.00001 0.00007 -0.00000 0.00001 0.00000 0.00001 0.00003 -0.00000 -0.00001 -0.00003 -0.00014 -0.00014 0.00018 0.00005 -0.00011 -0.00007 0.00004 -0.00001 0.00026 -0.00011 -0.00006 0.00003 0.00001 -0.00003 -0.00004 0.00004 0.00001 0.00023 -0.00010 -0.00010 0.00001 -0.00004 0.00012 0.00025 0.00000 0.00008 -0.00014 -0.00000 -0.00018 0.00014 0.00003 0.00005 -0.00002 0.00007 -0.00007 -0.00010 -0.00002 0.00009 0.00001 -0.00001 0.00010 -0.00005 -0.00009 0.00009 -0.00000 0.00001 0.00001 -0.00014 -0.00002 0.00010 -0.00005 -0.00003 -0.00001 0.00003 -0.00005 -0.00032 0.00011 0.00018 -0.00008 0.00003 -0.00001 0.00009 0.00008 0.00012 -0.00005 -0.00002 0.00001 0.00004 -0.00005 0.00002 -0.00005 0.00007 0.00000 0.00003 -0.00001 -0.00000 0.00001 0.00016 -0.00003 -0.00009 -0.00005 0.00007 0.00009 0.00004 -0.00005 -0.00012 0.00015 -0.00012 0.00006 0.00004 -0.00014 0.00012 0.00005 -0.00007 -0.00006 -0.00009 0.00003 0.00014 -0.00016 0.00001 0.00012 -0.00018 0.00004 0.00015 -0.00015 -0.00028 0.00001 -0.00017 0.00015 -0.00003 0.00016 -0.00002 -0.00021 -0.00012 -0.00004 0.00005 0.00007 0.00016 -0.00019 -0.00037 -0.00022 -0.00018 -0.00037 -0.00022 0.00046 0.00029 0.00020 0.00003 -0.00005 0.00004 -0.00007 0.00002 0.00018 0.00015 0.00017 0.00013 -0.00011 -0.00017 -0.00005 -0.00011 -0.00027 0.00002 0.00008 -0.00026 0.00003 0.00009 -0.00023 0.00006 0.00012 0.00008 0.00010 -0.00006 -0.00004 0.00005 0.00010 0.00001 0.00006 0.00027 0.00050 0.00027 -0.00018 -0.00021 -0.00028 0.00015 0.00012 0.00004 -0.00023 -0.00026 -0.00012 -0.00015 -0.00036 -0.00022 0.00034 0.00029 -0.00008 0.00008 -0.00008 0.00008 -0.00015 -0.00005 -0.00010 -0.00014 -0.00005 -0.00009 -0.00034 -0.00040 0.00060 0.00000 0.00063 -0.00004 0.00008 0.00009 -0.00008 0.00004 0.00005 0.00075 0.00013 0.00013 0.00065 0.00003 0.00003 0.00066 0.00004 0.00004 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00004 0.00001 0.00000 0.00002 0.00015 -0.00004 -0.00007 -0.00000 0.00001 -0.00000 0.00006 -0.00000 0.00003 -0.00016 0.00001 -0.00000 -0.00002 -0.00006 -0.00039 0.00005 0.00002 -0.00002 -0.00019 0.00000 -0.00003 0.00001 0.00001 -0.00014 0.00000 0.00001 0.00001 -0.00000 -0.00011 -0.00001 0.00000 -0.00004 0.00000 0.00000 0.00000 0.00001 -0.00008 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00009 0.00008 0.00000 0.00001 0.00007 -0.00000 0.00001 0.00000 0.00001 0.00003 -0.00000 -0.00001 -0.00003 -0.00014 -0.00014 0.00018 0.00005 -0.00011 -0.00007 0.00004 -0.00001 0.00026 -0.00011 -0.00006 0.00003 0.00001 -0.00003 -0.00004 0.00004 0.00001 0.00023 -0.00010 -0.00010 0.00001 -0.00004 0.00012 0.00025 0.00000 0.00008 -0.00014 -0.00000 -0.00018 0.00014 0.00003 0.00005 -0.00002 0.00007 -0.00007 -0.00010 -0.00002 0.00009 0.00001 -0.00001 0.00010 -0.00005 -0.00009 0.00009 -0.00000 0.00001 0.00001 -0.00014 -0.00002 0.00010 -0.00005 -0.00003 -0.00001 0.00003 -0.00005 -0.00032 0.00011 0.00018 -0.00008 0.00003 -0.00001 0.00009 0.00008 0.00012 -0.00005 -0.00002 0.00001 0.00004 -0.00005 0.00002 -0.00005 0.00007 0.00000 0.00003 -0.00001 -0.00000 0.00001 0.00016 -0.00003 -0.00009 -0.00005 0.00007 0.00009 0.00004 -0.00005 -0.00012 0.00015 -0.00012 0.00006 0.00004 -0.00014 0.00012 0.00005 -0.00007 -0.00006 -0.00009 0.00003 0.00014 -0.00016 0.00001 0.00012 -0.00018 0.00004 0.00015 -0.00015 -0.00028 0.00001 -0.00017 0.00015 -0.00003 0.00016 -0.00002 -0.00021 -0.00012 -0.00004 0.00005 0.00007 0.00016 -0.00019 -0.00037 -0.00022 -0.00018 -0.00037 -0.00022 0.00046 0.00029 0.00020 0.00003 -0.00005 0.00004 -0.00007 0.00002 0.00018 0.00015 0.00017 0.00013 -0.00011 -0.00017 -0.00005 -0.00011 -0.00027 0.00002 0.00008 -0.00026 0.00003 0.00009 -0.00023 0.00006 0.00012 0.00008 0.00010 -0.00006 -0.00004 0.00005 0.00010 0.00001 0.00006 0.00027 0.00050 0.00027 -0.00018 -0.00021 -0.00028 0.00015 0.00012 0.00004 -0.00023 -0.00026 -0.00012 -0.00015 -0.00036 -0.00022 0.00034 0.00029 -0.00008 0.00008 -0.00008 0.00008 -0.00015 -0.00005 -0.00010 -0.00014 -0.00005 -0.00009 -0.00034 -0.00040 0.00060 0.00000 0.00063 -0.00004 0.00008 0.00009 -0.00008 0.00004 0.00005 0.00075 0.00013 0.00013 0.00065 0.00003 0.00003 0.00066 0.00004 0.00004 2.70298 2.68977 2.71532 2.70457 3.43566 3.47017 3.54476 1.82325 1.83666 1.85916 3.40656 1.83138 1.86153 3.35705 1.93804 1.95318 1.95150 2.92508 3.36938 2.85321 1.86386 3.41325 3.45589 1.85958 3.36608 1.84673 1.84957 3.54214 1.82491 1.83713 1.85946 1.85178 3.42513 1.83899 1.82604 3.39088 1.83373 1.83678 1.84193 1.84795 3.31397 1.84923 1.82424 3.45045 1.86472 1.85555 2.86840 3.34569 1.82387 1.86838 3.36534 1.85629 1.85158 1.87637 1.86965 1.97812 1.87902 1.96956 1.88629 2.06259 2.06014 2.00351 1.96486 1.43087 1.92024 2.02826 1.80251 1.66381 1.69237 1.87801 1.84536 1.90729 1.80742 2.05579 1.58177 2.36469 1.96284 1.46853 1.89118 1.85221 1.96613 2.01126 1.63865 1.81229 1.90911 1.79796 1.83064 1.80048 1.72763 1.82000 2.89016 1.82756 1.69403 2.03172 2.85791 1.82408 1.71733 1.80011 1.80815 1.87284 1.77108 1.65715 1.89158 1.83231 2.83710 1.83266 1.83288 1.85428 2.05846 1.62302 1.83262 1.85164 2.09151 1.95146 1.53630 2.54456 1.76154 1.88075 1.76914 1.83575 3.17952 3.06514 2.95374 3.16077 2.87918 3.14726 2.92228 3.03973 2.98070 3.00937 3.09922 2.98767 2.98356 2.97991 3.07977 3.15938 3.05845 3.07046 3.16215 3.07674 3.13656 3.12314 3.22284 3.14384 3.09171 3.09875 3.21599 3.15058 3.09127 3.12226 2.95351 3.21234 -2.81988 -0.80631 1.32610 -1.00902 -2.65180 1.25827 3.13611 1.49333 -0.87979 1.06031 -0.58247 -2.95559 -1.92709 0.44369 -1.58488 2.42904 0.40047 -1.84527 2.40935 -0.25898 1.65230 -2.29868 -0.38740 2.09657 -2.27533 -0.65151 2.00762 -2.26526 1.15332 -2.47073 -0.46042 2.06813 0.22760 0.39196 -1.44856 -0.36060 -2.41512 1.64149 -0.41303 2.72274 0.86646 0.71295 -1.14333 0.28558 2.22077 -1.72296 0.21223 2.35901 0.80637 -1.11462 -2.11069 2.61985 0.69887 0.29433 -1.25831 3.10389 1.68640 -0.25150 -2.52508 1.82020 -1.99022 -0.14401 0.12106 1.96727 -0.60504 2.95440 0.92413 2.38260 -2.01703 -0.05752 -2.20791 -0.32435 1.63516 -1.25028 0.60699 0.51249 2.36976 0.54646 -1.30614 3.01599 -1.17755 1.05664 -0.83904 2.95851 1.06283 2.16234 -2.04487 0.32855 0.29077 2.36675 -1.54302 -0.08172 -2.01093 1.40593 -2.79196 -0.36025 -3.11348 0.56088 -1.35559 -1.18026 2.49411 0.57763 2.15229 -2.07294 -0.23911 -0.22149 1.83646 -2.61289 -2.42177 -0.36382 1.47001 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000077 0.000013 0.001067 0.000214 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -8.981326e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 1 1 1 1 4 5 5 5 6 7 7 8 8 8 10 10 10 11 12 13 14 14 14 16 17 18 18 19 21 21 24 24 25 27 27 27 30 30 33 33 33 36 36 37 39 39 39 40 42 42 42 45 45 2 3 4 5 28 20 35 47 14 16 30 9 12 15 11 13 49 24 18 16 15 26 48 17 21 19 20 42 22 23 25 26 36 28 29 41 31 32 34 35 44 37 38 45 40 41 49 45 43 44 46 46 48 1.4304 1.4234 1.4369 1.4312 1.818 1.8364 1.8758 0.9648 0.9719 0.9838 1.8026 0.9691 0.9851 1.7766 1.0256 1.0336 1.0327 1.5479 1.7832 1.5098 0.9863 1.8062 1.8289 0.984 1.7813 0.9772 0.9787 1.8745 0.9657 0.9722 0.984 0.9799 1.8126 0.9732 0.9663 1.7944 0.9704 0.972 0.9747 0.9779 1.7537 0.9786 0.9653 1.8259 0.9868 0.9819 1.5178 1.7704 0.9651 0.9887 1.7808 0.9823 0.9798 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 2 2 2 3 3 4 1 1 1 1 20 20 35 9 9 12 11 11 13 6 6 6 15 15 26 7 7 13 12 12 19 17 17 22 11 11 25 14 28 28 29 4 7 7 31 34 34 35 25 25 37 36 40 40 41 19 19 19 43 43 44 37 37 37 40 40 46 1 1 1 1 1 1 4 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 16 16 16 18 18 18 21 21 21 24 24 24 26 27 27 27 28 30 30 30 33 33 33 36 36 36 37 39 39 39 42 42 42 42 42 42 45 45 45 45 45 45 3 4 5 4 5 5 28 20 35 47 35 47 47 12 15 15 13 49 49 15 26 48 26 48 48 13 17 17 19 20 20 22 23 23 25 26 26 24 29 41 41 27 31 32 32 35 44 44 37 38 38 45 41 49 49 43 44 46 44 46 46 40 46 48 46 48 48 107.5079 107.1226 113.3361 107.6601 112.8482 108.078 118.186 118.0452 114.7825 112.5757 81.9889 110.0253 116.2087 103.2772 95.314 96.9722 107.6053 105.7299 109.2792 103.5592 117.7905 90.6266 135.4859 112.4496 84.1466 108.3622 106.1236 112.6533 115.2302 93.8732 103.8363 109.3796 103.0235 104.8883 103.1701 98.9777 104.2769 165.5909 104.7124 97.0564 116.4128 163.7522 104.5134 98.3905 103.1384 103.5998 107.3 101.4784 94.9529 108.3745 104.9835 162.5534 105.0034 105.0243 106.2435 117.9354 92.995 105.0035 106.0919 119.8332 111.8134 88.0414 145.7863 100.9184 107.7637 101.3627 105.1814 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 16 10 8 10 8 16 18 5 24 5 39 27 33 42 14 10 16 10 8 10 8 16 18 5 24 5 39 27 33 42 14 7 11 12 13 15 17 19 20 25 35 40 41 44 46 48 49 7 11 12 13 15 17 19 20 25 35 40 41 44 46 48 30 24 18 16 14 21 42 18 36 33 45 39 42 45 45 39 30 24 18 16 14 21 42 18 36 33 45 39 42 45 45 1 1 1 6 1 1 3 6 5 10 1 6 2 1 5 1 1 1 1 6 1 1 3 6 5 10 1 6 2 1 5 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 182.168 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 175.6148 169.2298 181.1015 164.9659 180.3242 167.4321 174.1671 170.7804 172.4275 177.5683 171.1811 170.9439 170.737 176.4579 181.0188 175.2272 175.926 181.1831 176.287 179.7075 178.9375 184.6528 180.1316 177.1489 177.5364 184.2695 180.5113 177.1146 178.9003 169.2169 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 2 3 5 2 2 2 3 3 3 4 4 4 1 1 1 35 35 47 47 1 1 20 20 47 47 9 9 9 12 12 12 9 9 15 15 11 11 49 49 13 13 49 49 11 11 13 13 6 6 6 15 15 15 26 26 26 7 7 13 13 13 13 17 17 6 15 48 12 12 12 20 20 20 11 11 26 26 11 25 29 41 28 28 29 29 34 34 34 35 35 35 25 38 36 36 36 41 41 41 49 49 49 19 19 19 43 43 43 44 44 1 1 1 1 1 1 1 1 1 1 1 1 4 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 14 14 14 18 18 18 18 18 18 24 24 24 24 24 24 27 27 27 27 27 27 33 33 33 33 33 33 36 36 37 37 37 39 39 39 39 39 39 42 42 42 42 42 42 42 42 4 4 4 5 5 5 5 5 5 5 5 5 28 18 18 18 18 18 18 33 33 33 33 33 33 14 14 14 14 14 14 18 18 18 18 16 16 16 16 24 24 24 24 39 39 39 39 45 45 45 45 45 45 45 45 45 21 21 21 21 30 30 30 30 26 26 26 42 42 42 42 42 42 36 36 36 36 26 26 28 28 39 39 39 39 42 42 42 42 42 42 37 37 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 28 28 28 20 35 47 20 35 47 20 35 47 27 12 19 12 19 12 19 34 44 34 44 34 44 6 26 48 6 26 48 19 20 19 20 7 17 7 17 25 26 25 26 40 41 40 41 37 40 46 37 40 46 37 40 46 22 23 22 23 31 32 31 32 24 24 24 43 44 46 43 44 46 37 38 37 38 14 14 4 4 40 49 40 49 19 43 46 19 43 46 45 45 40 46 48 37 46 48 37 46 48 37 40 48 37 40 48 37 40 -161.5634 -46.1948 75.9852 -57.814 -151.9445 72.1031 179.6851 85.5546 -50.3978 60.7489 -33.3816 -169.334 -110.3978 25.4211 -90.7972 139.1651 22.9469 -105.7352 138.0466 -14.8266 94.6762 -131.7023 -22.1996 120.121 -130.3763 -37.3183 115.0496 -129.7769 66.0907 -141.5414 -26.3679 118.4688 13.024 22.4464 -82.9985 -20.6582 -138.3781 94.054 -23.6659 155.9911 49.6358 40.8396 -65.5157 16.3684 127.2501 -98.7158 12.1659 135.1768 46.2003 -63.8676 -120.9185 150.105 40.0371 16.8773 -72.0992 177.8329 96.6188 -14.4157 -144.6731 104.2923 -114.0339 -8.2566 6.9357 112.713 -34.682 169.2462 52.9336 136.523 -115.5554 -3.2796 -126.5123 -18.5907 93.6851 -71.6227 34.7926 29.3704 135.7857 31.3304 -74.8237 172.784 -67.4851 60.5454 -48.0779 169.5143 60.891 123.9013 -117.1594 18.8298 16.6682 135.6075 -88.4033 -4.6628 -115.1953 80.5195 -159.9675 -20.6769 -178.3874 32.1317 -77.6751 -67.6196 142.8995 33.0927 123.2745 -118.7782 -13.7075 -12.7277 105.2196 -149.7096 -138.7948 -20.8475 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0583838701 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.506,-.8126,-2.0182;2.5269,-1.5408,-1.3712;.9509,-1.6265,-3.0259;.4977,-.544,-1.0635;1.9743,.4481,-2.5387;.2945,-.3803,1.2741;-.3957,-2.9108,.8213;3.1597,.5031,1.4608;3.3805,-.3326,1.0359;-2.7198,-1.2119,1.8936;-2.2012,-.8935,2.7229;3.1043,1.1523,.7168;-2.129,-1.8875,1.3727;.5857,.1797,2.0016;1.56,.3033,1.8491;-1.3624,-2.9254,.6596;-1.4729,-2.9022,-.3164;2.9472,2.2344,-.5927;2.1307,2.7528,-.4674;2.7124,1.6188,-1.311;-1.6626,-3.0094,-2.0686;-1.5162,-3.94,-2.2674;-.8935,-2.5626,-2.4409;-1.376,-.3446,3.8764;-1.7107,.572,4.0027;-.5346,-.2163,3.3964;-2.0652,.3759,-1.9774;-1.2746,-.0896,-1.6695;-2.5011,-.2426,-2.5733;1.3838,-3.0042,1.1217;1.8051,-2.6395,.3344;1.5169,-2.3245,1.7905;-.1566,2.363,-2.8936;-.9158,1.7893,-2.7017;.5968,1.7477,-2.9046;-2.2117,2.2914,3.9667;-1.7854,2.5013,3.115;-3.1479,2.2341,3.7505;-3.0766,.8593,.5374;-2.3571,1.4588,.8562;-2.8321,.6654,-.3913;.4295,3.5246,-.5313;.4407,4.4792,-.6541;.1632,3.1451,-1.4048;-1.0154,2.3387,1.4494;-.568,2.8699,.7556;2.5915,.3412,-3.2702;-.3909,1.6075,1.6456;-2.8822,-.3667,1.3001; 0.000000 1.411059 0.000000 1.409314 2.286731 0.000000 1.414314 2.281643 2.286525 0.000000 1.442005 2.371503 2.364023 2.310998 0.000000 3.534672 3.650763 4.524801 2.352119 4.247993 0.000000 4.010311 3.902071 4.273693 3.154803 5.309353 2.661691 0.000000 4.070512 3.549403 5.435501 3.815093 4.171835 3.004187 4.970416 0.000000 3.615461 2.825353 4.906682 3.572504 3.919775 3.095599 4.577478 0.963148 0.000000 5.772374 6.188367 6.152116 4.420821 6.666062 3.187694 3.072049 6.139875 6.222801 0.000000 6.019035 6.287790 6.597167 4.663000 6.849778 2.931016 3.308403 5.681827 5.858016 1.028638 0.000000 3.727651 3.456293 5.134864 3.583462 3.517288 3.248760 5.363727 0.988908 1.543663 6.394884 6.029720 0.000000 5.086001 5.415421 5.376050 3.826203 6.131165 2.855595 2.086944 5.804608 5.734625 1.037733 1.678239 6.087487 0.000000 4.241542 4.254930 5.354625 3.150658 4.755499 0.963235 3.450741 2.650025 3.000989 3.588179 3.072291 2.989920 3.469673 0.000000 4.025445 3.834872 5.278355 3.213989 4.409703 1.549048 3.900214 1.658305 2.092867 4.540335 4.042560 2.094661 4.316841 0.993824 0.000000 4.456785 4.600897 4.541138 3.478536 5.722167 3.098359 0.980220 5.731139 5.418427 2.510216 3.014858 6.048267 1.474183 3.903529 4.514357 0.000000 4.017067 4.354824 3.852759 3.162668 5.295854 3.465947 1.566797 6.017941 5.655715 3.048947 3.715229 6.201338 2.076791 4.371401 4.915572 0.982554 0.000000 3.659636 3.877499 4.981191 3.733785 2.815020 4.166387 6.296670 2.694359 3.070790 7.083384 6.876259 1.706083 6.827933 4.065576 3.408225 6.838437 6.782181 0.000000 3.937874 4.405512 5.207322 3.727042 3.102662 4.027503 6.334021 3.136477 3.652538 6.694860 6.499115 2.216225 6.562257 3.886320 3.419278 6.761151 6.707251 0.975158 0.000000 2.804817 3.165603 4.071356 3.105469 1.850059 4.065177 5.892783 3.021178 3.124423 6.913196 6.835771 2.117368 6.552543 4.191328 3.611755 6.413817 6.240624 0.974678 1.528387 0.000000 3.855983 4.493840 3.107921 3.428531 5.040018 4.681314 3.156899 6.931671 6.498863 4.477445 5.265487 6.913770 3.649415 5.638363 6.058581 2.745927 1.765625 7.136171 7.082016 6.413607 0.000000 4.356252 4.786008 3.466163 4.127693 5.613595 5.337740 3.443088 7.450139 6.921175 5.119113 5.886757 7.495692 4.223557 6.293995 6.664372 3.101709 2.210265 7.800613 7.831552 7.049552 0.962843 0.000000 2.999891 3.726617 2.149528 2.812044 4.159125 4.469326 3.318352 6.407096 5.943791 4.893714 5.582264 6.305097 4.065217 5.426307 5.712928 3.156735 2.228136 6.417042 6.426076 5.635953 0.964202 1.521514 0.000000 6.578077 6.648351 7.395900 5.287059 7.280507 3.092497 4.108469 5.208282 5.540085 2.547436 1.520760 5.682929 3.035788 2.763651 3.626192 4.124058 4.912224 6.731530 6.384227 6.890463 6.521122 7.119851 6.712727 0.000000 6.965388 7.162483 7.830709 5.638244 7.509016 3.517592 4.897008 5.494347 5.961663 2.940918 2.006512 5.858168 3.625099 3.071177 3.925287 4.850700 5.548113 6.751136 6.284436 6.992552 7.049041 7.727262 7.212123 0.983993 0.000000 5.817104 5.818780 6.741112 4.589627 6.477853 2.284486 3.729706 4.232369 4.573219 2.832788 1.920826 4.721781 3.070891 1.832396 2.655521 3.938799 4.677541 5.834630 5.554178 6.005943 6.240145 6.848955 6.301510 0.977018 1.540228 0.000000 3.764070 5.012891 3.769127 2.872310 4.078984 4.088055 4.628497 6.256003 6.264032 4.234962 4.870619 5.880936 4.043573 4.785259 5.271567 4.283282 3.722335 5.522265 5.053284 4.981460 3.410384 4.360385 3.197343 5.938084 5.993834 5.618890 0.000000 2.894185 4.080007 3.025704 1.927387 3.405884 3.348306 3.864712 5.460167 5.389655 4.005544 4.560507 5.139212 3.635585 4.124384 4.535391 3.670711 3.127416 4.938010 4.595714 4.352438 2.972325 3.904025 2.618434 5.552655 5.727321 5.121295 0.967790 0.000000 4.085369 5.330217 3.746518 3.370941 4.528526 4.757796 4.803712 6.991085 6.901303 4.576166 5.344512 6.647645 4.291302 5.535072 6.028945 4.352673 3.636494 6.304141 5.904355 5.677978 2.934758 3.838534 2.825657 6.547890 6.673290 6.285384 0.963188 1.531208 0.000000 3.831086 3.108519 4.391838 3.407745 5.066096 2.845033 1.807103 3.945857 3.336395 4.543969 4.457713 4.516614 3.694525 3.398249 3.391091 2.785917 3.199886 5.729412 6.018726 5.390263 4.411120 4.557583 4.251287 4.719920 5.537646 4.077596 5.738056 4.832450 6.030900 0.000000 2.993667 2.153429 3.612149 2.838096 4.220978 2.875618 2.270377 3.602761 2.880264 4.994486 4.980459 4.026387 4.137773 3.494976 3.318875 3.197021 3.352332 5.091098 5.461286 4.654436 4.235068 4.414925 3.871821 5.285074 6.011037 4.552246 5.423772 4.472431 5.722219 0.964566 0.000000 4.097915 3.410439 4.899598 3.514950 5.161306 2.353959 2.222919 3.286808 2.830247 4.381644 4.091707 3.969972 3.695732 2.680111 2.628870 3.151283 3.702979 5.339452 5.590513 5.157382 5.046854 5.317542 4.875687 4.079191 4.868462 3.351496 5.858499 4.975908 6.286690 0.962772 1.517469 0.000000 3.689867 4.975822 4.142531 3.496902 2.886818 5.009921 6.455373 5.780846 5.934522 6.501443 6.806683 5.013441 6.337131 5.411230 5.448155 6.484362 6.008104 3.865732 3.357153 3.360050 5.640175 6.478369 5.001036 7.392625 7.292652 6.808919 2.903623 2.960400 3.519791 6.877682 6.268514 6.834884 0.000000 3.619671 4.971091 3.906070 3.182102 3.190307 4.688124 5.896869 5.965753 6.077003 5.777441 6.186726 5.315349 5.620605 5.192901 5.389521 5.807386 5.292414 4.423599 3.898948 3.889366 4.897507 5.777018 4.359784 6.930776 6.860212 6.430786 1.960438 2.173556 2.580378 6.548542 6.019605 6.559100 0.970803 0.000000 2.857820 4.109804 3.394880 2.941279 1.928801 4.699046 6.047253 5.212861 5.253931 6.540836 6.817140 4.444833 6.240180 5.150678 5.060760 6.195122 5.709950 3.332524 3.050110 2.651796 5.332282 6.100870 4.584197 7.365506 7.376848 6.696325 3.134940 2.898840 3.697049 6.277761 5.585572 6.282822 0.972836 1.526732 0.000000 7.699065 8.101472 8.616792 6.378386 7.952419 4.546368 6.344617 6.191140 6.837258 4.102329 3.419122 6.333957 4.919253 4.018273 4.760497 6.234786 6.772302 6.885177 6.223390 7.249392 8.051324 8.841833 8.145986 2.766787 1.791231 3.070268 6.246824 6.189847 7.019757 7.004612 7.324158 6.320254 7.161894 6.811653 7.442985 0.000000 6.940163 7.420343 7.889103 5.652182 7.093388 4.002385 6.040158 5.584265 6.248263 4.019107 3.442548 5.610738 4.734522 3.500276 4.198263 5.971329 6.408606 6.017977 5.313474 6.371754 7.566521 8.398432 7.570202 2.974304 2.125023 3.004886 5.525262 5.464954 6.356018 6.657891 6.859503 5.995740 6.227056 5.924295 6.517580 0.975257 0.000000 8.013689 8.525549 8.810468 6.647035 8.305469 4.981724 6.528717 6.930003 7.521745 3.937784 3.425416 7.032972 4.866170 4.606378 5.432017 6.273840 6.762129 7.484192 6.776661 7.767919 7.972531 8.774783 8.150131 3.131276 2.211613 3.599824 6.118330 6.187515 6.822279 7.408472 7.743028 6.810497 7.287603 6.841840 7.651778 0.962478 1.526931 0.000000 5.507045 6.387749 5.924360 4.160340 5.928215 3.666579 4.634859 6.314422 6.585137 2.501365 2.935143 6.190454 3.023394 4.002339 4.850544 4.156609 4.177309 6.281269 5.631290 6.124283 4.874161 5.773700 5.034529 3.935771 3.735848 3.974035 2.753352 3.003053 3.349969 5.929872 6.009598 5.727865 4.749734 4.003216 5.111834 3.815611 3.317759 3.495579 0.000000 5.324019 6.149180 5.960950 3.980766 5.595355 3.253875 4.789729 5.631536 6.013434 2.888003 3.006972 5.471733 3.393593 3.407071 4.202881 4.499852 4.601600 5.553032 4.854566 5.515659 5.385245 6.293719 5.402316 3.651852 3.332353 3.546855 3.047480 3.154132 3.831096 5.829445 5.864538 5.494965 4.440861 3.852934 4.790893 3.223273 2.552641 3.098941 0.989306 0.000000 4.863162 5.877593 5.148294 3.605821 5.268735 3.693544 4.493965 6.273611 6.452052 2.959420 3.539292 6.058467 3.181756 4.200394 4.943726 4.019710 3.818460 5.991802 5.384426 5.700535 4.205332 5.144037 4.287097 4.620981 4.535825 4.516959 1.785348 2.151618 2.386467 5.790372 5.740480 5.710887 4.037525 3.205122 4.386904 4.692652 4.093965 4.440196 0.979788 1.552857 0.000000 4.709676 5.546446 5.747110 4.103851 3.985147 4.304184 6.627600 4.533422 5.103178 6.183291 6.085175 3.786845 6.281865 4.198588 4.161811 6.799343 6.705869 2.829673 1.869251 3.074414 7.030838 7.906975 6.515497 6.136549 5.818511 5.509181 4.269554 4.154769 5.191386 6.802031 6.374829 6.386377 2.696949 3.087369 2.969549 5.359866 4.387279 5.726814 4.531955 3.735994 4.339599 0.000000 5.567646 6.411486 6.570068 5.040194 4.706796 5.230124 7.582128 5.260728 5.886592 6.990600 6.873777 4.476905 7.158623 5.055618 4.995655 7.733324 7.632848 3.365313 2.423188 3.711402 7.905879 8.792904 7.386501 6.862482 6.448256 6.277419 4.986734 4.984706 5.885001 7.748768 7.315416 7.309267 3.138548 3.642572 3.542668 5.759586 4.803478 6.108876 5.185984 4.385343 5.032352 0.962528 0.000000 4.224024 5.248397 5.100639 3.719917 3.440868 4.429712 6.476278 4.916392 5.329382 6.178633 6.240079 4.137947 6.188370 4.536060 4.540323 6.590888 6.358526 3.039600 2.214479 2.972698 6.453777 7.332323 5.896462 6.514430 6.274860 5.902419 3.600278 3.549737 4.465489 6.759166 6.259607 6.477639 1.711835 2.164315 2.095243 5.934837 4.963941 6.194417 4.415159 3.782573 4.018401 0.988978 1.555794 0.000000 5.320938 5.962742 6.294254 4.112691 5.330828 3.023178 5.323123 4.560850 5.160508 3.963493 3.670786 4.349255 4.371117 2.744042 3.306814 5.334247 5.549222 4.459050 3.707241 4.694125 6.433990 7.313487 6.258783 3.635945 3.181826 3.248130 4.086247 3.961225 5.005268 5.865953 5.829368 5.317413 4.427187 4.188443 4.680351 2.787508 1.842207 3.139027 2.696078 1.710608 3.080295 2.723426 3.335632 3.191551 0.000000 5.055279 5.792728 6.068302 4.012419 4.814619 3.402451 5.783647 4.471556 5.091658 4.752586 4.549806 4.054268 5.044857 3.181314 3.508732 5.850235 5.940097 3.818095 2.965175 4.073937 6.613574 7.510797 6.311570 4.552483 4.138855 4.062055 3.991333 3.890882 4.950387 6.200631 6.013565 5.692119 3.707117 3.638839 4.001597 3.653482 2.680508 4.003737 3.222327 2.280861 3.361716 1.754829 2.365208 2.297310 0.981728 0.000000 2.019127 2.674348 2.573576 3.168118 0.963026 5.142689 6.019969 4.767684 4.429281 7.568881 7.772516 4.100830 6.986195 5.642786 5.222294 6.461245 5.980306 3.298376 3.726056 2.342035 5.546874 6.017309 4.611471 8.202696 8.453271 7.384294 4.833010 4.206524 5.173155 5.651442 4.743003 5.819951 3.432449 3.836859 2.467927 8.902055 8.037070 9.263563 6.847948 6.539484 6.148838 4.723350 5.347253 4.151850 6.266905 5.708160 0.000000 4.783188 5.246601 5.838035 3.571851 4.944423 2.135226 4.592849 3.723042 4.284788 3.665275 3.269889 3.645045 3.912821 1.766084 2.355455 4.739446 5.035576 4.067713 3.483576 4.286340 6.060298 6.881300 5.860233 3.123597 2.893065 2.532244 4.176887 3.827680 5.067085 4.969013 4.957742 4.372829 4.607688 4.382654 4.658314 3.028257 2.214204 3.524742 3.000147 2.123927 3.315981 3.014526 3.771876 3.460741 0.981415 1.554775 5.887580 0.000000 5.519622 6.145925 5.915565 4.128148 6.243821 3.176753 3.589445 6.106292 6.268333 1.045531 1.663029 6.203602 1.698667 3.580068 4.525786 3.044110 3.320802 6.658033 6.163098 6.485308 4.451826 5.230803 4.772008 2.984352 3.091551 3.150909 3.458428 3.388127 3.894079 5.018602 5.298050 4.840027 5.698008 4.952647 5.852600 3.824365 3.566842 3.583185 1.456908 1.950642 1.982064 5.427960 6.192111 5.378034 3.290287 4.015887 7.165861 3.197312 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6537,.3106,.2233;-2.8367,.6423,1.5825;-3.3107,1.2791,-.562;-1.2689,.3834,-.0548;-3.1001,-1.0261,-.0821;.7648,.2629,1.1207;.3108,2.8844,1.0417;-.5184,-1.5374,3.1548;-1.1414,-.8188,3.3069;2.7926,2.0525,-.5665;3.233,1.5655,.2253;-.9674,-2.1187,2.4926;1.9153,2.4971,-.2353;1.2951,-.3734,1.6124;.6511,-.8159,2.2265;.7169,3.2263,.2177;-.0061,3.2564,-.4469;-1.7359,-3.0648,1.2989;-1.082,-3.2794,.6082;-2.3007,-2.3954,.8712;-1.3366,3.4475,-1.5917;-1.7531,4.2772,-1.3363;-1.9834,2.7733,-1.3532;3.8075,.7533,1.3756;4.2679,.0014,.9387;2.9739,.3562,1.695;-.4051,.3951,-2.7942;-.6846,.5622,-1.8828;-.7592,1.1332,-3.3016;-.4571,2.3679,2.5939;-1.2606,1.8944,2.3476;.1363,1.6732,2.8975;-1.8395,-2.1052,-2.4443;-1.3678,-1.312,-2.7459;-2.3839,-1.7797,-1.7068;4.84,-1.4477,.0547;3.9528,-1.7763,-.1822;5.177,-1.0749,-.7661;2.2828,.2433,-2.2168;2.2509,-.5683,-1.6521;1.3592,.3573,-2.5235;-.0397,-3.4315,-.9361;.0333,-4.3321,-1.268;-.6682,-2.9714,-1.5454;2.1461,-1.8578,-.5329;1.4349,-2.4983,-.7512;-4.0559,-1.1227,-.0145;1.8195,-1.3829,.2614;2.5614,1.3204,-1.2762; 0.2372758 0.1867343 0.1634982 -24.64443 -24.63996 -24.63896 -19.15578 -19.13972 -19.13733 -19.13560 -19.12785 -19.12721 -19.12518 -19.12469 -19.12415 -19.12341 -19.12294 -19.12218 -19.11680 -19.11533 -19.11531 -6.84714 -1.19960 -1.15504 -1.15139 -1.06341 -1.03325 -1.03099 -1.02930 -1.02590 -1.02380 -1.02138 -1.01785 -1.01229 -1.00941 -1.00771 -1.00419 -1.00092 -0.99439 -0.99391 -0.57530 -0.56638 -0.55829 -0.54864 -0.54529 -0.54200 -0.54121 -0.53857 -0.53749 -0.53541 -0.53257 -0.53182 -0.53059 -0.52728 -0.52591 -0.52210 -0.52140 -0.50050 -0.49612 -0.44460 -0.44154 -0.43806 -0.42927 -0.42591 -0.42045 -0.41694 -0.41471 -0.41186 -0.40699 -0.40503 -0.40384 -0.39677 -0.39630 -0.39251 -0.38942 -0.38576 -0.38267 -0.37331 -0.36866 -0.35175 -0.33651 -0.33432 -0.33329 -0.33101 -0.32791 -0.32753 -0.32643 -0.32515 -0.32369 -0.32341 -0.32073 -0.31916 -0.31729 -0.31457 -0.01175 0.01467 0.01648 0.01853 0.03898 0.05338 0.06095 0.06667 0.06745 0.07361 0.09042 0.09553 0.09954 0.10370 0.10796 0.10987 0.11251 0.12601 0.12879 0.13457 0.13607 0.14252 0.14413 0.14728 0.14775 0.14977 0.15447 0.15671 0.16005 0.16686 0.17126 0.17639 0.17988 0.18128 0.18775 0.18924 0.19124 0.19808 0.20190 0.20370 0.20457 0.20760 0.21200 0.21424 0.21710 0.21992 0.22649 0.22724 0.22950 0.23349 0.24132 0.24187 0.24488 0.24970 0.25358 0.25586 0.25870 0.25983 0.26345 0.26690 0.26907 0.27305 0.27707 0.28012 0.28323 0.28612 0.29150 0.29409 0.29522 0.29879 0.29978 0.30436 0.30603 0.31395 0.31649 0.31819 0.32568 0.32796 0.33062 0.33566 0.34209 0.34510 0.35137 0.36024 0.36257 0.37063 0.38286 0.38524 0.39560 0.40345 0.41271 0.41403 0.42482 0.43753 0.45025 0.45174 0.45798 0.46710 0.47967 0.48135 0.48780 0.49775 0.50284 0.50930 0.51426 0.52607 0.53173 0.53594 0.53793 0.54647 0.55023 0.55203 0.56059 0.56717 0.57155 0.58057 0.58256 0.58855 0.59570 0.59953 0.60064 0.60477 0.60720 0.61144 0.61827 0.62792 0.63186 0.64331 0.64729 0.65266 0.65637 0.66529 0.67363 0.67473 0.67909 0.69188 0.70047 0.70720 0.71175 0.71797 0.72144 0.73276 0.74485 0.81134 0.94447 0.95063 0.95782 0.96014 0.96627 0.97071 0.97438 0.98491 0.98709 0.99100 1.00220 1.00744 1.00898 1.02060 1.02624 1.02971 1.03898 1.04450 1.04557 1.04769 1.05214 1.06102 1.06959 1.07402 1.07871 1.08246 1.09032 1.09291 1.09609 1.10374 1.10905 1.10921 1.11767 1.12539 1.13369 1.13691 1.14104 1.14850 1.15970 1.16282 1.16824 1.17165 1.18052 1.18740 1.20726 1.21027 1.21905 1.22636 1.23585 1.24961 1.25643 1.26532 1.27741 1.29141 1.29324 1.30108 1.30941 1.31403 1.31706 1.32666 1.32807 1.33587 1.34536 1.35344 1.35833 1.36975 1.37162 1.38259 1.38742 1.39110 1.39380 1.40253 1.40503 1.41155 1.41495 1.42183 1.43436 1.43924 1.44593 1.44863 1.45825 1.47258 1.47824 1.48086 1.49028 1.50039 1.50315 1.50374 1.52317 1.52483 1.53634 1.53695 1.53789 1.54926 1.55955 1.56878 1.57411 1.58891 1.59348 1.60051 1.60365 1.61868 1.61981 1.63440 1.64597 1.65007 1.65590 1.66974 1.67046 1.67369 1.69150 1.69408 1.70665 1.70906 1.71492 1.73258 1.73776 1.75145 1.75742 1.76345 1.76508 1.78064 1.79051 1.80726 1.80852 1.81937 1.83080 1.83285 1.85035 1.86476 1.88014 1.88614 1.91097 2.01651 2.02616 2.03324 2.04163 2.04864 2.05347 2.05831 2.09016 2.12536 2.13924 2.15136 2.16678 2.19724 2.21960 2.22882 2.23671 2.25144 2.25684 2.27562 2.28362 2.30634 2.30682 2.32458 2.33408 2.33822 2.35442 2.37093 2.39659 2.40230 2.40518 2.41579 2.43622 2.46295 2.47658 2.50340 2.52163 2.54127 2.60156 2.60573 2.61897 2.63666 2.65280 2.68666 2.69385 2.70875 2.71722 2.71925 2.72165 2.73234 2.73834 2.74486 2.74845 2.76272 2.76312 2.78756 2.79113 2.80053 2.81114 2.81984 2.83283 2.85387 2.87352 2.88332 2.89423 2.91251 2.93192 2.95463 3.07249 3.08269 3.08700 3.08799 3.09422 3.09675 3.09946 3.10403 3.11017 3.11244 3.11901 3.12639 3.13009 3.13641 3.14064 3.14862 3.15184 3.15274 3.16139 3.16823 3.17604 3.18014 3.18601 3.18840 3.20576 3.21449 3.22384 3.24089 3.25941 3.30431 3.30735 3.31144 3.31735 3.32205 3.33068 3.33163 3.33402 3.33662 3.34393 3.35491 3.36538 3.37022 3.37693 3.40762 3.53865 3.55214 3.66722 3.69253 3.69495 3.70017 3.70433 3.71577 3.72928 3.73665 3.73803 3.75751 3.76366 3.77364 3.78495 3.81053 3.81336 3.82579 3.84385 3.85370 3.85809 3.87676 3.89500 3.90053 3.90511 3.90981 3.92066 3.92551 3.92935 3.93058 3.94199 3.94551 3.95266 3.95911 3.96343 3.97619 3.98071 3.98849 4.01192 4.02420 4.11550 4.24552 4.25860 4.38024 4.66304 4.70081 4.98383 5.00272 5.02170 5.02521 5.02880 5.03284 5.03852 5.04814 5.06708 5.07721 5.08988 5.11375 5.13575 5.14182 5.19906 5.33735 5.36812 5.38126 5.40339 5.41524 5.41959 5.42757 5.45286 5.46145 5.49338 5.50301 5.51208 5.51770 5.56880 5.59406 5.62641 5.63017 5.64811 5.65784 5.68662 5.69471 5.70311 5.72468 5.73112 5.73581 5.76596 5.77723 5.78379 5.80429 5.85005 6.35430 6.38989 6.41200 6.43524 6.50395 6.55758 6.56306 6.64282 6.69119 14.60165 49.88523 49.88824 49.90185 49.90657 49.91038 49.92074 49.93159 49.93886 49.94476 49.95137 49.95337 49.96885 49.97164 49.97820 50.00455 66.85003 66.86307 66.88322 1-A. -2.2904 1.5867 -5.0934 5.8057 -144.2642 -130.6003 -139.1051 -9.3373 -4.9790 2.8060 -6.2743 7.3895 -1.1152 -9.3373 -4.9790 2.8060 -102.3182 -9.8733 -28.7769 -42.5746 10.2308 -51.8758 -10.6316 33.8844 -80.9826 21.8400 -4335.5043 -2661.6841 -2242.7491 145.4946 -301.1455 -337.1707 65.4379 -4.0352 -14.5759 -1336.2797 -1167.9507 -1004.9877 0.1184 40.4356 -90.5757 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.4731,-.8575,-1.7331;2.4458,-1.4962,-.9013;1.0015,-1.827,-2.6624;.37,-.4905,-.8886;1.9609,.3291,-2.3673;.4662,-.1376,.9299;-.5625,-2.9837,.8053;3.3738,.3988,1.2147;3.3274,-.3525,.6043;-2.7733,-1.2386,1.8223;-2.18,-.9778,2.6171;3.2438,1.1774,.6255;-2.2657,-1.953,1.2744;.7205,.1036,1.8363;1.6913,.2645,1.7691;-1.513,-3.0498,.5601;-1.5497,-2.959,-.419;2.8795,2.3624,-.6562;2.0737,2.8965,-.513;2.5969,1.6802,-1.2986;-1.6077,-2.8259,-2.1944;-1.6411,-3.7102,-2.5811;-.7237,-2.4888,-2.4178;-1.2203,-.4721,3.7213;-1.5689,.4245,3.928;-.4284,-.3022,3.1697;-2.0235,.3197,-2.0131;-1.2294,-.1291,-1.6739;-2.4885,-.3565,-2.5232;1.134,-2.7845,1.3811;1.6314,-2.5279,.5884;1.0249,-1.9431,1.8554;-.0912,2.2466,-2.837;-.8844,1.6957,-2.7053;.6468,1.6101,-2.7557;-2.1655,2.1339,4.014;-1.7915,2.3976,3.1491;-3.1217,2.1295,3.8816;-2.9882,.9348,.5082;-2.2591,1.4956,.8654;-2.7324,.7467,-.4209;.3585,3.6524,-.536;.2848,4.6015,-.695;.1196,3.2123,-1.3885;-.8895,2.3754,1.5617;-.4877,2.9177,.848;2.5926,.1397,-3.0716;-.253,1.6475,1.7201;-2.874,-.3817,1.2549; 0.000000 1.430375 0.000000 1.423359 2.301498 0.000000 1.436883 2.306692 2.309002 0.000000 1.431189 2.390840 2.378281 2.321468 0.000000 2.936539 3.019572 4.005625 1.854916 3.650130 0.000000 3.886808 3.764933 3.976022 3.155185 5.235212 3.028870 0.000000 3.725671 2.988285 5.061046 3.773337 3.851270 2.970396 5.206117 0.000000 3.026019 2.086181 4.272618 3.315779 3.340988 2.887715 4.700575 0.969125 0.000000 5.551408 5.892690 5.891409 4.217770 6.513380 3.535984 2.994596 6.390443 6.283963 0.000000 5.681801 5.834827 6.222221 4.362313 6.610525 3.248787 3.150027 5.891165 5.896911 1.025562 0.000000 3.583232 3.180645 4.986496 3.651516 3.364928 3.088239 5.642301 0.985065 1.532335 6.593613 6.166718 0.000000 4.921754 5.209676 5.117549 3.710104 6.027833 3.298147 2.045330 6.110570 5.856124 1.033577 1.661706 6.369921 0.000000 3.772370 3.609801 4.903578 2.810945 4.388642 0.971913 3.498727 2.741058 2.919224 3.742858 3.192465 2.997669 3.669253 0.000000 3.683940 3.286361 4.948548 3.062563 4.145662 1.538472 4.069343 1.776557 2.101015 4.711181 4.153194 2.133393 4.562921 0.986303 0.000000 4.356745 4.496805 4.266451 3.492075 5.661674 3.540408 0.983825 6.016814 5.541398 2.542013 2.994832 6.364023 1.509831 4.069564 4.765869 0.000000 3.908902 4.282024 3.580843 3.162118 5.189508 3.720631 1.572891 6.179340 5.623774 3.079082 3.679734 6.417024 2.095812 4.429446 5.067772 0.984049 0.000000 3.675005 3.890680 5.010282 3.806642 2.811791 3.819660 6.524136 2.756939 3.026572 7.145979 6.889794 1.783207 6.987388 3.996998 3.419790 7.075668 6.927516 0.000000 3.992752 4.425522 5.299171 3.809882 3.169076 3.724460 6.577545 3.303590 3.657283 6.785761 6.549866 2.370748 6.748572 3.892340 3.504446 7.026652 6.886490 0.977243 0.000000 2.809247 3.204747 4.087275 3.136750 1.836356 3.579203 6.013357 2.926168 2.878591 6.862930 6.724310 2.091305 6.592908 3.979251 3.497855 6.535983 6.284078 0.978745 1.539618 0.000000 3.684887 4.457677 2.832805 3.327214 4.766404 4.613965 3.180437 6.843689 6.189157 4.473506 5.185877 6.893159 3.636958 5.499957 6.011890 2.765214 1.781270 7.029876 7.008953 6.227851 0.000000 4.307507 4.942250 3.245950 4.156340 5.416218 5.434184 3.627446 7.512719 6.790190 5.175000 5.897228 7.617952 4.282816 6.295707 6.769530 3.212433 2.290653 7.811322 7.856493 6.975776 0.965699 0.000000 2.820543 3.651088 1.863854 2.743663 3.892256 4.260359 3.264844 6.190538 5.487083 4.872695 5.454756 6.200314 4.037039 5.186929 5.562606 3.131452 2.213257 6.294430 6.360403 5.446030 0.972166 1.536266 0.000000 6.095310 5.988086 6.893765 4.876569 6.916160 3.278441 3.904401 5.305362 5.514674 2.570161 1.547914 5.677385 3.045249 2.766091 3.582047 4.089405 4.841032 6.633630 6.334554 6.663566 6.378560 7.098059 6.480953 0.000000 6.553250 6.567287 7.423620 5.272251 7.218037 3.666948 4.730816 5.638541 5.968676 2.941173 2.014527 5.885200 3.630413 3.117635 3.913531 4.839053 5.508645 6.675233 6.253116 6.800644 6.931839 7.711619 7.033594 0.983980 0.000000 5.287775 5.124370 6.195371 4.140366 6.063449 2.417442 3.577564 4.332420 4.548608 2.861976 1.956958 4.706051 3.113360 1.806226 2.603060 3.941468 4.603734 5.716593 5.482123 5.748738 6.044231 6.793810 6.007353 0.979921 1.550494 0.000000 3.700013 4.950555 3.765716 2.765716 4.000105 3.881788 4.581489 6.289323 5.994519 4.207278 4.811079 5.953324 4.003960 4.732255 5.301608 4.270274 3.676287 5.482010 5.067233 4.869240 3.178131 4.087617 3.121044 5.844260 5.959367 5.458179 0.000000 2.799542 3.996616 2.972725 1.817992 3.296786 3.107161 3.839236 5.460056 5.099447 3.979754 4.476196 5.196518 3.618458 4.022193 4.532016 3.688021 3.112123 4.911820 4.627338 4.249134 2.772496 3.717053 2.525334 5.406100 5.639409 4.912372 0.973156 0.000000 4.070550 5.317596 3.789723 3.295528 4.504603 4.549907 4.657306 6.993517 6.603481 4.443338 5.186913 6.717644 4.125610 5.432800 6.023279 4.208595 3.475890 6.300243 5.952856 5.613313 2.642321 3.459549 2.769909 6.373071 6.563072 6.054400 0.966300 1.535712 0.000000 3.677807 2.930829 4.157462 3.316356 4.942554 2.766859 1.802641 3.895834 3.365886 4.225118 3.971646 4.551798 3.501550 2.952842 3.123666 2.784093 3.236231 5.804131 6.061670 5.408738 4.505895 4.925178 4.239167 4.045497 4.908154 3.435337 5.579091 4.687197 5.853342 0.000000 2.864334 1.986657 3.384627 2.814973 4.123986 2.681009 2.251191 3.463233 2.758514 4.752502 4.587437 4.041157 3.998552 3.051554 3.032348 3.187513 3.364473 5.198292 5.552725 4.711828 4.280686 4.706634 3.819046 4.708850 5.487410 3.982369 5.313609 4.365340 5.600938 0.970369 0.000000 3.775775 3.133371 4.519372 3.173173 4.885736 2.104429 2.169240 3.378211 3.065465 3.863153 3.432638 4.021681 3.341537 2.069323 2.307611 3.056711 3.582387 5.318390 5.489150 5.054454 4.910277 5.469242 4.649286 3.268966 4.077886 2.555743 5.420153 4.563812 5.833840 0.971980 1.521557 0.000000 3.647061 4.918520 4.221210 3.391187 2.847530 4.492708 6.390965 5.642437 5.503109 6.407074 6.671368 4.924871 6.266546 5.204950 5.321824 6.450855 5.922118 3.686994 3.241957 3.148547 5.333176 6.160388 4.795758 7.188746 7.160273 6.533782 2.850535 2.879638 3.552693 6.678727 6.123432 6.388900 0.000000 3.608649 4.953146 3.996067 3.106966 3.174589 4.289499 5.858768 5.931397 5.734821 5.716490 6.095428 5.329680 5.573143 5.073203 5.357502 5.794657 5.228369 4.337063 3.872814 3.754857 4.607531 5.460009 4.197465 6.790726 6.788632 6.222140 1.915746 2.124360 2.611098 6.391051 5.917526 6.138975 0.974704 0.000000 2.796033 4.040366 3.456671 2.823971 1.875845 4.082918 5.936835 4.966672 4.725095 6.385213 6.599572 4.285323 6.117235 4.833363 4.834734 6.113413 5.582188 3.155674 2.953026 2.435333 5.007607 5.793999 4.335130 7.054982 7.140480 6.318413 3.057286 2.777640 3.708333 6.054993 5.410683 5.833557 0.977889 1.534457 0.000000 7.430840 7.655238 8.384162 6.111662 7.810689 4.647352 6.249502 6.444459 6.926837 4.067809 3.410924 6.454278 4.921267 4.146539 4.838362 6.263059 6.780042 6.878624 6.248701 7.149220 7.965896 8.827456 8.050920 2.787568 1.812558 3.108903 6.295850 6.192745 7.003019 6.481482 6.919830 5.608967 7.159124 6.854416 7.349312 0.000000 6.714789 7.037166 7.708534 5.414411 6.984979 4.055755 5.996867 5.866606 6.343651 3.993289 3.439054 5.762907 4.761016 3.646327 4.310940 6.037705 6.440697 6.024881 5.347802 6.289268 7.474700 8.376273 7.483802 2.981415 2.132894 3.024442 5.569494 5.473668 6.343955 6.207878 6.521767 5.333579 6.224751 5.965676 6.436707 0.978569 0.000000 7.845935 8.186512 8.687861 6.466149 8.253694 5.169669 6.492968 7.231833 7.648030 3.963110 3.484429 7.213055 4.919079 4.801055 5.577291 6.359637 6.845386 7.527280 6.847806 7.729122 7.985338 8.835157 8.170792 3.226408 2.306596 3.697855 6.263258 6.288504 6.899458 6.964963 7.424857 6.155161 7.371409 6.969982 7.650116 0.965344 1.542060 0.000000 5.304621 6.117613 5.796442 3.906408 5.755824 3.641516 4.618168 6.423528 6.446197 2.548942 2.959528 6.237829 3.073917 4.026107 4.892523 4.249241 4.253354 6.150071 5.523914 5.917266 4.832505 5.738872 5.040956 3.927988 3.737603 3.894368 2.768772 2.997835 3.332710 5.620315 5.773872 5.118837 4.615659 3.915570 4.931759 3.795432 3.247438 3.581127 0.000000 5.120356 5.848748 5.840946 3.732674 5.442371 3.177798 4.790241 5.749272 5.890006 2.942173 3.031908 5.517256 3.472844 3.429031 4.235262 4.616307 4.690024 5.428712 4.757617 5.319552 5.334981 6.273774 5.386322 3.620396 3.317089 3.448627 3.118317 3.185570 3.868554 5.486161 5.603647 4.856873 4.355655 3.831401 4.644258 3.214052 2.499472 3.200515 0.986765 0.000000 4.688403 5.663477 5.058691 3.372512 5.098027 3.582918 4.486421 6.331026 6.243418 2.995911 3.536750 6.082375 3.221893 4.175085 4.959575 4.106398 3.889835 5.844536 5.265767 5.481180 4.144102 5.071576 4.300118 4.574942 4.513374 4.393260 1.794397 2.143812 2.386675 5.537649 5.548345 5.151104 3.881145 3.087727 4.197070 4.681296 4.044200 4.535978 0.981913 1.561895 0.000000 4.797409 5.567670 5.912677 4.157902 4.119016 4.065069 6.832716 4.768964 5.114062 6.268417 6.150198 3.974848 6.448713 4.284040 4.309002 7.044417 6.882271 2.834358 1.874489 3.079253 6.970320 7.898671 6.513617 6.134250 5.836247 5.476328 4.354656 4.256348 5.303433 6.760955 6.409456 6.121511 2.733796 3.174864 3.030038 5.420291 4.447124 5.826340 4.435816 3.669818 4.243865 0.000000 5.682514 6.472643 6.760971 5.096388 4.884658 5.013250 7.778503 5.554450 5.957142 7.056718 6.940770 4.714204 7.303886 5.179652 5.182626 7.959283 7.784780 3.427410 2.477966 3.774174 7.810035 8.737898 7.365991 6.892835 6.500486 6.284191 5.039817 5.062617 5.967903 7.719108 7.368134 7.062911 3.205550 3.721856 3.650451 5.853952 4.893427 6.217773 5.060169 4.307326 4.902911 0.965147 0.000000 4.302880 5.274422 5.272207 3.744770 3.558391 4.088640 6.608249 5.028208 5.193193 6.203979 6.236143 4.237679 6.281864 4.519363 4.596742 6.758429 6.466156 2.979195 2.164464 2.914278 6.331931 7.241782 5.854360 6.440501 6.236003 5.781754 3.653782 3.614753 4.563580 6.682936 6.256533 6.158007 1.753722 2.245491 2.171255 5.964194 4.990502 6.281043 4.294484 3.699294 3.892179 0.988699 1.561418 0.000000 5.185419 5.672698 6.251298 3.975319 5.267745 2.924388 5.422072 4.712005 5.112730 4.083837 3.744703 4.404038 4.550999 2.797928 3.340542 5.551920 5.728348 4.373127 3.654608 4.562866 6.455752 7.400052 6.286788 3.589082 3.141171 3.157144 4.276724 4.105678 5.167791 5.545356 5.598578 4.732893 4.472420 4.320769 4.645972 2.775013 1.825908 3.228806 2.754877 1.770418 3.159005 2.754755 3.380474 3.228306 0.000000 4.975879 5.581096 6.087179 3.920135 4.799523 3.201840 5.902105 4.625017 5.030779 4.842419 4.600936 4.123372 5.202682 3.218048 3.554711 6.061800 6.104833 3.729452 2.900586 3.956584 6.595463 7.551047 6.320763 4.503725 4.107499 3.970081 4.158650 4.024107 5.107757 5.952260 5.849191 5.189471 3.766620 3.778486 3.997931 3.667862 2.695420 4.094119 3.209352 2.271667 3.370796 1.780828 2.411005 2.336103 0.982306 0.000000 2.009829 2.721734 2.562606 3.178431 0.964825 4.539828 5.894076 4.364587 3.780711 7.392134 7.509130 3.894793 6.846211 5.252953 4.925394 6.341758 5.813426 3.294958 3.796807 2.348726 5.216012 5.743360 4.281807 7.813804 8.148226 6.947990 4.739325 4.078435 5.134656 5.523102 4.629831 5.574118 3.420054 3.826944 2.459330 8.764865 7.938195 9.217338 6.677795 6.393516 5.979143 4.874416 5.557171 4.288399 6.212110 5.706947 0.000000 4.602023 4.902850 5.731691 3.429927 4.831808 2.080454 4.730873 3.868867 4.250181 3.833100 3.377900 3.694094 4.148968 1.828879 2.386473 4.999772 5.241844 3.996235 3.458274 4.151565 6.096700 7.009394 5.869648 3.071389 2.846483 2.435871 4.339840 3.953320 5.198001 4.656293 4.718643 3.813631 4.599164 4.470477 4.565425 3.026021 2.229731 3.624113 3.075393 2.185848 3.397472 3.079515 3.853327 3.500059 0.979810 1.558540 5.773277 0.000000 5.296357 5.847344 5.696849 3.889718 6.082930 3.364784 3.509390 6.296465 6.235496 1.032699 1.640882 6.344612 1.685106 3.673415 4.639344 3.074695 3.346416 6.654662 6.192828 6.379872 4.413115 5.226278 4.749006 2.970849 3.081938 3.106971 3.448946 3.368449 3.797862 4.674750 5.034751 4.242619 5.603213 4.894646 5.696317 3.800352 3.533238 3.642332 1.517842 2.013473 2.025285 5.470890 6.213923 5.372683 3.410772 4.092196 6.991006 3.347185 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4216,.4734,.3244;-2.4212,.6893,1.7383;-3.0205,1.613,-.2827;-1.0486,.4261,-.0967;-3.0469,-.7548,-.0614;.3925,-.0784,.9565;.4985,2.9483,.9988;-1.0158,-1.5635,3.1092;-1.5802,-.7941,2.9402;2.8543,1.9562,-.5611;3.1748,1.4536,.2735;-1.2991,-2.2077,2.4199;2.019,2.5035,-.2949;.9986,-.4594,1.6138;.3966,-.9256,2.2407;.8532,3.3427,.1702;.1078,3.3452,-.4722;-1.939,-3.1034,1.017;-1.2758,-3.3514,.3434;-2.3802,-2.3186,.6332;-1.2532,3.3766,-1.621;-1.6657,4.2496,-1.6053;-1.9038,2.7853,-1.2061;3.5606,.576,1.4888;4.0563,-.1688,1.0791;2.6793,.1978,1.6902;-.4221,.5398,-2.7882;-.6822,.6741,-1.8601;-.6498,1.3688,-3.2293;-.013,2.1571,2.5357;-.9008,1.8131,2.3483;.5471,1.3646,2.4804;-1.9443,-1.8464,-2.4491;-1.4501,-1.0768,-2.7862;-2.4031,-1.497,-1.6593;4.716,-1.5873,.1636;3.8442,-1.8916,-.1603;5.1724,-1.2577,-.6206;2.2397,.0836,-2.1776;2.1739,-.712,-1.5976;1.3228,.2483,-2.4881;-.1789,-3.4956,-1.1697;-.1288,-4.3521,-1.6119;-.779,-2.9368,-1.722;2.0463,-2.0451,-.4396;1.3179,-2.6326,-.7381;-4.006,-.7303,.041;1.6957,-1.5823,.3496;2.5821,1.2269,-1.2398; 0.2370790 0.1978303 0.1708752 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= 614 612 614 614 614 MxSgAt= 49 MxSgA2= 49. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 598 RedAO= T EigKep= 9.74D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 616 616 616 616 616 MxSgAt= 49 MxSgA2= 49. 1 -9.01099726e-01 6.24264106e-01 -2.00389404e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 0.002019852 0.006937135 -0.001594098 0.006331690 -0.006037278 0.005322791 -0.005169418 -0.007256245 -0.006418824 -0.008446732 0.003070878 0.007190004 -0.000171882 0.004908069 -0.000190520 -0.000585122 -0.002744230 -0.003826448 0.002007017 -0.000375936 0.000350388 0.001516775 0.000391559 0.002067561 0.001234220 -0.002764886 -0.001098889 -0.000569704 -0.000502880 0.000790391 -0.001316313 -0.001032926 -0.001867706 0.000202518 0.001209584 -0.000990410 -0.001766800 0.001528351 0.001018996 -0.000797551 0.000276345 0.002445854 -0.001012483 0.000175594 0.000457677 -0.000057312 -0.001671549 0.000237931 -0.000260558 -0.000302709 -0.001291957 0.002738618 0.001656160 0.001637290 -0.002571622 0.002159512 0.000165611 -0.001798756 -0.003522912 -0.003290874 -0.002838446 0.001211084 0.001542628 -0.000218081 -0.003388831 -0.000940282 0.005106683 0.003750978 -0.002218135 0.000081079 -0.000409648 0.002574746 -0.000208774 0.000759543 0.000845025 0.002455391 0.000481241 -0.001535045 -0.000712840 0.003556085 0.000205150 0.005166602 -0.002298368 0.001147085 -0.001614780 -0.001933235 -0.001852935 -0.002113588 -0.002653337 0.000521792 0.002080153 0.002467243 -0.005391855 0.000609387 0.002762597 0.003410511 -0.000531008 0.002742742 -0.001194306 -0.003368505 -0.002251154 0.000590895 0.004113844 -0.003786940 0.000641669 0.000924515 -0.000226855 0.002552101 0.001685963 0.000441553 -0.003496798 -0.003659814 0.000286857 0.000215128 -0.002201033 0.001954068 -0.000191088 0.000549894 0.001111277 0.000328471 0.000120416 -0.000134202 -0.002160661 0.001049686 -0.000927767 0.001656993 0.000012842 0.002945341 0.000025066 -0.000226291 0.000084072 -0.001028170 -0.001399543 0.001542689 0.001918643 0.000565860 0.000479186 -0.000840768 0.000567399 -0.001143345 -0.000941494 0.001730590 -0.001497296 0.001049883 0.000745961 -0.002027214 0.001450983 0.008446732 0.002504671 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1471.94425686094 -1471.94425835064 -0.000001489691 -1471.94425834232 0.000000008314 -1471.94425837269 -0.000000030364 -1471.94425837279 -0.000000000099 -1471.94425837281 -0.000000000027 -1471.94425837 6 1.467081633388e+03 -7.782090993984e+03 2.692753730419e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT120204.700S Fri Jul 19 04:22:44 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 0.896401 -0.442609 -0.422561 -0.428254 -0.800522 0.335188 0.429534 -0.733305 0.303925 -0.751486 0.484812 0.406871 0.541328 -0.842586 0.542714 -0.858448 0.446174 -0.729654 0.370784 0.368362 -0.666563 0.327284 0.334346 -0.751502 0.410112 0.352346 -0.639657 0.306836 0.331018 -0.614509 0.310286 0.306737 -0.693219 0.348856 0.358302 -0.660141 0.359791 0.296987 -0.838022 0.431272 0.433555 -0.771214 0.340249 0.419093 -0.844537 0.457887 0.317498 0.394801 0.525440 -0.00000 -24.65995 -24.65161 -24.65102 -19.16612 -19.13766 -19.13305 -19.12992 -19.12949 -19.12856 -19.12681 -19.12525 -19.12476 -19.12379 -19.12361 -19.12072 -19.12033 -19.11960 -19.11432 -6.86364 -1.20865 -1.16718 -1.16115 -1.07090 -1.03095 -1.02959 -1.02557 -1.02261 -1.02029 -1.01714 -1.01643 -1.01310 -1.00942 -1.00584 -1.00319 -1.00141 -0.99665 -0.99419 -0.58831 -0.56934 -0.56121 -0.54987 -0.54742 -0.54523 -0.54136 -0.53904 -0.53693 -0.53589 -0.53340 -0.53225 -0.52969 -0.52861 -0.52408 -0.52075 -0.51940 -0.50611 -0.50090 -0.44835 -0.44524 -0.43745 -0.43424 -0.42649 -0.42576 -0.42395 -0.41300 -0.41204 -0.40992 -0.40510 -0.40477 -0.40235 -0.39808 -0.39361 -0.39242 -0.38940 -0.38313 -0.37859 -0.37505 -0.35950 -0.33653 -0.33248 -0.33114 -0.33075 -0.32843 -0.32733 -0.32696 -0.32600 -0.32374 -0.32338 -0.32136 -0.32040 -0.32004 -0.31396 -0.00940 0.01735 0.01790 0.02172 0.04038 0.05452 0.06429 0.06700 0.07074 0.07584 0.09336 0.09908 0.10149 0.10492 0.10940 0.11076 0.11504 0.12812 0.13008 0.13409 0.13812 0.14239 0.14639 0.15076 0.15263 0.15479 0.15618 0.15908 0.16185 0.17161 0.17490 0.17847 0.18090 0.18472 0.18723 0.19163 0.19448 0.19756 0.20118 0.20436 0.20770 0.21312 0.21396 0.21718 0.21821 0.22501 0.22617 0.22743 0.23340 0.23666 0.24131 0.24276 0.24684 0.24892 0.25341 0.25686 0.25749 0.26121 0.26523 0.26632 0.26800 0.27471 0.27568 0.27900 0.28152 0.28424 0.28606 0.28872 0.29228 0.29418 0.29524 0.30354 0.30534 0.30654 0.30866 0.31355 0.31807 0.32222 0.32348 0.32879 0.33821 0.34056 0.34413 0.36305 0.37082 0.37977 0.38422 0.38645 0.39948 0.40158 0.41579 0.42364 0.43285 0.43990 0.45082 0.45500 0.46362 0.47357 0.47567 0.48830 0.50083 0.50571 0.50965 0.51433 0.51519 0.52642 0.53092 0.53555 0.53783 0.54013 0.54972 0.55580 0.55671 0.56449 0.56923 0.58297 0.58629 0.58826 0.59613 0.59954 0.60393 0.60758 0.61431 0.62359 0.63236 0.63739 0.64270 0.64669 0.65134 0.65450 0.66025 0.67278 0.67475 0.67597 0.68224 0.69389 0.70297 0.70712 0.71612 0.71932 0.72919 0.74440 0.76379 0.81934 0.94380 0.94999 0.95847 0.96186 0.96868 0.97673 0.98010 0.99059 0.99370 0.99561 1.00681 1.01103 1.01287 1.02091 1.02892 1.03622 1.04152 1.04971 1.05274 1.05453 1.06227 1.06722 1.07276 1.08003 1.08844 1.09004 1.09168 1.09640 1.10004 1.11002 1.11420 1.11982 1.12214 1.12522 1.13308 1.13600 1.14296 1.14930 1.15225 1.15858 1.16403 1.17702 1.18349 1.19436 1.19988 1.20381 1.22035 1.23607 1.25280 1.26638 1.26985 1.27385 1.28302 1.28889 1.29651 1.29898 1.31314 1.31942 1.32574 1.32806 1.33398 1.33645 1.34866 1.35290 1.35866 1.36796 1.37826 1.37948 1.38755 1.39324 1.39655 1.40450 1.40704 1.41149 1.41965 1.42849 1.43128 1.43593 1.45267 1.45521 1.46289 1.47145 1.47462 1.48534 1.49278 1.49579 1.50799 1.51514 1.51833 1.52842 1.53155 1.54150 1.54769 1.55495 1.55977 1.56826 1.57044 1.58610 1.58696 1.59836 1.60287 1.60583 1.62374 1.62897 1.63686 1.64059 1.65123 1.66594 1.67564 1.68084 1.69103 1.69508 1.70101 1.71139 1.73252 1.74139 1.75118 1.75392 1.76225 1.76714 1.77477 1.78479 1.78778 1.80747 1.81468 1.83107 1.83858 1.83940 1.84883 1.85976 1.87237 1.89005 1.89558 2.01163 2.01946 2.03112 2.04503 2.05649 2.07002 2.10286 2.11940 2.13666 2.16789 2.20689 2.21364 2.22555 2.24001 2.24553 2.25966 2.26714 2.27655 2.28747 2.28936 2.31584 2.32450 2.33170 2.34436 2.35166 2.37151 2.38110 2.39082 2.40407 2.42319 2.43305 2.44504 2.46721 2.48366 2.50245 2.52007 2.53284 2.58016 2.58831 2.61085 2.61990 2.65820 2.68514 2.69295 2.70076 2.70632 2.71380 2.72252 2.72793 2.73655 2.74902 2.74922 2.76842 2.76998 2.78208 2.78535 2.79915 2.81463 2.81718 2.82497 2.84024 2.86029 2.88273 2.88534 2.89578 2.93850 2.95997 3.07424 3.08097 3.08349 3.09259 3.09351 3.09636 3.10175 3.10622 3.11397 3.12064 3.12197 3.13065 3.13144 3.13749 3.13985 3.14287 3.14569 3.15109 3.15825 3.16169 3.16473 3.17004 3.17246 3.18264 3.18512 3.19924 3.21158 3.23262 3.23654 3.29481 3.29869 3.30945 3.31137 3.31423 3.32163 3.32927 3.34228 3.34931 3.35261 3.36053 3.36845 3.37206 3.38008 3.43048 3.53361 3.53825 3.68593 3.69489 3.70220 3.70971 3.71646 3.72109 3.72448 3.72888 3.74753 3.75496 3.75687 3.77851 3.78645 3.80634 3.81823 3.82946 3.85136 3.85364 3.85991 3.88114 3.88872 3.89998 3.90605 3.91565 3.92055 3.92243 3.93126 3.93651 3.94541 3.94694 3.95095 3.95393 3.95617 3.95910 3.97627 3.98093 4.00697 4.01683 4.09552 4.20736 4.22552 4.35613 4.65286 4.68374 4.98840 5.00172 5.02374 5.02773 5.02986 5.03843 5.04949 5.05860 5.06381 5.07627 5.08881 5.10607 5.13674 5.16908 5.19797 5.33480 5.37310 5.37414 5.40664 5.41828 5.42829 5.43047 5.44314 5.45015 5.47920 5.49634 5.51353 5.52709 5.57290 5.59652 5.64242 5.64475 5.65497 5.65592 5.67356 5.68882 5.70363 5.71914 5.73095 5.73662 5.75177 5.76386 5.78169 5.78739 5.79978 6.36286 6.40029 6.42133 6.47050 6.54417 6.56198 6.62137 6.68412 6.76766 14.57235 49.87697 49.89705 49.90030 49.91095 49.92112 49.92348 49.92802 49.93165 49.94587 49.94793 49.95204 49.96637 49.97431 49.97512 49.99745 66.84565 66.86411 66.88052 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 0.925758 -0.437615 -0.394374 -0.419706 -0.800570 0.314314 0.421270 -0.700832 0.305982 -0.678747 0.467036 0.380249 0.526275 -0.787819 0.476824 -0.842303 0.434115 -0.733750 0.369598 0.363755 -0.691224 0.336321 0.330139 -0.743359 0.407023 0.348723 -0.655762 0.304359 0.338196 -0.660567 0.317822 0.332434 -0.698192 0.345451 0.362472 -0.682052 0.369079 0.305283 -0.812577 0.410996 0.430358 -0.755533 0.346796 0.400985 -0.833893 0.465708 0.333079 0.370400 0.488074 -0.00000 -9.79889852e-01 5.59784064e-01 -3.03263279e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.4906 1.4228 -7.7082 8.2246 -135.7556 -130.5090 -148.6679 -13.4497 -4.4468 -0.0183 2.5552 7.8018 -10.3570 -13.4497 -4.4468 -0.0183 -88.2154 0.4551 -69.7269 -38.3680 27.1855 -47.9636 -3.5385 26.0530 -101.7357 15.1513 -3771.9867 -2675.9879 -2387.7085 61.7904 -295.6992 -339.8793 59.1198 17.6741 -32.8810 -1330.6641 -1135.4170 -907.0288 18.8625 50.0769 -124.7491 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.9442584 4.379E-9 1.833E-5 -3.9097922,7.3652798,-3.4554877,-2.613029,-2.7577663,10.1992432 C01 [X(B1F3H30O15)] -1.8473952 0.2696967 -2.642877 0.000048484 -0.000039066 -0.000009823 0.000009283 0.000011209 0.000004098 -0.000013434 -0.000011953 -0.000012937 -0.000059703 0.000027000 0.000033034 0.000028339 0.000043897 0.000000684 -0.000026235 0.000006904 -0.000001022 0.000001764 -0.000008200 0.000006863 0.000004126 0.000006640 -0.000006335 -0.000017913 0.000005041 0.000015000 0.000037056 -0.000021055 0.000003916 -0.000017281 -0.000016762 -0.000034042 -0.000005696 0.000022787 -0.000004299 -0.000016344 -0.000005562 0.000006479 0.000042466 -0.000019444 -0.000000795 0.000003991 0.000012918 0.000003647 0.000024740 0.000008281 0.000007022 0.000012332 -0.000009295 0.000007238 0.000015566 0.000035576 -0.000027151 -0.000040027 0.000021905 0.000020443 0.000002424 -0.000014000 0.000018606 -0.000015315 0.000007712 -0.000011870 0.000017318 -0.000022343 0.000000796 0.000036129 -0.000001222 0.000011217 -0.000008433 0.000013992 0.000024657 0.000007427 0.000013470 0.000011185 0.000003024 -0.000019367 -0.000017130 -0.000008696 0.000000138 -0.000023114 0.000019776 -0.000005950 0.000033295 -0.000003795 -0.000011573 -0.000005088 0.000000354 -0.000027017 0.000013244 0.000031461 0.000025100 -0.000011276 -0.000004282 0.000027448 -0.000002187 0.000001294 0.000011891 -0.000013218 -0.000018768 -0.000019978 0.000005233 -0.000002761 -0.000017016 -0.000000307 -0.000003720 -0.000009640 -0.000000174 0.000005561 0.000020625 0.000007839 -0.000022309 -0.000007466 -0.000001030 -0.000019284 -0.000016024 -0.000003802 0.000020655 0.000007532 -0.000001047 0.000004285 -0.000009817 -0.000020751 0.000001125 -0.000022669 -0.000001064 -0.000013670 0.000010967 0.000000307 -0.000013959 0.000002179 -0.000013495 -0.000032251 -0.000057219 -0.000005749 -0.000004290 0.000027009 -0.000003438 0.000001798 -0.000000556 -0.000001891 -0.000015492 0.000024440 -0.000008840 0.000002878 -0.000001467 0.000007072 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.4731,-.8575,-1.7331;2.4458,-1.4962,-.9013;1.0015,-1.827,-2.6624;.37,-.4905,-.8886;1.9609,.3291,-2.3673;.4662,-.1376,.9299;-.5625,-2.9837,.8053;3.3738,.3988,1.2147;3.3274,-.3525,.6043;-2.7733,-1.2386,1.8223;-2.18,-.9778,2.6171;3.2438,1.1774,.6255;-2.2657,-1.953,1.2744;.7205,.1036,1.8363;1.6913,.2645,1.7691;-1.513,-3.0498,.5601;-1.5497,-2.959,-.419;2.8795,2.3624,-.6562;2.0737,2.8965,-.513;2.5969,1.6802,-1.2986;-1.6077,-2.8259,-2.1944;-1.6411,-3.7102,-2.5811;-.7237,-2.4888,-2.4178;-1.2203,-.4721,3.7213;-1.5689,.4245,3.928;-.4284,-.3022,3.1697;-2.0235,.3197,-2.0131;-1.2294,-.1291,-1.6739;-2.4885,-.3565,-2.5232;1.134,-2.7845,1.3811;1.6314,-2.5279,.5884;1.0249,-1.9431,1.8554;-.0912,2.2466,-2.837;-.8844,1.6957,-2.7053;.6468,1.6101,-2.7557;-2.1655,2.1339,4.014;-1.7915,2.3976,3.1491;-3.1217,2.1295,3.8816;-2.9882,.9348,.5082;-2.2591,1.4956,.8654;-2.7324,.7467,-.4209;.3585,3.6524,-.536;.2848,4.6015,-.695;.1196,3.2123,-1.3885;-.8895,2.3754,1.5617;-.4877,2.9177,.848;2.5926,.1397,-3.0716;-.253,1.6475,1.7201;-2.874,-.3817,1.2549; Gaussian 16 GINC-CABRERA LAMSABHI Optimization 15-agua-BF3/ CONF41 water EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.4731,-.8575,-1.7331;2.4458,-1.4962,-.9013;1.0015,-1.827,-2.6624;.37,-.4905,-.8886;1.9609,.3291,-2.3673;.4662,-.1376,.9299;-.5625,-2.9837,.8053;3.3738,.3988,1.2147;3.3274,-.3525,.6043;-2.7733,-1.2386,1.8223;-2.18,-.9778,2.6171;3.2438,1.1774,.6255;-2.2657,-1.953,1.2744;.7205,.1036,1.8363;1.6913,.2645,1.7691;-1.513,-3.0498,.5601;-1.5497,-2.959,-.419;2.8795,2.3624,-.6562;2.0737,2.8965,-.513;2.5969,1.6802,-1.2986;-1.6077,-2.8259,-2.1944;-1.6411,-3.7102,-2.5811;-.7237,-2.4888,-2.4178;-1.2203,-.4721,3.7213;-1.5689,.4245,3.928;-.4284,-.3022,3.1697;-2.0235,.3197,-2.0131;-1.2294,-.1291,-1.6739;-2.4885,-.3565,-2.5232;1.134,-2.7845,1.3811;1.6314,-2.5279,.5884;1.0249,-1.9431,1.8554;-.0912,2.2466,-2.837;-.8844,1.6957,-2.7053;.6468,1.6101,-2.7557;-2.1655,2.1339,4.014;-1.7915,2.3976,3.1491;-3.1217,2.1295,3.8816;-2.9882,.9348,.5082;-2.2591,1.4956,.8654;-2.7324,.7467,-.4209;.3585,3.6524,-.536;.2848,4.6015,-.695;.1196,3.2123,-1.3885;-.8895,2.3754,1.5617;-.4877,2.9177,.848;2.5926,.1397,-3.0716;-.253,1.6475,1.7201;-2.874,-.3817,1.2549; Optimization 15-agua-BF3/ CONF41 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF41/opt-b3lyp.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 1 1 1 1 4 5 5 5 6 7 7 8 8 8 10 10 10 11 12 13 14 14 14 16 17 18 18 19 21 21 24 24 25 27 27 27 30 30 33 33 33 36 36 37 39 39 39 40 42 42 42 45 45 2 3 4 5 28 20 35 47 14 16 30 9 12 15 11 13 49 24 18 16 15 26 48 17 21 19 20 42 22 23 25 26 36 28 29 41 31 32 34 35 44 37 38 45 40 41 49 45 43 44 46 46 48 1.4304 1.4234 1.4369 1.4312 1.818 1.8364 1.8758 0.9648 0.9719 0.9838 1.8026 0.9691 0.9851 1.7766 1.0256 1.0336 1.0327 1.5479 1.7832 1.5098 0.9863 1.8062 1.8289 0.984 1.7813 0.9772 0.9787 1.8745 0.9657 0.9722 0.984 0.9799 1.8126 0.9732 0.9663 1.7944 0.9704 0.972 0.9747 0.9779 1.7537 0.9786 0.9653 1.8259 0.9868 0.9819 1.5178 1.7704 0.9651 0.9887 1.7808 0.9823 0.9798 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 2 2 2 3 3 4 1 1 1 1 20 20 35 9 9 12 11 11 13 6 6 6 15 15 26 7 7 13 12 12 19 17 17 22 11 11 25 14 28 28 29 4 7 7 31 34 34 35 25 25 37 36 40 40 41 19 19 19 43 43 44 37 37 37 40 40 46 1 1 1 1 1 1 4 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 16 16 16 18 18 18 21 21 21 24 24 24 26 27 27 27 28 30 30 30 33 33 33 36 36 36 37 39 39 39 42 42 42 42 42 42 45 45 45 45 45 45 3 4 5 4 5 5 28 20 35 47 35 47 47 12 15 15 13 49 49 15 26 48 26 48 48 13 17 17 19 20 20 22 23 23 25 26 26 24 29 41 41 27 31 32 32 35 44 44 37 38 38 45 41 49 49 43 44 46 44 46 46 40 46 48 46 48 48 107.5079 107.1226 113.3361 107.6601 112.8482 108.078 118.186 118.0452 114.7825 112.5757 81.9889 110.0253 116.2087 103.2772 95.314 96.9722 107.6053 105.7299 109.2792 103.5592 117.7905 90.6266 135.4859 112.4496 84.1466 108.3622 106.1236 112.6533 115.2302 93.8732 103.8363 109.3796 103.0235 104.8883 103.1701 98.9777 104.2769 165.5909 104.7124 97.0564 116.4128 163.7522 104.5134 98.3905 103.1384 103.5998 107.3 101.4784 94.9529 108.3745 104.9835 162.5534 105.0034 105.0243 106.2435 117.9354 92.995 105.0035 106.0919 119.8332 111.8134 88.0414 145.7863 100.9184 107.7637 101.3627 105.1814 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 16 10 8 10 8 16 18 5 24 5 39 27 33 42 14 10 16 10 8 10 8 16 18 5 24 5 39 27 33 42 14 10 7 11 12 13 15 17 19 20 25 35 40 41 44 46 48 49 7 11 12 13 15 17 19 20 25 35 40 41 44 46 48 49 30 24 18 16 14 21 42 18 36 33 45 39 42 45 45 39 30 24 18 16 14 21 42 18 36 33 45 39 42 45 45 39 1 1 1 6 1 1 3 6 5 10 1 6 2 1 5 1 1 1 1 6 1 1 3 6 5 10 1 6 2 1 5 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 182.168 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 175.6148 169.2298 181.1015 164.9659 180.3242 167.4321 174.1671 170.7804 172.4275 177.5683 171.1811 170.9439 170.737 176.4579 181.0188 175.2272 175.926 181.1831 176.287 179.7075 178.9375 184.6528 180.1316 177.1489 177.5364 184.2695 180.5113 177.1146 178.9003 169.2169 184.0505 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 2 3 5 2 2 2 3 3 3 4 4 4 1 1 1 35 35 47 47 1 1 20 20 47 47 9 9 9 12 12 12 9 9 15 15 11 11 49 49 13 13 49 49 11 11 13 13 6 6 6 15 15 15 26 26 26 7 7 13 13 13 13 17 17 6 15 48 12 12 12 20 20 20 11 11 26 26 11 25 29 41 28 28 29 29 34 34 34 35 35 35 25 38 36 36 36 41 41 41 49 49 49 19 19 19 43 43 43 44 44 44 1 1 1 1 1 1 1 1 1 1 1 1 4 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 14 14 14 18 18 18 18 18 18 24 24 24 24 24 24 27 27 27 27 27 27 33 33 33 33 33 33 36 36 37 37 37 39 39 39 39 39 39 42 42 42 42 42 42 42 42 42 4 4 4 5 5 5 5 5 5 5 5 5 28 18 18 18 18 18 18 33 33 33 33 33 33 14 14 14 14 14 14 18 18 18 18 16 16 16 16 24 24 24 24 39 39 39 39 45 45 45 45 45 45 45 45 45 21 21 21 21 30 30 30 30 26 26 26 42 42 42 42 42 42 36 36 36 36 26 26 28 28 39 39 39 39 42 42 42 42 42 42 37 37 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 28 28 28 20 35 47 20 35 47 20 35 47 27 12 19 12 19 12 19 34 44 34 44 34 44 6 26 48 6 26 48 19 20 19 20 7 17 7 17 25 26 25 26 40 41 40 41 37 40 46 37 40 46 37 40 46 22 23 22 23 31 32 31 32 24 24 24 43 44 46 43 44 46 37 38 37 38 14 14 4 4 40 49 40 49 19 43 46 19 43 46 45 45 40 46 48 37 46 48 37 46 48 37 40 48 37 40 48 37 40 48 -161.5634 -46.1948 75.9852 -57.814 -151.9445 72.1031 179.6851 85.5546 -50.3978 60.7489 -33.3816 -169.334 -110.3978 25.4211 -90.7972 139.1651 22.9469 -105.7352 138.0466 -14.8266 94.6762 -131.7023 -22.1996 120.121 -130.3763 -37.3183 115.0496 -129.7769 66.0907 -141.5414 -26.3679 118.4688 13.024 22.4464 -82.9985 -20.6582 -138.3781 94.054 -23.6659 155.9911 49.6358 40.8396 -65.5157 16.3684 127.2501 -98.7158 12.1659 135.1768 46.2003 -63.8676 -120.9185 150.105 40.0371 16.8773 -72.0992 177.8329 96.6188 -14.4157 -144.6731 104.2923 -114.0339 -8.2566 6.9357 112.713 -34.682 169.2462 52.9336 136.523 -115.5554 -3.2796 -126.5123 -18.5907 93.6851 -71.6227 34.7926 29.3704 135.7857 31.3304 -74.8237 172.784 -67.4851 60.5454 -48.0779 169.5143 60.891 123.9013 -117.1594 18.8298 16.6682 135.6075 -88.4033 -4.6628 -115.1953 80.5195 -159.9675 -20.6769 -178.3874 32.1317 -77.6751 -67.6196 142.8995 33.0927 123.2745 -118.7782 -13.7075 -12.7277 105.2196 -149.7096 -138.7948 -20.8475 84.2232 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. -0.00002 0.00009 0.00020 0.00031 0.00060 0.00103 0.00121 0.00147 0.00178 0.00189 0.00211 0.00243 0.00260 0.00267 0.00302 0.00322 0.00350 0.00377 0.00403 0.00462 0.00494 0.00540 0.00553 0.00581 0.00592 0.00633 0.00663 0.00697 0.00729 0.00750 0.00799 0.00806 0.00850 0.00862 0.00918 0.00949 0.00962 0.00971 0.00990 0.01000 0.01023 0.01057 0.01091 0.01117 0.01158 0.01243 0.01255 0.01276 0.01311 0.01362 0.01387 0.01443 0.01475 0.01501 0.01529 0.01587 0.01626 0.01658 0.01752 0.01799 0.01802 0.01825 0.01881 0.01963 0.01990 0.02031 0.02182 0.02249 0.02374 0.02452 0.02479 0.02676 0.02798 0.02995 0.03042 0.03212 0.03391 0.03527 0.03760 0.04047 0.04210 0.04450 0.04715 0.04906 0.05163 0.05265 0.05465 0.05643 0.05810 0.05954 0.06000 0.06177 0.06430 0.06510 0.06791 0.07264 0.08155 0.08499 0.09169 0.13540 0.15794 0.17630 0.18069 0.20619 0.22898 0.27063 0.29630 0.31837 0.33568 0.33717 0.37245 0.38543 0.41244 0.41799 0.42592 0.43173 0.44266 0.44532 0.44835 0.45735 0.46021 0.46215 0.46479 0.46634 0.47425 0.47497 0.48158 0.48782 0.49000 0.49078 0.49632 0.50258 0.50866 0.52369 0.52561 0.52630 0.52688 0.52733 0.58986 1.12637 1.71841 Angle between NR and scaled steps= 0.39 degrees. Angle between quadratic step and forces= 85.65 degrees. 1 2 3 4 0.02918741 0.00370432 0.00005201 0.00000013 0.00246278 0.00029874 0.00029584 0.00029584 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 2.70302 2.68976 2.71532 2.70455 3.43551 3.47021 3.54483 1.82326 1.83665 1.85916 3.40650 1.83138 1.86150 3.35721 1.93803 1.95318 1.95152 2.92513 3.36977 2.85317 1.86384 3.41327 3.45608 1.85958 3.36611 1.84672 1.84956 3.54227 1.82491 1.83713 1.85945 1.85178 3.42524 1.83900 1.82604 3.39092 1.83373 1.83678 1.84192 1.84794 3.31405 1.84923 1.82424 3.45047 1.86472 1.85555 2.86831 3.34560 1.82386 1.86837 3.36528 1.85629 1.85157 1.87637 1.86964 1.97809 1.87902 1.96957 1.88632 2.06273 2.06028 2.00333 1.96482 1.43098 1.92030 2.02822 1.80253 1.66354 1.69248 1.87807 1.84534 1.90728 1.80745 2.05583 1.58173 2.36468 1.96262 1.46863 1.89128 1.85221 1.96617 2.01115 1.63840 1.81229 1.90903 1.79810 1.83065 1.80066 1.72749 1.81997 2.89011 1.82758 1.69395 2.03179 2.85801 1.82410 1.71724 1.80010 1.80816 1.87274 1.77113 1.65724 1.89149 1.83231 2.83709 1.83265 1.83302 1.85430 2.05836 1.62307 1.83266 1.85165 2.09148 1.95151 1.53661 2.54445 1.76136 1.88083 1.76911 1.83576 3.17943 3.06506 2.95362 3.16082 2.87920 3.14725 2.92224 3.03979 2.98068 3.00943 3.09915 2.98767 2.98353 2.97992 3.07977 3.15937 3.05829 3.07049 3.16224 3.07679 3.13649 3.12305 3.22280 3.14389 3.09183 3.09859 3.21611 3.15052 3.09123 3.12240 2.95339 3.21229 -2.81981 -0.80625 1.32619 -1.00904 -2.65193 1.25844 3.13610 1.49321 -0.87961 1.06027 -0.58262 -2.95544 -1.92680 0.44368 -1.58471 2.42889 0.40050 -1.84543 2.40937 -0.25877 1.65241 -2.29864 -0.38746 2.09651 -2.27550 -0.65133 2.00800 -2.26503 1.15350 -2.47036 -0.46021 2.06767 0.22731 0.39176 -1.44860 -0.36055 -2.41515 1.64155 -0.41305 2.72256 0.86631 0.71278 -1.14346 0.28568 2.22093 -1.72292 0.21234 2.35928 0.80635 -1.11470 -2.11043 2.61983 0.69878 0.29456 -1.25837 3.10377 1.68632 -0.25160 -2.52502 1.82024 -1.99027 -0.14411 0.12105 1.96721 -0.60531 2.95390 0.92387 2.38278 -2.01682 -0.05724 -2.20806 -0.32447 1.63511 -1.25005 0.60725 0.51261 2.36991 0.54682 -1.30592 3.01565 -1.17784 1.05672 -0.83912 2.95858 1.06275 2.16249 -2.04482 0.32864 0.29092 2.36680 -1.54293 -0.08138 -2.01054 1.40533 -2.79196 -0.36088 -3.11345 0.56080 -1.35569 -1.18018 2.49407 0.57758 2.15155 -2.07307 -0.23924 -0.22214 1.83643 -2.61293 -2.42243 -0.36386 1.46997 0.00000 0.00003 0.00006 0.00003 -0.00002 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00002 -0.00001 0.00000 0.00002 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00000 0.00001 0.00003 0.00000 -0.00001 0.00001 0.00002 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00002 0.00003 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00001 0.00000 -0.00001 0.00001 0.00002 0.00000 0.00002 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00003 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00002 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 -0.00000 -0.00002 0.00001 -0.00001 -0.00003 0.00001 0.00001 -0.00002 0.00001 0.00001 0.00002 -0.00005 0.00000 0.00001 0.00002 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00003 -0.00001 -0.00002 -0.00008 -0.00000 -0.00003 -0.00000 -0.00001 -0.00001 0.00000 -0.00002 0.00000 -0.00002 -0.00002 -0.00001 -0.00001 -0.00003 0.00000 0.00001 -0.00002 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00002 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 0.00000 0.00001 -0.00000 0.00002 -0.00002 0.00000 -0.00002 -0.00002 -0.00001 -0.00001 0.00001 0.00001 0.00002 0.00002 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00002 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00072 -0.00022 0.00158 -0.00053 -0.03776 0.00156 0.00485 0.00002 -0.00008 -0.00012 0.00435 0.00009 -0.00015 0.00787 -0.00006 -0.00015 0.00035 0.00029 0.00336 -0.00005 -0.00043 -0.00259 0.01430 -0.00038 0.00930 0.00033 -0.00010 -0.00539 0.00019 0.00029 -0.00005 0.00002 0.00007 0.00062 0.00083 0.00480 -0.00016 0.00017 -0.00046 -0.00011 0.00439 -0.00025 0.00002 0.00560 0.00039 0.00023 -0.00096 -0.00382 0.00004 -0.00016 -0.00019 0.00016 -0.00067 0.00095 -0.00069 0.00102 -0.00061 0.00122 -0.00208 0.00660 -0.00941 -0.01771 0.00149 0.00624 0.01459 0.00668 -0.00002 -0.00052 0.00458 0.00103 0.00115 -0.00451 -0.00306 -0.00084 -0.01389 0.00827 0.00077 -0.00212 0.00206 0.00263 -0.00510 -0.00080 -0.00113 -0.00034 -0.00240 -0.01437 -0.00073 0.00317 0.00386 -0.00035 0.00341 -0.01057 -0.01558 -0.00912 0.06320 0.00607 0.00325 0.00066 0.00033 -0.00593 -0.00368 0.00160 0.00481 0.00057 -0.00462 -0.00119 -0.00688 -0.00852 -0.00527 0.00447 -0.00041 -0.00033 -0.00547 0.01070 0.00924 0.00244 -0.00831 -0.00841 0.01308 -0.00013 0.01269 0.00309 0.00150 -0.00211 -0.01618 0.00234 0.00144 -0.00672 -0.00011 -0.00415 -0.00176 -0.01029 0.00256 0.00318 -0.00162 -0.00885 -0.00280 0.00151 0.00414 0.00767 0.00177 0.00291 0.00110 0.00244 0.00352 -0.00202 -0.00127 0.00400 -0.00160 0.00299 0.00236 -0.00450 0.02211 0.02257 0.02248 -0.02962 -0.02258 -0.01544 -0.03264 -0.02560 -0.01846 -0.03125 -0.02421 -0.01707 0.10180 0.01570 0.01775 -0.00223 -0.00018 0.00755 0.00960 -0.00109 -0.00910 0.00780 -0.00022 -0.01192 -0.01993 -0.00677 -0.00062 0.01474 -0.00720 -0.00105 0.01431 -0.02414 -0.02334 -0.02467 -0.02387 0.00937 0.00894 0.00875 0.00832 -0.01111 -0.01274 -0.00774 -0.00938 -0.00147 -0.01026 -0.00009 -0.00887 0.02391 0.01187 0.01650 0.01401 0.00196 0.00660 0.02256 0.01051 0.01515 0.02078 0.02853 0.02265 0.03040 -0.01767 -0.01393 -0.01868 -0.01494 -0.01419 -0.02896 -0.03101 0.00675 0.00821 0.02077 0.00544 0.00690 0.01946 0.01500 0.01700 0.01990 0.02190 0.01852 0.01404 -0.09456 -0.11326 -0.06533 -0.05240 -0.09229 -0.07935 -0.00675 -0.01068 -0.00905 -0.00450 -0.00842 -0.00680 -0.01449 -0.02018 0.01014 0.01115 -0.00490 0.01653 0.01220 0.00970 0.00377 -0.00055 -0.00306 -0.02625 -0.02151 -0.00868 -0.01304 -0.00831 0.00453 -0.01781 -0.01308 -0.00024 -0.00072 -0.00022 0.00188 -0.00034 -0.03749 0.00169 0.00478 0.00002 -0.00008 -0.00012 0.00435 0.00009 -0.00028 0.00749 -0.00026 -0.00015 0.00035 0.00009 0.00324 -0.00005 -0.00077 -0.00279 0.01439 -0.00038 0.00930 0.00036 -0.00000 -0.00536 0.00019 0.00029 -0.00012 -0.00023 -0.00001 0.00086 0.00083 0.00501 -0.00016 0.00017 -0.00046 -0.00017 0.00434 -0.00023 0.00002 0.00564 0.00040 0.00039 -0.00095 -0.00380 0.00004 -0.00020 -0.00011 0.00025 -0.00057 0.00090 -0.00030 0.00136 -0.00068 0.00108 -0.00253 0.00491 -0.00910 -0.01829 0.00177 0.00630 0.01424 0.00666 0.00000 -0.00065 0.00436 0.00102 0.00120 -0.00449 -0.00308 -0.00076 -0.01393 0.00810 0.00071 -0.00201 0.00208 0.00264 -0.00509 -0.00063 -0.00102 -0.00053 -0.00241 -0.01439 -0.00077 0.00330 0.00359 -0.00038 0.00334 -0.01115 -0.01335 -0.00972 0.06236 0.00607 0.00325 0.00064 0.00023 -0.00585 -0.00376 0.00153 0.00487 0.00050 -0.00450 -0.00132 -0.00699 -0.00813 -0.00525 0.00449 -0.00060 -0.00041 -0.00538 0.01073 0.00936 0.00238 -0.00842 -0.00849 0.01304 0.00001 0.01270 0.00291 0.00163 -0.00211 -0.01639 0.00234 0.00123 -0.00659 -0.00021 -0.00454 -0.00219 -0.00867 0.00278 0.00294 -0.00140 -0.00842 -0.00280 0.00151 0.00458 0.00767 0.00169 0.00290 0.00070 0.00246 0.00363 -0.00195 -0.00098 0.00342 -0.00178 0.00287 0.00225 -0.00486 0.02190 0.02246 0.02189 -0.02951 -0.02261 -0.01528 -0.03262 -0.02572 -0.01839 -0.03076 -0.02386 -0.01653 0.10184 0.01644 0.01827 -0.00201 -0.00017 0.00803 0.00986 -0.00084 -0.00885 0.00763 -0.00037 -0.01189 -0.01989 -0.00672 -0.00076 0.01486 -0.00716 -0.00120 0.01443 -0.02414 -0.02322 -0.02454 -0.02363 0.00938 0.00894 0.00875 0.00830 -0.01115 -0.01271 -0.00778 -0.00934 -0.00145 -0.01003 -0.00020 -0.00878 0.02388 0.01183 0.01652 0.01400 0.00195 0.00664 0.02237 0.01032 0.01501 0.02081 0.02852 0.02266 0.03037 -0.01768 -0.01392 -0.01870 -0.01494 -0.01412 -0.02889 -0.03093 0.00674 0.00812 0.02071 0.00542 0.00680 0.01939 0.01525 0.01719 0.01987 0.02180 0.01863 0.01410 -0.09504 -0.11332 -0.06627 -0.05380 -0.09186 -0.07939 -0.00674 -0.01065 -0.00898 -0.00443 -0.00834 -0.00667 -0.01439 -0.02011 0.01013 0.01115 -0.00482 0.01618 0.01188 0.00941 0.00372 -0.00058 -0.00305 -0.02620 -0.02136 -0.00863 -0.01304 -0.00820 0.00453 -0.01780 -0.01295 -0.00023 2.70230 2.68954 2.71720 2.70422 3.39802 3.47190 3.54961 1.82327 1.83657 1.85903 3.41085 1.83147 1.86122 3.36470 1.93777 1.95302 1.95187 2.92522 3.37301 2.85312 1.86307 3.41048 3.47047 1.85921 3.37541 1.84708 1.84956 3.53691 1.82510 1.83741 1.85933 1.85155 3.42523 1.83986 1.82687 3.39593 1.83358 1.83694 1.84146 1.84777 3.31840 1.84900 1.82425 3.45611 1.86511 1.85594 2.86736 3.34180 1.82391 1.86817 3.36517 1.85654 1.85100 1.87727 1.86934 1.97945 1.87835 1.97066 1.88378 2.06764 2.05118 1.98504 1.96658 1.43728 1.93454 2.03488 1.80253 1.66289 1.69685 1.87909 1.84653 1.90279 1.80437 2.05508 1.56781 2.37277 1.96333 1.46663 1.89336 1.85484 1.96108 2.01052 1.63737 1.81176 1.90662 1.78371 1.82987 1.80396 1.73107 1.81959 2.89344 1.81643 1.68060 2.02207 2.92037 1.83017 1.72048 1.80074 1.80839 1.86689 1.76737 1.65878 1.89636 1.83280 2.83259 1.83134 1.82603 1.84617 2.05311 1.62756 1.83206 1.85124 2.08610 1.96224 1.54597 2.54683 1.75294 1.87234 1.78216 1.83577 3.19213 3.06796 2.95524 3.15871 2.86281 3.14959 2.92347 3.03320 2.98047 3.00489 3.09696 2.97900 2.98632 2.98286 3.07837 3.15095 3.05549 3.07200 3.16682 3.08446 3.13818 3.12595 3.22350 3.14635 3.09546 3.09665 3.21513 3.15394 3.08945 3.12527 2.95565 3.20743 -2.79791 -0.78379 1.34809 -1.03856 -2.67454 1.24316 3.10347 1.46749 -0.89800 1.02951 -0.60647 -2.97196 -1.82496 0.46012 -1.56644 2.42688 0.40033 -1.83740 2.41923 -0.25962 1.64356 -2.29101 -0.38783 2.08461 -2.29539 -0.65805 2.00724 -2.25017 1.14634 -2.47156 -0.44578 2.04353 0.20409 0.36722 -1.47223 -0.35117 -2.40621 1.65030 -0.40474 2.71141 0.85360 0.70501 -1.15280 0.28424 2.21090 -1.72311 0.20355 2.38316 0.81817 -1.09818 -2.09643 2.62178 0.70542 0.31693 -1.24805 3.11878 1.70713 -0.22308 -2.50236 1.85062 -2.00795 -0.15802 0.10235 1.95228 -0.61944 2.92501 0.89293 2.38951 -2.00870 -0.03653 -2.20264 -0.31767 1.65450 -1.23480 0.62443 0.53248 2.39171 0.56545 -1.29182 2.92061 -1.29116 0.99045 -0.89292 2.86672 0.98335 2.15575 -2.05546 0.31966 0.28648 2.35846 -1.54960 -0.09577 -2.03065 1.41546 -2.78081 -0.36570 -3.09727 0.57268 -1.34628 -1.17646 2.49349 0.57453 2.12535 -2.09443 -0.24788 -0.23518 1.82823 -2.60840 -2.44022 -0.37681 1.46974 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000076 0.000013 0.190993 0.032606 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -3.922823e-06 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 91 91 2150.3575871184 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0609015964 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 1.430375 0.000000 1.423359 2.301498 0.000000 1.436883 2.306692 2.309002 0.000000 1.431189 2.390840 2.378281 2.321468 0.000000 2.936539 3.019572 4.005625 1.854916 3.650130 0.000000 3.886808 3.764933 3.976022 3.155185 5.235212 3.028870 0.000000 3.725671 2.988285 5.061046 3.773337 3.851270 2.970396 5.206117 0.000000 3.026019 2.086181 4.272618 3.315779 3.340988 2.887715 4.700575 0.969125 0.000000 5.551408 5.892690 5.891409 4.217770 6.513380 3.535984 2.994596 6.390443 6.283963 0.000000 5.681801 5.834827 6.222221 4.362313 6.610525 3.248787 3.150027 5.891165 5.896911 1.025562 0.000000 3.583232 3.180645 4.986496 3.651516 3.364928 3.088239 5.642301 0.985065 1.532335 6.593613 6.166718 0.000000 4.921754 5.209676 5.117549 3.710104 6.027833 3.298147 2.045330 6.110570 5.856124 1.033577 1.661706 6.369921 0.000000 3.772370 3.609801 4.903578 2.810945 4.388642 0.971913 3.498727 2.741058 2.919224 3.742858 3.192465 2.997669 3.669253 0.000000 3.683940 3.286361 4.948548 3.062563 4.145662 1.538472 4.069343 1.776557 2.101015 4.711181 4.153194 2.133393 4.562921 0.986303 0.000000 4.356745 4.496805 4.266451 3.492075 5.661674 3.540408 0.983825 6.016814 5.541398 2.542013 2.994832 6.364023 1.509831 4.069564 4.765869 0.000000 3.908902 4.282024 3.580843 3.162118 5.189508 3.720631 1.572891 6.179340 5.623774 3.079082 3.679734 6.417024 2.095812 4.429446 5.067772 0.984049 0.000000 3.675005 3.890680 5.010282 3.806642 2.811791 3.819660 6.524136 2.756939 3.026572 7.145979 6.889794 1.783207 6.987388 3.996998 3.419790 7.075668 6.927516 0.000000 3.992752 4.425522 5.299171 3.809882 3.169076 3.724460 6.577545 3.303590 3.657283 6.785761 6.549866 2.370748 6.748572 3.892340 3.504446 7.026652 6.886490 0.977243 0.000000 2.809247 3.204747 4.087275 3.136750 1.836356 3.579203 6.013357 2.926168 2.878591 6.862930 6.724310 2.091305 6.592908 3.979251 3.497855 6.535983 6.284078 0.978745 1.539618 0.000000 3.684887 4.457677 2.832805 3.327214 4.766404 4.613965 3.180437 6.843689 6.189157 4.473506 5.185877 6.893159 3.636958 5.499957 6.011890 2.765214 1.781270 7.029876 7.008953 6.227851 0.000000 4.307507 4.942250 3.245950 4.156340 5.416218 5.434184 3.627446 7.512719 6.790190 5.175000 5.897228 7.617952 4.282816 6.295707 6.769530 3.212433 2.290653 7.811322 7.856493 6.975776 0.965699 0.000000 2.820543 3.651088 1.863854 2.743663 3.892256 4.260359 3.264844 6.190538 5.487083 4.872695 5.454756 6.200314 4.037039 5.186929 5.562606 3.131452 2.213257 6.294430 6.360403 5.446030 0.972166 1.536266 0.000000 6.095310 5.988086 6.893765 4.876569 6.916160 3.278441 3.904401 5.305362 5.514674 2.570161 1.547914 5.677385 3.045249 2.766091 3.582047 4.089405 4.841032 6.633630 6.334554 6.663566 6.378560 7.098059 6.480953 0.000000 6.553250 6.567287 7.423620 5.272251 7.218037 3.666948 4.730816 5.638541 5.968676 2.941173 2.014527 5.885200 3.630413 3.117635 3.913531 4.839053 5.508645 6.675233 6.253116 6.800644 6.931839 7.711619 7.033594 0.983980 0.000000 5.287775 5.124370 6.195371 4.140366 6.063449 2.417442 3.577564 4.332420 4.548608 2.861976 1.956958 4.706051 3.113360 1.806226 2.603060 3.941468 4.603734 5.716593 5.482123 5.748738 6.044231 6.793810 6.007353 0.979921 1.550494 0.000000 3.700013 4.950555 3.765716 2.765716 4.000105 3.881788 4.581489 6.289323 5.994519 4.207278 4.811079 5.953324 4.003960 4.732255 5.301608 4.270274 3.676287 5.482010 5.067233 4.869240 3.178131 4.087617 3.121044 5.844260 5.959367 5.458179 0.000000 2.799542 3.996616 2.972725 1.817992 3.296786 3.107161 3.839236 5.460056 5.099447 3.979754 4.476196 5.196518 3.618458 4.022193 4.532016 3.688021 3.112123 4.911820 4.627338 4.249134 2.772496 3.717053 2.525334 5.406100 5.639409 4.912372 0.973156 0.000000 4.070550 5.317596 3.789723 3.295528 4.504603 4.549907 4.657306 6.993517 6.603481 4.443338 5.186913 6.717644 4.125610 5.432800 6.023279 4.208595 3.475890 6.300243 5.952856 5.613313 2.642321 3.459549 2.769909 6.373071 6.563072 6.054400 0.966300 1.535712 0.000000 3.677807 2.930829 4.157462 3.316356 4.942554 2.766859 1.802641 3.895834 3.365886 4.225118 3.971646 4.551798 3.501550 2.952842 3.123666 2.784093 3.236231 5.804131 6.061670 5.408738 4.505895 4.925178 4.239167 4.045497 4.908154 3.435337 5.579091 4.687197 5.853342 0.000000 2.864334 1.986657 3.384627 2.814973 4.123986 2.681009 2.251191 3.463233 2.758514 4.752502 4.587437 4.041157 3.998552 3.051554 3.032348 3.187513 3.364473 5.198292 5.552725 4.711828 4.280686 4.706634 3.819046 4.708850 5.487410 3.982369 5.313609 4.365340 5.600938 0.970369 0.000000 3.775775 3.133371 4.519372 3.173173 4.885736 2.104429 2.169240 3.378211 3.065465 3.863153 3.432638 4.021681 3.341537 2.069323 2.307611 3.056711 3.582387 5.318390 5.489150 5.054454 4.910277 5.469242 4.649286 3.268966 4.077886 2.555743 5.420153 4.563812 5.833840 0.971980 1.521557 0.000000 3.647061 4.918520 4.221210 3.391187 2.847530 4.492708 6.390965 5.642437 5.503109 6.407074 6.671368 4.924871 6.266546 5.204950 5.321824 6.450855 5.922118 3.686994 3.241957 3.148547 5.333176 6.160388 4.795758 7.188746 7.160273 6.533782 2.850535 2.879638 3.552693 6.678727 6.123432 6.388900 0.000000 3.608649 4.953146 3.996067 3.106966 3.174589 4.289499 5.858768 5.931397 5.734821 5.716490 6.095428 5.329680 5.573143 5.073203 5.357502 5.794657 5.228369 4.337063 3.872814 3.754857 4.607531 5.460009 4.197465 6.790726 6.788632 6.222140 1.915746 2.124360 2.611098 6.391051 5.917526 6.138975 0.974704 0.000000 2.796033 4.040366 3.456671 2.823971 1.875845 4.082918 5.936835 4.966672 4.725095 6.385213 6.599572 4.285323 6.117235 4.833363 4.834734 6.113413 5.582188 3.155674 2.953026 2.435333 5.007607 5.793999 4.335130 7.054982 7.140480 6.318413 3.057286 2.777640 3.708333 6.054993 5.410683 5.833557 0.977889 1.534457 0.000000 7.430840 7.655238 8.384162 6.111662 7.810689 4.647352 6.249502 6.444459 6.926837 4.067809 3.410924 6.454278 4.921267 4.146539 4.838362 6.263059 6.780042 6.878624 6.248701 7.149220 7.965896 8.827456 8.050920 2.787568 1.812558 3.108903 6.295850 6.192745 7.003019 6.481482 6.919830 5.608967 7.159124 6.854416 7.349312 0.000000 6.714789 7.037166 7.708534 5.414411 6.984979 4.055755 5.996867 5.866606 6.343651 3.993289 3.439054 5.762907 4.761016 3.646327 4.310940 6.037705 6.440697 6.024881 5.347802 6.289268 7.474700 8.376273 7.483802 2.981415 2.132894 3.024442 5.569494 5.473668 6.343955 6.207878 6.521767 5.333579 6.224751 5.965676 6.436707 0.978569 0.000000 7.845935 8.186512 8.687861 6.466149 8.253694 5.169669 6.492968 7.231833 7.648030 3.963110 3.484429 7.213055 4.919079 4.801055 5.577291 6.359637 6.845386 7.527280 6.847806 7.729122 7.985338 8.835157 8.170792 3.226408 2.306596 3.697855 6.263258 6.288504 6.899458 6.964963 7.424857 6.155161 7.371409 6.969982 7.650116 0.965344 1.542060 0.000000 5.304621 6.117613 5.796442 3.906408 5.755824 3.641516 4.618168 6.423528 6.446197 2.548942 2.959528 6.237829 3.073917 4.026107 4.892523 4.249241 4.253354 6.150071 5.523914 5.917266 4.832505 5.738872 5.040956 3.927988 3.737603 3.894368 2.768772 2.997835 3.332710 5.620315 5.773872 5.118837 4.615659 3.915570 4.931759 3.795432 3.247438 3.581127 0.000000 5.120356 5.848748 5.840946 3.732674 5.442371 3.177798 4.790241 5.749272 5.890006 2.942173 3.031908 5.517256 3.472844 3.429031 4.235262 4.616307 4.690024 5.428712 4.757617 5.319552 5.334981 6.273774 5.386322 3.620396 3.317089 3.448627 3.118317 3.185570 3.868554 5.486161 5.603647 4.856873 4.355655 3.831401 4.644258 3.214052 2.499472 3.200515 0.986765 0.000000 4.688403 5.663477 5.058691 3.372512 5.098027 3.582918 4.486421 6.331026 6.243418 2.995911 3.536750 6.082375 3.221893 4.175085 4.959575 4.106398 3.889835 5.844536 5.265767 5.481180 4.144102 5.071576 4.300118 4.574942 4.513374 4.393260 1.794397 2.143812 2.386675 5.537649 5.548345 5.151104 3.881145 3.087727 4.197070 4.681296 4.044200 4.535978 0.981913 1.561895 0.000000 4.797409 5.567670 5.912677 4.157902 4.119016 4.065069 6.832716 4.768964 5.114062 6.268417 6.150198 3.974848 6.448713 4.284040 4.309002 7.044417 6.882271 2.834358 1.874489 3.079253 6.970320 7.898671 6.513617 6.134250 5.836247 5.476328 4.354656 4.256348 5.303433 6.760955 6.409456 6.121511 2.733796 3.174864 3.030038 5.420291 4.447124 5.826340 4.435816 3.669818 4.243865 0.000000 5.682514 6.472643 6.760971 5.096388 4.884658 5.013250 7.778503 5.554450 5.957142 7.056718 6.940770 4.714204 7.303886 5.179652 5.182626 7.959283 7.784780 3.427410 2.477966 3.774174 7.810035 8.737898 7.365991 6.892835 6.500486 6.284191 5.039817 5.062617 5.967903 7.719108 7.368134 7.062911 3.205550 3.721856 3.650451 5.853952 4.893427 6.217773 5.060169 4.307326 4.902911 0.965147 0.000000 4.302880 5.274422 5.272207 3.744770 3.558391 4.088640 6.608249 5.028208 5.193193 6.203979 6.236143 4.237679 6.281864 4.519363 4.596742 6.758429 6.466156 2.979195 2.164464 2.914278 6.331931 7.241782 5.854360 6.440501 6.236003 5.781754 3.653782 3.614753 4.563580 6.682936 6.256533 6.158007 1.753722 2.245491 2.171255 5.964194 4.990502 6.281043 4.294484 3.699294 3.892179 0.988699 1.561418 0.000000 5.185419 5.672698 6.251298 3.975319 5.267745 2.924388 5.422072 4.712005 5.112730 4.083837 3.744703 4.404038 4.550999 2.797928 3.340542 5.551920 5.728348 4.373127 3.654608 4.562866 6.455752 7.400052 6.286788 3.589082 3.141171 3.157144 4.276724 4.105678 5.167791 5.545356 5.598578 4.732893 4.472420 4.320769 4.645972 2.775013 1.825908 3.228806 2.754877 1.770418 3.159005 2.754755 3.380474 3.228306 0.000000 4.975879 5.581096 6.087179 3.920135 4.799523 3.201840 5.902105 4.625017 5.030779 4.842419 4.600936 4.123372 5.202682 3.218048 3.554711 6.061800 6.104833 3.729452 2.900586 3.956584 6.595463 7.551047 6.320763 4.503725 4.107499 3.970081 4.158650 4.024107 5.107757 5.952260 5.849191 5.189471 3.766620 3.778486 3.997931 3.667862 2.695420 4.094119 3.209352 2.271667 3.370796 1.780828 2.411005 2.336103 0.982306 0.000000 2.009829 2.721734 2.562606 3.178431 0.964825 4.539828 5.894076 4.364587 3.780711 7.392134 7.509130 3.894793 6.846211 5.252953 4.925394 6.341758 5.813426 3.294958 3.796807 2.348726 5.216012 5.743360 4.281807 7.813804 8.148226 6.947990 4.739325 4.078435 5.134656 5.523102 4.629831 5.574118 3.420054 3.826944 2.459330 8.764865 7.938195 9.217338 6.677795 6.393516 5.979143 4.874416 5.557171 4.288399 6.212110 5.706947 0.000000 4.602023 4.902850 5.731691 3.429927 4.831808 2.080454 4.730873 3.868867 4.250181 3.833100 3.377900 3.694094 4.148968 1.828879 2.386473 4.999772 5.241844 3.996235 3.458274 4.151565 6.096700 7.009394 5.869648 3.071389 2.846483 2.435871 4.339840 3.953320 5.198001 4.656293 4.718643 3.813631 4.599164 4.470477 4.565425 3.026021 2.229731 3.624113 3.075393 2.185848 3.397472 3.079515 3.853327 3.500059 0.979810 1.558540 5.773277 0.000000 5.296357 5.847344 5.696849 3.889718 6.082930 3.364784 3.509390 6.296465 6.235496 1.032699 1.640882 6.344612 1.685106 3.673415 4.639344 3.074695 3.346416 6.654662 6.192828 6.379872 4.413115 5.226278 4.749006 2.970849 3.081938 3.106971 3.448946 3.368449 3.797862 4.674750 5.034751 4.242619 5.603213 4.894646 5.696317 3.800352 3.533238 3.642332 1.517842 2.013473 2.025285 5.470890 6.213923 5.372683 3.410772 4.092196 6.991006 3.347185 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4216,.4734,.3244;-2.4212,.6893,1.7383;-3.0205,1.613,-.2827;-1.0486,.4261,-.0967;-3.0469,-.7548,-.0614;.3925,-.0784,.9565;.4985,2.9483,.9988;-1.0158,-1.5635,3.1092;-1.5802,-.7941,2.9402;2.8543,1.9562,-.5611;3.1748,1.4536,.2735;-1.2991,-2.2077,2.4199;2.019,2.5035,-.2949;.9986,-.4594,1.6138;.3966,-.9256,2.2407;.8532,3.3427,.1702;.1078,3.3452,-.4722;-1.939,-3.1034,1.017;-1.2758,-3.3514,.3434;-2.3802,-2.3186,.6332;-1.2532,3.3766,-1.621;-1.6657,4.2496,-1.6053;-1.9038,2.7853,-1.2061;3.5606,.576,1.4888;4.0563,-.1688,1.0791;2.6793,.1978,1.6902;-.4221,.5398,-2.7882;-.6822,.6741,-1.8601;-.6498,1.3688,-3.2293;-.013,2.1571,2.5357;-.9008,1.8131,2.3483;.5471,1.3646,2.4804;-1.9443,-1.8464,-2.4491;-1.4501,-1.0768,-2.7862;-2.4031,-1.497,-1.6593;4.716,-1.5873,.1636;3.8442,-1.8916,-.1603;5.1724,-1.2577,-.6206;2.2397,.0836,-2.1776;2.1739,-.712,-1.5976;1.3228,.2483,-2.4881;-.1789,-3.4956,-1.1697;-.1288,-4.3521,-1.6119;-.779,-2.9368,-1.722;2.0463,-2.0451,-.4396;1.3179,-2.6326,-.7381;-4.006,-.7303,.041;1.6957,-1.5823,.3496;2.5821,1.2269,-1.2398; 0.2370790 0.1978303 0.1708752 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 598 RedAO= T EigKep= 9.74D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 616 616 616 616 616 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.94425837273 -1471.94425837 1 1.467081626132e+03 -7.782090983116e+03 2.692753726807e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 49. Will process 50 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 15282 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 15099494400 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 800000000 NMat= 147 IRICut= 367 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 4.61D-14 1.00D-09 XBig12= 6.99D+01 8.63D-01. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 4.61D-14 1.00D-09 XBig12= 2.81D+00 1.26D-01. 147 vectors produced by pass 2 Test12= 4.61D-14 1.00D-09 XBig12= 3.07D-02 1.46D-02. 147 vectors produced by pass 3 Test12= 4.61D-14 1.00D-09 XBig12= 8.45D-05 5.74D-04. 147 vectors produced by pass 4 Test12= 4.61D-14 1.00D-09 XBig12= 1.42D-07 1.99D-05. 88 vectors produced by pass 5 Test12= 4.61D-14 1.00D-09 XBig12= 1.98D-10 6.76D-07. 7 vectors produced by pass 6 Test12= 4.61D-14 1.00D-09 XBig12= 1.60D-13 2.19D-08. 3 vectors produced by pass 7 Test12= 4.61D-14 1.00D-09 XBig12= 1.99D-16 1.41D-09. InvSVY: IOpt=1 It= 1 EMax= 6.02D-15 Solved reduced A of dimension 833 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 185.78 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 187.225 -2.289 186.249 -0.272 0.302 183.858 175.240 -2.903 174.164 -0.989 -0.393 171.526 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT30969.100S Fri Jul 19 04:55:42 2024 -24.65995 -24.65161 -24.65102 -19.16612 -19.13766 -19.13305 -19.12992 -19.12949 -19.12856 -19.12681 -19.12525 -19.12476 -19.12379 -19.12361 -19.12072 -19.12033 -19.11960 -19.11432 -6.86364 -1.20865 -1.16718 -1.16115 -1.07090 -1.03095 -1.02959 -1.02557 -1.02261 -1.02029 -1.01714 -1.01643 -1.01310 -1.00942 -1.00584 -1.00319 -1.00141 -0.99665 -0.99419 -0.58831 -0.56934 -0.56121 -0.54987 -0.54742 -0.54523 -0.54136 -0.53904 -0.53693 -0.53589 -0.53340 -0.53225 -0.52969 -0.52861 -0.52408 -0.52075 -0.51940 -0.50611 -0.50090 -0.44835 -0.44524 -0.43745 -0.43424 -0.42649 -0.42576 -0.42395 -0.41300 -0.41204 -0.40992 -0.40510 -0.40477 -0.40235 -0.39808 -0.39361 -0.39242 -0.38940 -0.38313 -0.37859 -0.37505 -0.35950 -0.33653 -0.33248 -0.33114 -0.33075 -0.32843 -0.32733 -0.32696 -0.32600 -0.32374 -0.32338 -0.32136 -0.32040 -0.32004 -0.31396 -0.00940 0.01735 0.01790 0.02172 0.04038 0.05452 0.06429 0.06700 0.07074 0.07584 0.09336 0.09908 0.10149 0.10492 0.10940 0.11076 0.11504 0.12812 0.13008 0.13409 0.13812 0.14239 0.14639 0.15076 0.15263 0.15479 0.15618 0.15908 0.16185 0.17161 0.17490 0.17847 0.18090 0.18472 0.18723 0.19163 0.19448 0.19756 0.20118 0.20436 0.20770 0.21312 0.21396 0.21718 0.21821 0.22501 0.22617 0.22743 0.23340 0.23666 0.24131 0.24276 0.24684 0.24892 0.25341 0.25686 0.25749 0.26121 0.26523 0.26632 0.26800 0.27471 0.27568 0.27900 0.28152 0.28424 0.28606 0.28872 0.29228 0.29418 0.29524 0.30354 0.30534 0.30654 0.30866 0.31355 0.31807 0.32222 0.32348 0.32879 0.33821 0.34056 0.34413 0.36305 0.37082 0.37977 0.38422 0.38645 0.39948 0.40158 0.41579 0.42364 0.43285 0.43990 0.45082 0.45500 0.46362 0.47357 0.47567 0.48830 0.50083 0.50571 0.50965 0.51433 0.51519 0.52642 0.53092 0.53555 0.53783 0.54013 0.54972 0.55580 0.55671 0.56449 0.56923 0.58297 0.58629 0.58826 0.59613 0.59954 0.60393 0.60758 0.61431 0.62359 0.63236 0.63739 0.64270 0.64669 0.65134 0.65450 0.66025 0.67278 0.67475 0.67597 0.68224 0.69389 0.70297 0.70712 0.71612 0.71932 0.72919 0.74440 0.76379 0.81934 0.94380 0.94999 0.95847 0.96186 0.96868 0.97673 0.98010 0.99059 0.99370 0.99561 1.00681 1.01103 1.01287 1.02091 1.02892 1.03622 1.04152 1.04971 1.05274 1.05453 1.06227 1.06722 1.07276 1.08003 1.08844 1.09004 1.09168 1.09640 1.10004 1.11002 1.11420 1.11982 1.12214 1.12522 1.13308 1.13600 1.14296 1.14930 1.15225 1.15858 1.16403 1.17702 1.18349 1.19436 1.19988 1.20381 1.22035 1.23607 1.25280 1.26638 1.26985 1.27385 1.28302 1.28889 1.29651 1.29898 1.31314 1.31942 1.32574 1.32806 1.33398 1.33645 1.34866 1.35290 1.35866 1.36796 1.37826 1.37948 1.38755 1.39324 1.39655 1.40450 1.40704 1.41149 1.41965 1.42849 1.43128 1.43593 1.45267 1.45521 1.46289 1.47145 1.47462 1.48534 1.49278 1.49579 1.50799 1.51514 1.51833 1.52842 1.53155 1.54150 1.54769 1.55495 1.55977 1.56826 1.57044 1.58610 1.58696 1.59836 1.60287 1.60583 1.62374 1.62897 1.63686 1.64059 1.65123 1.66595 1.67564 1.68084 1.69103 1.69508 1.70101 1.71139 1.73252 1.74139 1.75118 1.75392 1.76225 1.76714 1.77477 1.78479 1.78778 1.80747 1.81468 1.83107 1.83858 1.83940 1.84883 1.85976 1.87237 1.89005 1.89558 2.01163 2.01946 2.03112 2.04503 2.05649 2.07002 2.10286 2.11940 2.13666 2.16789 2.20689 2.21364 2.22555 2.24001 2.24553 2.25966 2.26714 2.27655 2.28747 2.28936 2.31584 2.32450 2.33170 2.34436 2.35166 2.37151 2.38110 2.39082 2.40407 2.42319 2.43305 2.44504 2.46721 2.48366 2.50245 2.52007 2.53284 2.58016 2.58831 2.61085 2.61990 2.65820 2.68514 2.69295 2.70076 2.70632 2.71380 2.72252 2.72793 2.73655 2.74902 2.74922 2.76842 2.76998 2.78208 2.78535 2.79915 2.81463 2.81718 2.82497 2.84024 2.86029 2.88273 2.88534 2.89578 2.93850 2.95997 3.07424 3.08097 3.08349 3.09259 3.09351 3.09636 3.10175 3.10622 3.11397 3.12064 3.12197 3.13065 3.13144 3.13749 3.13985 3.14287 3.14569 3.15109 3.15825 3.16169 3.16473 3.17004 3.17246 3.18264 3.18512 3.19924 3.21158 3.23262 3.23654 3.29481 3.29869 3.30945 3.31137 3.31423 3.32163 3.32927 3.34228 3.34931 3.35261 3.36053 3.36845 3.37206 3.38008 3.43048 3.53361 3.53825 3.68593 3.69489 3.70220 3.70971 3.71646 3.72109 3.72448 3.72888 3.74753 3.75496 3.75687 3.77851 3.78645 3.80634 3.81823 3.82946 3.85136 3.85364 3.85991 3.88114 3.88872 3.89998 3.90605 3.91565 3.92055 3.92243 3.93126 3.93651 3.94541 3.94694 3.95095 3.95393 3.95617 3.95910 3.97627 3.98093 4.00697 4.01683 4.09552 4.20736 4.22552 4.35613 4.65286 4.68374 4.98840 5.00172 5.02374 5.02773 5.02986 5.03843 5.04949 5.05860 5.06381 5.07627 5.08881 5.10607 5.13674 5.16908 5.19797 5.33480 5.37310 5.37414 5.40664 5.41828 5.42829 5.43047 5.44314 5.45015 5.47920 5.49634 5.51353 5.52709 5.57290 5.59652 5.64242 5.64475 5.65497 5.65592 5.67356 5.68882 5.70363 5.71914 5.73095 5.73662 5.75177 5.76386 5.78169 5.78739 5.79978 6.36286 6.40029 6.42133 6.47050 6.54417 6.56198 6.62137 6.68412 6.76766 14.57235 49.87697 49.89705 49.90030 49.91095 49.92112 49.92348 49.92802 49.93165 49.94587 49.94793 49.95204 49.96637 49.97431 49.97512 49.99745 66.84565 66.86411 66.88052 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 0.925758 -0.437615 -0.394374 -0.419706 -0.800570 0.314314 0.421270 -0.700832 0.305982 -0.678747 0.467036 0.380249 0.526275 -0.787819 0.476824 -0.842302 0.434115 -0.733750 0.369598 0.363755 -0.691224 0.336321 0.330139 -0.743359 0.407022 0.348723 -0.655762 0.304359 0.338196 -0.660567 0.317822 0.332434 -0.698192 0.345451 0.362472 -0.682052 0.369079 0.305283 -0.812577 0.410996 0.430358 -0.755533 0.346796 0.400985 -0.833893 0.465708 0.333079 0.370401 0.488074 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 8 10 14 16 18 21 24 27 30 33 36 39 42 45 B F F F O O O O O O O O O O O O O O O 0.925758 -0.437615 -0.394374 -0.419706 -0.467491 -0.014601 0.802637 0.003320 0.013082 -0.000397 -0.024763 0.012386 -0.013207 -0.010312 0.009730 -0.007689 0.028777 -0.007752 0.002215 0.00000 -9.79889216e-01 5.59784600e-01 -3.03263296e+00 1.87225068e+02 -2.28884758e+00 1.86248685e+02 -2.72453805e-01 3.01792525e-01 1.83857799e+02 -13.7333 -8.6596 -0.0008 -0.0006 0.0008 3.5521 14.2138 16.8369 33.6982 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -5.8935 14.8731 33.2397 40.2773 46.8598 51.4208 55.7690 60.4371 61.3782 63.3434 66.9972 73.5601 78.5860 83.4259 84.0940 89.0957 105.5657 109.3058 119.3924 132.9245 136.0416 146.4615 156.4195 161.5400 165.7719 167.7656 174.3560 179.1553 185.4172 185.6809 192.6641 199.5013 209.7243 217.9033 226.9209 236.9213 240.2802 254.8856 258.0082 265.8738 270.5318 288.7925 290.4788 299.3655 305.0041 318.1624 319.8771 328.0194 338.5388 343.6499 349.9924 360.7419 380.1878 388.4675 422.5243 448.5126 455.7847 468.5043 490.3633 495.4881 502.3681 509.6033 517.4411 527.7575 543.7693 550.3801 575.5810 603.7552 606.2336 617.0072 627.9407 659.2973 674.4091 678.4116 690.4111 695.6058 697.5034 717.8600 735.5193 737.7279 743.2333 756.0486 783.6361 799.3165 805.8897 846.9560 857.2692 869.6812 873.8178 931.4806 953.3503 1005.0191 1036.2816 1056.1176 1125.4492 1330.4274 1595.4408 1599.2329 1603.5293 1613.7559 1637.6007 1645.3455 1646.2435 1650.7114 1654.2221 1659.7074 1661.4796 1664.5788 1666.8872 1734.7394 1768.2389 2406.5046 2490.6734 2722.4665 3305.9563 3342.6364 3354.6910 3404.4471 3405.6639 3421.4153 3425.7706 3449.2238 3461.1085 3497.0229 3521.7265 3533.7353 3550.8006 3557.1267 3567.3747 3618.7110 3669.4672 3678.3867 3682.0139 3703.4336 3742.2740 3760.8315 3821.0375 3827.3112 3828.8149 3830.8105 3831.6118 5.2780 5.2973 6.6974 7.4681 6.3773 6.6448 8.0714 6.3486 6.7944 6.7446 7.0444 7.4301 7.2044 6.6869 6.8082 6.5327 8.5292 6.4023 6.7891 5.5909 6.1279 6.2376 6.0914 5.6280 4.3539 4.5233 6.1122 6.2880 6.3525 6.1535 6.4464 4.4712 6.4762 4.7329 5.4893 4.8730 5.3092 1.3263 1.3787 2.0489 1.1733 2.1279 1.6227 2.6443 1.5336 2.1734 2.5335 2.6774 1.4046 1.5739 2.9372 1.2009 1.3106 2.3215 1.0870 1.0893 1.0812 1.5461 1.3165 3.3407 2.4921 2.8037 1.0460 1.0918 1.2275 1.0688 1.0645 1.0326 1.0529 1.0536 1.0545 1.0355 1.0547 1.0716 1.0309 1.0402 1.0639 1.0461 1.6518 1.0675 2.1713 1.0590 1.0566 1.0469 1.0367 1.0457 1.0481 2.7524 1.1311 10.3545 1.0502 1.0440 1.0316 10.1389 1.5423 1.0952 1.0794 1.0765 1.0739 1.0789 1.0786 1.0755 1.0724 1.0779 1.0671 1.0710 1.0673 1.0698 1.0679 1.0335 1.0399 1.1302 1.1169 1.0335 1.0661 1.0648 1.0652 1.0494 1.0626 1.0641 1.0890 1.0573 1.0710 1.0751 1.0563 1.0731 1.0594 1.0564 1.0773 1.0728 1.0588 1.0521 1.0553 1.0629 1.0770 1.0660 1.0710 1.0660 1.0681 1.0724 1.0667 0.0001 0.0007 0.0044 0.0071 0.0083 0.0104 0.0148 0.0137 0.0151 0.0159 0.0186 0.0237 0.0262 0.0274 0.0284 0.0306 0.0560 0.0451 0.0570 0.0582 0.0668 0.0788 0.0878 0.0865 0.0705 0.0750 0.1095 0.1189 0.1287 0.1250 0.1410 0.1049 0.1678 0.1324 0.1665 0.1612 0.1806 0.0508 0.0541 0.0853 0.0506 0.1046 0.0807 0.1396 0.0841 0.1296 0.1527 0.1697 0.0948 0.1095 0.2120 0.0921 0.1116 0.2064 0.1143 0.1291 0.1323 0.1999 0.1865 0.4832 0.3706 0.4290 0.1650 0.1792 0.2139 0.1908 0.2078 0.2218 0.2280 0.2363 0.2450 0.2652 0.2826 0.2906 0.2895 0.2965 0.3050 0.3176 0.5265 0.3423 0.7067 0.3567 0.3823 0.3941 0.3967 0.4419 0.4538 1.2265 0.5089 5.2933 0.5624 0.6213 0.6527 6.6629 1.1510 1.1422 1.6188 1.6222 1.6269 1.6555 1.7042 1.7155 1.7123 1.7305 1.7205 1.7382 1.7359 1.7464 1.7482 1.8324 1.9156 3.8564 4.0821 4.5130 6.8651 7.0099 7.0627 7.1663 7.2615 7.3394 7.5299 7.4116 7.5594 7.7465 7.7185 7.8952 7.8696 7.8752 8.0778 8.2770 8.4000 8.3875 8.4295 8.5895 8.8868 8.8836 9.2133 9.2001 9.2254 9.2724 9.2269 5.4521 5.5766 2.4542 2.3713 0.6304 0.1280 0.2535 2.3331 3.0303 2.0412 1.1581 1.0736 7.5140 2.9159 4.9099 5.0141 11.4597 4.4891 8.3953 20.9451 8.2768 24.4242 19.3621 30.6892 20.7025 20.4473 7.3212 32.6125 78.7561 23.2058 14.9239 90.4499 71.4780 22.4591 43.1416 32.4599 73.5467 137.6157 117.2628 52.5896 192.0973 18.3913 96.5731 280.4062 153.8226 81.2461 141.7228 110.8351 121.8239 83.2634 34.0856 143.6001 84.0490 48.1612 29.9031 153.2881 22.2972 20.7544 198.0106 30.6111 42.0012 11.6935 18.0567 142.1998 39.5900 155.4490 64.1598 46.2073 120.1064 25.2066 136.7202 187.4340 12.8745 802.6276 96.5798 297.7716 77.1224 139.1747 344.0076 790.9971 88.6206 362.1251 46.4283 83.8389 15.8525 236.5468 149.0256 213.8974 467.3538 621.9939 388.8490 245.4977 47.7389 885.2068 219.0537 517.4092 199.6278 194.1545 24.7322 163.7741 176.6857 300.9955 194.0140 147.7220 22.2901 88.8634 26.0876 203.0453 57.2770 43.9297 71.7988 4090.5560 3237.8933 1361.0687 1136.5810 1727.3682 1016.0381 809.3884 1053.3447 1116.1862 1363.1198 437.3100 1565.1893 890.2928 623.3266 956.8673 267.8307 211.6402 1508.5951 424.5298 824.3854 134.0317 607.6716 242.8448 364.5716 358.1711 193.6349 127.6618 137.7761 173.6400 125.2581 0.02 0.04 -0.05 0.06 0.02 -0.04 -0.08 0.01 -0.00 0.01 0.14 -0.10 0.08 0.01 -0.04 -0.01 0.04 -0.09 0.05 0.03 0.09 0.03 0.03 -0.01 0.01 0.02 -0.00 -0.04 -0.01 -0.02 -0.02 -0.01 -0.03 0.01 0.02 0.01 -0.02 0.01 0.01 -0.03 0.01 -0.09 -0.03 0.02 -0.09 0.03 0.04 0.08 -0.01 0.10 0.13 0.01 0.00 0.02 0.01 -0.04 0.05 0.04 0.01 -0.00 -0.08 0.20 0.23 -0.08 0.19 0.34 -0.07 0.15 0.18 -0.02 -0.00 -0.02 -0.02 -0.01 0.00 -0.03 0.00 -0.04 -0.04 -0.11 -0.15 -0.12 0.09 -0.20 -0.04 -0.24 -0.39 0.02 -0.02 0.04 0.03 -0.01 -0.00 0.02 -0.02 0.00 0.07 -0.13 0.02 0.07 -0.15 -0.03 0.08 -0.08 0.01 -0.01 -0.07 0.10 -0.01 -0.06 0.06 0.05 -0.14 0.10 -0.06 -0.01 -0.00 -0.04 -0.02 -0.01 -0.06 -0.04 -0.03 0.04 -0.11 0.06 0.03 -0.13 0.09 0.05 -0.12 0.05 0.01 -0.03 -0.02 0.04 -0.07 0.01 0.08 -0.02 -0.06 -0.01 -0.01 -0.04 -0.07 -0.00 -0.01 -0.01 -0.01 0.04 0.01 -0.02 0.04 -0.02 -0.00 0.06 -0.02 -0.01 0.02 -0.02 -0.00 0.04 -0.00 -0.01 -0.03 -0.00 -0.00 -0.06 0.06 -0.03 -0.02 0.05 -0.03 -0.00 0.00 0.02 -0.07 0.00 0.01 -0.08 0.05 -0.02 -0.02 0.00 0.01 -0.07 0.02 -0.01 -0.05 0.04 -0.02 -0.04 -0.01 -0.00 -0.06 -0.02 -0.02 -0.06 0.05 -0.01 -0.03 0.04 0.02 -0.04 0.02 -0.01 -0.01 -0.04 -0.04 -0.05 -0.03 -0.04 -0.06 -0.03 -0.03 -0.02 -0.02 0.05 -0.05 -0.00 0.01 0.05 -0.03 0.06 -0.04 -0.06 0.08 0.03 -0.02 0.02 0.05 -0.07 0.11 0.10 0.03 0.00 -0.04 0.03 -0.01 -0.01 0.04 0.01 -0.04 -0.02 0.05 0.00 -0.05 0.07 0.01 -0.02 0.03 0.01 -0.02 -0.21 0.39 0.02 -0.12 0.21 0.27 -0.47 0.45 -0.03 0.05 -0.10 -0.01 0.04 -0.10 -0.05 0.05 -0.05 0.03 0.06 -0.06 0.01 0.06 -0.06 0.01 0.06 -0.03 0.05 0.06 -0.09 0.05 0.05 -0.08 -0.02 -0.01 0.05 0.04 0.05 -0.09 -0.00 0.02 -0.08 -0.10 -0.04 -0.02 -0.16 0.01 -0.02 -0.09 -0.06 -0.07 -0.09 -0.04 0.03 -0.08 -0.05 -0.01 0.17 0.21 -0.08 0.00 -0.06 0.10 0.04 0.22 -0.18 0.02 0.18 -0.29 0.05 -0.02 0.00 0.13 -0.03 -0.04 0.07 0.12 -0.10 0.04 -0.07 0.07 0.12 0.22 -0.02 0.06 0.19 -0.09 0.03 -0.10 0.09 0.03 -0.07 0.09 0.01 -0.02 0.01 0.01 -0.00 -0.00 -0.04 -0.05 0.00 0.03 -0.02 0.09 0.05 -0.02 0.11 0.01 -0.03 0.05 0.23 -0.05 -0.06 0.18 -0.07 -0.08 0.22 -0.00 -0.02 -0.01 0.01 0.05 -0.02 -0.02 0.06 -0.01 0.01 0.07 -0.12 0.01 0.10 -0.13 0.06 0.06 -0.15 -0.01 0.07 -0.00 -0.00 0.00 -0.01 0.01 0.03 -0.03 -0.02 -0.00 0.07 -0.16 -0.05 0.03 -0.09 -0.02 0.09 -0.23 -0.07 0.00 0.01 -0.01 0.02 0.01 -0.00 -0.01 0.01 0.02 0.03 0.05 0.03 0.06 0.05 0.03 0.02 0.03 0.02 0.03 0.04 0.03 0.00 0.05 0.05 -0.08 -0.06 -0.02 0.06 0.08 0.01 0.03 -0.02 -0.00 0.09 -0.07 -0.06 0.08 0.01 -0.07 0.13 -0.08 -0.13 0.09 -0.13 -0.05 0.05 -0.07 0.00 -0.02 0.04 0.13 0.03 0.09 0.11 0.00 -0.01 0.12 -0.03 -0.03 0.12 -0.02 0.06 0.05 -0.01 0.02 0.02 0.05 -0.00 0.09 0.01 0.09 0.11 -0.01 0.08 0.15 0.01 0.06 0.15 0.05 0.11 0.13 0.07 0.08 0.10 0.13 0.00 0.05 0.10 0.00 0.02 0.10 -0.02 0.05 0.17 -0.03 0.00 0.12 -0.05 -0.05 0.16 -0.06 -0.04 0.02 -0.02 -0.01 -0.02 -0.04 -0.02 0.02 0.01 0.04 -0.16 -0.04 -0.12 -0.11 -0.09 -0.10 -0.21 -0.02 -0.06 -0.04 0.06 0.06 -0.03 0.07 0.01 -0.04 0.06 0.08 -0.13 -0.07 -0.06 -0.15 -0.07 -0.09 -0.08 -0.07 -0.03 -0.12 -0.11 -0.00 -0.15 -0.02 -0.01 -0.07 -0.17 0.00 -0.14 0.13 0.01 -0.16 0.13 0.01 -0.13 0.11 -0.03 -0.03 0.03 -0.07 0.04 0.03 -0.07 -0.07 -0.02 -0.07 -0.14 0.13 -0.01 -0.13 0.11 0.00 0.06 -0.05 0.05 -0.10 0.08 0.04 -0.09 0.10 0.04 0.03 -0.01 0.01 0.00 -0.00 0.01 -0.07 -0.07 0.00 0.03 0.10 0.02 0.13 -0.07 0.02 -0.05 0.08 0.10 -0.03 -0.00 -0.07 -0.03 0.04 0.10 -0.07 -0.01 0.03 -0.00 -0.08 -0.03 -0.01 -0.06 -0.02 0.09 0.01 0.09 -0.02 -0.09 -0.07 -0.05 0.08 0.09 -0.04 0.09 0.11 -0.03 -0.07 -0.11 -0.06 -0.04 -0.07 0.23 -0.01 0.01 0.18 -0.03 -0.04 0.21 -0.02 0.01 -0.16 0.06 0.03 -0.15 0.07 0.13 -0.14 0.04 0.03 -0.01 -0.05 -0.01 -0.04 -0.08 -0.02 -0.01 -0.02 0.02 0.10 0.11 0.04 0.08 0.13 0.03 0.13 0.10 0.01 -0.05 0.13 -0.00 -0.04 0.10 0.01 -0.03 0.14 0.07 0.09 0.12 -0.07 0.11 0.13 -0.01 0.10 0.07 -0.04 -0.12 -0.10 -0.05 -0.16 -0.07 0.02 -0.18 -0.09 -0.08 0.05 -0.12 -0.00 -0.02 -0.09 0.04 0.06 -0.07 -0.01 0.00 -0.03 -0.16 0.03 0.00 -0.23 0.02 0.02 -0.13 -0.13 -0.02 0.10 -0.12 -0.01 0.05 0.12 -0.13 -0.00 -0.15 -0.00 0.08 0.03 -0.10 -0.03 0.03 0.01 -0.01 -0.05 -0.01 -0.01 0.05 0.00 -0.04 0.05 0.03 0.06 0.06 -0.00 -0.06 -0.04 -0.06 0.08 -0.03 -0.02 -0.00 -0.11 -0.02 0.04 -0.07 0.00 -0.00 -0.03 -0.01 -0.04 -0.03 -0.05 -0.06 -0.12 -0.02 0.04 -0.02 -0.01 -0.01 -0.03 -0.05 0.08 -0.02 -0.06 0.07 -0.02 -0.01 0.00 -0.01 0.00 -0.01 -0.11 -0.04 0.04 -0.07 -0.08 0.09 -0.04 -0.02 0.00 0.03 0.02 -0.07 0.03 0.02 -0.07 0.03 0.02 -0.08 -0.01 -0.08 -0.09 -0.01 -0.08 -0.09 0.00 -0.08 -0.05 -0.10 0.24 0.05 -0.03 0.12 0.09 -0.13 0.30 0.19 -0.02 -0.02 0.01 -0.03 -0.00 0.02 -0.04 -0.03 0.03 0.30 -0.01 0.07 0.22 0.03 0.05 0.22 -0.02 0.03 -0.01 -0.09 -0.08 -0.03 -0.03 -0.08 0.02 -0.12 -0.08 -0.10 0.08 -0.11 -0.11 0.07 -0.11 -0.11 0.13 -0.06 0.09 -0.13 0.20 0.11 -0.11 0.18 0.18 -0.08 0.14 -0.01 0.10 -0.06 0.04 -0.01 0.03 0.06 -0.00 -0.14 0.02 0.05 -0.03 -0.05 0.02 -0.07 -0.06 0.00 -0.01 -0.09 0.19 -0.03 -0.09 -0.11 -0.18 -0.04 0.01 0.03 0.01 -0.08 0.15 -0.06 -0.19 -0.08 0.09 -0.01 0.02 -0.15 0.23 0.10 -0.11 0.21 -0.11 0.05 0.00 0.06 -0.01 -0.03 0.06 -0.05 0.12 0.16 0.06 0.03 0.03 -0.04 -0.21 -0.11 -0.04 -0.07 -0.01 0.06 0.03 0.03 0.06 0.01 0.04 0.19 -0.01 0.09 0.17 0.00 0.07 0.13 -0.04 0.09 0.04 -0.01 0.05 0.03 -0.02 0.05 0.02 -0.03 -0.01 -0.11 -0.08 0.05 -0.07 -0.05 0.05 -0.11 -0.10 -0.02 -0.02 0.04 0.05 0.00 0.02 0.06 -0.04 0.05 0.08 0.11 -0.11 -0.05 0.09 -0.06 -0.07 0.07 -0.13 -0.08 -0.04 0.03 0.07 -0.05 0.04 0.08 -0.02 -0.00 0.09 0.05 0.05 -0.01 0.08 0.02 -0.08 0.07 0.13 0.04 0.01 0.09 -0.03 0.04 0.05 -0.08 0.00 0.09 0.01 0.03 -0.01 -0.08 -0.05 -0.01 -0.08 -0.01 0.01 -0.01 0.08 -0.04 -0.16 0.10 -0.05 -0.19 0.01 -0.12 0.14 0.06 -0.11 -0.13 0.04 0.04 0.03 -0.02 -0.07 -0.05 0.01 -0.07 -0.06 0.01 -0.06 -0.06 -0.03 -0.13 -0.07 -0.07 -0.05 -0.04 -0.11 -0.08 0.02 0.01 -0.08 -0.02 0.08 -0.06 0.19 0.06 -0.05 0.32 0.07 0.02 -0.04 0.04 -0.01 -0.04 -0.01 0.00 0.15 0.04 -0.02 -0.05 -0.06 -0.01 0.02 -0.00 -0.03 0.05 0.01 -0.07 -0.01 -0.01 -0.01 0.01 -0.07 0.08 0.18 -0.06 0.10 0.17 -0.10 0.05 0.16 -0.08 0.12 0.11 -0.08 0.11 0.24 -0.05 0.06 0.08 -0.03 -0.03 -0.05 -0.02 -0.04 -0.03 -0.04 -0.02 -0.06 0.15 0.02 -0.02 0.12 0.03 -0.03 0.12 -0.01 -0.06 -0.06 -0.05 -0.04 -0.06 -0.04 -0.06 -0.07 -0.06 -0.04 -0.02 0.09 -0.05 0.02 0.08 -0.01 -0.06 0.08 -0.07 0.02 -0.04 -0.01 0.02 -0.00 -0.03 0.05 -0.03 0.01 0.17 0.04 -0.11 0.14 0.06 -0.09 0.16 0.05 -0.10 -0.09 0.16 0.16 -0.09 0.13 0.21 -0.07 0.12 0.10 0.02 0.10 -0.05 -0.01 0.12 -0.02 -0.07 -0.01 -0.05 0.04 0.10 -0.04 0.12 0.04 -0.08 -0.02 0.06 -0.01 -0.00 -0.03 0.01 -0.07 0.08 0.07 -0.02 0.14 -0.03 0.03 0.06 -0.07 -0.01 0.07 -0.09 -0.16 -0.06 0.06 0.19 0.04 0.11 0.14 0.03 0.24 -0.04 0.02 0.14 -0.02 -0.02 0.11 0.13 0.08 0.09 -0.07 -0.03 0.14 0.00 -0.01 -0.14 0.01 0.03 -0.10 -0.13 -0.07 0.07 -0.08 -0.12 0.01 0.10 0.17 0.09 0.06 0.11 0.07 0.09 0.15 0.05 0.04 -0.19 -0.17 0.07 -0.17 -0.30 -0.01 -0.11 -0.13 0.01 -0.09 0.06 -0.01 -0.08 0.02 -0.01 -0.08 0.01 0.05 -0.03 -0.04 0.04 -0.04 -0.05 0.02 -0.04 -0.04 -0.11 -0.07 0.09 -0.08 -0.16 0.07 -0.03 -0.00 0.06 0.04 -0.03 -0.01 0.06 -0.05 -0.04 0.05 0.01 -0.03 -0.06 -0.08 -0.05 -0.07 -0.04 -0.06 -0.05 -0.06 -0.04 0.06 0.10 0.01 0.04 0.06 -0.05 0.07 0.09 -0.02 -0.03 -0.08 0.01 -0.09 -0.10 0.06 -0.02 -0.07 0.00 -0.04 0.01 -0.13 -0.01 -0.03 -0.10 0.03 0.02 -0.08 -0.05 0.01 -0.13 0.00 0.04 0.09 -0.04 -0.02 0.05 0.01 -0.04 0.05 -0.13 -0.04 0.09 -0.05 0.07 -0.01 0.01 -0.05 0.05 -0.10 0.08 -0.01 0.17 0.13 -0.05 -0.05 -0.06 -0.08 -0.06 -0.07 -0.11 0.18 0.09 0.04 0.10 0.04 0.05 -0.04 -0.10 -0.05 0.19 0.11 0.00 -0.08 0.07 -0.02 -0.06 0.02 -0.04 0.15 0.11 -0.06 0.14 0.03 -0.05 -0.09 -0.15 -0.02 -0.08 -0.14 -0.01 -0.05 -0.12 -0.00 0.04 -0.14 0.06 0.04 -0.14 -0.00 0.04 -0.11 0.10 -0.03 -0.03 0.04 -0.06 -0.05 0.02 -0.05 0.01 -0.00 0.09 -0.08 -0.00 0.06 -0.05 -0.02 0.00 -0.13 -0.06 0.06 0.14 -0.09 0.04 0.19 -0.07 0.01 0.10 -0.06 0.02 -0.05 0.05 0.05 -0.07 0.04 0.03 -0.03 0.05 -0.13 -0.04 -0.05 -0.16 0.02 -0.04 -0.15 -0.01 -0.05 0.14 0.15 -0.02 0.10 0.14 -0.04 0.14 0.16 -0.03 -0.01 -0.08 0.03 0.06 -0.05 -0.01 -0.01 -0.08 0.03 -0.11 0.14 -0.08 -0.07 0.08 -0.05 0.01 -0.08 0.03 -0.11 0.12 -0.07 0.18 0.11 0.01 -0.06 0.05 0.03 -0.07 -0.02 0.04 -0.03 0.10 0.09 -0.06 0.05 0.03 -0.08 0.08 -0.05 -0.17 -0.07 0.09 0.05 -0.03 -0.00 -0.14 -0.07 0.13 -0.12 -0.05 0.15 0.03 -0.06 -0.06 0.00 -0.10 -0.07 -0.08 0.00 0.04 0.04 -0.05 -0.04 -0.13 0.00 0.11 -0.09 -0.02 0.12 0.07 -0.05 -0.00 0.06 -0.03 0.00 0.13 0.14 -0.12 0.17 0.17 -0.09 0.10 0.12 -0.13 0.05 -0.03 0.03 0.08 -0.02 0.00 0.03 0.00 0.06 -0.05 -0.12 -0.07 -0.02 -0.11 -0.05 -0.05 -0.12 -0.06 -0.05 -0.16 -0.01 -0.05 -0.10 -0.02 -0.07 -0.19 -0.06 -0.05 0.03 -0.00 -0.08 0.09 0.00 -0.11 -0.02 0.01 -0.04 -0.12 0.03 -0.05 -0.12 -0.01 -0.04 -0.09 0.01 0.14 -0.05 -0.06 0.12 0.00 -0.04 0.11 0.02 -0.05 0.00 -0.01 -0.10 0.05 0.03 -0.04 -0.02 -0.06 -0.05 0.22 0.10 -0.06 0.24 0.08 -0.02 0.12 0.02 -0.04 0.11 0.13 0.06 0.13 0.12 0.02 -0.07 0.06 0.01 0.07 0.10 0.06 0.02 -0.02 -0.09 0.08 0.07 0.02 0.09 0.21 -0.00 0.04 -0.01 -0.09 0.08 0.07 0.01 0.10 0.02 0.15 0.03 0.06 0.09 -0.17 -0.12 0.06 -0.10 -0.07 -0.08 -0.09 -0.06 -0.10 -0.10 0.02 0.01 -0.06 -0.00 -0.02 -0.09 -0.08 -0.07 -0.15 -0.07 0.02 0.01 -0.00 0.08 -0.02 -0.04 0.02 -0.19 -0.14 0.05 -0.19 -0.12 0.05 -0.10 -0.15 -0.05 -0.06 -0.11 -0.02 -0.03 -0.09 -0.00 -0.09 0.02 -0.08 -0.06 0.03 -0.06 -0.11 0.02 -0.12 0.01 -0.01 -0.05 0.01 -0.01 -0.05 0.03 -0.02 0.00 0.11 -0.15 -0.02 0.14 -0.07 -0.03 0.04 -0.20 -0.10 -0.01 -0.02 0.19 0.00 -0.05 0.16 0.02 0.00 0.19 -0.10 -0.01 0.09 -0.06 -0.04 0.06 -0.03 0.02 0.11 0.01 -0.05 -0.01 -0.00 -0.00 -0.03 0.05 -0.09 -0.00 0.16 0.03 -0.12 0.15 0.05 -0.09 0.15 -0.01 -0.13 0.02 0.06 0.00 0.09 0.09 -0.04 -0.03 0.03 0.03 0.00 0.12 -0.05 0.00 0.11 -0.04 0.10 0.03 0.14 0.01 0.10 -0.03 0.00 0.04 -0.05 0.03 -0.04 0.02 -0.03 -0.17 0.05 0.11 0.05 0.12 0.05 -0.06 0.09 0.00 0.02 -0.12 0.07 -0.06 0.08 -0.02 -0.03 0.03 -0.21 0.27 0.02 -0.08 0.30 -0.32 -0.02 0.12 -0.09 -0.00 0.11 -0.09 -0.09 0.17 0.08 -0.04 0.07 -0.06 0.07 -0.09 0.06 0.06 -0.00 0.11 -0.04 0.01 0.04 -0.05 0.03 0.05 0.01 0.06 0.01 -0.00 0.02 0.01 0.01 0.04 -0.04 -0.01 0.03 0.03 -0.03 0.02 0.02 0.00 0.02 0.06 -0.01 0.12 -0.11 -0.03 0.10 -0.10 0.00 0.12 -0.05 0.09 -0.12 0.05 0.11 -0.13 0.06 0.03 -0.14 0.05 0.04 -0.05 0.07 0.04 -0.08 0.10 0.06 -0.04 0.07 0.00 -0.07 -0.08 0.07 -0.08 -0.03 -0.00 -0.06 -0.09 -0.11 0.01 0.03 -0.09 -0.01 -0.00 -0.04 -0.10 0.02 0.12 0.02 -0.06 0.11 0.03 -0.05 0.12 -0.00 -0.06 -0.05 -0.10 -0.05 -0.06 -0.11 -0.02 -0.05 -0.11 -0.06 -0.07 -0.01 -0.09 -0.06 -0.03 -0.09 0.00 0.03 -0.11 -0.04 -0.06 -0.05 0.03 0.10 -0.08 -0.04 0.03 0.00 -0.09 0.09 -0.01 0.01 0.01 -0.08 -0.02 -0.01 0.05 -0.04 0.02 0.02 -0.04 0.06 0.02 0.10 -0.15 0.07 0.13 -0.12 0.00 0.06 -0.13 0.19 0.06 -0.05 -0.16 0.06 -0.01 -0.12 0.08 -0.04 -0.05 0.05 -0.08 -0.11 -0.01 0.05 -0.02 0.02 0.00 -0.02 0.11 -0.15 0.07 0.09 -0.08 0.09 0.05 0.04 -0.03 0.02 -0.00 -0.05 0.04 0.04 -0.04 0.17 -0.00 0.08 0.20 0.01 0.08 0.12 0.01 0.02 -0.06 0.17 0.01 -0.07 0.13 0.07 -0.08 0.20 0.00 -0.00 0.01 0.06 0.05 -0.03 0.08 -0.03 0.03 0.11 -0.07 -0.05 0.11 -0.07 -0.00 0.05 -0.10 -0.07 0.12 0.05 -0.03 0.06 0.04 -0.02 0.07 0.02 -0.03 0.05 -0.16 0.19 0.07 -0.13 0.13 0.06 -0.17 0.21 0.07 0.04 -0.09 -0.16 0.00 -0.06 -0.13 0.03 -0.04 -0.11 -0.00 -0.14 -0.04 -0.02 -0.13 -0.06 0.01 -0.11 -0.02 -0.10 0.03 -0.04 -0.06 -0.03 -0.01 -0.04 0.01 0.03 -0.12 0.05 -0.06 0.07 -0.06 -0.13 -0.04 0.02 0.01 -0.09 0.10 -0.01 0.08 0.04 -0.09 -0.03 -0.11 0.08 -0.11 0.05 0.04 0.00 -0.05 0.01 -0.08 0.10 -0.05 0.11 -0.14 0.01 0.07 -0.13 0.20 -0.00 0.14 0.05 0.00 0.11 0.03 0.07 -0.04 -0.07 -0.01 0.13 0.03 0.03 -0.03 -0.00 0.06 -0.04 0.02 -0.05 0.14 -0.03 -0.03 0.17 -0.05 0.06 0.07 -0.08 0.04 0.04 -0.08 0.03 0.06 -0.08 -0.07 0.20 -0.03 -0.10 0.18 0.03 -0.03 0.15 -0.03 0.03 -0.03 -0.09 0.01 -0.03 -0.13 0.03 -0.03 -0.07 0.07 -0.08 0.14 0.05 -0.08 0.14 0.03 -0.10 0.12 -0.07 0.01 -0.12 -0.06 -0.04 -0.10 -0.04 0.03 -0.10 0.02 -0.08 0.11 0.04 -0.07 0.14 -0.02 -0.08 0.08 -0.04 -0.15 -0.05 -0.06 -0.12 -0.02 -0.03 -0.25 -0.08 0.07 0.06 0.12 0.08 0.05 0.10 0.07 0.03 0.11 0.05 -0.15 -0.06 -0.00 -0.16 -0.06 0.02 -0.13 -0.01 -0.03 -0.06 -0.01 -0.00 -0.08 -0.02 -0.11 0.08 0.09 -0.04 -0.08 -0.00 0.01 0.12 0.06 0.02 -0.02 0.01 0.06 -0.03 0.02 0.10 0.04 0.04 0.01 -0.13 -0.02 -0.07 0.03 0.01 0.08 0.08 0.02 -0.06 -0.07 -0.11 -0.00 0.09 -0.05 0.02 0.09 -0.12 0.06 -0.17 0.14 0.02 -0.14 0.16 0.01 0.06 -0.03 0.04 -0.16 0.06 0.06 0.01 -0.00 0.03 0.03 -0.02 -0.01 -0.16 -0.13 -0.01 -0.09 -0.13 0.02 0.03 -0.03 0.02 0.02 -0.02 0.00 0.01 -0.04 -0.13 0.16 -0.02 -0.09 0.18 0.17 -0.08 0.13 0.01 0.05 -0.06 0.27 0.03 -0.06 0.24 0.03 -0.05 0.22 -0.08 0.00 -0.02 -0.06 -0.02 -0.01 -0.18 -0.03 -0.02 -0.03 0.08 -0.06 -0.01 -0.00 -0.03 0.03 0.12 0.04 -0.01 -0.08 0.06 -0.04 -0.07 0.04 -0.04 -0.07 0.04 -0.04 0.07 0.01 -0.04 0.11 -0.03 -0.06 0.21 0.06 -0.02 0.07 -0.09 -0.04 0.03 -0.14 -0.02 0.12 -0.06 0.05 -0.06 -0.01 0.05 -0.07 -0.00 0.02 -0.07 0.01 -0.03 0.10 -0.14 0.01 0.04 -0.09 -0.07 0.08 0.08 -0.01 0.07 -0.12 0.08 -0.12 0.08 0.04 0.03 0.01 -0.21 -0.02 0.02 -0.00 -0.02 -0.05 0.11 0.23 0.22 0.23 -0.03 -0.13 0.08 -0.03 0.10 0.01 0.04 -0.08 0.07 -0.09 0.02 0.06 -0.08 0.06 0.05 -0.05 0.02 0.04 -0.05 0.02 0.03 -0.08 0.03 0.07 -0.02 -0.01 0.10 -0.09 0.05 0.10 -0.09 0.06 0.06 0.03 -0.06 0.08 0.07 -0.08 -0.06 -0.07 0.07 -0.05 -0.07 0.07 0.01 -0.03 0.07 -0.00 0.10 -0.01 -0.00 0.10 0.02 0.01 0.09 0.00 0.06 -0.01 0.05 0.06 -0.00 0.05 0.06 -0.02 0.06 -0.09 -0.12 0.11 -0.04 -0.12 0.13 -0.14 -0.14 0.12 -0.15 0.05 -0.11 -0.13 -0.03 -0.08 -0.09 0.08 0.02 -0.15 -0.07 -0.15 -0.07 -0.09 -0.10 -0.04 -0.06 -0.09 0.07 0.04 0.02 0.09 0.03 -0.04 0.12 0.05 0.06 -0.03 0.03 -0.04 0.01 0.01 -0.06 -0.05 0.02 0.02 -0.12 0.07 0.03 -0.07 0.04 0.09 -0.13 -0.00 -0.03 0.02 0.00 -0.09 -0.02 0.04 -0.08 0.22 -0.12 -0.26 0.07 -0.02 -0.06 0.03 -0.03 0.00 -0.02 0.03 -0.03 -0.05 0.04 -0.04 -0.06 -0.00 -0.06 -0.01 0.05 -0.00 0.01 0.01 -0.05 0.02 -0.08 0.04 0.05 -0.23 -0.07 -0.01 -0.06 0.04 -0.00 -0.03 0.10 0.21 0.11 -0.02 0.18 0.12 -0.02 -0.03 -0.00 -0.01 0.15 0.03 -0.04 0.01 -0.01 0.09 0.01 -0.04 0.07 -0.03 -0.21 -0.09 -0.05 -0.23 -0.06 -0.01 0.08 -0.03 -0.00 0.06 -0.01 0.00 0.08 -0.04 -0.13 -0.02 -0.04 -0.06 0.02 0.09 -0.14 -0.01 -0.04 0.11 0.07 0.01 0.07 0.04 -0.00 0.11 0.10 0.03 -0.08 -0.01 -0.01 -0.11 0.00 -0.02 -0.10 -0.03 -0.04 0.25 -0.19 0.03 0.20 -0.07 0.08 0.15 -0.26 -0.04 -0.00 -0.06 -0.05 -0.00 -0.05 -0.05 -0.00 -0.05 -0.06 -0.07 -0.01 -0.00 -0.09 0.02 0.03 -0.07 -0.06 -0.03 -0.07 0.10 0.16 -0.09 0.10 0.16 -0.07 0.12 0.15 0.01 0.02 0.01 0.07 0.01 0.04 0.01 -0.02 -0.02 -0.06 0.05 0.08 -0.06 0.05 0.07 0.01 -0.01 -0.08 -0.03 0.01 0.12 0.15 0.07 0.02 -0.04 -0.02 -0.01 -0.11 0.00 -0.03 -0.02 -0.03 -0.08 -0.02 -0.02 0.06 -0.02 -0.02 -0.06 0.03 0.03 0.01 0.06 0.18 0.05 0.10 -0.03 -0.05 0.07 -0.02 0.08 -0.22 -0.14 0.07 -0.19 -0.11 0.07 0.04 0.03 -0.08 -0.17 -0.05 0.03 0.01 0.06 0.04 -0.00 0.02 0.00 -0.03 0.18 0.01 -0.07 0.11 0.06 -0.01 0.11 -0.02 -0.00 0.10 -0.02 -0.02 0.09 -0.04 -0.05 -0.05 0.03 -0.10 -0.07 -0.06 -0.05 -0.06 0.02 -0.01 -0.04 0.09 -0.02 -0.03 0.06 0.00 -0.06 0.12 0.03 -0.06 0.08 0.07 -0.10 0.10 -0.02 -0.05 0.13 0.36 0.02 0.06 0.28 0.17 0.14 0.23 -0.07 -0.08 0.05 -0.03 -0.09 0.08 -0.01 -0.03 0.02 -0.05 -0.10 -0.05 -0.02 -0.01 -0.07 0.02 -0.00 -0.07 0.02 -0.01 0.04 -0.07 -0.13 0.04 -0.05 -0.11 0.03 -0.08 -0.11 0.02 0.06 0.04 0.07 0.04 0.09 0.04 0.01 -0.02 -0.03 0.09 -0.02 -0.03 0.07 0.02 -0.03 -0.02 -0.10 -0.00 0.09 -0.01 -0.15 -0.11 0.02 -0.01 0.00 -0.01 0.03 0.07 -0.02 -0.04 -0.03 -0.05 -0.02 -0.03 -0.02 -0.04 0.00 0.03 0.06 0.05 0.13 0.03 0.07 0.03 -0.06 -0.07 0.10 -0.01 -0.01 0.18 0.02 0.02 0.01 0.04 0.01 0.00 -0.09 0.03 0.02 0.02 0.00 0.01 0.06 -0.03 0.08 0.06 -0.01 0.08 -0.00 -0.01 -0.02 -0.03 -0.07 0.01 -0.11 0.13 -0.04 -0.13 0.06 -0.04 -0.06 0.16 -0.06 -0.08 -0.14 0.10 -0.08 -0.14 0.10 -0.09 -0.14 0.10 0.08 0.01 -0.02 0.10 0.02 -0.02 0.10 -0.02 0.01 -0.01 0.03 -0.01 -0.02 -0.00 -0.01 -0.04 0.03 0.01 -0.00 0.23 0.12 0.03 0.18 0.06 0.03 0.25 0.21 0.02 0.00 -0.11 0.05 0.01 -0.06 0.01 -0.03 -0.11 0.18 0.04 0.04 0.22 0.01 -0.04 0.27 -0.01 0.07 -0.01 0.05 -0.02 0.01 0.01 -0.06 -0.01 0.05 -0.01 -0.09 -0.19 -0.07 -0.20 -0.22 -0.03 -0.03 -0.15 -0.08 0.04 -0.08 -0.09 0.05 -0.10 -0.07 -0.04 0.03 0.03 0.04 -0.10 -0.08 0.02 0.02 0.01 0.02 -0.03 -0.00 -0.02 -0.06 -0.01 0.07 -0.01 -0.02 0.03 -0.04 0.03 0.02 -0.02 -0.05 -0.16 0.09 -0.14 0.02 0.00 0.01 0.08 0.04 -0.05 0.01 -0.01 -0.03 0.12 0.06 -0.02 0.02 -0.01 -0.00 0.06 -0.00 -0.01 0.10 0.02 -0.04 -0.14 0.10 -0.15 -0.11 0.08 -0.13 -0.01 -0.07 -0.03 -0.02 -0.05 -0.01 0.02 -0.05 0.03 0.01 -0.05 0.03 0.01 -0.06 0.03 -0.01 0.10 -0.09 0.01 0.11 -0.02 -0.01 0.09 -0.10 -0.25 -0.10 -0.06 -0.18 -0.08 -0.01 -0.29 -0.09 -0.20 -0.04 0.02 0.11 -0.03 -0.07 0.12 -0.01 0.08 0.21 0.10 0.15 0.25 0.04 0.30 0.28 -0.03 0.07 0.10 -0.07 -0.07 -0.05 -0.06 -0.06 -0.02 -0.05 -0.08 -0.03 0.09 -0.01 -0.00 0.10 -0.03 -0.00 0.04 0.11 0.02 -0.01 0.04 0.06 0.03 0.03 0.05 -0.03 0.04 0.10 -0.02 -0.03 0.01 -0.04 -0.05 0.05 -0.03 -0.06 -0.01 0.04 -0.04 0.03 0.05 -0.03 0.01 0.02 -0.03 -0.05 -0.02 0.02 -0.03 0.09 0.06 -0.02 0.05 -0.01 0.03 0.05 0.09 0.02 0.07 -0.03 -0.03 0.06 -0.05 0.06 0.03 0.00 0.07 0.04 0.02 0.02 0.01 -0.02 -0.01 0.06 0.05 -0.11 0.08 0.08 -0.02 0.04 0.03 -0.03 -0.01 0.02 -0.01 -0.02 0.09 -0.12 0.03 0.02 -0.03 0.04 -0.16 -0.09 0.02 -0.08 -0.05 0.00 -0.05 -0.04 -0.02 -0.09 -0.02 -0.05 0.13 -0.05 -0.01 0.16 -0.03 -0.05 0.14 -0.05 -0.06 -0.15 0.15 -0.06 -0.15 0.18 -0.05 -0.16 0.15 -0.14 -0.02 -0.02 -0.14 -0.02 -0.01 -0.16 -0.00 -0.06 -0.06 -0.10 0.04 -0.05 -0.02 0.03 -0.15 -0.18 -0.05 -0.12 0.09 -0.00 -0.05 -0.05 -0.06 -0.00 0.17 0.15 0.15 0.02 -0.12 0.15 0.06 -0.03 0.07 -0.04 -0.14 -0.16 -0.04 -0.05 -0.18 -0.04 0.00 -0.23 0.01 -0.06 -0.06 -0.01 0.08 -0.04 -0.01 0.08 -0.06 -0.02 0.07 0.09 0.19 0.07 0.12 0.15 0.14 0.11 0.14 -0.01 0.02 -0.01 0.01 0.01 0.01 -0.03 0.03 0.03 0.08 -0.01 -0.02 0.01 0.01 0.01 -0.01 -0.05 -0.02 -0.06 -0.06 -0.10 -0.05 -0.06 -0.01 -0.03 -0.04 0.01 -0.04 -0.04 -0.01 -0.11 0.10 0.05 0.13 0.03 0.11 0.00 -0.03 -0.06 0.06 0.02 -0.04 0.01 0.03 -0.02 -0.03 0.05 0.01 -0.01 -0.01 -0.05 0.04 0.06 -0.01 -0.03 0.11 -0.20 -0.03 0.10 -0.11 0.01 0.03 0.05 -0.02 0.02 0.04 -0.01 0.02 -0.03 -0.00 0.05 0.03 0.01 -0.02 -0.05 0.00 0.01 0.05 -0.07 0.00 0.05 -0.07 0.01 0.05 -0.08 0.09 0.06 0.00 0.04 0.03 -0.02 0.09 0.06 0.06 0.02 0.01 -0.06 -0.00 0.05 -0.07 0.09 0.01 -0.09 0.02 0.19 0.21 0.10 0.03 0.14 0.17 0.30 0.33 -0.02 0.02 0.23 -0.08 -0.01 0.09 -0.02 0.10 0.21 -0.13 -0.01 -0.02 -0.14 -0.02 -0.01 -0.12 -0.07 -0.04 -0.01 -0.03 0.06 -0.01 -0.05 0.04 -0.01 -0.03 0.03 0.08 0.14 0.01 0.04 0.17 -0.04 0.01 0.17 0.10 0.03 -0.06 -0.07 0.02 -0.04 -0.10 -0.05 0.01 -0.21 0.02 -0.07 -0.06 0.01 -0.06 0.00 0.07 0.01 -0.07 0.01 -0.04 -0.07 0.05 0.01 -0.05 0.08 0.04 -0.02 0.08 0.03 -0.13 0.04 -0.02 0.02 0.02 -0.02 -0.00 0.03 0.02 -0.11 0.01 0.02 -0.05 -0.01 0.03 0.02 -0.04 0.01 0.02 0.01 0.04 -0.13 -0.04 0.02 -0.00 0.01 -0.00 0.06 -0.03 -0.01 0.03 -0.02 -0.02 -0.02 -0.05 -0.07 0.01 0.03 0.10 -0.04 0.04 0.05 -0.02 0.04 0.08 -0.08 -0.08 -0.17 0.18 -0.08 -0.17 0.13 -0.10 -0.16 0.18 -0.08 -0.02 -0.01 -0.06 -0.01 -0.00 -0.08 -0.04 -0.02 0.03 0.16 0.03 0.07 -0.04 0.07 0.16 0.33 0.28 -0.01 -0.01 -0.08 -0.02 0.02 -0.08 -0.04 -0.03 -0.04 -0.20 -0.07 0.24 -0.26 -0.13 0.06 -0.10 0.04 0.26 0.01 -0.02 -0.00 0.00 -0.02 0.01 -0.02 0.02 -0.01 0.05 0.00 -0.02 0.03 0.02 -0.01 0.05 0.02 -0.01 -0.00 -0.03 0.03 -0.07 -0.04 0.05 -0.08 -0.04 0.10 0.00 -0.01 0.04 0.01 -0.01 0.04 0.07 0.04 -0.22 0.00 -0.02 0.05 0.02 0.04 0.00 -0.00 0.00 0.01 -0.11 -0.02 0.01 0.06 0.03 -0.01 0.01 -0.02 0.07 -0.02 0.02 -0.03 0.03 -0.05 0.04 0.00 -0.02 -0.02 0.03 -0.02 -0.09 -0.01 -0.05 -0.11 0.02 0.03 0.02 -0.02 -0.01 0.02 0.08 -0.04 -0.10 0.01 0.03 0.01 0.01 0.03 0.11 -0.01 -0.00 0.08 -0.01 -0.02 -0.03 -0.02 -0.05 -0.03 0.13 -0.02 -0.01 0.08 -0.01 -0.07 0.06 -0.06 0.00 -0.02 -0.04 0.01 -0.02 -0.04 0.10 0.01 -0.07 0.01 -0.09 -0.04 -0.02 -0.05 -0.03 -0.00 -0.09 -0.06 -0.03 -0.03 -0.11 -0.16 -0.03 0.13 -0.20 -0.19 -0.31 -0.44 0.03 0.00 -0.00 -0.02 0.11 0.05 -0.06 -0.06 -0.03 0.13 0.17 0.13 0.14 0.15 0.09 0.09 0.20 0.09 0.08 0.02 0.02 0.12 0.00 -0.04 0.13 0.04 0.06 -0.02 0.04 0.00 -0.04 0.03 -0.01 0.00 0.02 -0.06 -0.15 0.01 0.03 -0.29 0.01 0.02 -0.09 0.11 0.06 -0.03 -0.04 -0.04 -0.05 -0.02 -0.01 -0.02 0.02 -0.05 0.02 -0.06 -0.01 0.01 0.05 0.01 -0.03 0.00 0.01 0.04 0.03 0.02 -0.07 -0.01 0.04 -0.05 0.01 -0.04 -0.03 -0.01 0.06 0.08 0.01 0.11 0.01 0.03 0.00 -0.05 -0.06 -0.15 -0.04 -0.06 -0.20 0.03 -0.01 -0.01 0.01 -0.02 0.00 0.03 -0.05 -0.21 0.04 0.00 -0.01 0.05 -0.11 0.07 -0.00 -0.09 0.04 0.02 0.04 0.01 0.03 0.06 0.01 0.22 0.05 -0.06 0.21 0.08 -0.10 0.12 -0.01 -0.06 0.01 0.06 -0.06 0.01 0.06 -0.10 0.01 0.07 -0.05 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 0.00 -0.01 0.02 0.02 0.08 -0.02 0.00 -0.03 -0.01 0.09 0.16 0.10 -0.03 0.01 0.04 0.03 -0.11 -0.02 0.07 0.08 0.14 -0.06 -0.08 -0.13 -0.05 -0.08 -0.11 -0.05 -0.09 -0.13 -0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.02 0.00 -0.01 0.03 -0.00 -0.03 0.01 0.01 -0.02 0.03 0.02 -0.02 -0.11 -0.01 0.22 -0.26 -0.16 0.51 -0.04 -0.10 0.06 -0.00 0.02 0.03 0.01 -0.02 0.08 -0.02 -0.03 0.15 0.01 0.00 0.05 0.03 0.00 -0.02 0.01 0.03 -0.03 0.03 0.01 -0.04 0.08 0.07 -0.02 0.02 -0.01 -0.04 -0.01 0.05 -0.07 -0.14 0.02 -0.19 -0.04 -0.05 0.02 -0.17 -0.11 0.08 -0.16 -0.12 -0.02 -0.09 0.02 0.00 0.01 0.09 -0.03 -0.04 -0.12 0.04 -0.13 -0.01 0.04 -0.10 0.10 -0.19 -0.03 0.06 -0.17 -0.06 -0.10 -0.01 -0.07 -0.11 -0.00 0.17 -0.11 -0.03 0.18 -0.03 -0.07 0.10 -0.14 -0.00 0.03 -0.07 0.11 0.08 -0.04 0.12 -0.01 -0.04 0.09 0.16 0.06 0.04 0.11 0.05 -0.00 0.15 0.09 0.02 -0.00 -0.07 0.19 0.00 -0.05 0.19 -0.04 -0.09 0.16 0.04 0.08 -0.06 -0.01 0.19 0.00 -0.06 0.01 -0.14 0.04 0.02 -0.00 0.09 0.03 0.09 -0.02 -0.01 -0.02 -0.02 -0.01 -0.01 -0.02 -0.01 -0.02 0.03 -0.10 -0.02 -0.05 0.02 0.03 0.00 -0.02 -0.02 -0.08 -0.00 0.08 -0.09 0.07 0.12 -0.20 -0.00 0.25 -0.06 0.06 0.06 0.02 -0.06 -0.08 -0.01 -0.04 -0.05 -0.00 0.05 -0.02 0.01 0.01 -0.13 -0.07 -0.01 0.03 0.05 -0.04 -0.02 0.12 -0.05 -0.02 -0.04 -0.10 -0.01 0.05 0.01 -0.06 0.08 -0.06 0.02 -0.02 0.00 -0.08 0.08 0.11 0.01 -0.08 -0.02 -0.04 -0.05 0.02 0.02 0.10 -0.11 -0.05 0.08 -0.10 -0.02 -0.09 0.05 -0.12 0.20 -0.05 -0.06 -0.05 0.11 0.00 -0.05 0.06 -0.05 0.09 0.15 0.04 0.10 0.14 0.05 -0.02 0.20 -0.08 -0.02 0.15 -0.07 0.00 0.21 -0.10 -0.12 0.02 -0.11 -0.19 -0.01 -0.19 -0.08 0.01 -0.06 0.03 -0.03 -0.03 0.03 -0.05 -0.01 0.03 -0.01 -0.02 0.01 -0.11 0.19 0.02 -0.02 0.18 -0.07 -0.19 0.08 -0.09 -0.14 0.09 -0.10 -0.07 0.00 -0.13 -0.16 -0.07 0.05 0.06 0.13 0.09 0.07 0.19 0.02 0.04 0.12 0.01 0.07 0.04 0.06 0.04 -0.05 0.10 0.05 0.08 -0.08 -0.00 0.02 -0.05 -0.03 -0.00 -0.10 0.00 0.08 -0.07 0.04 0.00 -0.15 0.02 0.02 -0.07 0.07 0.02 -0.04 0.01 -0.09 -0.06 0.02 -0.06 0.07 -0.06 -0.05 0.00 0.00 -0.07 0.01 -0.12 -0.04 -0.01 -0.04 -0.03 0.09 -0.08 -0.02 -0.14 -0.11 0.01 -0.02 0.05 -0.07 0.03 -0.08 0.00 0.07 0.04 0.11 -0.09 -0.19 0.03 0.03 0.02 -0.07 0.05 0.04 -0.03 -0.11 0.09 0.02 -0.09 0.08 -0.01 -0.01 0.05 -0.09 -0.20 0.04 0.07 0.03 -0.06 0.08 -0.01 -0.04 0.06 -0.07 -0.20 0.02 -0.05 -0.12 -0.02 -0.05 0.14 -0.03 -0.06 0.09 -0.02 -0.03 0.15 -0.04 0.23 0.13 -0.01 0.34 0.17 0.06 0.13 0.16 -0.12 -0.07 0.02 0.01 -0.04 0.04 0.01 -0.06 -0.01 0.01 -0.03 -0.09 0.16 -0.00 0.01 0.15 -0.10 -0.17 0.05 0.08 0.12 -0.14 0.11 -0.01 -0.07 0.15 0.16 0.08 0.03 0.06 0.08 0.07 0.07 0.16 0.01 0.01 0.09 0.06 -0.04 -0.02 0.04 0.00 -0.00 0.04 -0.03 -0.02 -0.02 0.04 -0.01 0.02 0.06 0.01 -0.04 0.01 0.03 -0.04 -0.01 -0.04 -0.10 -0.00 -0.06 -0.04 0.03 -0.00 -0.02 0.03 0.03 -0.01 0.03 0.01 0.02 -0.08 -0.10 -0.02 -0.00 0.05 -0.06 0.10 0.02 0.04 -0.06 0.09 -0.08 -0.04 0.09 0.03 -0.13 0.00 0.05 -0.01 0.13 0.10 -0.10 0.09 -0.11 -0.02 -0.18 -0.05 -0.02 0.01 -0.12 -0.07 0.02 -0.06 -0.01 0.08 -0.02 0.06 0.06 0.03 0.05 0.04 -0.13 0.03 -0.08 -0.06 0.02 0.07 -0.07 0.12 -0.13 -0.01 0.06 -0.13 -0.02 -0.04 0.01 -0.00 -0.02 -0.01 -0.05 0.21 -0.10 -0.02 0.18 -0.06 0.01 0.25 -0.10 0.05 0.07 -0.04 0.03 0.05 0.08 0.09 0.00 -0.08 0.08 0.03 0.01 0.03 0.01 -0.03 0.06 0.06 -0.01 -0.05 0.08 -0.20 -0.01 0.07 -0.19 -0.04 0.10 -0.16 0.03 0.03 -0.03 -0.06 0.21 0.09 -0.13 -0.08 -0.18 -0.04 -0.03 0.03 -0.11 -0.04 -0.08 0.02 0.02 0.05 -0.08 -0.00 -0.01 -0.08 -0.06 0.03 -0.11 -0.05 -0.04 0.10 -0.02 -0.05 0.08 -0.03 -0.08 0.12 -0.02 -0.10 0.02 0.03 0.05 -0.11 -0.04 0.17 0.02 0.01 0.02 0.07 -0.14 0.00 0.05 -0.11 -0.01 0.10 -0.15 0.10 0.03 -0.05 -0.07 0.04 0.08 0.06 0.02 -0.03 0.04 -0.07 -0.02 0.04 0.06 -0.04 -0.01 0.03 -0.03 0.08 0.03 -0.03 0.03 -0.12 0.06 -0.03 0.00 0.02 -0.06 -0.02 -0.01 -0.02 -0.00 0.01 -0.00 -0.06 -0.05 -0.12 -0.02 0.06 -0.12 -0.04 0.02 -0.04 -0.04 -0.03 -0.10 -0.06 -0.13 -0.19 -0.03 -0.08 -0.13 -0.00 0.01 -0.06 -0.02 0.02 -0.05 -0.00 0.08 -0.02 -0.01 0.03 -0.01 0.02 0.08 -0.05 0.04 -0.00 0.03 0.01 -0.02 0.06 0.06 -0.04 0.01 0.04 0.08 0.10 0.09 0.10 0.15 0.04 0.05 0.03 0.16 0.00 -0.07 0.04 0.08 -0.12 0.31 -0.00 -0.16 -0.02 -0.00 0.04 0.03 -0.12 0.04 0.09 0.07 0.08 -0.05 0.05 0.03 -0.02 -0.01 -0.02 0.01 0.09 0.04 0.17 -0.09 -0.04 0.08 0.10 0.05 0.08 0.00 -0.06 -0.11 -0.02 0.15 -0.16 -0.00 0.19 -0.08 -0.01 0.06 -0.04 -0.10 -0.00 -0.07 -0.10 0.00 -0.03 -0.09 0.01 -0.11 0.30 0.04 -0.00 0.17 0.07 0.03 -0.05 0.03 -0.16 0.25 0.07 -0.11 -0.15 -0.07 0.00 -0.00 -0.03 0.02 -0.02 -0.03 0.01 0.00 -0.02 0.01 -0.00 -0.01 -0.00 0.01 -0.03 -0.05 0.07 0.00 0.02 0.06 -0.00 -0.01 0.01 0.01 -0.00 0.01 -0.00 0.04 0.04 0.05 0.04 0.02 0.04 -0.01 0.00 0.02 0.03 0.04 0.03 -0.02 -0.10 -0.13 -0.01 -0.05 -0.07 0.02 0.06 0.00 0.03 0.04 -0.00 0.01 -0.01 -0.00 -0.01 -0.02 -0.02 -0.00 -0.02 -0.00 -0.05 -0.02 -0.01 -0.07 -0.03 -0.03 -0.04 -0.02 0.01 0.06 0.04 0.04 0.07 0.04 0.06 0.07 0.04 0.04 -0.21 -0.04 0.04 -0.02 -0.03 0.09 -0.52 -0.12 0.03 -0.02 -0.02 0.04 0.05 -0.18 -0.02 0.12 0.08 0.10 0.02 0.10 0.02 0.03 0.14 0.10 -0.01 0.03 0.03 0.03 -0.05 -0.02 -0.06 -0.01 0.18 -0.20 0.04 -0.12 0.14 -0.01 -0.16 0.12 0.05 -0.09 0.14 -0.02 -0.13 -0.06 -0.07 -0.03 -0.20 -0.08 -0.03 -0.02 -0.00 -0.00 0.02 0.05 0.24 0.09 0.01 0.19 -0.01 0.03 -0.07 -0.10 0.12 0.16 0.10 0.11 0.01 0.00 -0.01 0.00 -0.02 -0.01 0.00 0.02 -0.00 -0.01 0.01 -0.01 0.02 0.00 -0.00 -0.01 -0.05 0.03 0.00 -0.05 -0.04 0.08 0.02 0.01 -0.02 0.02 0.01 -0.01 0.00 -0.05 0.10 0.05 -0.16 0.05 -0.00 0.00 -0.01 0.01 -0.07 0.13 -0.03 -0.10 -0.10 -0.03 -0.06 -0.06 -0.03 -0.05 0.08 0.00 -0.05 0.06 0.00 0.01 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.02 -0.00 -0.01 -0.00 0.00 0.05 -0.01 -0.01 -0.01 0.14 -0.23 -0.28 0.12 -0.22 -0.38 0.17 -0.23 -0.16 0.02 -0.01 -0.01 0.02 0.01 -0.01 0.02 -0.02 -0.03 0.04 0.09 -0.09 0.06 0.02 -0.03 0.08 0.11 0.02 -0.02 0.02 0.00 0.00 0.02 0.01 -0.00 0.03 0.01 -0.11 0.29 0.16 0.00 0.14 -0.01 0.24 -0.17 0.17 -0.01 -0.01 0.04 -0.04 0.02 0.08 0.00 0.00 0.01 -0.00 -0.04 -0.01 0.02 -0.02 -0.04 -0.00 -0.03 0.00 -0.06 0.13 0.09 -0.01 0.09 0.08 0.00 -0.00 -0.02 -0.10 0.12 0.09 -0.01 0.01 0.05 0.01 -0.00 0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.03 -0.03 -0.01 -0.06 -0.05 -0.00 -0.00 -0.00 0.02 -0.01 -0.00 0.00 0.00 0.02 -0.01 -0.00 0.01 0.02 -0.01 -0.01 0.02 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.03 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.04 0.00 -0.02 -0.01 0.02 -0.02 0.02 -0.02 -0.05 0.03 0.01 0.01 0.05 0.18 -0.07 0.03 0.00 0.09 -0.05 0.33 -0.13 -0.17 -0.00 -0.00 0.01 -0.02 0.03 0.01 -0.03 -0.02 -0.01 -0.09 0.12 -0.03 0.00 0.07 0.00 -0.03 0.13 0.00 -0.12 -0.01 -0.01 -0.16 -0.06 0.12 -0.30 0.12 -0.06 -0.20 0.20 -0.14 -0.03 0.17 -0.19 -0.27 0.14 -0.00 0.05 -0.10 0.01 -0.23 -0.18 0.13 0.06 -0.07 0.04 0.18 -0.06 0.14 0.26 -0.12 0.11 0.00 -0.00 -0.01 0.08 -0.01 0.06 -0.07 0.02 -0.08 0.00 0.00 0.00 -0.02 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.02 -0.00 0.01 -0.02 -0.03 -0.02 0.01 0.07 -0.19 0.36 0.01 0.00 0.01 0.02 0.01 -0.01 0.04 -0.01 -0.06 0.08 -0.00 -0.07 0.01 -0.00 0.01 0.07 -0.05 0.07 -0.00 -0.03 -0.02 0.02 -0.03 0.01 0.09 -0.09 0.38 0.12 -0.01 0.38 0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.19 -0.01 -0.14 -0.27 -0.05 -0.27 -0.15 -0.00 -0.07 -0.04 0.08 0.04 -0.02 0.05 0.13 -0.05 0.10 0.00 0.02 -0.00 -0.02 0.02 -0.04 -0.02 0.06 0.03 0.02 0.06 0.13 -0.18 0.01 0.23 -0.10 -0.06 0.03 0.01 0.01 -0.00 0.01 -0.00 -0.02 -0.03 0.02 0.02 0.00 0.04 -0.07 -0.03 -0.00 -0.02 0.05 -0.15 0.18 -0.03 -0.02 -0.03 -0.01 -0.03 -0.02 0.00 -0.02 -0.03 -0.02 -0.01 0.01 -0.00 -0.03 0.00 0.01 -0.01 0.01 0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.01 -0.01 0.02 -0.05 -0.01 0.01 -0.01 -0.01 -0.02 -0.04 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.02 0.03 0.01 -0.00 0.00 -0.03 -0.00 0.01 -0.01 -0.01 -0.07 -0.04 0.02 -0.00 0.02 -0.08 -0.12 -0.20 -0.08 -0.12 -0.18 -0.01 0.01 -0.01 0.01 0.04 -0.01 -0.08 -0.12 -0.22 -0.01 0.00 -0.01 -0.07 -0.02 0.04 -0.12 -0.08 -0.04 0.00 0.00 0.01 -0.00 -0.00 0.02 0.04 0.11 0.30 0.03 -0.03 0.35 0.02 0.02 0.14 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.04 0.03 0.01 0.02 0.03 -0.01 0.05 0.03 0.04 -0.06 -0.02 0.02 -0.01 0.04 0.02 -0.17 -0.08 -0.04 0.00 0.02 0.01 -0.08 0.23 0.03 -0.18 -0.11 -0.05 -0.08 0.14 -0.06 -0.03 0.15 0.04 -0.06 0.07 -0.02 -0.03 -0.01 -0.02 -0.02 -0.00 -0.05 0.05 -0.11 -0.01 0.04 -0.06 0.06 0.03 -0.06 0.06 0.06 -0.06 0.02 0.14 -0.10 -0.01 0.35 0.02 -0.22 0.12 -0.08 0.05 0.05 0.01 -0.08 0.06 -0.02 -0.06 0.01 -0.01 0.05 0.05 -0.03 -0.05 0.00 -0.02 0.01 0.00 -0.00 -0.02 0.00 -0.03 -0.01 -0.02 -0.02 -0.02 0.01 0.02 -0.00 0.00 -0.00 -0.02 0.04 0.03 0.03 -0.01 -0.01 0.01 0.03 0.05 0.12 0.05 0.07 0.10 0.00 -0.02 0.01 -0.01 -0.01 0.03 0.03 0.07 0.13 0.01 -0.02 -0.01 0.07 0.07 0.03 0.11 0.07 0.06 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.02 -0.06 -0.19 0.04 -0.03 -0.14 0.04 -0.02 -0.15 0.01 -0.00 -0.00 0.02 -0.00 0.03 0.01 -0.01 -0.02 -0.07 -0.01 -0.04 -0.08 -0.02 -0.02 -0.08 0.01 -0.04 -0.09 -0.03 0.01 -0.00 0.08 0.02 -0.22 -0.12 -0.09 0.01 -0.01 -0.02 0.04 -0.08 -0.02 0.07 0.03 -0.00 -0.15 0.22 -0.05 -0.07 0.23 0.06 -0.09 0.15 0.01 -0.05 -0.01 -0.01 -0.05 -0.03 0.01 -0.12 0.10 -0.00 0.06 -0.11 0.14 0.02 -0.12 0.14 0.10 -0.11 0.06 0.12 -0.14 0.15 -0.13 -0.26 0.34 0.16 -0.16 0.11 0.08 0.10 -0.12 0.18 -0.05 -0.04 0.00 -0.00 -0.01 0.07 0.03 -0.08 0.01 -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 0.01 -0.00 0.00 0.00 0.02 0.05 0.01 -0.03 0.01 -0.01 -0.03 -0.02 -0.01 -0.02 -0.02 -0.02 -0.01 -0.00 -0.01 0.01 -0.02 -0.03 -0.01 -0.02 -0.02 -0.00 -0.01 -0.00 0.02 0.02 0.00 0.02 0.02 -0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.01 -0.00 0.00 0.05 0.01 0.06 0.03 -0.05 -0.01 0.07 0.01 0.00 0.01 0.01 0.00 -0.02 0.00 0.01 0.01 0.02 -0.03 -0.05 -0.01 -0.10 0.03 0.01 0.02 -0.01 -0.01 0.01 -0.01 -0.01 -0.02 -0.00 0.01 0.03 0.03 0.00 -0.01 -0.01 0.03 -0.07 -0.01 0.06 0.04 0.01 0.02 -0.03 0.01 0.01 -0.03 -0.02 0.03 -0.02 0.00 0.01 -0.02 0.04 -0.04 -0.10 0.25 -0.52 0.67 0.02 0.01 -0.01 0.04 0.02 -0.01 0.04 0.02 -0.02 0.02 -0.01 0.02 -0.05 -0.30 -0.09 0.13 -0.03 0.02 -0.03 0.02 0.03 -0.03 0.07 -0.01 -0.04 -0.01 0.03 -0.08 -0.01 0.02 -0.03 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.06 0.00 -0.02 0.01 -0.00 -0.03 -0.02 0.02 -0.01 -0.01 -0.00 0.01 0.01 0.01 0.01 -0.02 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.02 0.05 0.01 -0.03 0.06 0.03 -0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.02 0.02 -0.02 -0.02 -0.12 -0.00 0.09 0.03 -0.08 0.00 -0.00 -0.00 0.01 0.00 0.05 0.01 -0.01 -0.00 -0.01 -0.01 -0.02 -0.01 -0.04 0.03 -0.02 0.01 -0.01 0.01 -0.00 0.01 0.00 0.03 -0.00 -0.01 -0.04 -0.04 0.00 -0.00 -0.01 0.05 -0.13 -0.02 0.11 0.08 0.04 -0.03 0.03 -0.01 -0.01 0.03 0.02 -0.04 0.01 -0.01 0.04 -0.01 0.03 0.03 -0.05 0.10 -0.21 0.36 0.03 -0.02 0.02 -0.03 -0.01 0.02 -0.04 -0.02 0.03 -0.02 -0.01 -0.02 0.08 0.67 0.25 -0.37 0.03 -0.01 0.04 -0.06 -0.04 0.00 -0.14 0.03 0.03 0.01 -0.05 0.11 -0.00 0.01 -0.00 0.00 0.03 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.03 -0.01 0.01 -0.01 0.12 0.26 0.04 -0.03 -0.01 0.00 -0.10 -0.07 0.01 -0.07 -0.06 -0.03 0.03 -0.03 0.04 -0.01 -0.05 0.07 -0.04 -0.05 -0.04 0.04 -0.02 0.02 0.12 0.10 -0.06 0.12 0.11 -0.07 0.00 -0.01 0.02 0.02 0.00 -0.00 0.01 0.02 0.07 0.01 0.05 0.06 -0.05 -0.02 0.07 -0.01 -0.00 0.00 -0.01 -0.00 0.02 0.00 -0.01 0.01 -0.10 0.02 -0.02 -0.06 0.05 -0.02 -0.10 -0.01 -0.04 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.06 0.01 -0.00 0.00 -0.02 -0.03 0.19 -0.48 -0.09 0.40 0.26 0.15 0.00 -0.01 0.00 0.00 -0.02 -0.03 0.03 0.01 0.01 -0.01 0.00 -0.03 0.01 0.05 -0.11 0.22 -0.30 -0.02 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.03 -0.00 0.01 0.01 0.00 -0.03 -0.13 -0.05 0.06 -0.00 -0.00 -0.02 0.01 0.02 0.02 0.02 0.00 0.02 -0.03 0.08 -0.20 -0.02 0.06 -0.01 0.02 -0.00 0.04 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.02 0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.03 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.02 0.02 0.04 -0.12 -0.02 -0.00 -0.00 0.00 0.01 0.02 0.01 -0.01 -0.00 0.01 -0.01 -0.02 -0.07 0.14 0.03 0.88 0.13 -0.22 -0.12 -0.00 0.02 -0.01 0.00 0.02 0.00 0.00 0.01 -0.00 0.02 0.03 0.03 -0.04 0.17 -0.01 -0.09 -0.11 -0.16 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 0.03 -0.02 0.07 -0.04 -0.06 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.06 -0.03 0.06 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.07 -0.01 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.01 -0.05 -0.03 -0.01 0.03 0.03 -0.00 -0.01 0.02 -0.05 0.02 -0.01 0.01 0.05 0.00 -0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.01 0.00 -0.01 -0.05 -0.00 -0.04 -0.02 -0.01 -0.03 -0.00 0.01 -0.03 0.02 0.01 -0.04 -0.03 0.04 0.01 0.01 0.05 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.03 0.02 -0.01 0.02 -0.00 -0.06 -0.10 -0.00 0.11 0.08 -0.02 0.00 -0.01 0.01 -0.05 -0.03 -0.14 0.00 0.00 0.02 -0.03 0.00 -0.00 -0.05 -0.00 -0.02 -0.03 0.01 0.01 -0.01 0.03 0.02 -0.06 0.17 -0.01 -0.09 -0.08 -0.15 0.01 0.00 -0.01 -0.00 0.03 0.01 -0.01 -0.01 -0.00 0.03 -0.06 0.02 0.04 -0.02 0.11 -0.09 -0.10 -0.04 -0.06 -0.00 -0.02 -0.05 -0.02 -0.04 -0.01 -0.09 -0.02 0.02 -0.00 0.05 0.06 -0.01 0.05 0.02 -0.01 0.06 -0.13 -0.01 -0.03 0.07 0.12 -0.26 -0.11 0.05 0.00 0.15 0.07 0.01 0.15 0.08 0.01 0.08 -0.25 0.71 0.14 0.06 0.01 -0.00 -0.06 -0.02 0.01 -0.00 -0.01 -0.04 -0.03 -0.01 0.04 0.02 -0.01 -0.00 0.03 -0.03 0.01 -0.01 0.01 0.02 0.06 0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.01 0.01 0.00 0.01 0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.03 0.02 -0.01 -0.01 -0.01 0.00 -0.01 0.05 0.01 -0.02 -0.01 0.01 0.05 0.06 0.05 0.02 0.03 0.02 0.01 -0.01 0.02 -0.09 -0.05 -0.31 -0.01 0.03 0.03 0.00 0.00 -0.01 0.02 0.01 0.01 0.01 -0.01 -0.01 0.04 0.04 0.03 -0.01 0.23 -0.01 -0.34 -0.23 -0.27 0.01 0.00 -0.01 0.04 -0.10 0.00 0.09 0.06 0.04 -0.03 -0.00 -0.01 0.06 0.02 0.17 -0.10 -0.08 -0.02 0.04 0.00 0.01 0.04 0.02 0.02 0.02 0.04 0.01 -0.01 0.01 -0.03 -0.06 0.01 -0.03 0.01 0.07 -0.03 0.10 0.03 -0.01 -0.24 -0.14 0.29 0.02 -0.03 0.01 -0.10 -0.05 0.00 -0.09 -0.06 -0.01 0.05 -0.16 0.48 -0.11 -0.05 -0.00 0.02 0.01 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.02 0.01 -0.01 0.00 -0.04 0.02 -0.01 0.01 -0.01 -0.09 -0.03 -0.02 0.02 -0.02 -0.00 -0.00 0.00 0.03 0.01 -0.05 0.07 -0.02 0.20 0.04 -0.10 0.24 -0.00 -0.02 0.02 0.06 -0.00 0.13 0.00 -0.03 -0.00 0.02 -0.05 0.00 -0.01 -0.00 -0.03 0.00 -0.04 -0.05 -0.01 0.00 0.00 0.00 -0.01 0.02 0.05 0.04 -0.00 -0.00 0.00 0.01 0.06 0.03 -0.01 -0.04 0.06 0.03 -0.03 0.13 -0.11 0.02 0.13 -0.04 0.01 0.07 -0.02 -0.00 -0.05 -0.00 -0.00 -0.13 0.01 0.51 0.20 0.20 0.01 -0.00 0.01 -0.08 0.21 0.05 -0.17 -0.12 -0.08 0.02 0.02 0.01 -0.06 0.03 -0.10 0.01 0.06 -0.01 0.04 -0.04 -0.01 -0.01 -0.04 0.12 -0.13 0.02 -0.09 -0.07 -0.08 -0.06 -0.04 -0.06 -0.04 -0.11 -0.08 0.03 0.01 0.00 -0.00 -0.11 -0.03 0.04 0.02 0.03 0.02 -0.02 0.04 -0.02 -0.00 -0.00 0.00 0.05 -0.14 0.34 -0.02 0.02 -0.01 0.07 0.08 0.19 -0.00 0.00 -0.01 -0.04 -0.02 -0.01 0.02 0.02 0.00 -0.01 0.01 -0.03 0.02 -0.01 0.00 0.03 0.11 0.03 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.06 -0.03 0.04 -0.02 0.06 -0.06 -0.01 0.07 -0.09 -0.00 -0.01 0.01 -0.04 0.06 -0.02 -0.00 0.01 0.01 -0.05 0.04 -0.01 0.02 0.00 0.01 0.03 -0.02 0.00 -0.01 0.00 0.00 0.01 -0.02 0.03 0.06 0.04 -0.01 -0.02 0.00 -0.02 0.03 0.02 0.22 0.02 -0.03 -0.00 0.02 -0.07 0.06 -0.00 -0.06 0.02 0.00 -0.05 0.01 -0.05 -0.05 -0.02 0.05 -0.26 0.04 0.41 0.26 0.33 -0.00 -0.00 -0.00 0.08 -0.21 -0.03 0.17 0.11 0.10 0.02 0.04 0.01 -0.10 0.05 -0.13 0.01 0.07 -0.02 -0.00 0.02 0.01 0.02 0.02 -0.04 0.06 0.01 0.04 0.01 0.00 -0.01 0.05 0.01 0.01 -0.00 -0.06 -0.01 0.03 0.00 0.00 -0.13 -0.03 0.05 0.04 0.04 0.03 -0.03 -0.02 -0.00 -0.01 -0.03 -0.02 0.07 -0.19 0.46 -0.05 -0.02 -0.01 -0.03 0.05 -0.05 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.02 0.00 0.01 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.10 -0.12 -0.08 0.13 -0.03 -0.01 -0.05 -0.05 0.04 0.17 0.06 -0.23 -0.07 0.08 -0.00 -0.07 0.07 -0.03 -0.01 -0.07 0.05 -0.11 0.09 0.02 0.17 0.01 -0.06 0.27 -0.08 -0.05 0.09 -0.03 -0.03 0.07 -0.04 -0.01 -0.00 0.01 0.01 0.00 0.03 0.01 0.01 0.02 0.03 -0.03 0.00 -0.02 0.03 0.03 -0.03 -0.05 0.05 0.01 -0.04 -0.07 0.03 -0.03 -0.05 0.00 -0.06 -0.07 -0.04 0.02 0.00 -0.00 0.05 -0.05 0.02 -0.09 -0.01 0.04 -0.00 -0.02 0.03 -0.20 0.48 0.05 -0.42 -0.31 -0.09 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 0.04 -0.05 0.04 0.07 0.07 -0.01 -0.01 -0.01 -0.05 0.02 0.03 0.01 -0.01 -0.05 0.02 0.00 -0.01 -0.07 -0.05 0.08 0.00 -0.02 -0.01 -0.05 0.03 0.04 -0.06 0.03 0.07 0.01 -0.01 0.05 0.02 0.01 0.08 -0.05 0.08 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.02 -0.01 -0.02 0.00 0.01 0.02 -0.02 0.00 0.01 -0.03 0.06 0.04 0.06 -0.02 -0.03 0.01 0.01 -0.01 -0.04 -0.01 0.06 -0.02 0.18 0.05 -0.01 0.15 0.01 0.01 0.02 -0.02 -0.10 0.17 0.09 -0.05 0.01 0.02 -0.07 0.02 0.02 0.09 -0.03 -0.02 0.10 0.02 -0.03 0.01 -0.00 -0.00 -0.01 -0.00 -0.02 -0.03 -0.02 -0.00 -0.03 -0.01 -0.01 -0.15 -0.06 -0.22 0.00 -0.02 0.01 0.04 -0.06 0.04 -0.01 -0.05 -0.02 0.02 -0.03 0.02 0.01 0.02 0.04 -0.17 0.41 -0.07 0.31 -0.12 -0.36 -0.01 -0.01 0.02 0.07 -0.20 -0.03 0.14 0.10 0.10 -0.01 -0.03 -0.01 0.04 -0.02 0.09 -0.03 -0.07 -0.00 -0.02 0.00 0.01 -0.00 -0.01 -0.02 -0.02 0.07 0.03 -0.06 -0.15 -0.07 0.01 -0.10 0.00 -0.11 -0.17 0.07 -0.03 -0.00 -0.00 0.07 0.03 -0.05 -0.03 -0.02 -0.02 0.04 0.04 -0.05 0.05 0.03 -0.05 -0.04 0.08 -0.14 0.03 0.04 -0.05 0.01 0.22 0.09 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.02 0.00 -0.01 0.00 0.02 -0.01 -0.01 0.01 0.11 0.02 0.16 -0.03 -0.04 0.01 0.02 -0.01 -0.10 -0.04 0.15 -0.15 -0.02 0.07 -0.10 -0.00 0.05 -0.02 0.04 -0.02 -0.16 0.03 0.08 -0.06 0.00 0.02 -0.13 0.05 -0.01 0.21 -0.08 -0.05 0.21 -0.03 -0.05 -0.00 -0.00 -0.00 0.00 -0.03 0.01 0.02 -0.00 -0.03 -0.05 0.00 -0.03 -0.00 0.03 -0.03 -0.03 0.06 0.08 -0.01 0.06 -0.07 0.02 0.09 -0.09 0.03 0.00 -0.01 0.04 0.01 -0.03 0.17 -0.27 0.05 -0.44 -0.00 0.20 -0.02 -0.02 0.03 0.07 -0.20 -0.08 0.14 0.08 0.13 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.01 0.02 -0.00 0.02 0.01 0.00 -0.03 -0.11 0.25 -0.19 -0.15 -0.19 0.01 0.06 0.06 -0.06 0.03 0.01 0.06 0.07 -0.08 -0.01 0.00 0.00 0.02 0.03 -0.05 -0.00 0.03 0.02 0.02 -0.01 -0.02 0.04 -0.04 -0.03 0.02 -0.05 0.05 -0.02 -0.01 -0.05 -0.11 -0.01 0.07 0.00 -0.00 0.00 0.01 -0.03 0.01 0.02 -0.01 -0.03 -0.00 0.03 0.00 -0.03 0.01 0.02 -0.01 -0.01 0.02 0.03 -0.02 -0.00 -0.00 -0.00 0.01 0.05 0.02 -0.08 -0.03 -0.04 -0.02 -0.04 -0.02 -0.01 0.01 -0.02 0.01 -0.02 -0.03 -0.03 0.02 0.00 0.00 0.05 -0.03 0.00 0.03 -0.01 -0.00 0.01 0.04 0.01 0.00 0.00 0.00 -0.01 0.02 -0.01 -0.03 -0.01 0.02 0.00 0.00 -0.00 -0.16 -0.07 -0.06 0.06 -0.10 -0.04 -0.02 -0.00 -0.00 0.05 0.07 -0.04 0.00 -0.08 -0.05 -0.06 -0.01 0.02 -0.19 0.27 -0.05 0.47 0.03 -0.18 0.00 -0.00 0.00 -0.03 0.07 0.00 -0.06 -0.05 0.00 0.00 -0.00 -0.01 -0.03 0.03 0.01 -0.01 -0.03 -0.01 0.03 0.04 0.01 -0.04 -0.16 0.39 -0.24 -0.35 -0.31 0.05 0.06 0.02 0.15 0.03 -0.01 0.00 -0.01 0.12 0.01 0.00 0.00 0.03 0.00 0.01 0.02 -0.00 -0.01 -0.03 -0.01 -0.01 -0.03 -0.02 -0.01 -0.04 0.07 -0.04 -0.06 0.01 -0.03 -0.01 -0.06 -0.04 -0.00 0.00 -0.00 -0.01 0.03 -0.01 -0.02 0.01 0.03 0.00 -0.04 -0.00 0.03 -0.01 -0.03 -0.01 -0.00 0.01 -0.04 0.01 0.02 -0.00 -0.00 0.00 0.02 0.01 -0.01 0.06 0.05 -0.02 0.03 0.05 -0.02 -0.01 0.00 -0.00 0.05 0.04 -0.02 0.01 0.01 0.00 0.03 -0.01 0.01 -0.06 0.03 0.02 -0.06 -0.03 0.01 -0.00 0.00 -0.00 0.00 -0.03 0.01 0.03 0.01 -0.02 0.01 -0.00 0.00 0.17 0.07 0.05 -0.07 0.10 0.02 -0.01 -0.05 0.05 0.07 0.04 -0.02 -0.00 -0.12 -0.05 0.04 0.01 -0.01 0.10 -0.13 0.02 -0.28 -0.04 0.07 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.02 -0.02 0.00 0.00 0.02 0.00 0.03 0.05 0.01 -0.06 -0.20 0.49 -0.31 -0.44 -0.39 -0.05 -0.06 -0.03 -0.10 -0.05 -0.01 -0.03 -0.01 -0.06 -0.01 0.00 -0.00 -0.00 0.03 -0.05 -0.01 0.03 0.02 0.01 0.02 -0.03 0.04 -0.03 -0.00 0.04 -0.06 0.03 -0.02 0.02 -0.04 0.03 0.04 0.00 -0.01 0.00 -0.00 0.06 -0.14 0.03 0.05 -0.03 -0.13 0.01 0.16 0.03 -0.14 0.04 0.10 -0.08 -0.06 0.03 -0.04 -0.01 -0.01 0.00 -0.00 0.01 0.09 0.01 -0.25 0.03 0.03 0.01 0.02 0.02 0.01 0.08 -0.08 0.05 0.02 0.02 0.01 -0.01 0.01 0.01 0.07 -0.04 0.04 -0.02 -0.00 0.00 -0.01 0.06 -0.00 0.01 0.00 0.00 -0.05 0.04 -0.06 -0.07 -0.01 0.07 0.00 0.02 0.02 -0.27 -0.11 0.05 0.15 -0.21 -0.08 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.02 0.05 -0.01 -0.04 0.26 -0.38 0.07 -0.35 0.08 0.33 0.00 0.00 -0.00 -0.01 0.01 0.05 -0.01 -0.00 -0.04 0.02 -0.00 -0.01 -0.03 0.02 -0.03 -0.04 -0.02 -0.04 -0.00 0.01 0.00 -0.01 -0.03 0.07 -0.05 -0.06 -0.06 -0.05 -0.04 -0.01 -0.14 -0.03 -0.00 0.01 0.02 -0.13 -0.01 -0.01 0.00 0.04 0.02 -0.05 0.02 0.02 -0.01 0.02 0.01 -0.01 0.03 -0.02 0.02 -0.14 0.20 0.10 0.02 0.01 -0.01 0.01 0.03 0.03 0.01 -0.00 -0.01 0.02 -0.04 0.00 0.00 -0.01 -0.04 0.01 0.02 0.03 -0.04 0.02 0.02 -0.06 -0.02 0.03 0.05 0.03 0.03 0.00 0.00 0.00 0.04 0.00 -0.11 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.04 -0.04 0.02 0.00 0.00 0.01 -0.02 0.00 0.00 0.03 -0.02 0.02 0.01 0.02 0.01 0.01 -0.15 0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.01 0.01 0.02 -0.03 -0.04 -0.01 0.65 0.28 -0.03 -0.36 0.47 0.20 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.02 0.08 -0.02 0.08 -0.01 -0.07 -0.00 -0.00 -0.00 0.02 -0.04 -0.03 0.03 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.03 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 0.01 0.01 0.01 0.00 0.03 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.03 0.05 0.08 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 0.02 -0.03 -0.03 0.01 0.05 0.01 -0.00 -0.01 0.04 -0.05 -0.01 -0.02 0.06 0.32 0.17 -0.14 0.02 -0.02 0.00 -0.02 0.01 -0.01 -0.28 -0.05 0.63 0.01 0.00 -0.01 -0.02 -0.01 -0.00 -0.18 0.21 -0.14 0.01 0.01 -0.02 0.05 -0.02 -0.00 -0.23 0.13 -0.14 -0.01 0.01 0.00 -0.02 -0.03 0.01 0.01 -0.01 -0.00 0.05 0.02 0.03 -0.08 -0.10 -0.06 -0.00 -0.01 -0.00 0.11 0.05 -0.01 -0.05 0.08 0.06 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.03 0.06 0.00 0.00 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.02 0.01 -0.00 -0.01 -0.05 0.15 0.02 -0.13 -0.11 0.06 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.03 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.02 0.03 -0.02 -0.02 -0.02 0.00 -0.01 -0.01 -0.01 0.01 0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.03 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.04 0.09 -0.17 0.02 -0.05 0.05 0.01 0.01 -0.01 0.01 -0.01 0.01 0.11 0.01 -0.00 -0.09 -0.06 -0.02 0.04 -0.01 0.14 -0.07 0.08 -0.13 0.08 0.05 -0.05 0.02 -0.01 0.00 -0.01 0.00 -0.02 -0.06 0.07 0.48 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.21 0.23 -0.16 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.08 0.04 -0.06 -0.01 0.00 -0.00 -0.02 0.01 0.01 0.01 -0.03 0.02 0.12 -0.11 0.15 0.04 -0.12 -0.19 0.01 0.01 -0.00 -0.07 -0.03 -0.00 0.02 -0.06 -0.09 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.02 0.04 0.04 -0.02 0.07 0.01 -0.03 -0.00 -0.00 -0.00 -0.03 0.10 -0.05 -0.09 -0.07 0.01 0.01 -0.00 0.00 -0.00 0.01 0.03 -0.16 0.02 -0.10 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 -0.00 -0.02 0.01 -0.00 -0.00 -0.13 0.03 -0.08 -0.03 0.08 0.11 -0.01 0.00 0.00 0.02 -0.02 -0.00 -0.00 -0.07 0.55 -0.01 -0.02 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.02 0.00 -0.00 0.02 0.01 0.01 -0.01 0.02 -0.03 0.00 -0.02 0.02 -0.27 -0.22 0.11 -0.04 0.04 0.00 -0.01 -0.02 -0.02 0.43 0.36 0.21 -0.01 -0.00 0.00 0.02 0.01 -0.01 -0.26 0.33 -0.25 -0.01 -0.01 0.02 -0.00 0.02 -0.00 0.27 -0.14 0.13 0.01 -0.01 0.00 0.02 0.01 -0.02 0.01 -0.01 0.01 0.11 -0.02 0.11 -0.07 -0.14 -0.17 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.02 0.05 0.00 -0.00 0.00 0.01 0.00 0.01 -0.02 0.01 -0.08 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 -0.00 0.01 0.01 0.03 -0.09 0.04 0.09 0.09 -0.15 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.02 -0.02 0.01 0.03 -0.00 -0.00 0.00 -0.01 0.00 0.02 -0.00 -0.01 -0.04 0.01 0.04 -0.02 -0.01 -0.01 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.02 -0.00 0.01 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.18 -0.10 -0.06 0.06 0.01 -0.00 0.00 -0.01 -0.10 -0.04 0.10 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.02 0.03 -0.04 -0.00 -0.01 0.02 0.01 -0.00 -0.00 0.01 0.05 0.05 0.01 -0.01 0.00 0.03 0.02 -0.02 0.00 -0.01 0.01 -0.02 0.16 -0.08 -0.13 -0.03 0.12 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.01 0.03 -0.01 -0.01 -0.01 -0.01 0.10 0.00 0.02 0.05 0.03 0.04 -0.01 0.01 0.01 0.00 -0.07 0.11 0.08 0.09 -0.27 0.00 0.02 0.02 0.03 0.05 0.11 0.08 -0.09 0.11 -0.00 0.00 0.00 0.02 -0.08 0.02 -0.03 -0.02 -0.03 -0.00 0.00 -0.00 -0.01 0.02 0.02 0.00 -0.02 -0.03 -0.03 0.01 -0.03 0.39 -0.18 0.40 -0.08 -0.37 -0.35 0.01 0.00 0.00 -0.10 0.13 0.00 0.01 -0.01 0.14 0.12 -0.02 0.06 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.01 0.00 0.01 0.00 -0.01 -0.00 -0.04 0.31 0.19 0.15 -0.10 0.01 0.00 -0.01 0.01 0.23 0.15 -0.05 0.00 -0.00 0.01 -0.02 0.00 0.02 -0.11 0.05 -0.00 0.01 0.03 -0.04 -0.02 0.01 -0.00 -0.00 -0.13 -0.09 -0.02 0.02 -0.01 -0.08 -0.06 0.06 0.00 -0.00 0.00 0.04 0.08 0.01 -0.05 -0.03 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.05 -0.03 -0.12 0.00 0.00 -0.00 -0.02 -0.01 -0.02 0.02 0.00 0.05 -0.00 -0.00 -0.01 0.03 -0.02 0.00 -0.01 0.01 0.02 0.01 -0.02 -0.01 0.03 0.12 -0.33 -0.13 -0.15 0.54 0.00 0.01 0.01 0.03 0.00 0.04 0.06 -0.02 0.06 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 0.03 -0.03 -0.03 -0.01 -0.02 0.01 -0.02 0.01 -0.01 0.21 -0.08 0.20 -0.06 -0.20 -0.17 0.02 -0.02 -0.00 -0.02 0.05 -0.03 0.01 -0.05 0.04 -0.05 0.13 -0.11 0.00 -0.01 0.01 -0.04 0.03 0.04 0.05 -0.03 0.07 0.01 0.01 -0.08 -0.09 -0.02 0.00 0.05 0.02 -0.03 0.04 0.00 -0.02 -0.05 -0.01 -0.02 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.04 -0.01 0.03 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.03 -0.01 -0.03 0.00 -0.00 0.00 0.03 0.04 -0.03 -0.01 -0.00 0.00 0.07 -0.07 0.10 0.14 0.04 -0.07 -0.00 -0.01 -0.00 0.02 0.00 0.01 0.03 0.03 0.10 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.00 0.01 0.02 0.01 0.01 0.02 -0.42 -0.15 -0.08 -0.12 -0.05 -0.03 -0.00 0.00 -0.00 -0.02 -0.02 0.13 -0.00 0.00 -0.05 -0.01 0.01 0.01 0.23 -0.31 -0.34 0.26 0.44 -0.01 -0.00 0.00 0.00 0.01 -0.04 0.00 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.08 -0.01 0.00 -0.05 0.02 0.17 -0.00 0.01 -0.01 0.08 -0.06 0.13 -0.13 -0.14 -0.02 0.00 0.00 0.00 -0.05 0.07 -0.02 0.05 -0.14 0.02 0.03 0.01 0.01 0.02 -0.00 -0.01 0.04 -0.02 0.02 -0.03 0.03 0.02 -0.01 -0.07 0.02 0.04 0.01 -0.05 -0.03 0.04 -0.03 0.03 0.22 0.10 -0.21 -0.20 -0.17 0.00 -0.00 0.01 0.12 0.06 -0.09 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.05 -0.02 0.04 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.04 -0.07 -0.08 -0.00 0.01 0.01 0.15 0.20 -0.16 0.00 -0.00 0.00 0.02 0.04 0.00 -0.05 -0.04 -0.00 -0.00 -0.01 -0.02 0.00 -0.00 0.05 0.24 0.08 0.49 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.04 -0.00 0.00 0.00 -0.01 -0.02 0.00 -0.00 0.01 0.02 0.01 -0.00 -0.03 -0.09 -0.04 0.51 -0.06 -0.07 0.21 0.00 0.00 0.00 0.01 0.01 0.02 -0.04 -0.00 -0.02 0.00 -0.00 -0.00 -0.01 0.02 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.03 -0.02 -0.02 -0.01 -0.02 0.02 -0.00 -0.00 -0.00 0.04 -0.01 0.02 -0.01 -0.03 -0.02 0.01 -0.01 0.00 0.01 0.00 -0.03 -0.02 0.11 0.05 -0.06 0.07 -0.07 -0.01 -0.00 -0.00 0.11 0.10 0.01 -0.11 -0.09 0.04 -0.13 -0.02 -0.03 0.15 -0.10 -0.09 0.03 0.18 0.10 -0.02 0.06 0.04 0.12 0.04 0.06 -0.00 -0.00 -0.00 0.10 0.08 0.02 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.07 0.05 -0.02 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.04 -0.02 0.01 0.01 -0.01 -0.07 -0.13 0.08 0.01 -0.01 0.00 0.06 -0.03 0.06 0.04 -0.01 -0.04 0.01 0.01 0.03 -0.01 -0.00 -0.02 -0.28 -0.12 -0.61 0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.02 -0.09 -0.03 -0.00 -0.03 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.07 0.12 0.04 0.02 0.06 -0.00 -0.01 -0.01 0.14 -0.15 -0.11 0.07 0.18 -0.05 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.04 -0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.06 -0.02 0.04 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.04 0.37 0.09 -0.03 0.04 -0.04 0.01 -0.00 0.00 -0.04 0.09 -0.03 0.05 -0.09 -0.02 -0.07 0.14 -0.09 -0.05 -0.08 0.07 0.11 -0.01 0.08 0.01 0.14 0.07 -0.14 -0.13 -0.12 -0.00 0.00 -0.01 0.05 0.06 0.09 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.10 0.06 -0.02 0.02 0.02 0.01 -0.00 0.00 0.00 -0.02 -0.04 -0.05 0.01 0.01 0.01 0.10 0.12 -0.11 -0.00 -0.00 -0.00 0.03 -0.07 0.06 0.14 0.07 -0.03 -0.01 -0.01 -0.00 -0.03 -0.02 0.04 0.09 0.00 0.16 -0.00 0.00 -0.00 0.03 0.01 0.02 0.01 -0.03 -0.00 -0.01 -0.01 -0.02 0.29 0.14 0.05 0.09 0.02 -0.02 0.01 -0.00 -0.02 -0.09 -0.03 0.48 -0.05 -0.05 0.09 0.01 -0.01 -0.02 -0.16 0.21 0.23 -0.03 -0.34 0.11 0.00 -0.00 -0.00 -0.02 0.06 0.00 0.01 0.00 0.01 -0.01 0.01 0.01 -0.05 -0.00 -0.01 0.04 -0.03 -0.13 -0.01 0.00 0.00 -0.02 0.01 -0.00 0.06 0.04 -0.04 0.01 -0.00 0.00 0.04 -0.04 -0.01 0.08 -0.11 -0.14 -0.06 0.03 -0.04 -0.03 0.01 0.00 -0.00 0.01 0.10 0.00 0.04 0.20 0.05 -0.08 -0.07 -0.10 -0.00 -0.09 0.05 0.07 -0.12 0.09 0.01 -0.06 0.07 0.06 0.05 -0.00 -0.01 0.00 0.11 0.06 -0.07 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.06 -0.01 0.04 0.01 0.01 0.01 0.00 -0.00 0.01 -0.07 -0.02 -0.07 0.01 0.00 -0.00 -0.04 -0.10 0.05 -0.00 -0.00 0.00 0.04 -0.05 0.06 0.07 0.00 -0.06 -0.00 0.00 0.02 0.05 0.03 -0.04 -0.19 -0.02 -0.32 -0.00 0.00 -0.00 -0.05 -0.02 -0.01 0.00 0.03 0.07 -0.01 -0.01 -0.01 0.37 0.12 0.08 0.09 0.04 0.04 -0.01 0.00 -0.00 -0.01 -0.04 0.06 0.02 0.02 -0.05 0.01 -0.00 -0.01 -0.17 0.27 0.32 -0.16 -0.39 0.07 0.00 0.00 -0.00 0.02 -0.06 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.10 0.02 0.02 0.06 -0.02 -0.19 -0.01 0.00 -0.00 -0.01 -0.01 0.02 0.05 0.01 -0.05 0.00 0.00 -0.00 -0.01 -0.01 0.04 0.05 -0.03 -0.13 0.05 -0.03 0.04 -0.03 0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.02 -0.06 -0.01 0.06 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.08 -0.04 0.07 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.06 0.03 -0.06 -0.00 -0.00 0.00 0.01 0.01 0.00 0.07 0.03 0.08 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.08 0.09 -0.12 -0.12 -0.02 0.11 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.01 0.00 -0.00 0.43 0.23 0.15 0.06 -0.37 -0.34 0.00 0.00 0.00 -0.04 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.02 -0.02 0.02 -0.00 0.00 0.00 -0.05 0.01 -0.04 0.05 -0.01 0.04 -0.01 -0.02 0.00 -0.20 0.45 0.05 -0.00 0.06 0.03 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.02 -0.01 0.00 0.01 0.08 0.01 0.00 0.05 -0.01 -0.06 0.01 -0.00 0.00 0.14 -0.09 -0.15 0.01 -0.02 0.05 -0.20 -0.08 -0.04 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.02 0.01 -0.00 0.02 0.01 0.01 0.01 -0.03 -0.02 0.02 0.13 0.03 -0.10 -0.01 0.05 0.02 0.01 -0.00 0.01 0.08 0.02 -0.13 0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.10 -0.10 0.14 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.12 -0.03 -0.11 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.01 -0.01 0.21 -0.26 0.33 0.35 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.18 0.10 0.06 0.05 -0.17 -0.09 -0.01 -0.00 -0.01 0.15 0.03 0.03 0.08 0.05 0.04 -0.00 0.00 0.00 0.01 -0.03 -0.01 0.04 0.04 -0.11 -0.00 0.00 -0.00 0.25 -0.08 0.18 -0.10 0.04 -0.08 -0.00 -0.01 0.00 -0.07 0.15 0.03 -0.02 0.02 0.00 -0.00 0.00 0.00 -0.03 0.03 0.04 0.02 -0.02 -0.07 -0.01 0.02 -0.01 0.05 -0.05 0.12 -0.22 -0.16 0.05 0.01 -0.00 0.00 -0.00 0.06 -0.09 -0.04 0.04 -0.12 -0.01 -0.08 0.04 -0.01 0.02 -0.01 -0.01 -0.03 -0.02 0.02 0.03 -0.04 0.03 0.01 0.03 -0.01 0.03 0.03 -0.03 -0.06 -0.01 0.09 0.15 0.02 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.10 0.06 -0.06 -0.00 0.00 -0.00 -0.02 -0.01 -0.00 -0.05 -0.01 0.03 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.09 -0.04 -0.09 0.02 0.01 -0.00 0.01 -0.08 0.00 0.00 0.00 -0.00 0.01 0.11 -0.04 -0.10 -0.03 0.05 0.00 -0.00 0.03 0.07 0.03 -0.03 -0.31 -0.06 -0.55 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.02 -0.01 0.06 0.00 0.00 0.00 -0.06 -0.02 -0.01 -0.03 -0.01 -0.01 -0.01 -0.00 -0.03 -0.11 -0.11 0.64 0.00 0.01 -0.07 -0.00 0.00 0.00 -0.01 -0.03 -0.07 0.02 0.06 -0.01 0.00 -0.00 -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.01 -0.01 -0.01 -0.01 0.03 -0.00 -0.00 0.00 0.01 0.01 -0.03 0.02 0.02 0.00 0.00 -0.00 0.00 0.02 -0.01 -0.02 -0.02 -0.07 0.03 -0.04 0.03 -0.04 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.00 0.32 0.08 -0.24 -0.02 0.11 0.05 0.00 -0.02 0.02 0.36 0.21 -0.16 0.00 0.01 -0.00 -0.04 -0.02 -0.00 -0.22 -0.02 0.10 -0.01 -0.01 -0.01 -0.02 -0.00 0.02 -0.29 -0.08 -0.29 -0.00 -0.01 0.00 -0.01 0.02 0.02 0.01 -0.01 -0.01 0.06 0.23 -0.04 -0.15 -0.05 0.10 0.00 0.00 -0.01 -0.02 -0.01 0.01 0.07 0.01 0.13 -0.01 0.00 -0.00 0.07 0.04 0.01 0.06 -0.11 0.09 0.01 0.00 0.01 -0.10 -0.02 -0.02 -0.03 -0.03 -0.03 -0.01 0.01 0.02 0.05 -0.02 -0.19 0.08 0.08 -0.22 0.00 -0.00 0.00 -0.19 0.07 -0.12 0.06 -0.04 0.05 -0.00 -0.00 -0.00 -0.02 0.04 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.03 0.03 0.04 -0.00 0.03 0.02 -0.01 -0.01 0.01 0.01 0.03 -0.07 0.11 0.07 -0.04 -0.00 0.01 -0.00 0.01 -0.02 0.02 0.02 -0.00 0.06 0.05 -0.11 0.09 0.02 0.02 -0.03 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.02 -0.01 0.00 0.03 -0.01 -0.00 0.03 0.00 -0.03 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.05 0.03 -0.02 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.02 0.02 -0.03 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.03 0.02 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.30 -0.15 -0.29 -0.08 0.20 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.02 0.00 0.04 0.00 0.00 -0.00 -0.02 -0.01 0.00 0.00 0.01 0.03 -0.03 -0.00 -0.01 0.22 0.08 0.05 0.13 0.06 0.04 0.00 0.00 0.00 0.01 0.00 -0.02 -0.00 -0.00 0.02 -0.02 -0.00 -0.00 0.54 -0.26 0.23 -0.15 0.23 -0.18 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.12 0.04 0.04 0.06 0.01 -0.17 0.01 -0.01 0.01 -0.00 0.06 -0.13 -0.15 -0.00 0.18 0.00 0.00 -0.00 0.03 -0.02 -0.03 0.03 -0.03 0.03 -0.01 -0.08 0.04 -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 -0.01 -0.13 -0.07 0.01 -0.13 -0.06 0.00 0.01 -0.00 -0.07 -0.04 0.03 -0.00 -0.00 -0.00 0.00 0.05 0.03 -0.05 -0.04 0.06 0.00 0.02 -0.03 -0.01 0.00 -0.00 0.01 -0.07 -0.04 0.00 0.01 0.00 0.01 0.03 -0.01 -0.00 -0.00 -0.00 0.10 0.12 0.05 -0.01 0.00 0.03 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.03 -0.00 -0.04 -0.01 0.01 0.01 0.24 0.18 -0.00 0.03 -0.24 -0.26 -0.00 -0.00 0.01 0.01 0.03 0.00 0.03 -0.01 -0.02 0.00 0.01 -0.01 0.01 -0.05 0.04 0.01 -0.01 0.22 0.00 -0.00 0.00 -0.04 -0.01 -0.06 -0.01 0.04 -0.02 -0.02 -0.00 0.00 0.07 -0.17 -0.06 -0.02 0.06 0.03 0.00 0.00 0.01 -0.10 -0.06 -0.08 0.04 0.08 -0.07 0.01 -0.01 -0.01 -0.07 -0.00 -0.04 0.02 0.05 0.04 -0.00 -0.01 -0.02 -0.27 0.10 0.42 -0.00 -0.00 0.00 0.48 0.18 0.08 0.00 -0.04 0.04 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.05 0.07 0.11 0.01 0.11 0.06 0.01 0.01 -0.01 -0.14 -0.09 0.03 0.00 0.00 -0.00 0.02 0.01 -0.00 -0.07 -0.10 0.13 -0.01 -0.02 0.01 0.01 -0.01 0.00 0.05 -0.07 -0.00 0.00 -0.01 -0.00 -0.02 -0.02 0.02 -0.01 -0.01 -0.02 0.32 0.37 0.18 -0.06 -0.01 0.05 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.00 0.03 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.03 0.02 0.01 -0.02 -0.12 -0.15 -0.04 -0.08 0.03 0.07 -0.00 -0.00 0.01 -0.01 0.04 -0.04 0.00 0.01 -0.19 0.01 0.01 -0.00 0.03 0.08 0.21 -0.24 -0.12 -0.09 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 0.01 -0.00 0.35 -0.10 -0.12 -0.14 -0.16 0.29 -0.00 -0.01 0.00 0.01 0.03 -0.08 -0.07 0.00 0.09 -0.00 -0.01 0.01 -0.07 0.08 -0.00 0.01 0.01 -0.03 -0.06 0.24 -0.16 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.10 -0.09 0.03 -0.01 -0.05 -0.03 0.01 0.01 -0.01 -0.11 -0.08 -0.01 -0.00 -0.00 0.00 0.03 -0.00 -0.01 -0.06 -0.10 0.12 0.00 -0.00 0.01 0.01 0.01 -0.01 0.09 0.03 0.09 -0.00 0.00 0.00 0.02 0.00 -0.02 -0.02 -0.01 -0.02 0.48 0.41 0.33 0.01 -0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.09 -0.07 -0.00 -0.05 0.12 -0.00 -0.01 -0.00 0.02 0.08 0.11 0.03 0.04 -0.04 -0.06 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.09 0.00 -0.01 0.00 -0.16 -0.00 -0.23 0.16 0.06 0.06 0.01 0.00 0.00 -0.02 0.04 0.02 0.00 -0.02 -0.01 0.01 -0.00 0.00 -0.24 0.07 0.08 0.10 0.11 -0.21 -0.02 -0.01 0.00 0.08 0.03 -0.07 0.01 0.01 -0.01 0.01 0.01 0.00 0.12 -0.08 -0.11 -0.00 -0.01 0.02 -0.11 -0.16 0.05 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.02 0.25 0.19 0.01 0.23 0.11 0.00 0.01 -0.01 -0.07 -0.03 0.07 0.00 0.01 -0.01 0.03 0.02 -0.01 -0.07 -0.03 0.06 0.00 -0.01 0.03 0.01 -0.01 0.01 0.01 -0.14 -0.08 0.00 -0.01 -0.00 -0.04 -0.05 0.04 0.00 -0.00 0.00 -0.05 -0.05 -0.04 0.06 0.05 0.04 0.00 0.00 -0.01 -0.02 -0.01 -0.01 0.05 0.01 0.08 -0.01 -0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 0.04 -0.02 -0.00 0.01 0.25 0.17 0.06 0.04 -0.02 -0.05 -0.00 -0.01 0.01 -0.02 0.06 -0.02 0.00 0.02 -0.33 -0.01 -0.01 -0.00 0.04 -0.10 -0.15 0.24 0.12 0.09 0.00 -0.00 -0.00 -0.03 0.08 0.01 0.02 0.00 0.01 -0.00 0.01 0.02 -0.10 -0.14 -0.19 0.08 0.01 -0.22 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.06 0.03 -0.04 0.01 -0.02 0.00 -0.00 -0.11 0.21 -0.01 -0.01 0.03 -0.06 0.40 -0.26 -0.04 -0.03 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 -0.00 0.00 -0.02 0.10 0.08 0.12 0.15 0.12 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.10 0.04 0.01 0.00 -0.00 -0.08 -0.06 -0.07 -0.00 -0.00 0.00 0.02 -0.02 0.01 0.00 -0.00 -0.01 -0.11 -0.03 0.13 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.04 0.01 0.07 0.00 -0.00 0.00 -0.05 0.01 -0.09 -0.01 0.02 -0.02 0.01 -0.01 -0.00 -0.40 -0.17 -0.09 0.10 0.03 0.03 -0.00 -0.01 -0.01 -0.02 -0.01 0.10 -0.00 -0.00 -0.04 0.01 0.01 0.01 0.03 0.07 0.18 -0.24 -0.10 -0.09 0.00 -0.00 0.00 -0.02 0.04 0.01 0.00 0.01 0.01 0.02 -0.02 -0.00 -0.44 -0.01 -0.03 0.11 0.48 -0.01 -0.00 0.01 -0.01 0.07 -0.01 0.04 -0.03 -0.04 -0.03 0.01 -0.00 -0.00 0.08 -0.16 0.12 0.01 0.02 -0.03 -0.02 0.03 -0.03 0.13 -0.09 0.04 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.09 -0.06 -0.27 -0.27 -0.23 0.00 0.00 -0.01 -0.00 0.01 0.05 -0.00 0.00 -0.00 0.03 0.04 0.00 -0.12 -0.04 0.08 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.00 -0.06 -0.04 0.01 0.00 0.02 0.18 0.30 -0.19 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.10 0.09 0.07 -0.00 -0.01 0.01 0.07 0.03 0.03 -0.14 -0.01 -0.20 0.00 -0.01 -0.00 -0.06 -0.05 0.01 -0.03 0.08 0.02 0.00 -0.00 -0.01 -0.14 -0.10 -0.04 0.04 0.04 0.05 0.01 0.01 0.02 0.04 0.04 -0.21 0.01 0.01 -0.05 -0.02 0.01 -0.02 0.24 -0.05 0.25 0.24 -0.16 0.21 0.01 -0.00 -0.00 -0.06 0.14 0.04 0.00 -0.02 -0.01 0.01 -0.00 0.00 -0.03 -0.07 -0.10 -0.00 0.11 0.08 -0.01 0.01 0.00 -0.02 0.03 -0.05 0.09 0.06 -0.05 -0.01 0.00 -0.00 0.09 -0.20 0.15 -0.01 -0.02 0.01 -0.03 0.05 -0.04 0.02 -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.01 -0.04 -0.02 0.24 0.16 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 -0.04 -0.01 0.02 -0.01 -0.01 -0.04 -0.00 0.01 -0.00 0.01 0.02 0.02 -0.00 0.00 -0.01 -0.16 -0.21 0.17 -0.00 -0.00 -0.00 0.05 0.04 0.04 0.06 0.05 0.03 0.00 0.01 -0.01 -0.05 -0.02 -0.01 0.10 0.01 0.15 0.00 0.00 0.01 0.02 0.06 -0.07 -0.00 -0.05 -0.09 -0.00 0.00 -0.01 0.01 -0.04 -0.00 0.01 0.04 0.04 -0.01 -0.00 -0.02 -0.03 -0.06 0.19 0.00 -0.01 0.11 -0.03 0.00 -0.03 0.27 -0.07 0.23 0.46 -0.19 0.35 -0.01 0.00 0.00 0.07 -0.16 -0.05 0.01 0.03 0.02 -0.00 0.00 -0.01 0.09 0.03 0.04 -0.05 -0.03 0.12 -0.00 0.00 0.01 -0.08 0.05 -0.10 0.11 0.10 -0.01 -0.01 0.01 -0.00 0.05 -0.05 -0.01 -0.01 -0.04 0.04 0.01 -0.14 0.09 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 -0.09 -0.12 -0.00 0.15 -0.19 -0.02 0.00 0.00 0.00 -0.05 -0.04 -0.01 0.01 0.01 -0.00 -0.37 -0.11 0.09 0.10 0.02 -0.06 0.03 0.12 -0.21 0.00 0.01 -0.01 0.08 0.00 0.05 -0.00 -0.00 0.00 -0.09 0.07 0.11 -0.01 0.00 -0.00 0.06 0.02 0.05 -0.04 -0.04 -0.06 0.00 -0.00 -0.01 0.01 0.00 0.02 0.01 0.01 0.03 -0.01 -0.00 -0.02 0.03 0.08 -0.12 0.26 -0.26 0.63 -0.00 -0.00 -0.00 0.02 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.03 0.03 0.03 0.03 -0.05 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.04 -0.01 0.03 0.01 -0.01 0.00 -0.08 0.18 0.04 -0.02 0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.03 -0.00 0.01 0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.03 -0.02 0.08 0.00 -0.01 0.01 0.05 0.08 -0.03 0.05 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.19 -0.13 0.09 0.07 0.07 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 0.00 0.00 0.10 -0.09 -0.09 -0.04 -0.01 0.03 0.03 0.01 0.12 -0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.01 0.01 -0.01 -0.01 -0.29 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.03 0.03 0.02 0.00 0.01 -0.00 -0.06 -0.02 -0.04 0.06 -0.00 0.08 0.00 -0.01 -0.02 -0.06 -0.24 0.34 -0.07 0.24 0.11 0.00 0.00 0.00 -0.07 -0.04 -0.02 -0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.06 0.10 -0.00 -0.01 0.21 -0.00 0.00 0.00 0.02 -0.00 0.03 -0.05 -0.00 -0.02 0.02 -0.00 -0.00 -0.21 0.48 0.15 -0.03 -0.11 -0.07 0.00 0.00 0.01 0.06 -0.03 -0.04 -0.00 -0.09 -0.03 -0.00 0.00 -0.01 0.01 -0.01 0.01 0.02 0.00 -0.02 -0.00 -0.01 -0.02 -0.06 -0.08 0.25 -0.00 0.00 -0.01 0.21 0.03 0.05 -0.09 0.06 -0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.10 -0.11 0.03 0.06 -0.03 0.01 -0.00 0.01 -0.03 -0.01 0.06 0.23 0.00 -0.00 0.00 -0.07 -0.04 0.01 -0.36 -0.06 0.20 0.01 0.03 -0.03 0.01 0.02 -0.00 0.11 -0.22 -0.08 -0.00 0.00 -0.00 -0.03 -0.04 0.03 0.01 -0.03 -0.00 -0.13 0.04 -0.17 0.38 0.41 0.44 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.02 -0.00 0.00 0.00 -0.00 0.02 -0.04 0.04 -0.04 0.07 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.04 0.03 0.02 0.01 0.03 0.01 -0.00 0.01 -0.04 0.00 -0.04 -0.15 0.06 -0.11 -0.00 -0.00 0.00 0.02 -0.05 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.02 0.08 0.10 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.07 -0.13 -0.01 0.02 -0.06 -0.04 -0.06 0.02 0.01 0.04 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.09 0.24 0.21 -0.17 0.15 -0.00 -0.00 0.00 0.00 -0.03 -0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.21 -0.12 0.05 0.02 -0.03 0.02 -0.03 0.14 -0.00 -0.00 -0.01 0.06 -0.04 0.03 0.00 -0.00 0.00 0.12 -0.04 -0.13 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.02 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.05 -0.01 0.01 -0.01 0.14 -0.07 0.31 0.06 -0.06 0.13 0.01 0.00 0.00 -0.22 -0.09 -0.05 0.03 0.01 0.01 0.01 -0.01 0.00 -0.01 0.07 -0.07 -0.02 -0.02 -0.08 -0.01 0.01 -0.01 0.04 0.03 0.10 0.12 -0.12 0.12 -0.01 0.01 -0.00 0.03 -0.09 -0.01 -0.01 -0.04 -0.02 0.01 -0.01 -0.00 -0.17 0.22 0.30 0.06 0.02 -0.13 0.01 -0.01 0.01 -0.10 0.01 -0.05 -0.01 0.03 0.07 0.01 -0.02 -0.00 -0.20 0.30 -0.12 0.00 0.00 0.02 0.13 0.04 0.02 -0.03 0.17 -0.15 -0.03 -0.02 -0.00 0.00 0.01 0.08 -0.04 0.07 -0.04 0.09 -0.00 -0.03 -0.04 -0.08 -0.02 -0.08 -0.14 -0.01 0.03 0.03 0.03 0.02 0.02 -0.02 -0.16 -0.10 0.06 -0.00 -0.00 0.00 0.01 0.02 0.01 -0.33 -0.23 0.36 -0.05 -0.05 -0.03 0.01 0.02 0.00 0.09 -0.30 -0.15 0.00 -0.00 -0.00 -0.07 0.14 0.08 0.02 0.03 0.00 -0.15 -0.15 -0.09 -0.28 -0.25 -0.20 -0.00 -0.00 -0.00 0.02 0.00 0.02 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.05 -0.04 0.01 -0.03 0.07 -0.03 -0.00 -0.00 -0.00 0.05 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.04 0.02 0.01 0.00 0.07 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.09 -0.01 0.06 0.00 -0.00 0.00 -0.04 0.09 0.03 -0.02 -0.02 -0.02 0.00 -0.01 -0.01 -0.06 0.07 0.09 -0.01 0.11 0.08 0.01 -0.00 0.00 -0.06 -0.00 -0.00 -0.01 0.01 0.04 0.01 -0.01 0.01 -0.10 0.21 -0.19 -0.04 -0.14 0.01 -0.01 0.02 -0.02 0.09 -0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.02 0.00 0.00 0.00 0.01 0.00 0.02 0.05 0.01 -0.02 0.23 0.09 -0.01 -0.01 0.00 0.05 0.04 -0.01 -0.00 0.01 0.01 0.04 0.06 0.02 0.09 0.07 -0.11 -0.14 -0.17 -0.08 -0.01 -0.01 -0.00 -0.03 0.09 0.04 0.01 -0.03 -0.01 -0.17 0.54 0.20 -0.01 -0.01 -0.00 0.03 0.06 0.01 0.10 0.10 0.10 -0.00 -0.02 -0.01 0.09 0.03 0.08 -0.05 0.02 -0.04 0.00 -0.01 -0.01 -0.05 -0.07 0.05 -0.05 0.11 -0.03 -0.01 -0.00 -0.01 0.23 0.09 0.05 -0.02 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 0.04 -0.02 -0.03 0.09 0.00 -0.00 -0.00 -0.03 -0.00 -0.05 0.06 0.02 0.02 0.01 -0.00 0.00 -0.10 0.23 0.08 -0.03 -0.04 -0.04 -0.01 -0.01 -0.01 0.01 0.02 0.03 -0.06 0.15 0.23 0.01 -0.01 0.00 -0.05 0.00 -0.03 -0.04 0.01 0.07 0.01 -0.01 -0.00 -0.17 0.22 -0.06 0.00 0.01 -0.00 0.15 -0.00 0.05 0.20 -0.05 -0.01 -0.06 -0.02 -0.02 0.00 0.02 0.12 -0.04 0.08 -0.04 0.14 0.00 -0.04 -0.08 -0.10 -0.03 0.05 0.18 0.05 -0.06 0.07 0.01 -0.02 -0.02 0.01 0.14 0.09 -0.01 0.00 0.00 -0.00 -0.00 -0.05 -0.03 0.26 0.20 -0.31 0.00 -0.01 0.04 -0.01 -0.02 -0.01 -0.07 0.26 0.14 0.00 -0.00 0.00 0.04 -0.01 -0.04 -0.02 -0.03 -0.01 0.12 0.16 0.07 0.37 0.35 0.29 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.07 0.00 0.08 0.03 -0.06 0.04 0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.05 -0.02 -0.02 -0.02 -0.03 -0.00 0.00 0.01 0.01 -0.02 -0.02 -0.02 0.04 -0.02 -0.00 0.00 -0.00 0.03 -0.08 -0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.03 -0.00 -0.00 -0.01 -0.03 0.02 -0.01 0.00 -0.00 0.04 0.01 -0.00 0.03 0.01 -0.04 -0.00 0.01 -0.01 0.06 -0.16 0.17 -0.09 -0.21 -0.09 0.05 -0.03 0.04 -0.01 0.03 -0.03 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.09 -0.04 -0.10 0.10 -0.26 -0.08 -0.01 -0.01 0.01 0.06 0.04 -0.02 -0.00 -0.01 -0.00 0.03 0.15 0.07 0.10 0.07 -0.11 0.05 0.09 -0.05 -0.00 -0.01 0.01 -0.08 0.09 0.01 -0.01 0.02 0.01 0.04 -0.26 -0.05 -0.00 -0.01 -0.00 0.01 0.05 -0.01 0.06 0.08 0.10 0.00 0.01 0.00 -0.04 -0.01 -0.03 0.03 -0.01 0.03 0.01 -0.01 0.01 -0.11 0.03 -0.21 -0.05 0.07 -0.09 0.00 -0.00 0.00 -0.08 -0.03 -0.02 0.03 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.02 0.03 -0.09 -0.00 0.00 -0.01 -0.02 0.03 0.02 0.12 -0.09 0.10 0.01 -0.01 0.00 -0.09 0.21 0.06 -0.04 -0.00 -0.02 0.00 -0.00 0.01 -0.10 -0.10 -0.14 0.06 0.09 -0.12 0.01 -0.01 0.01 -0.10 0.01 -0.06 -0.11 -0.00 0.14 0.02 -0.02 0.02 -0.23 0.44 -0.30 -0.01 -0.03 -0.00 -0.02 0.16 -0.10 -0.05 -0.12 0.13 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.03 0.11 0.09 -0.07 -0.10 -0.07 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.02 -0.00 -0.01 -0.01 0.01 -0.06 -0.07 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.00 0.03 0.02 0.19 -0.43 -0.20 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.06 -0.02 -0.06 0.03 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.02 -0.02 0.05 -0.01 -0.01 -0.01 0.34 0.12 0.07 -0.02 0.00 0.01 0.00 -0.00 0.01 0.00 0.03 -0.04 0.00 0.01 -0.09 0.00 -0.00 0.00 -0.02 -0.02 -0.06 0.01 0.06 -0.02 0.00 -0.00 0.00 -0.02 0.04 0.01 -0.01 -0.00 -0.00 0.01 -0.02 -0.02 -0.03 0.06 0.10 -0.11 0.39 0.54 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.03 0.06 0.00 -0.00 -0.00 0.07 -0.05 0.06 0.18 -0.03 -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 -0.20 -0.18 0.19 -0.26 -0.05 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.01 0.01 0.01 0.02 -0.07 -0.05 0.05 0.03 -0.05 -0.03 0.00 -0.04 0.01 -0.00 0.01 -0.06 0.02 -0.03 -0.00 0.01 -0.01 -0.11 0.05 0.12 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.02 0.02 0.02 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.02 -0.00 0.00 -0.03 0.20 -0.18 0.57 0.00 0.02 0.01 -0.00 -0.00 -0.00 0.07 0.03 0.01 0.01 0.00 0.00 -0.01 0.01 0.00 0.01 -0.04 0.03 0.02 0.03 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.01 0.02 -0.01 0.12 -0.29 -0.07 0.04 -0.04 0.00 0.00 -0.01 0.00 -0.07 -0.07 -0.09 0.00 0.20 0.12 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 -0.01 0.02 0.00 -0.00 0.02 0.05 0.01 -0.11 -0.00 -0.00 -0.00 -0.23 0.22 -0.22 0.06 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 0.04 -0.33 -0.23 -0.31 0.48 0.11 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.02 0.01 -0.01 -0.03 0.07 0.03 -0.06 -0.04 -0.12 0.12 0.00 0.01 0.01 -0.00 -0.05 -0.05 0.01 -0.01 0.01 0.17 -0.09 -0.19 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.01 0.02 -0.00 0.00 0.01 -0.01 -0.00 -0.02 -0.02 -0.01 -0.03 -0.01 0.00 -0.00 0.02 0.08 -0.11 0.11 -0.15 0.22 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.03 0.00 -0.04 -0.06 0.35 0.00 0.00 -0.00 -0.02 0.01 -0.01 0.02 -0.01 0.02 -0.00 -0.00 0.00 0.03 -0.07 -0.02 0.01 0.02 0.02 0.00 -0.00 0.01 -0.04 -0.12 -0.17 0.02 0.11 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.05 -0.02 0.04 0.00 0.00 0.02 0.03 0.04 -0.12 -0.00 -0.01 -0.00 -0.16 0.13 -0.14 0.01 -0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.08 -0.15 -0.15 0.03 -0.03 -0.01 -0.01 0.00 0.01 -0.03 -0.02 -0.02 -0.00 -0.01 0.01 -0.02 -0.09 -0.03 0.18 0.08 -0.14 -0.01 -0.03 0.01 0.00 0.00 0.02 -0.05 -0.17 -0.15 -0.00 0.00 -0.00 -0.02 -0.00 0.02 -0.01 -0.00 0.00 0.07 0.02 0.06 0.05 0.02 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.02 -0.10 0.05 -0.22 -0.07 0.07 -0.19 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.03 0.01 0.01 0.01 0.03 -0.01 -0.00 0.01 0.09 -0.06 0.04 -0.09 0.07 -0.07 0.00 -0.00 0.00 -0.02 0.06 0.01 -0.00 0.02 0.01 0.00 -0.01 -0.01 -0.04 0.30 0.41 -0.02 -0.07 0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.02 0.33 0.13 -0.23 0.00 -0.02 -0.00 -0.02 -0.01 0.04 -0.00 0.00 -0.01 -0.10 0.32 -0.24 0.07 0.13 -0.16 0.02 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.02 0.03 0.03 -0.03 0.03 0.01 0.00 -0.01 -0.01 0.04 0.02 -0.01 0.00 0.01 -0.01 0.01 0.05 0.02 -0.15 -0.06 0.11 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.26 0.18 0.00 -0.00 0.00 0.02 -0.01 -0.02 -0.00 0.00 0.01 0.03 -0.02 0.04 0.04 -0.01 -0.07 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.05 -0.01 0.08 0.04 -0.04 0.10 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.02 0.16 -0.10 0.06 -0.14 0.11 -0.11 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.13 -0.18 0.02 0.06 -0.02 -0.02 -0.01 0.01 -0.03 -0.03 0.03 0.59 0.23 -0.40 0.01 -0.00 0.01 -0.11 0.23 -0.17 0.00 0.06 0.01 0.03 -0.05 0.05 -0.02 -0.07 0.08 0.29 -0.12 -0.14 -0.01 0.02 0.07 -0.05 0.07 -0.02 -0.10 0.01 0.03 -0.01 -0.08 -0.02 -0.00 -0.06 -0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.05 0.04 0.02 -0.00 -0.00 0.00 -0.04 -0.07 -0.02 -0.16 -0.05 0.10 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.29 0.21 -0.00 0.00 0.00 0.01 -0.02 -0.02 0.00 0.00 -0.01 -0.03 -0.02 -0.02 0.07 0.07 0.07 0.00 0.00 -0.00 -0.02 -0.01 0.00 0.01 -0.01 0.01 0.00 0.00 0.01 -0.02 0.03 -0.08 -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 0.01 0.04 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.01 -0.01 0.02 -0.00 0.01 -0.01 -0.01 0.01 -0.03 0.15 -0.06 0.11 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.02 0.10 0.14 -0.01 -0.01 0.03 0.01 0.00 -0.00 -0.00 0.01 -0.02 -0.19 -0.07 0.13 0.00 -0.01 -0.00 0.01 -0.06 0.09 0.02 0.63 0.20 -0.04 0.17 -0.13 0.04 0.07 -0.09 -0.07 0.03 0.03 0.00 -0.00 -0.02 0.01 -0.02 0.01 0.02 -0.00 -0.01 0.00 0.02 0.00 0.05 -0.05 -0.07 -0.02 0.02 0.01 0.01 -0.02 -0.02 0.13 0.07 -0.03 0.00 -0.00 0.00 -0.06 -0.09 -0.02 -0.32 -0.13 0.23 -0.01 -0.03 0.00 0.00 -0.02 -0.01 -0.09 0.60 0.37 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.06 -0.03 -0.06 -0.06 -0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 0.05 -0.10 -0.01 -0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.02 -0.02 0.05 0.00 0.00 -0.00 -0.04 0.02 -0.01 0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.02 0.12 0.16 -0.01 -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.12 -0.05 0.08 0.00 -0.01 -0.00 -0.01 -0.05 0.11 -0.00 -0.15 -0.04 -0.06 0.25 -0.19 0.05 0.09 -0.11 0.17 -0.30 0.79 0.00 -0.01 -0.21 -0.09 0.17 -0.12 0.01 0.01 -0.05 -0.01 -0.03 -0.07 0.01 0.02 -0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.00 0.09 0.03 -0.12 -0.00 0.00 0.00 0.00 0.01 0.00 0.06 -0.02 -0.00 -0.02 -0.03 -0.01 -0.00 -0.00 0.00 0.01 0.02 0.02 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.09 0.08 0.06 0.01 0.01 -0.00 0.03 0.02 -0.02 -0.03 -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 0.09 0.03 0.02 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.03 -0.02 -0.06 0.06 0.04 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.27 -0.00 0.00 0.00 0.00 0.04 -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 0.01 -0.12 -0.06 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 0.02 0.04 0.02 0.00 0.00 -0.00 -0.40 -0.52 -0.12 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.03 0.01 0.04 -0.16 -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 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.02 0.01 -0.01 0.02 0.00 0.00 0.00 -0.06 -0.02 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.08 -0.07 -0.09 0.03 -0.22 -0.27 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 -0.03 0.03 0.56 -0.00 -0.19 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 -0.01 0.01 -0.03 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.38 0.48 0.11 -0.01 -0.00 0.01 -0.07 -0.11 0.01 0.00 0.00 -0.00 0.01 0.03 0.03 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 0.00 0.00 0.00 -0.02 -0.01 -0.02 0.08 -0.00 0.11 0.10 -0.11 0.27 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.01 0.01 0.00 0.00 0.00 0.01 -0.03 0.01 0.27 0.34 -0.03 -0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.04 0.05 0.00 0.00 0.00 -0.02 0.08 -0.06 -0.06 -0.35 0.35 -0.00 -0.00 -0.00 -0.00 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 0.17 -0.22 -0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.45 -0.19 -0.30 -0.00 -0.00 0.00 -0.04 -0.27 0.51 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 0.02 -0.02 -0.14 0.10 0.13 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.02 0.01 0.01 -0.04 0.13 -0.24 0.08 -0.13 0.17 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 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 -0.00 0.01 -0.00 -0.01 0.02 0.01 0.01 -0.01 0.01 -0.02 -0.07 -0.09 0.00 0.09 0.06 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.02 0.02 -0.16 0.14 -0.07 0.23 0.75 0.21 -0.00 -0.04 -0.05 0.03 -0.08 0.02 -0.03 -0.03 -0.00 -0.14 -0.35 -0.11 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.02 0.00 -0.03 -0.00 0.00 0.00 0.02 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.03 0.02 -0.02 0.02 -0.01 -0.00 -0.01 0.00 -0.03 -0.02 0.02 0.03 0.02 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 0.00 0.02 0.00 -0.07 0.03 0.02 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.11 0.35 0.15 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.20 -0.01 0.01 0.01 0.00 0.00 0.02 -0.00 0.00 0.03 -0.00 -0.01 0.06 -0.05 -0.02 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 0.01 -0.02 0.01 0.03 0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -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 -0.00 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 0.04 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.10 0.92 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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.04 0.02 0.49 0.26 -0.06 -0.00 -0.00 0.00 0.27 0.46 -0.11 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 0.03 0.03 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.03 -0.02 0.04 -0.04 0.11 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 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 0.04 -0.05 -0.06 0.02 0.01 -0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.42 0.20 -0.37 -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 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.03 0.01 -0.01 0.02 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.06 -0.02 -0.23 0.66 -0.17 -0.22 0.23 0.55 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 0.06 0.08 0.05 0.11 -0.02 -0.00 0.00 -0.00 -0.01 -0.01 0.05 0.04 0.01 0.03 0.00 0.00 -0.00 -0.02 -0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.01 0.07 -0.04 0.08 0.01 0.10 0.08 0.00 0.00 -0.00 -0.02 0.01 0.02 0.00 0.00 0.00 -0.03 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 0.02 -0.02 0.00 0.03 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.03 0.02 -0.01 -0.01 0.04 0.02 -0.00 0.01 0.00 0.03 -0.10 0.03 0.03 -0.04 -0.09 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.01 -0.02 0.00 -0.06 -0.17 -0.16 0.60 0.45 0.14 0.31 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 0.16 -0.09 0.19 0.04 0.26 0.21 0.01 0.00 -0.01 -0.11 0.07 0.11 -0.00 -0.00 0.00 -0.14 -0.09 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.05 0.04 -0.04 0.01 0.06 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.02 -0.02 0.01 0.01 -0.03 -0.01 -0.00 0.01 0.00 0.03 -0.10 0.02 0.03 -0.03 -0.08 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.02 0.04 0.04 0.03 0.01 0.01 -0.00 0.03 0.10 0.09 -0.33 -0.24 -0.08 -0.17 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.02 -0.05 0.33 -0.19 0.38 0.07 0.52 0.42 0.01 0.00 0.00 -0.02 0.01 0.02 -0.00 -0.00 0.00 -0.05 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.10 -0.00 -0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.05 -0.04 0.07 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.06 -0.02 -0.02 -0.54 -0.26 0.29 -0.45 0.56 0.08 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.01 -0.01 0.01 0.03 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.31 -0.18 0.19 0.03 -0.00 0.01 0.01 -0.00 0.01 -0.02 -0.03 -0.07 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.06 0.07 -0.04 -0.00 -0.00 0.00 0.04 0.01 0.00 -0.37 0.12 -0.25 -0.00 -0.00 0.00 0.02 0.01 -0.02 -0.00 -0.00 0.00 -0.02 0.04 -0.03 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 -0.01 -0.00 0.09 0.07 -0.02 -0.03 0.09 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.05 -0.01 -0.19 0.49 0.05 0.43 0.30 0.11 -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 -0.03 -0.02 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.04 0.02 0.05 -0.00 0.00 -0.00 -0.05 -0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 0.03 -0.05 0.01 -0.00 0.00 -0.03 0.01 -0.03 0.16 0.18 0.28 0.00 0.00 -0.00 -0.01 0.00 0.00 0.31 -0.28 0.15 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.07 -0.03 0.05 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.02 -0.03 0.12 -0.29 0.23 -0.23 0.02 0.29 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.04 0.03 -0.01 -0.02 0.04 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.00 -0.08 0.20 0.02 0.17 0.12 0.05 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.01 -0.02 0.00 -0.00 0.00 -0.01 -0.02 -0.02 0.06 0.04 0.02 0.03 -0.01 -0.01 0.00 0.10 0.01 0.03 0.03 0.08 -0.05 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.03 -0.00 0.01 0.19 -0.11 -0.25 0.00 -0.01 0.00 0.29 0.17 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.00 0.02 -0.02 -0.00 -0.01 0.02 -0.00 0.02 -0.11 -0.12 -0.18 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.20 0.18 -0.09 0.00 -0.01 0.02 0.00 -0.00 -0.00 -0.04 0.02 -0.01 0.00 0.00 -0.00 -0.02 -0.01 0.02 -0.00 -0.01 0.02 -0.07 0.17 -0.14 0.14 -0.01 -0.17 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.02 -0.00 0.14 0.10 -0.03 -0.05 0.15 0.05 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 0.02 -0.05 -0.01 -0.04 -0.03 -0.01 -0.00 -0.01 -0.00 -0.03 0.05 0.06 0.04 0.07 -0.01 -0.00 0.00 -0.01 -0.03 -0.03 0.08 0.06 0.02 0.04 -0.01 -0.01 0.00 0.19 0.02 0.05 0.06 0.16 -0.10 -0.01 -0.00 -0.01 0.08 -0.03 0.07 0.00 0.10 0.09 -0.05 -0.01 0.02 0.30 -0.17 -0.39 -0.00 0.01 0.00 0.45 0.26 0.06 -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 0.31 0.13 -0.21 0.18 0.00 0.08 0.01 0.00 0.00 -0.06 -0.05 -0.05 -0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.08 0.06 -0.02 -0.00 0.01 0.01 -0.04 -0.00 0.00 0.36 -0.14 0.23 -0.02 -0.00 0.00 0.12 0.07 -0.14 -0.00 -0.01 0.02 -0.06 0.15 -0.12 0.12 -0.01 -0.16 0.00 -0.00 -0.00 -0.03 -0.01 0.02 -0.03 0.03 -0.00 0.01 0.03 0.00 -0.23 -0.18 0.04 0.08 -0.25 -0.08 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.01 -0.14 0.33 0.04 0.30 0.21 0.07 -0.00 -0.01 -0.00 -0.02 0.04 0.05 0.03 0.06 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.04 0.02 -0.00 0.01 0.00 0.00 -0.00 -0.02 0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.02 0.02 -0.00 -0.00 0.00 0.01 -0.01 -0.02 0.00 0.01 0.00 0.02 0.02 -0.00 0.03 -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 -0.10 -0.04 0.07 0.59 0.03 0.28 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.04 -0.04 -0.02 0.01 -0.00 -0.00 -0.02 -0.00 0.08 0.01 0.00 -0.00 -0.12 0.05 -0.07 -0.06 -0.01 0.01 0.38 0.25 -0.46 0.00 0.00 -0.01 0.02 -0.05 0.04 -0.04 0.01 0.05 0.01 -0.00 -0.00 -0.07 -0.04 0.04 -0.08 0.08 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.05 -0.15 0.01 -0.11 -0.08 -0.05 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.06 0.01 0.02 0.02 0.04 -0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.01 0.00 0.07 -0.08 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.03 0.00 0.02 -0.01 0.00 -0.01 0.06 0.06 0.10 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.11 -0.10 0.05 -0.01 -0.01 -0.03 0.00 -0.00 -0.00 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.02 0.01 -0.03 -0.00 -0.00 0.01 -0.02 0.05 -0.03 0.03 -0.01 -0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.11 0.08 -0.02 -0.04 0.11 0.04 -0.00 0.01 -0.00 0.01 -0.12 0.02 0.03 -0.03 -0.07 0.00 0.00 0.00 0.01 -0.02 -0.00 -0.02 -0.01 -0.01 -0.00 -0.05 -0.02 -0.21 0.33 0.44 0.24 0.54 -0.10 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.02 0.01 -0.00 -0.28 -0.02 -0.07 -0.08 -0.23 0.14 0.00 0.00 0.00 -0.02 0.01 -0.03 -0.01 -0.05 -0.04 -0.00 -0.00 0.00 0.01 -0.00 -0.03 -0.00 0.00 0.01 0.02 0.01 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 -0.07 -0.03 0.05 -0.05 -0.01 -0.03 -0.01 0.00 -0.01 0.05 0.05 0.07 -0.00 0.00 -0.00 -0.03 0.01 0.01 0.08 -0.07 0.04 0.02 0.01 0.06 0.01 0.00 0.00 -0.08 0.03 -0.05 0.01 0.00 -0.00 -0.04 -0.02 0.05 -0.00 -0.00 0.00 -0.01 0.03 -0.02 0.02 -0.01 -0.04 -0.00 0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 0.00 0.01 0.02 0.00 -0.17 -0.13 0.03 0.06 -0.18 -0.07 -0.00 0.00 0.00 -0.02 -0.04 0.00 0.03 -0.01 -0.03 0.00 0.00 0.00 0.01 -0.02 -0.00 -0.02 -0.02 -0.00 -0.00 -0.02 -0.01 -0.10 0.16 0.21 0.11 0.26 -0.05 0.00 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.01 -0.01 -0.04 -0.03 0.01 0.55 0.05 0.13 0.17 0.45 -0.27 0.00 0.00 0.00 -0.03 0.02 -0.03 -0.01 -0.05 -0.04 0.01 0.00 -0.01 -0.08 0.03 0.13 -0.00 0.00 0.00 -0.12 -0.08 -0.01 0.01 -0.04 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.14 0.06 -0.09 0.05 -0.00 0.02 -0.02 0.00 -0.02 0.10 0.11 0.19 0.00 -0.00 -0.00 -0.03 0.01 0.02 0.20 -0.19 0.11 -0.01 -0.02 0.02 -0.02 -0.00 0.00 0.15 -0.07 0.09 -0.00 -0.00 0.00 0.03 0.02 -0.04 -0.01 -0.01 0.03 -0.09 0.24 -0.18 0.17 -0.04 -0.27 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.04 -0.01 0.37 0.28 -0.07 -0.14 0.40 0.15 0.00 -0.00 0.00 -0.01 0.03 -0.00 -0.00 0.01 0.02 -0.00 -0.00 -0.00 -0.02 0.04 0.01 0.04 0.03 0.01 -0.00 0.01 0.00 0.04 -0.06 -0.08 -0.04 -0.11 0.02 -0.00 -0.00 0.01 0.03 -0.00 -0.07 -0.05 -0.00 -0.02 -0.01 -0.01 0.00 0.15 0.01 0.03 0.05 0.13 -0.07 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.02 0.02 0.01 0.00 -0.01 -0.09 0.05 0.13 0.00 0.01 -0.00 -0.15 -0.08 -0.02 -0.03 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.17 0.07 -0.11 0.02 -0.00 0.01 0.02 -0.00 0.02 -0.16 -0.17 -0.24 0.00 -0.00 -0.00 -0.02 0.01 0.02 -0.28 0.26 -0.13 -0.00 -0.01 0.02 -0.02 -0.00 -0.00 0.19 -0.08 0.12 -0.00 -0.00 0.00 0.01 0.01 -0.02 0.01 0.01 -0.03 0.11 -0.28 0.21 -0.20 0.04 0.32 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.03 -0.00 0.24 0.19 -0.04 -0.10 0.26 0.10 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.03 0.07 0.01 0.06 0.04 0.01 0.00 -0.01 -0.00 -0.05 0.08 0.10 0.05 0.13 -0.03 -0.00 -0.00 0.00 0.02 0.00 -0.05 -0.03 -0.00 -0.02 -0.01 -0.01 0.00 0.14 0.01 0.03 0.04 0.11 -0.06 0.00 0.00 0.00 -0.04 0.02 -0.04 0.01 -0.06 -0.06 0.01 0.00 -0.01 -0.08 0.04 0.12 0.00 -0.01 0.00 -0.13 -0.07 -0.02 -0.02 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.03 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.03 -0.28 -0.09 -0.02 0.00 -0.00 0.00 0.25 0.19 0.59 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.09 0.01 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 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.02 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 0.00 -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 0.01 -0.00 -0.05 0.02 0.02 -0.02 -0.10 -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 0.50 -0.40 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 -0.00 0.00 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.03 -0.02 -0.26 0.55 0.40 -0.00 0.00 -0.00 0.07 -0.19 0.41 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.06 0.07 0.01 -0.03 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.04 -0.04 -0.00 0.01 0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.15 0.31 -0.33 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.07 0.05 0.02 -0.02 0.02 0.00 0.00 -0.00 0.61 -0.41 -0.19 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.06 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.04 0.02 -0.04 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 -0.17 -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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.06 0.01 -0.06 0.18 -0.28 0.50 0.00 -0.00 -0.00 0.41 -0.26 -0.08 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 -0.03 -0.02 -0.04 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.04 -0.02 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.19 0.40 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 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.03 -0.03 0.28 -0.34 0.64 -0.00 -0.00 -0.00 -0.33 0.24 0.09 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.04 -0.02 -0.04 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.01 -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 -0.12 -0.30 -0.34 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.03 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 0.02 0.05 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.06 0.03 0.05 -0.03 -0.08 -0.00 -0.00 -0.00 0.02 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.10 -0.07 -0.01 -0.00 -0.00 -0.04 0.03 -0.04 -0.01 0.08 0.02 0.57 -0.55 0.53 -0.01 -0.01 -0.00 0.14 0.12 0.06 0.00 -0.00 -0.00 0.01 -0.02 -0.03 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.03 -0.05 -0.01 -0.01 0.01 0.01 0.02 0.02 -0.03 0.06 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.13 -0.35 -0.35 0.00 -0.00 -0.00 0.03 0.02 -0.03 -0.43 -0.38 0.51 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.02 -0.04 -0.03 0.06 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 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 -0.02 0.00 -0.00 0.00 0.00 -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 0.01 -0.01 -0.01 -0.23 0.16 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.06 -0.06 0.06 0.01 -0.00 -0.01 -0.03 -0.03 -0.02 -0.00 0.00 0.00 -0.06 0.08 0.14 0.01 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.06 -0.16 -0.16 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.12 -0.11 0.15 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 -0.02 -0.04 -0.02 0.03 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.04 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.04 -0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.04 0.03 0.03 0.72 -0.51 0.04 -0.02 0.03 0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.08 0.08 -0.08 -0.01 -0.00 0.00 0.17 0.15 0.08 -0.00 0.00 0.00 0.04 -0.07 -0.11 -0.02 -0.05 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.20 -0.24 0.53 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.07 0.17 0.16 0.06 -0.04 -0.02 0.01 0.00 -0.01 -0.09 -0.08 0.10 0.05 0.01 -0.00 -0.53 0.01 -0.49 0.00 0.00 -0.00 -0.03 0.01 0.03 0.02 -0.04 0.02 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.03 -0.03 0.02 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.02 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.01 0.03 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.04 0.06 0.07 -0.15 -0.01 -0.03 -0.03 0.01 -0.03 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.20 0.51 0.50 -0.02 0.01 0.01 0.02 0.01 -0.02 -0.30 -0.25 0.34 -0.02 -0.00 -0.00 0.18 -0.00 0.17 0.00 0.01 -0.01 -0.09 0.04 0.09 0.07 -0.12 0.05 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.03 -0.04 -0.03 -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 0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.02 0.00 0.00 0.00 -0.05 -0.02 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.08 -0.06 0.02 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.04 -0.03 -0.02 0.00 -0.00 -0.00 -0.04 0.05 0.09 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 0.02 -0.03 0.05 0.02 0.06 0.05 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.03 0.05 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.04 -0.02 -0.49 0.68 0.37 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 0.24 0.08 0.08 -0.03 -0.02 0.04 0.00 0.00 -0.00 -0.00 -0.04 0.03 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.03 -0.03 -0.01 -0.01 -0.00 0.17 0.14 0.07 0.00 -0.00 0.00 0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.27 -0.30 0.64 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.02 -0.07 0.48 0.00 0.42 0.00 -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 0.03 0.03 -0.02 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 -0.02 -0.01 0.04 -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.02 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.02 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.07 -0.03 -0.06 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 0.02 0.01 0.16 -0.23 -0.13 -0.08 -0.03 0.02 0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.02 -0.01 -0.00 -0.01 0.19 0.07 0.07 -0.01 -0.01 0.01 0.02 0.01 -0.00 -0.01 -0.20 0.15 -0.26 0.05 -0.10 0.01 -0.00 0.00 0.01 0.00 0.01 -0.08 0.08 -0.07 -0.04 -0.03 -0.01 0.57 0.49 0.26 -0.00 0.00 0.00 0.05 -0.10 -0.15 0.01 0.02 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.02 -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 0.04 -0.06 -0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.09 0.01 -0.03 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.04 -0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.08 0.03 0.03 -0.01 -0.00 0.00 -0.05 0.02 -0.02 -0.03 -0.08 0.06 0.88 -0.17 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.17 0.14 0.08 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.03 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.03 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.06 -0.02 -0.05 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.01 0.01 -0.02 0.01 0.01 0.52 0.21 -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 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 -0.18 -0.06 -0.06 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 0.05 -0.04 -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.02 0.00 -0.03 -0.04 0.20 0.17 0.08 -0.00 0.00 0.00 -0.25 0.34 0.59 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 0.14 0.14 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.04 0.03 0.21 -0.10 -0.18 -0.41 0.68 -0.32 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.01 0.01 -0.07 -0.03 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.02 -0.04 -0.04 0.03 0.18 -0.12 -0.29 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 0.02 -0.01 0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.06 -0.03 0.06 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 -0.02 0.03 0.01 0.02 0.02 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.11 -0.10 0.14 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.04 0.02 0.04 -0.04 0.06 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.01 0.01 0.05 -0.10 -0.05 0.70 0.29 -0.18 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.05 -0.06 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.04 -0.01 -0.00 -0.01 0.20 0.07 0.07 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.03 -0.10 -0.08 -0.04 -0.00 0.00 -0.00 0.17 -0.23 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.08 0.03 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 0.01 0.00 0.09 -0.12 -0.07 -0.07 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 -0.02 -0.02 0.01 0.05 -0.03 -0.09 -0.04 -0.01 -0.02 0.77 0.28 0.27 -0.07 -0.04 0.08 0.00 -0.01 0.01 0.01 0.12 -0.09 -0.03 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.11 -0.11 -0.06 0.00 -0.00 -0.00 -0.12 0.18 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 0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.06 0.06 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.02 0.32 -0.13 -0.30 -0.09 0.15 -0.06 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.03 -0.04 0.12 0.15 -0.09 -0.39 0.26 0.65 -0.01 -0.00 -0.00 0.12 0.04 0.04 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.02 -0.02 -0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.09 -0.09 0.08 0.01 0.00 0.00 -0.08 -0.07 -0.04 -0.03 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 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.03 0.03 0.00 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 -0.05 0.04 0.02 0.55 -0.21 -0.54 0.19 -0.34 0.18 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.08 -0.11 0.06 0.17 -0.11 -0.29 -0.00 -0.00 -0.00 0.05 0.02 0.02 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 0.02 -0.02 0.03 0.00 0.01 0.00 -0.08 -0.07 -0.04 0.03 -0.00 -0.00 0.01 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.02 0.02 -0.04 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.08 0.03 0.27 -0.02 0.08 -0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.04 0.03 0.47 0.71 -0.34 0.11 -0.10 -0.19 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.03 -0.03 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 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 0.18 -0.12 0.21 -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 -0.01 0.01 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 0.06 0.05 -0.04 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.02 -0.01 -0.04 -0.22 0.10 0.81 -0.03 0.14 -0.10 0.00 -0.01 -0.00 0.09 0.03 0.02 -0.14 0.17 0.01 0.01 0.01 -0.01 -0.14 -0.21 0.10 -0.03 0.03 0.05 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.09 -0.02 0.03 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 -0.01 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 0.10 -0.07 0.11 -0.03 -0.03 0.07 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 0.01 -0.01 -0.03 -0.02 0.03 0.00 0.00 -0.01 0.02 0.00 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 -0.02 0.06 -0.00 -0.16 -0.15 0.10 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 0.01 -0.01 -0.00 0.00 0.01 0.07 -0.03 -0.24 0.01 -0.04 0.03 0.01 -0.05 -0.01 0.37 0.11 0.07 -0.50 0.64 0.03 -0.00 -0.00 0.00 0.03 0.05 -0.02 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 0.02 -0.04 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.05 0.00 -0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.04 -0.02 0.02 0.08 -0.23 0.01 0.60 0.58 -0.39 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 -0.00 -0.00 0.00 0.01 0.03 -0.01 -0.12 0.01 -0.03 0.02 0.00 -0.01 -0.00 0.09 0.03 0.02 -0.13 0.17 0.01 -0.00 -0.00 0.00 0.02 0.03 -0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.02 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 0.55 -0.37 0.63 0.01 0.01 -0.02 0.00 -0.00 0.00 -0.02 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.03 0.02 -0.04 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 0.05 0.05 -0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.07 -0.03 0.02 -0.00 0.01 0.01 0.06 -0.03 -0.24 0.01 -0.06 0.04 0.01 0.01 0.00 -0.20 -0.07 -0.04 0.08 -0.11 -0.01 -0.00 -0.00 0.00 0.02 0.04 -0.02 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.03 0.04 0.07 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.07 -0.04 0.08 -0.01 -0.01 0.02 0.01 -0.01 0.00 -0.14 0.19 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.00 -0.01 0.01 -0.07 0.00 -0.01 0.79 0.29 0.16 0.24 -0.36 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.02 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.02 -0.04 0.00 0.00 -0.00 0.03 -0.05 0.01 -0.56 0.78 -0.14 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 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 0.01 -0.00 0.01 -0.00 0.02 -0.00 0.00 -0.19 -0.07 -0.04 -0.05 0.07 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 -0.00 -0.01 -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 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 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 -0.05 0.04 0.06 -0.05 -0.19 -0.22 0.83 -0.47 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -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 -0.06 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.01 0.00 -0.01 0.00 -0.06 0.13 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 0.01 0.01 -0.03 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 -0.01 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.98 -0.01 -0.10 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 0.02 -0.05 -0.09 -0.03 -0.06 -0.49 -0.34 0.79 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.06 0.01 -0.39 0.87 0.01 0.17 0.13 -0.10 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.14 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.06 -0.02 -0.06 0.89 0.44 -0.04 0.01 -0.05 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 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 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 11.00931 18.99840 18.99840 18.99840 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 338.16299 0.99962 0.02586 0.00922 -0.02583 0.99966 -0.00273 -0.00929 0.00249 0.99995 asymmetric 1 0.01138 0.00949 0.00820 0.23708 0.19783 0.17088 1011754.5 21.40 47.82 57.95 67.42 73.98 80.24 86.96 88.31 91.14 96.39 105.84 113.07 120.03 120.99 128.19 151.89 157.27 171.78 191.25 195.73 210.73 225.05 232.42 238.51 241.38 250.86 257.76 266.77 267.15 277.20 287.04 301.75 313.51 326.49 340.88 345.71 366.72 371.22 382.53 389.23 415.51 417.93 430.72 438.83 457.76 460.23 471.95 487.08 494.44 503.56 519.03 547.01 558.92 607.92 645.31 655.77 674.07 705.52 712.90 722.80 733.21 744.48 759.33 782.36 791.87 828.13 868.67 872.24 887.74 903.47 948.58 970.32 976.08 993.35 1000.82 1003.55 1032.84 1058.25 1061.43 1069.35 1087.79 1127.48 1150.04 1159.50 1218.58 1233.42 1251.28 1257.23 1340.19 1371.66 1446.00 1490.98 1519.52 1619.27 1914.19 2295.48 2300.94 2307.12 2321.83 2356.14 2367.29 2368.58 2375.01 2380.06 2387.95 2390.50 2394.96 2398.28 2495.90 2544.10 3462.42 3583.52 3917.02 4756.53 4809.31 4826.65 4898.24 4899.99 4922.65 4928.92 4962.66 4979.76 5031.44 5066.98 5084.26 5108.81 5117.91 5132.66 5206.52 5279.54 5292.38 5297.60 5328.41 5384.30 5411.00 5497.62 5506.65 5508.81 5511.68 5512.83 0.385357 0.425488 0.426432 0.313620 -1471.558901 -1471.518771 -1471.517827 -1471.630638 266.997 139.098 237.432 0.000 0.000 0.000 0.889 2.981 43.350 0.889 2.981 34.949 265.220 133.136 159.133 1 0.593 1.986 7.222 2 0.594 1.983 5.626 3 0.594 1.981 5.245 4 0.595 1.979 4.946 5 0.596 1.977 4.762 6 0.596 1.975 4.602 7 0.597 1.973 4.443 8 0.597 1.973 4.412 9 0.597 1.972 4.350 10 0.598 1.970 4.240 11 0.599 1.966 4.056 12 0.600 1.964 3.926 13 0.600 1.961 3.809 14 0.601 1.960 3.793 15 0.602 1.957 3.680 16 0.605 1.945 3.349 17 0.606 1.942 3.281 18 0.609 1.933 3.110 19 0.613 1.920 2.903 20 0.614 1.917 2.859 21 0.617 1.907 2.718 22 0.620 1.895 2.593 23 0.622 1.890 2.532 24 0.624 1.885 2.483 25 0.624 1.882 2.460 26 0.627 1.874 2.388 27 0.629 1.868 2.337 28 0.631 1.860 2.273 29 0.632 1.859 2.271 30 0.635 1.850 2.202 31 0.638 1.841 2.138 32 0.642 1.826 2.046 33 0.646 1.814 1.976 34 0.651 1.800 1.903 35 0.656 1.784 1.826 36 0.657 1.779 1.801 37 0.665 1.755 1.697 38 0.667 1.749 1.675 39 0.672 1.736 1.623 40 0.674 1.727 1.593 41 0.685 1.695 1.481 42 0.686 1.691 1.471 43 0.692 1.675 1.420 44 0.696 1.664 1.389 45 0.705 1.639 1.320 46 0.706 1.636 1.311 47 0.711 1.620 1.270 48 0.719 1.599 1.219 49 0.722 1.588 1.195 50 0.727 1.575 1.166 51 0.735 1.553 1.119 52 0.750 1.512 1.038 53 0.757 1.495 1.006 54 0.785 1.421 0.883 55 0.808 1.364 0.800 56 0.814 1.348 0.778 57 0.826 1.320 0.742 58 0.846 1.271 0.683 59 0.851 1.260 0.669 60 0.858 1.245 0.652 61 0.865 1.229 0.635 62 0.872 1.211 0.616 63 0.883 1.189 0.592 64 0.899 1.153 0.557 65 0.906 1.139 0.543 66 0.932 1.084 0.494 67 0.962 1.024 0.443 68 0.965 1.019 0.439 69 0.977 0.996 0.421 0.992281e+33 32.996635 75.977559 0.418751e+18 17.621956 40.576054 0.100000e+01 0.000000 0.000000 0.244424e+09 8.388143 19.314413 0.969472e+07 6.986535 16.087092 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.4906 1.4228 -7.7082 8.2246 -135.7556 -130.5090 -148.6679 -13.4497 -4.4468 -0.0183 2.5552 7.8018 -10.3570 -13.4497 -4.4468 -0.0183 -88.2154 0.4551 -69.7269 -38.3680 27.1855 -47.9636 -3.5385 26.0530 -101.7356 15.1513 -3771.9868 -2675.9879 -2387.7085 61.7904 -295.6992 -339.8793 59.1197 17.6741 -32.8810 -1330.6641 -1135.4170 -907.0289 18.8625 50.0769 -124.7491 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.9442584 1.407E-9 1.833E-5 0.3853569 0.4254875 -1471.5187708 -1471.5178267 -1471.6306383 -3.9097936,7.3652783,-3.4554847,-2.6130243,-2.7577682,10.1992409 C01 [X(B1F3H30O15)] -1.8473958 0.2696964 -2.6428766 2.2734803 0.0778115 0.0243683 0.1088662 2.4637761 -0.1390899 0.0063778 -0.0871615 2.3345035 -0.9480585 0.1597678 -0.2841819 0.176657 -0.8563767 0.2681968 -0.2909653 0.2458807 -1.0242156 -0.8523533 -0.3014768 -0.1537875 -0.286173 -1.0486516 -0.3095948 -0.1445106 -0.315819 -0.8892961 -1.1676575 0.1887409 0.2584731 0.1514802 -0.6502169 -0.1065341 0.2357791 -0.1149306 -1.0448192 -1.0491119 -0.1905674 -0.0168597 -0.216658 -1.4683933 0.2383214 -0.0042995 0.2092652 -1.0503513 0.3579198 -0.0018328 0.0933516 -0.0179838 0.4544901 0.0698996 0.0245512 0.0538819 0.6547362 0.9421768 0.0574597 0.2012312 0.0520061 0.4221807 0.0136721 0.2460072 0.0113285 0.4230483 -1.1808411 -0.0008976 0.0460352 0.0146839 -1.0060087 0.1812445 0.0825886 0.1785141 -0.8354782 0.463049 0.0190958 0.0301695 0.040629 0.4334435 0.0723267 0.0363652 0.0059856 0.3929191 -0.9385412 0.1917534 -0.16015 0.1907693 -1.5019305 -0.0918105 -0.1655067 -0.127262 -1.3635747 0.7784527 0.254086 0.5351259 0.2347923 0.474727 0.2896966 0.5305951 0.3046999 1.1345743 0.4417798 -0.087388 0.0853998 -0.0880595 0.7541604 -0.3421568 0.0705385 -0.2882753 0.6017242 0.6805036 -0.4597119 -0.3458203 -0.4391134 1.1038024 0.5126819 -0.3374668 0.5266148 0.7046431 -1.3055438 0.0809833 0.1096107 0.0783915 -1.1928461 0.0339485 0.1021498 0.0549073 -0.912662 1.0519984 0.086771 -0.152382 0.0882997 0.4217285 -0.0254057 -0.0693521 -0.0174114 0.3757709 -1.131504 0.1743967 -0.0445984 0.1658211 -1.1039975 -0.2053938 -0.0459623 -0.2203528 -1.2416949 0.3531667 0.015284 0.0891513 0.0091367 0.4057034 -0.0153086 0.0401836 -0.0016362 1.0498334 -0.8882443 0.1043495 -0.017994 0.102525 -1.2040059 0.0456813 0.0034851 0.036654 -1.0452877 0.6946786 -0.1994277 -0.0246339 -0.2428599 0.528134 -0.0044089 -0.062638 0.0243146 0.3828297 0.3737714 0.0949515 0.0359185 0.1390519 0.7075817 0.2287406 0.075034 0.2224225 0.5783589 -0.8203381 -0.119608 -0.0992816 -0.103947 -0.7588281 0.0884452 -0.0828689 0.0954118 -1.0743018 0.3782274 0.0525386 0.0564359 0.0109718 0.3433729 -0.0377991 0.0333379 -0.0552499 0.3893065 0.6372869 0.1704214 0.0304484 0.157656 0.4620567 -0.0454705 0.0187483 -0.0456542 0.3941237 -1.1460514 0.0357084 -0.1284269 0.0267784 -1.0013731 -0.1920585 -0.0935375 -0.1845183 -1.1921418 0.4774087 -0.2668732 -0.0229175 -0.2144928 0.8716904 0.0838579 -0.02066 0.0990009 0.427933 0.6887852 0.0453202 -0.2475521 0.0189557 0.3544837 -0.0356107 -0.2585602 -0.0577028 0.6464145 -1.007922 -0.0671467 0.0957851 -0.0510063 -0.7456663 0.0371403 0.077546 0.044566 -1.0436899 0.711952 -0.0751874 0.0890982 -0.0447056 0.3531393 -0.0411813 0.1346905 -0.0704336 0.4522917 0.4063306 0.0202683 0.0125662 -0.0213903 0.3490032 -0.0433576 0.0035268 -0.0123268 0.4044756 -1.0892122 0.0411853 -0.091546 0.0373501 -0.8083208 -0.0297669 -0.1053166 -0.0585216 -0.872699 0.4334403 0.0220935 -0.0525723 -0.0202874 0.3976702 -0.0440544 -0.0401854 -0.0932831 0.5405776 0.4130041 -0.0813408 0.0090625 -0.0582697 0.6093684 0.0196501 0.0150633 0.0712047 0.4120106 -1.0363755 0.007163 -0.0226935 0.0126555 -0.9324363 -0.1281874 -0.0426768 -0.1381293 -1.0696211 0.5948742 0.2103893 -0.0675853 0.1526013 0.5016508 -0.0683686 -0.056885 -0.0604828 0.4291331 0.6503567 -0.2733397 0.0567366 -0.2151618 0.5431113 -0.0421296 0.0416817 -0.0321895 0.4207652 -0.7884834 0.0754351 0.2065087 0.0440324 -1.1001068 -0.0497888 0.2170708 -0.039196 -0.8838219 0.5044483 0.0481446 -0.2826282 0.0397271 0.4272754 -0.0227073 -0.2430188 -0.0147913 0.7336664 0.3204294 -0.0007646 -0.0310745 0.019237 0.4246172 0.0266377 -0.0828785 0.0268085 0.357181 -0.9265791 -0.0539391 -0.1165052 -0.0267504 -1.3092528 0.0869349 -0.1052681 0.0688523 -1.2145935 0.7514722 0.261269 0.2171229 0.2594669 0.6015088 0.1496645 0.2457146 0.1753994 0.472854 0.4115009 -0.0687187 -0.1216916 -0.0899322 0.417273 0.1636948 -0.1597557 0.1301815 0.9168299 -1.0676644 -0.026917 0.0846804 -0.0125879 -0.9220602 -0.148726 0.081575 -0.1772046 -1.1064076 0.4128858 0.0293802 -0.0167277 0.0079462 0.340167 0.0205977 -0.0168749 0.0806821 0.3336505 0.4336707 0.0693375 0.0819239 0.0775237 0.5986596 0.402576 0.0830584 0.3743506 0.8272537 -1.0900724 -0.0924473 0.0161531 -0.1021028 -1.164945 0.111666 0.0122732 0.0961696 -1.2062144 0.4476781 0.1301927 -0.1454649 0.1853577 0.5639455 -0.2872837 -0.187463 -0.2343879 0.7635101 0.4017162 0.0242747 0.0369441 0.0534454 0.3479584 -0.0522497 0.0328618 -0.0173969 0.4064388 0.5323433 -0.2596808 0.0642061 -0.2853549 0.7739881 -0.027032 0.0906719 -0.0562225 0.3875723 0.4157655 -0.1213074 0.0805679 -0.1199783 1.3247488 -0.6098 0.0751755 -0.6165563 0.7219407 184.4851413|-0.9546046|186.8449547|-1.1610194|2.1717168|186.0014564 0.000048404 -0.000039025 -0.000009902 0.000009367 0.000011157 0.000004156 -0.000013434 -0.000011960 -0.000012938 -0.000059710 0.000027001 0.000033052 0.000028347 0.000043915 0.000000674 -0.000026236 0.000006905 -0.000001027 0.000001709 -0.000008214 0.000006844 0.000004123 0.000006635 -0.000006339 -0.000017907 0.000005050 0.000015009 0.000037087 -0.000021042 0.000003891 -0.000017292 -0.000016771 -0.000034042 -0.000005699 0.000022785 -0.000004300 -0.000016366 -0.000005548 0.000006498 0.000042468 -0.000019437 -0.000000795 0.000003993 0.000012918 0.000003645 0.000024789 0.000008307 0.000006976 0.000012338 -0.000009311 0.000007304 0.000015563 0.000035576 -0.000027152 -0.000040024 0.000021903 0.000020443 0.000002425 -0.000013998 0.000018607 -0.000015332 0.000007720 -0.000011878 0.000017317 -0.000022356 0.000000792 0.000036146 -0.000001216 0.000011218 -0.000008421 0.000014061 0.000024607 0.000007462 0.000013405 0.000011184 0.000002977 -0.000019377 -0.000017074 -0.000008692 0.000000126 -0.000023118 0.000019768 -0.000005946 0.000033287 -0.000003789 -0.000011566 -0.000005084 0.000000364 -0.000027007 0.000013238 0.000031453 0.000025093 -0.000011259 -0.000004277 0.000027442 -0.000002191 0.000001294 0.000011912 -0.000013233 -0.000018787 -0.000019990 0.000005239 -0.000002744 -0.000017030 -0.000000302 -0.000003727 -0.000009635 -0.000000197 0.000005549 0.000020627 0.000007863 -0.000022295 -0.000007464 -0.000001029 -0.000019224 -0.000016015 -0.000003822 0.000020607 0.000007507 -0.000001074 0.000004267 -0.000009797 -0.000020710 0.000001117 -0.000022670 -0.000001081 -0.000013669 0.000010951 0.000000308 -0.000013955 0.000002195 -0.000013470 -0.000032279 -0.000057197 -0.000005719 -0.000004273 0.000027031 -0.000003474 0.000001794 -0.000000556 -0.000001884 -0.000015465 0.000024400 -0.000008834 0.000002870 -0.000001494 0.000007093 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.4731,-.8575,-1.7331;2.4458,-1.4962,-.9013;1.0015,-1.827,-2.6624;.37,-.4905,-.8886;1.9609,.3291,-2.3673;.4662,-.1376,.9299;-.5625,-2.9837,.8053;3.3738,.3988,1.2147;3.3274,-.3525,.6043;-2.7733,-1.2386,1.8223;-2.18,-.9778,2.6171;3.2438,1.1774,.6255;-2.2657,-1.953,1.2744;.7205,.1036,1.8363;1.6913,.2645,1.7691;-1.513,-3.0498,.5601;-1.5497,-2.959,-.419;2.8795,2.3624,-.6562;2.0737,2.8965,-.513;2.5969,1.6802,-1.2986;-1.6077,-2.8259,-2.1944;-1.6411,-3.7102,-2.5811;-.7237,-2.4888,-2.4178;-1.2203,-.4721,3.7213;-1.5689,.4245,3.928;-.4284,-.3022,3.1697;-2.0235,.3197,-2.0131;-1.2294,-.1291,-1.6739;-2.4885,-.3565,-2.5232;1.134,-2.7845,1.3811;1.6314,-2.5279,.5884;1.0249,-1.9431,1.8554;-.0912,2.2466,-2.837;-.8844,1.6957,-2.7053;.6468,1.6101,-2.7557;-2.1655,2.1339,4.014;-1.7915,2.3976,3.1491;-3.1217,2.1295,3.8816;-2.9882,.9348,.5082;-2.2591,1.4956,.8654;-2.7324,.7467,-.4209;.3585,3.6524,-.536;.2848,4.6015,-.695;.1196,3.2123,-1.3885;-.8895,2.3754,1.5617;-.4877,2.9177,.848;2.5926,.1397,-3.0716;-.253,1.6475,1.7201;-2.874,-.3817,1.2549; Gaussian 16 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.4731,-.8575,-1.7331;2.4458,-1.4962,-.9013;1.0015,-1.827,-2.6624;.37,-.4905,-.8886;1.9609,.3291,-2.3673;.4662,-.1376,.9299;-.5625,-2.9837,.8053;3.3738,.3988,1.2147;3.3274,-.3525,.6043;-2.7733,-1.2386,1.8223;-2.18,-.9778,2.6171;3.2438,1.1774,.6255;-2.2657,-1.953,1.2744;.7205,.1036,1.8363;1.6913,.2645,1.7691;-1.513,-3.0498,.5601;-1.5497,-2.959,-.419;2.8795,2.3624,-.6562;2.0737,2.8965,-.513;2.5969,1.6802,-1.2986;-1.6077,-2.8259,-2.1944;-1.6411,-3.7102,-2.5811;-.7237,-2.4888,-2.4178;-1.2203,-.4721,3.7213;-1.5689,.4245,3.928;-.4284,-.3022,3.1697;-2.0235,.3197,-2.0131;-1.2294,-.1291,-1.6739;-2.4885,-.3565,-2.5232;1.134,-2.7845,1.3811;1.6314,-2.5279,.5884;1.0249,-1.9431,1.8554;-.0912,2.2466,-2.837;-.8844,1.6957,-2.7053;.6468,1.6101,-2.7557;-2.1655,2.1339,4.014;-1.7915,2.3976,3.1491;-3.1217,2.1295,3.8816;-2.9882,.9348,.5082;-2.2591,1.4956,.8654;-2.7324,.7467,-.4209;.3585,3.6524,-.536;.2848,4.6015,-.695;.1196,3.2123,-1.3885;-.8895,2.3754,1.5617;-.4877,2.9177,.848;2.5926,.1397,-3.0716;-.253,1.6475,1.7201;-2.874,-.3817,1.2549; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF41/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 15-agua-BF3/ CONF41 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 91 91 2150.3575871184 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0609015964 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.430375 0.000000 1.423359 2.301498 0.000000 1.436883 2.306692 2.309002 0.000000 1.431189 2.390840 2.378281 2.321468 0.000000 2.936539 3.019572 4.005625 1.854916 3.650130 0.000000 3.886808 3.764933 3.976022 3.155185 5.235212 3.028870 0.000000 3.725671 2.988285 5.061046 3.773337 3.851270 2.970396 5.206117 0.000000 3.026019 2.086181 4.272618 3.315779 3.340988 2.887715 4.700575 0.969125 0.000000 5.551408 5.892690 5.891409 4.217770 6.513380 3.535984 2.994596 6.390443 6.283963 0.000000 5.681801 5.834827 6.222221 4.362313 6.610525 3.248787 3.150027 5.891165 5.896911 1.025562 0.000000 3.583232 3.180645 4.986496 3.651516 3.364928 3.088239 5.642301 0.985065 1.532335 6.593613 6.166718 0.000000 4.921754 5.209676 5.117549 3.710104 6.027833 3.298147 2.045330 6.110570 5.856124 1.033577 1.661706 6.369921 0.000000 3.772370 3.609801 4.903578 2.810945 4.388642 0.971913 3.498727 2.741058 2.919224 3.742858 3.192465 2.997669 3.669253 0.000000 3.683940 3.286361 4.948548 3.062563 4.145662 1.538472 4.069343 1.776557 2.101015 4.711181 4.153194 2.133393 4.562921 0.986303 0.000000 4.356745 4.496805 4.266451 3.492075 5.661674 3.540408 0.983825 6.016814 5.541398 2.542013 2.994832 6.364023 1.509831 4.069564 4.765869 0.000000 3.908902 4.282024 3.580843 3.162118 5.189508 3.720631 1.572891 6.179340 5.623774 3.079082 3.679734 6.417024 2.095812 4.429446 5.067772 0.984049 0.000000 3.675005 3.890680 5.010282 3.806642 2.811791 3.819660 6.524136 2.756939 3.026572 7.145979 6.889794 1.783207 6.987388 3.996998 3.419790 7.075668 6.927516 0.000000 3.992752 4.425522 5.299171 3.809882 3.169076 3.724460 6.577545 3.303590 3.657283 6.785761 6.549866 2.370748 6.748572 3.892340 3.504446 7.026652 6.886490 0.977243 0.000000 2.809247 3.204747 4.087275 3.136750 1.836356 3.579203 6.013357 2.926168 2.878591 6.862930 6.724310 2.091305 6.592908 3.979251 3.497855 6.535983 6.284078 0.978745 1.539618 0.000000 3.684887 4.457677 2.832805 3.327214 4.766404 4.613965 3.180437 6.843689 6.189157 4.473506 5.185877 6.893159 3.636958 5.499957 6.011890 2.765214 1.781270 7.029876 7.008953 6.227851 0.000000 4.307507 4.942250 3.245950 4.156340 5.416218 5.434184 3.627446 7.512719 6.790190 5.175000 5.897228 7.617952 4.282816 6.295707 6.769530 3.212433 2.290653 7.811322 7.856493 6.975776 0.965699 0.000000 2.820543 3.651088 1.863854 2.743663 3.892256 4.260359 3.264844 6.190538 5.487083 4.872695 5.454756 6.200314 4.037039 5.186929 5.562606 3.131452 2.213257 6.294430 6.360403 5.446030 0.972166 1.536266 0.000000 6.095310 5.988086 6.893765 4.876569 6.916160 3.278441 3.904401 5.305362 5.514674 2.570161 1.547914 5.677385 3.045249 2.766091 3.582047 4.089405 4.841032 6.633630 6.334554 6.663566 6.378560 7.098059 6.480953 0.000000 6.553250 6.567287 7.423620 5.272251 7.218037 3.666948 4.730816 5.638541 5.968676 2.941173 2.014527 5.885200 3.630413 3.117635 3.913531 4.839053 5.508645 6.675233 6.253116 6.800644 6.931839 7.711619 7.033594 0.983980 0.000000 5.287775 5.124370 6.195371 4.140366 6.063449 2.417442 3.577564 4.332420 4.548608 2.861976 1.956958 4.706051 3.113360 1.806226 2.603060 3.941468 4.603734 5.716593 5.482123 5.748738 6.044231 6.793810 6.007353 0.979921 1.550494 0.000000 3.700013 4.950555 3.765716 2.765716 4.000105 3.881788 4.581489 6.289323 5.994519 4.207278 4.811079 5.953324 4.003960 4.732255 5.301608 4.270274 3.676287 5.482010 5.067233 4.869240 3.178131 4.087617 3.121044 5.844260 5.959367 5.458179 0.000000 2.799542 3.996616 2.972725 1.817992 3.296786 3.107161 3.839236 5.460056 5.099447 3.979754 4.476196 5.196518 3.618458 4.022193 4.532016 3.688021 3.112123 4.911820 4.627338 4.249134 2.772496 3.717053 2.525334 5.406100 5.639409 4.912372 0.973156 0.000000 4.070550 5.317596 3.789723 3.295528 4.504603 4.549907 4.657306 6.993517 6.603481 4.443338 5.186913 6.717644 4.125610 5.432800 6.023279 4.208595 3.475890 6.300243 5.952856 5.613313 2.642321 3.459549 2.769909 6.373071 6.563072 6.054400 0.966300 1.535712 0.000000 3.677807 2.930829 4.157462 3.316356 4.942554 2.766859 1.802641 3.895834 3.365886 4.225118 3.971646 4.551798 3.501550 2.952842 3.123666 2.784093 3.236231 5.804131 6.061670 5.408738 4.505895 4.925178 4.239167 4.045497 4.908154 3.435337 5.579091 4.687197 5.853342 0.000000 2.864334 1.986657 3.384627 2.814973 4.123986 2.681009 2.251191 3.463233 2.758514 4.752502 4.587437 4.041157 3.998552 3.051554 3.032348 3.187513 3.364473 5.198292 5.552725 4.711828 4.280686 4.706634 3.819046 4.708850 5.487410 3.982369 5.313609 4.365340 5.600938 0.970369 0.000000 3.775775 3.133371 4.519372 3.173173 4.885736 2.104429 2.169240 3.378211 3.065465 3.863153 3.432638 4.021681 3.341537 2.069323 2.307611 3.056711 3.582387 5.318390 5.489150 5.054454 4.910277 5.469242 4.649286 3.268966 4.077886 2.555743 5.420153 4.563812 5.833840 0.971980 1.521557 0.000000 3.647061 4.918520 4.221210 3.391187 2.847530 4.492708 6.390965 5.642437 5.503109 6.407074 6.671368 4.924871 6.266546 5.204950 5.321824 6.450855 5.922118 3.686994 3.241957 3.148547 5.333176 6.160388 4.795758 7.188746 7.160273 6.533782 2.850535 2.879638 3.552693 6.678727 6.123432 6.388900 0.000000 3.608649 4.953146 3.996067 3.106966 3.174589 4.289499 5.858768 5.931397 5.734821 5.716490 6.095428 5.329680 5.573143 5.073203 5.357502 5.794657 5.228369 4.337063 3.872814 3.754857 4.607531 5.460009 4.197465 6.790726 6.788632 6.222140 1.915746 2.124360 2.611098 6.391051 5.917526 6.138975 0.974704 0.000000 2.796033 4.040366 3.456671 2.823971 1.875845 4.082918 5.936835 4.966672 4.725095 6.385213 6.599572 4.285323 6.117235 4.833363 4.834734 6.113413 5.582188 3.155674 2.953026 2.435333 5.007607 5.793999 4.335130 7.054982 7.140480 6.318413 3.057286 2.777640 3.708333 6.054993 5.410683 5.833557 0.977889 1.534457 0.000000 7.430840 7.655238 8.384162 6.111662 7.810689 4.647352 6.249502 6.444459 6.926837 4.067809 3.410924 6.454278 4.921267 4.146539 4.838362 6.263059 6.780042 6.878624 6.248701 7.149220 7.965896 8.827456 8.050920 2.787568 1.812558 3.108903 6.295850 6.192745 7.003019 6.481482 6.919830 5.608967 7.159124 6.854416 7.349312 0.000000 6.714789 7.037166 7.708534 5.414411 6.984979 4.055755 5.996867 5.866606 6.343651 3.993289 3.439054 5.762907 4.761016 3.646327 4.310940 6.037705 6.440697 6.024881 5.347802 6.289268 7.474700 8.376273 7.483802 2.981415 2.132894 3.024442 5.569494 5.473668 6.343955 6.207878 6.521767 5.333579 6.224751 5.965676 6.436707 0.978569 0.000000 7.845935 8.186512 8.687861 6.466149 8.253694 5.169669 6.492968 7.231833 7.648030 3.963110 3.484429 7.213055 4.919079 4.801055 5.577291 6.359637 6.845386 7.527280 6.847806 7.729122 7.985338 8.835157 8.170792 3.226408 2.306596 3.697855 6.263258 6.288504 6.899458 6.964963 7.424857 6.155161 7.371409 6.969982 7.650116 0.965344 1.542060 0.000000 5.304621 6.117613 5.796442 3.906408 5.755824 3.641516 4.618168 6.423528 6.446197 2.548942 2.959528 6.237829 3.073917 4.026107 4.892523 4.249241 4.253354 6.150071 5.523914 5.917266 4.832505 5.738872 5.040956 3.927988 3.737603 3.894368 2.768772 2.997835 3.332710 5.620315 5.773872 5.118837 4.615659 3.915570 4.931759 3.795432 3.247438 3.581127 0.000000 5.120356 5.848748 5.840946 3.732674 5.442371 3.177798 4.790241 5.749272 5.890006 2.942173 3.031908 5.517256 3.472844 3.429031 4.235262 4.616307 4.690024 5.428712 4.757617 5.319552 5.334981 6.273774 5.386322 3.620396 3.317089 3.448627 3.118317 3.185570 3.868554 5.486161 5.603647 4.856873 4.355655 3.831401 4.644258 3.214052 2.499472 3.200515 0.986765 0.000000 4.688403 5.663477 5.058691 3.372512 5.098027 3.582918 4.486421 6.331026 6.243418 2.995911 3.536750 6.082375 3.221893 4.175085 4.959575 4.106398 3.889835 5.844536 5.265767 5.481180 4.144102 5.071576 4.300118 4.574942 4.513374 4.393260 1.794397 2.143812 2.386675 5.537649 5.548345 5.151104 3.881145 3.087727 4.197070 4.681296 4.044200 4.535978 0.981913 1.561895 0.000000 4.797409 5.567670 5.912677 4.157902 4.119016 4.065069 6.832716 4.768964 5.114062 6.268417 6.150198 3.974848 6.448713 4.284040 4.309002 7.044417 6.882271 2.834358 1.874489 3.079253 6.970320 7.898671 6.513617 6.134250 5.836247 5.476328 4.354656 4.256348 5.303433 6.760955 6.409456 6.121511 2.733796 3.174864 3.030038 5.420291 4.447124 5.826340 4.435816 3.669818 4.243865 0.000000 5.682514 6.472643 6.760971 5.096388 4.884658 5.013250 7.778503 5.554450 5.957142 7.056718 6.940770 4.714204 7.303886 5.179652 5.182626 7.959283 7.784780 3.427410 2.477966 3.774174 7.810035 8.737898 7.365991 6.892835 6.500486 6.284191 5.039817 5.062617 5.967903 7.719108 7.368134 7.062911 3.205550 3.721856 3.650451 5.853952 4.893427 6.217773 5.060169 4.307326 4.902911 0.965147 0.000000 4.302880 5.274422 5.272207 3.744770 3.558391 4.088640 6.608249 5.028208 5.193193 6.203979 6.236143 4.237679 6.281864 4.519363 4.596742 6.758429 6.466156 2.979195 2.164464 2.914278 6.331931 7.241782 5.854360 6.440501 6.236003 5.781754 3.653782 3.614753 4.563580 6.682936 6.256533 6.158007 1.753722 2.245491 2.171255 5.964194 4.990502 6.281043 4.294484 3.699294 3.892179 0.988699 1.561418 0.000000 5.185419 5.672698 6.251298 3.975319 5.267745 2.924388 5.422072 4.712005 5.112730 4.083837 3.744703 4.404038 4.550999 2.797928 3.340542 5.551920 5.728348 4.373127 3.654608 4.562866 6.455752 7.400052 6.286788 3.589082 3.141171 3.157144 4.276724 4.105678 5.167791 5.545356 5.598578 4.732893 4.472420 4.320769 4.645972 2.775013 1.825908 3.228806 2.754877 1.770418 3.159005 2.754755 3.380474 3.228306 0.000000 4.975879 5.581096 6.087179 3.920135 4.799523 3.201840 5.902105 4.625017 5.030779 4.842419 4.600936 4.123372 5.202682 3.218048 3.554711 6.061800 6.104833 3.729452 2.900586 3.956584 6.595463 7.551047 6.320763 4.503725 4.107499 3.970081 4.158650 4.024107 5.107757 5.952260 5.849191 5.189471 3.766620 3.778486 3.997931 3.667862 2.695420 4.094119 3.209352 2.271667 3.370796 1.780828 2.411005 2.336103 0.982306 0.000000 2.009829 2.721734 2.562606 3.178431 0.964825 4.539828 5.894076 4.364587 3.780711 7.392134 7.509130 3.894793 6.846211 5.252953 4.925394 6.341758 5.813426 3.294958 3.796807 2.348726 5.216012 5.743360 4.281807 7.813804 8.148226 6.947990 4.739325 4.078435 5.134656 5.523102 4.629831 5.574118 3.420054 3.826944 2.459330 8.764865 7.938195 9.217338 6.677795 6.393516 5.979143 4.874416 5.557171 4.288399 6.212110 5.706947 0.000000 4.602023 4.902850 5.731691 3.429927 4.831808 2.080454 4.730873 3.868867 4.250181 3.833100 3.377900 3.694094 4.148968 1.828879 2.386473 4.999772 5.241844 3.996235 3.458274 4.151565 6.096700 7.009394 5.869648 3.071389 2.846483 2.435871 4.339840 3.953320 5.198001 4.656293 4.718643 3.813631 4.599164 4.470477 4.565425 3.026021 2.229731 3.624113 3.075393 2.185848 3.397472 3.079515 3.853327 3.500059 0.979810 1.558540 5.773277 0.000000 5.296357 5.847344 5.696849 3.889718 6.082930 3.364784 3.509390 6.296465 6.235496 1.032699 1.640882 6.344612 1.685106 3.673415 4.639344 3.074695 3.346416 6.654662 6.192828 6.379872 4.413115 5.226278 4.749006 2.970849 3.081938 3.106971 3.448946 3.368449 3.797862 4.674750 5.034751 4.242619 5.603213 4.894646 5.696317 3.800352 3.533238 3.642332 1.517842 2.013473 2.025285 5.470890 6.213923 5.372683 3.410772 4.092196 6.991006 3.347185 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4216,.4734,.3244;-2.4212,.6893,1.7383;-3.0205,1.613,-.2827;-1.0486,.4261,-.0967;-3.0469,-.7548,-.0614;.3925,-.0784,.9565;.4985,2.9483,.9988;-1.0158,-1.5635,3.1092;-1.5802,-.7941,2.9402;2.8543,1.9562,-.5611;3.1748,1.4536,.2735;-1.2991,-2.2077,2.4199;2.019,2.5035,-.2949;.9986,-.4594,1.6138;.3966,-.9256,2.2407;.8532,3.3427,.1702;.1078,3.3452,-.4722;-1.939,-3.1034,1.017;-1.2758,-3.3514,.3434;-2.3802,-2.3186,.6332;-1.2532,3.3766,-1.621;-1.6657,4.2496,-1.6053;-1.9038,2.7853,-1.2061;3.5606,.576,1.4888;4.0563,-.1688,1.0791;2.6793,.1978,1.6902;-.4221,.5398,-2.7882;-.6822,.6741,-1.8601;-.6498,1.3688,-3.2293;-.013,2.1571,2.5357;-.9008,1.8131,2.3483;.5471,1.3646,2.4804;-1.9443,-1.8464,-2.4491;-1.4501,-1.0768,-2.7862;-2.4031,-1.497,-1.6593;4.716,-1.5873,.1636;3.8442,-1.8916,-.1603;5.1724,-1.2577,-.6206;2.2397,.0836,-2.1776;2.1739,-.712,-1.5976;1.3228,.2483,-2.4881;-.1789,-3.4956,-1.1697;-.1288,-4.3521,-1.6119;-.779,-2.9368,-1.722;2.0463,-2.0451,-.4396;1.3179,-2.6326,-.7381;-4.006,-.7303,.041;1.6957,-1.5823,.3496;2.5821,1.2269,-1.2398; 0.2370790 0.1978303 0.1708752 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 598 RedAO= T EigKep= 9.74D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 616 616 616 616 616 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.94425837279 -1471.94425837 1 1.467081636738e+03 -7.782090987473e+03 2.692753720558e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT326.700S Fri Jul 19 04:56:05 2024 -24.65995 -24.65161 -24.65102 -19.16612 -19.13766 -19.13305 -19.12992 -19.12949 -19.12856 -19.12681 -19.12525 -19.12476 -19.12379 -19.12361 -19.12072 -19.12033 -19.11960 -19.11432 -6.86364 -1.20865 -1.16718 -1.16115 -1.07090 -1.03095 -1.02959 -1.02557 -1.02261 -1.02029 -1.01714 -1.01643 -1.01310 -1.00942 -1.00584 -1.00319 -1.00141 -0.99665 -0.99419 -0.58831 -0.56934 -0.56121 -0.54987 -0.54742 -0.54523 -0.54136 -0.53904 -0.53693 -0.53589 -0.53340 -0.53225 -0.52969 -0.52861 -0.52408 -0.52075 -0.51940 -0.50611 -0.50090 -0.44835 -0.44524 -0.43745 -0.43424 -0.42649 -0.42576 -0.42395 -0.41300 -0.41204 -0.40992 -0.40510 -0.40477 -0.40235 -0.39808 -0.39361 -0.39242 -0.38940 -0.38313 -0.37859 -0.37505 -0.35950 -0.33653 -0.33248 -0.33114 -0.33075 -0.32843 -0.32733 -0.32696 -0.32600 -0.32374 -0.32338 -0.32136 -0.32040 -0.32004 -0.31396 -0.00940 0.01735 0.01790 0.02172 0.04038 0.05452 0.06429 0.06700 0.07074 0.07584 0.09336 0.09908 0.10149 0.10492 0.10940 0.11076 0.11504 0.12812 0.13008 0.13409 0.13812 0.14239 0.14639 0.15076 0.15263 0.15479 0.15618 0.15908 0.16185 0.17161 0.17490 0.17847 0.18090 0.18472 0.18723 0.19163 0.19448 0.19756 0.20118 0.20436 0.20770 0.21312 0.21396 0.21718 0.21821 0.22501 0.22617 0.22743 0.23340 0.23666 0.24131 0.24276 0.24684 0.24892 0.25341 0.25686 0.25749 0.26121 0.26523 0.26632 0.26800 0.27471 0.27568 0.27900 0.28152 0.28424 0.28606 0.28872 0.29228 0.29418 0.29524 0.30354 0.30534 0.30654 0.30866 0.31355 0.31807 0.32222 0.32348 0.32879 0.33821 0.34056 0.34413 0.36305 0.37082 0.37977 0.38422 0.38645 0.39948 0.40158 0.41579 0.42364 0.43285 0.43990 0.45082 0.45500 0.46362 0.47357 0.47567 0.48830 0.50083 0.50571 0.50965 0.51433 0.51519 0.52642 0.53092 0.53555 0.53783 0.54013 0.54972 0.55580 0.55671 0.56449 0.56923 0.58297 0.58629 0.58826 0.59613 0.59954 0.60393 0.60758 0.61431 0.62359 0.63236 0.63739 0.64270 0.64669 0.65134 0.65450 0.66025 0.67278 0.67475 0.67597 0.68224 0.69389 0.70297 0.70712 0.71612 0.71932 0.72919 0.74440 0.76379 0.81934 0.94380 0.94999 0.95847 0.96186 0.96868 0.97673 0.98010 0.99059 0.99370 0.99561 1.00681 1.01103 1.01287 1.02091 1.02892 1.03622 1.04152 1.04971 1.05274 1.05453 1.06227 1.06722 1.07276 1.08003 1.08844 1.09004 1.09168 1.09640 1.10004 1.11002 1.11420 1.11982 1.12214 1.12522 1.13308 1.13600 1.14296 1.14930 1.15225 1.15858 1.16403 1.17702 1.18349 1.19436 1.19988 1.20381 1.22035 1.23607 1.25280 1.26638 1.26985 1.27385 1.28302 1.28889 1.29651 1.29898 1.31314 1.31942 1.32574 1.32806 1.33398 1.33645 1.34866 1.35290 1.35866 1.36796 1.37826 1.37948 1.38755 1.39324 1.39655 1.40450 1.40704 1.41149 1.41965 1.42849 1.43128 1.43593 1.45267 1.45521 1.46289 1.47145 1.47462 1.48534 1.49278 1.49579 1.50799 1.51514 1.51833 1.52842 1.53155 1.54150 1.54769 1.55495 1.55977 1.56826 1.57044 1.58610 1.58696 1.59836 1.60287 1.60583 1.62374 1.62897 1.63686 1.64059 1.65123 1.66594 1.67564 1.68084 1.69103 1.69508 1.70101 1.71139 1.73252 1.74139 1.75118 1.75392 1.76225 1.76714 1.77477 1.78479 1.78778 1.80747 1.81468 1.83107 1.83858 1.83940 1.84883 1.85976 1.87237 1.89005 1.89558 2.01163 2.01946 2.03112 2.04503 2.05649 2.07002 2.10286 2.11940 2.13666 2.16789 2.20689 2.21364 2.22555 2.24001 2.24553 2.25966 2.26714 2.27655 2.28747 2.28936 2.31584 2.32450 2.33170 2.34436 2.35166 2.37151 2.38110 2.39082 2.40407 2.42319 2.43305 2.44504 2.46721 2.48366 2.50245 2.52007 2.53284 2.58016 2.58831 2.61085 2.61990 2.65820 2.68514 2.69295 2.70076 2.70632 2.71380 2.72252 2.72793 2.73655 2.74902 2.74922 2.76842 2.76998 2.78208 2.78535 2.79915 2.81463 2.81718 2.82497 2.84024 2.86029 2.88273 2.88534 2.89578 2.93850 2.95997 3.07424 3.08097 3.08349 3.09259 3.09351 3.09636 3.10175 3.10622 3.11397 3.12064 3.12197 3.13065 3.13144 3.13749 3.13985 3.14287 3.14569 3.15109 3.15825 3.16169 3.16473 3.17004 3.17246 3.18264 3.18512 3.19924 3.21158 3.23262 3.23654 3.29481 3.29868 3.30945 3.31137 3.31423 3.32163 3.32927 3.34228 3.34931 3.35261 3.36053 3.36845 3.37206 3.38008 3.43048 3.53361 3.53825 3.68593 3.69489 3.70220 3.70971 3.71646 3.72109 3.72448 3.72888 3.74753 3.75496 3.75687 3.77851 3.78645 3.80634 3.81823 3.82946 3.85136 3.85364 3.85991 3.88114 3.88871 3.89998 3.90605 3.91565 3.92055 3.92243 3.93126 3.93651 3.94541 3.94694 3.95095 3.95393 3.95617 3.95910 3.97627 3.98093 4.00697 4.01683 4.09552 4.20736 4.22552 4.35613 4.65286 4.68374 4.98840 5.00172 5.02374 5.02773 5.02986 5.03843 5.04949 5.05860 5.06381 5.07627 5.08881 5.10607 5.13674 5.16908 5.19797 5.33480 5.37310 5.37414 5.40664 5.41828 5.42829 5.43047 5.44314 5.45015 5.47920 5.49634 5.51353 5.52709 5.57290 5.59652 5.64242 5.64475 5.65497 5.65592 5.67355 5.68882 5.70363 5.71914 5.73095 5.73662 5.75177 5.76386 5.78169 5.78739 5.79978 6.36286 6.40029 6.42133 6.47050 6.54417 6.56198 6.62137 6.68412 6.76766 14.57235 49.87697 49.89705 49.90030 49.91095 49.92112 49.92348 49.92802 49.93165 49.94587 49.94793 49.95204 49.96637 49.97431 49.97512 49.99745 66.84565 66.86411 66.88052 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 0.925758 -0.437614 -0.394374 -0.419706 -0.800570 0.314314 0.421270 -0.700832 0.305982 -0.678747 0.467036 0.380249 0.526275 -0.787818 0.476824 -0.842303 0.434115 -0.733750 0.369598 0.363755 -0.691224 0.336321 0.330139 -0.743359 0.407023 0.348723 -0.655762 0.304359 0.338196 -0.660567 0.317822 0.332434 -0.698192 0.345451 0.362472 -0.682052 0.369079 0.305283 -0.812577 0.410996 0.430358 -0.755533 0.346796 0.400985 -0.833893 0.465708 0.333079 0.370400 0.488074 -0.00000 -2.4906 1.4228 -7.7082 8.2246 -135.7556 -130.5090 -148.6679 -13.4497 -4.4468 -0.0183 2.5552 7.8018 -10.3570 -13.4497 -4.4468 -0.0183 -88.2153 0.4551 -69.7269 -38.3680 27.1855 -47.9636 -3.5385 26.0530 -101.7357 15.1513 -3771.9866 -2675.9878 -2387.7084 61.7904 -295.6992 -339.8793 59.1198 17.6742 -32.8810 -1330.6640 -1135.4169 -907.0288 18.8625 50.0769 -124.7491 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CABRERA LAMSABHI 19-Jul-2024 0 Wavefunction 15-agua-BF3/ CONF41 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.9442584 RMSD=2.034e-09 Dipole=-1.8473949,0.269697,-2.6428772 Quadrupole=-3.9097918,7.3652807,-3.4554888,-2.6130311,-2.7577658,10.1992443 PG=C01 [X(B1F3H30O15)] 0 1.4730651804 -0.8575471407 -1.7330560718 0 2.4457826099 -1.496244482 -0.901275167 0 1.0015120481 -1.827038196 -2.6623973362 0 0.3699525423 -0.4904617965 -0.8886480926 0 1.9609039134 0.3290514989 -2.3673256351 0 0.466160346 -0.1376161203 0.9298562515 0 -0.5625154148 -2.983728394 0.8052579088 0 3.3738004181 0.3987862533 1.2147325592 0 3.327406844 -0.3524718885 0.6042725293 0 -2.7733473921 -1.2386323736 1.8223457151 0 -2.1799584511 -0.9777901825 2.6170961342 0 3.2437942365 1.1774327291 0.625529471 0 -2.2657364484 -1.9530474614 1.2744185746 0 0.7205226271 0.1036284624 1.8363414071 0 1.6912880297 0.2645045742 1.7690562241 0 -1.5130209438 -3.0497677535 0.5601266349 0 -1.5496673344 -2.9589663254 -0.4190389087 0 2.8794522461 2.3624170996 -0.6562254356 0 2.0736858358 2.8964778956 -0.5129673181 0 2.5969312186 1.6801802345 -1.2986243341 0 -1.6077062807 -2.8259004758 -2.1943834019 0 -1.6411032244 -3.7101645622 -2.5810824032 0 -0.7236615775 -2.4887876799 -2.4178263036 0 -1.2202681866 -0.4720944699 3.7213174413 0 -1.5689359576 0.4245257115 3.9280037488 0 -0.4284051036 -0.3021965163 3.1696538475 0 -2.0234729958 0.319696523 -2.013079178 0 -1.2293983536 -0.1291072062 -1.6738830622 0 -2.4884957685 -0.3565012153 -2.5232220883 0 1.133999055 -2.7844695265 1.3811483661 0 1.6313571385 -2.5279174658 0.5884119225 0 1.0248869055 -1.943100104 1.8554236148 0 -0.0911586735 2.246557621 -2.8370444095 0 -0.8844354185 1.6957323097 -2.7053221986 0 0.6468047895 1.6101201455 -2.7556568748 0 -2.1655358247 2.1339215248 4.0140374636 0 -1.7914858097 2.3975886085 3.1490729344 0 -3.1217355324 2.1295305277 3.8815556301 0 -2.9882116332 0.9348482447 0.5082229441 0 -2.2590538649 1.4956185219 0.8653942544 0 -2.7323835165 0.7467048337 -0.4209197784 0 0.3585470648 3.6524406441 -0.53597979 0 0.2848466702 4.6015360199 -0.6950243032 0 0.1195512252 3.2123462558 -1.3884608487 0 -0.8895083598 2.3753567887 1.5616586699 0 -0.4876935569 2.9177476039 0.8480186924 0 2.5926318096 0.1396543292 -3.0715529548 0 -0.2529657155 1.6475197016 1.7200691628 0 -2.8739793304 -0.381664799 1.25494212 Gaussian 16 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.4731,-.8575,-1.7331;2.4458,-1.4962,-.9013;1.0015,-1.827,-2.6624;.37,-.4905,-.8886;1.9609,.3291,-2.3673;.4662,-.1376,.9299;-.5625,-2.9837,.8053;3.3738,.3988,1.2147;3.3274,-.3525,.6043;-2.7733,-1.2386,1.8223;-2.18,-.9778,2.6171;3.2438,1.1774,.6255;-2.2657,-1.953,1.2744;.7205,.1036,1.8363;1.6913,.2645,1.7691;-1.513,-3.0498,.5601;-1.5497,-2.959,-.419;2.8795,2.3624,-.6562;2.0737,2.8965,-.513;2.5969,1.6802,-1.2986;-1.6077,-2.8259,-2.1944;-1.6411,-3.7102,-2.5811;-.7237,-2.4888,-2.4178;-1.2203,-.4721,3.7213;-1.5689,.4245,3.928;-.4284,-.3022,3.1697;-2.0235,.3197,-2.0131;-1.2294,-.1291,-1.6739;-2.4885,-.3565,-2.5232;1.134,-2.7845,1.3811;1.6314,-2.5279,.5884;1.0249,-1.9431,1.8554;-.0912,2.2466,-2.837;-.8844,1.6957,-2.7053;.6468,1.6101,-2.7557;-2.1655,2.1339,4.014;-1.7915,2.3976,3.1491;-3.1217,2.1295,3.8816;-2.9882,.9348,.5082;-2.2591,1.4956,.8654;-2.7324,.7467,-.4209;.3585,3.6524,-.536;.2848,4.6015,-.695;.1196,3.2123,-1.3885;-.8895,2.3754,1.5617;-.4877,2.9177,.848;2.5926,.1397,-3.0716;-.253,1.6475,1.7201;-2.874,-.3817,1.2549; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF41/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 15-agua-BF3/ CONF41 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 91 91 2150.3575871184 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0609015964 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.430375 0.000000 1.423359 2.301498 0.000000 1.436883 2.306692 2.309002 0.000000 1.431189 2.390840 2.378281 2.321468 0.000000 2.936539 3.019572 4.005625 1.854916 3.650130 0.000000 3.886808 3.764933 3.976022 3.155185 5.235212 3.028870 0.000000 3.725671 2.988285 5.061046 3.773337 3.851270 2.970396 5.206117 0.000000 3.026019 2.086181 4.272618 3.315779 3.340988 2.887715 4.700575 0.969125 0.000000 5.551408 5.892690 5.891409 4.217770 6.513380 3.535984 2.994596 6.390443 6.283963 0.000000 5.681801 5.834827 6.222221 4.362313 6.610525 3.248787 3.150027 5.891165 5.896911 1.025562 0.000000 3.583232 3.180645 4.986496 3.651516 3.364928 3.088239 5.642301 0.985065 1.532335 6.593613 6.166718 0.000000 4.921754 5.209676 5.117549 3.710104 6.027833 3.298147 2.045330 6.110570 5.856124 1.033577 1.661706 6.369921 0.000000 3.772370 3.609801 4.903578 2.810945 4.388642 0.971913 3.498727 2.741058 2.919224 3.742858 3.192465 2.997669 3.669253 0.000000 3.683940 3.286361 4.948548 3.062563 4.145662 1.538472 4.069343 1.776557 2.101015 4.711181 4.153194 2.133393 4.562921 0.986303 0.000000 4.356745 4.496805 4.266451 3.492075 5.661674 3.540408 0.983825 6.016814 5.541398 2.542013 2.994832 6.364023 1.509831 4.069564 4.765869 0.000000 3.908902 4.282024 3.580843 3.162118 5.189508 3.720631 1.572891 6.179340 5.623774 3.079082 3.679734 6.417024 2.095812 4.429446 5.067772 0.984049 0.000000 3.675005 3.890680 5.010282 3.806642 2.811791 3.819660 6.524136 2.756939 3.026572 7.145979 6.889794 1.783207 6.987388 3.996998 3.419790 7.075668 6.927516 0.000000 3.992752 4.425522 5.299171 3.809882 3.169076 3.724460 6.577545 3.303590 3.657283 6.785761 6.549866 2.370748 6.748572 3.892340 3.504446 7.026652 6.886490 0.977243 0.000000 2.809247 3.204747 4.087275 3.136750 1.836356 3.579203 6.013357 2.926168 2.878591 6.862930 6.724310 2.091305 6.592908 3.979251 3.497855 6.535983 6.284078 0.978745 1.539618 0.000000 3.684887 4.457677 2.832805 3.327214 4.766404 4.613965 3.180437 6.843689 6.189157 4.473506 5.185877 6.893159 3.636958 5.499957 6.011890 2.765214 1.781270 7.029876 7.008953 6.227851 0.000000 4.307507 4.942250 3.245950 4.156340 5.416218 5.434184 3.627446 7.512719 6.790190 5.175000 5.897228 7.617952 4.282816 6.295707 6.769530 3.212433 2.290653 7.811322 7.856493 6.975776 0.965699 0.000000 2.820543 3.651088 1.863854 2.743663 3.892256 4.260359 3.264844 6.190538 5.487083 4.872695 5.454756 6.200314 4.037039 5.186929 5.562606 3.131452 2.213257 6.294430 6.360403 5.446030 0.972166 1.536266 0.000000 6.095310 5.988086 6.893765 4.876569 6.916160 3.278441 3.904401 5.305362 5.514674 2.570161 1.547914 5.677385 3.045249 2.766091 3.582047 4.089405 4.841032 6.633630 6.334554 6.663566 6.378560 7.098059 6.480953 0.000000 6.553250 6.567287 7.423620 5.272251 7.218037 3.666948 4.730816 5.638541 5.968676 2.941173 2.014527 5.885200 3.630413 3.117635 3.913531 4.839053 5.508645 6.675233 6.253116 6.800644 6.931839 7.711619 7.033594 0.983980 0.000000 5.287775 5.124370 6.195371 4.140366 6.063449 2.417442 3.577564 4.332420 4.548608 2.861976 1.956958 4.706051 3.113360 1.806226 2.603060 3.941468 4.603734 5.716593 5.482123 5.748738 6.044231 6.793810 6.007353 0.979921 1.550494 0.000000 3.700013 4.950555 3.765716 2.765716 4.000105 3.881788 4.581489 6.289323 5.994519 4.207278 4.811079 5.953324 4.003960 4.732255 5.301608 4.270274 3.676287 5.482010 5.067233 4.869240 3.178131 4.087617 3.121044 5.844260 5.959367 5.458179 0.000000 2.799542 3.996616 2.972725 1.817992 3.296786 3.107161 3.839236 5.460056 5.099447 3.979754 4.476196 5.196518 3.618458 4.022193 4.532016 3.688021 3.112123 4.911820 4.627338 4.249134 2.772496 3.717053 2.525334 5.406100 5.639409 4.912372 0.973156 0.000000 4.070550 5.317596 3.789723 3.295528 4.504603 4.549907 4.657306 6.993517 6.603481 4.443338 5.186913 6.717644 4.125610 5.432800 6.023279 4.208595 3.475890 6.300243 5.952856 5.613313 2.642321 3.459549 2.769909 6.373071 6.563072 6.054400 0.966300 1.535712 0.000000 3.677807 2.930829 4.157462 3.316356 4.942554 2.766859 1.802641 3.895834 3.365886 4.225118 3.971646 4.551798 3.501550 2.952842 3.123666 2.784093 3.236231 5.804131 6.061670 5.408738 4.505895 4.925178 4.239167 4.045497 4.908154 3.435337 5.579091 4.687197 5.853342 0.000000 2.864334 1.986657 3.384627 2.814973 4.123986 2.681009 2.251191 3.463233 2.758514 4.752502 4.587437 4.041157 3.998552 3.051554 3.032348 3.187513 3.364473 5.198292 5.552725 4.711828 4.280686 4.706634 3.819046 4.708850 5.487410 3.982369 5.313609 4.365340 5.600938 0.970369 0.000000 3.775775 3.133371 4.519372 3.173173 4.885736 2.104429 2.169240 3.378211 3.065465 3.863153 3.432638 4.021681 3.341537 2.069323 2.307611 3.056711 3.582387 5.318390 5.489150 5.054454 4.910277 5.469242 4.649286 3.268966 4.077886 2.555743 5.420153 4.563812 5.833840 0.971980 1.521557 0.000000 3.647061 4.918520 4.221210 3.391187 2.847530 4.492708 6.390965 5.642437 5.503109 6.407074 6.671368 4.924871 6.266546 5.204950 5.321824 6.450855 5.922118 3.686994 3.241957 3.148547 5.333176 6.160388 4.795758 7.188746 7.160273 6.533782 2.850535 2.879638 3.552693 6.678727 6.123432 6.388900 0.000000 3.608649 4.953146 3.996067 3.106966 3.174589 4.289499 5.858768 5.931397 5.734821 5.716490 6.095428 5.329680 5.573143 5.073203 5.357502 5.794657 5.228369 4.337063 3.872814 3.754857 4.607531 5.460009 4.197465 6.790726 6.788632 6.222140 1.915746 2.124360 2.611098 6.391051 5.917526 6.138975 0.974704 0.000000 2.796033 4.040366 3.456671 2.823971 1.875845 4.082918 5.936835 4.966672 4.725095 6.385213 6.599572 4.285323 6.117235 4.833363 4.834734 6.113413 5.582188 3.155674 2.953026 2.435333 5.007607 5.793999 4.335130 7.054982 7.140480 6.318413 3.057286 2.777640 3.708333 6.054993 5.410683 5.833557 0.977889 1.534457 0.000000 7.430840 7.655238 8.384162 6.111662 7.810689 4.647352 6.249502 6.444459 6.926837 4.067809 3.410924 6.454278 4.921267 4.146539 4.838362 6.263059 6.780042 6.878624 6.248701 7.149220 7.965896 8.827456 8.050920 2.787568 1.812558 3.108903 6.295850 6.192745 7.003019 6.481482 6.919830 5.608967 7.159124 6.854416 7.349312 0.000000 6.714789 7.037166 7.708534 5.414411 6.984979 4.055755 5.996867 5.866606 6.343651 3.993289 3.439054 5.762907 4.761016 3.646327 4.310940 6.037705 6.440697 6.024881 5.347802 6.289268 7.474700 8.376273 7.483802 2.981415 2.132894 3.024442 5.569494 5.473668 6.343955 6.207878 6.521767 5.333579 6.224751 5.965676 6.436707 0.978569 0.000000 7.845935 8.186512 8.687861 6.466149 8.253694 5.169669 6.492968 7.231833 7.648030 3.963110 3.484429 7.213055 4.919079 4.801055 5.577291 6.359637 6.845386 7.527280 6.847806 7.729122 7.985338 8.835157 8.170792 3.226408 2.306596 3.697855 6.263258 6.288504 6.899458 6.964963 7.424857 6.155161 7.371409 6.969982 7.650116 0.965344 1.542060 0.000000 5.304621 6.117613 5.796442 3.906408 5.755824 3.641516 4.618168 6.423528 6.446197 2.548942 2.959528 6.237829 3.073917 4.026107 4.892523 4.249241 4.253354 6.150071 5.523914 5.917266 4.832505 5.738872 5.040956 3.927988 3.737603 3.894368 2.768772 2.997835 3.332710 5.620315 5.773872 5.118837 4.615659 3.915570 4.931759 3.795432 3.247438 3.581127 0.000000 5.120356 5.848748 5.840946 3.732674 5.442371 3.177798 4.790241 5.749272 5.890006 2.942173 3.031908 5.517256 3.472844 3.429031 4.235262 4.616307 4.690024 5.428712 4.757617 5.319552 5.334981 6.273774 5.386322 3.620396 3.317089 3.448627 3.118317 3.185570 3.868554 5.486161 5.603647 4.856873 4.355655 3.831401 4.644258 3.214052 2.499472 3.200515 0.986765 0.000000 4.688403 5.663477 5.058691 3.372512 5.098027 3.582918 4.486421 6.331026 6.243418 2.995911 3.536750 6.082375 3.221893 4.175085 4.959575 4.106398 3.889835 5.844536 5.265767 5.481180 4.144102 5.071576 4.300118 4.574942 4.513374 4.393260 1.794397 2.143812 2.386675 5.537649 5.548345 5.151104 3.881145 3.087727 4.197070 4.681296 4.044200 4.535978 0.981913 1.561895 0.000000 4.797409 5.567670 5.912677 4.157902 4.119016 4.065069 6.832716 4.768964 5.114062 6.268417 6.150198 3.974848 6.448713 4.284040 4.309002 7.044417 6.882271 2.834358 1.874489 3.079253 6.970320 7.898671 6.513617 6.134250 5.836247 5.476328 4.354656 4.256348 5.303433 6.760955 6.409456 6.121511 2.733796 3.174864 3.030038 5.420291 4.447124 5.826340 4.435816 3.669818 4.243865 0.000000 5.682514 6.472643 6.760971 5.096388 4.884658 5.013250 7.778503 5.554450 5.957142 7.056718 6.940770 4.714204 7.303886 5.179652 5.182626 7.959283 7.784780 3.427410 2.477966 3.774174 7.810035 8.737898 7.365991 6.892835 6.500486 6.284191 5.039817 5.062617 5.967903 7.719108 7.368134 7.062911 3.205550 3.721856 3.650451 5.853952 4.893427 6.217773 5.060169 4.307326 4.902911 0.965147 0.000000 4.302880 5.274422 5.272207 3.744770 3.558391 4.088640 6.608249 5.028208 5.193193 6.203979 6.236143 4.237679 6.281864 4.519363 4.596742 6.758429 6.466156 2.979195 2.164464 2.914278 6.331931 7.241782 5.854360 6.440501 6.236003 5.781754 3.653782 3.614753 4.563580 6.682936 6.256533 6.158007 1.753722 2.245491 2.171255 5.964194 4.990502 6.281043 4.294484 3.699294 3.892179 0.988699 1.561418 0.000000 5.185419 5.672698 6.251298 3.975319 5.267745 2.924388 5.422072 4.712005 5.112730 4.083837 3.744703 4.404038 4.550999 2.797928 3.340542 5.551920 5.728348 4.373127 3.654608 4.562866 6.455752 7.400052 6.286788 3.589082 3.141171 3.157144 4.276724 4.105678 5.167791 5.545356 5.598578 4.732893 4.472420 4.320769 4.645972 2.775013 1.825908 3.228806 2.754877 1.770418 3.159005 2.754755 3.380474 3.228306 0.000000 4.975879 5.581096 6.087179 3.920135 4.799523 3.201840 5.902105 4.625017 5.030779 4.842419 4.600936 4.123372 5.202682 3.218048 3.554711 6.061800 6.104833 3.729452 2.900586 3.956584 6.595463 7.551047 6.320763 4.503725 4.107499 3.970081 4.158650 4.024107 5.107757 5.952260 5.849191 5.189471 3.766620 3.778486 3.997931 3.667862 2.695420 4.094119 3.209352 2.271667 3.370796 1.780828 2.411005 2.336103 0.982306 0.000000 2.009829 2.721734 2.562606 3.178431 0.964825 4.539828 5.894076 4.364587 3.780711 7.392134 7.509130 3.894793 6.846211 5.252953 4.925394 6.341758 5.813426 3.294958 3.796807 2.348726 5.216012 5.743360 4.281807 7.813804 8.148226 6.947990 4.739325 4.078435 5.134656 5.523102 4.629831 5.574118 3.420054 3.826944 2.459330 8.764865 7.938195 9.217338 6.677795 6.393516 5.979143 4.874416 5.557171 4.288399 6.212110 5.706947 0.000000 4.602023 4.902850 5.731691 3.429927 4.831808 2.080454 4.730873 3.868867 4.250181 3.833100 3.377900 3.694094 4.148968 1.828879 2.386473 4.999772 5.241844 3.996235 3.458274 4.151565 6.096700 7.009394 5.869648 3.071389 2.846483 2.435871 4.339840 3.953320 5.198001 4.656293 4.718643 3.813631 4.599164 4.470477 4.565425 3.026021 2.229731 3.624113 3.075393 2.185848 3.397472 3.079515 3.853327 3.500059 0.979810 1.558540 5.773277 0.000000 5.296357 5.847344 5.696849 3.889718 6.082930 3.364784 3.509390 6.296465 6.235496 1.032699 1.640882 6.344612 1.685106 3.673415 4.639344 3.074695 3.346416 6.654662 6.192828 6.379872 4.413115 5.226278 4.749006 2.970849 3.081938 3.106971 3.448946 3.368449 3.797862 4.674750 5.034751 4.242619 5.603213 4.894646 5.696317 3.800352 3.533238 3.642332 1.517842 2.013473 2.025285 5.470890 6.213923 5.372683 3.410772 4.092196 6.991006 3.347185 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4216,.4734,.3244;-2.4212,.6893,1.7383;-3.0205,1.613,-.2827;-1.0486,.4261,-.0967;-3.0469,-.7548,-.0614;.3925,-.0784,.9565;.4985,2.9483,.9988;-1.0158,-1.5635,3.1092;-1.5802,-.7941,2.9402;2.8543,1.9562,-.5611;3.1748,1.4536,.2735;-1.2991,-2.2077,2.4199;2.019,2.5035,-.2949;.9986,-.4594,1.6138;.3966,-.9256,2.2407;.8532,3.3427,.1702;.1078,3.3452,-.4722;-1.939,-3.1034,1.017;-1.2758,-3.3514,.3434;-2.3802,-2.3186,.6332;-1.2532,3.3766,-1.621;-1.6657,4.2496,-1.6053;-1.9038,2.7853,-1.2061;3.5606,.576,1.4888;4.0563,-.1688,1.0791;2.6793,.1978,1.6902;-.4221,.5398,-2.7882;-.6822,.6741,-1.8601;-.6498,1.3688,-3.2293;-.013,2.1571,2.5357;-.9008,1.8131,2.3483;.5471,1.3646,2.4804;-1.9443,-1.8464,-2.4491;-1.4501,-1.0768,-2.7862;-2.4031,-1.497,-1.6593;4.716,-1.5873,.1636;3.8442,-1.8916,-.1603;5.1724,-1.2577,-.6206;2.2397,.0836,-2.1776;2.1739,-.712,-1.5976;1.3228,.2483,-2.4881;-.1789,-3.4956,-1.1697;-.1288,-4.3521,-1.6119;-.779,-2.9368,-1.722;2.0463,-2.0451,-.4396;1.3179,-2.6326,-.7381;-4.006,-.7303,.041;1.6957,-1.5823,.3496;2.5821,1.2269,-1.2398; 0.2370790 0.1978303 0.1708752 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 598 RedAO= T EigKep= 9.74D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 616 616 616 616 616 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.94425837280 -1471.94425837 1 1.467081636738e+03 -7.782090987473e+03 2.692753720558e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT36385.900S Fri Jul 19 05:36:49 2024 -24.65995 -24.65161 -24.65102 -19.16612 -19.13766 -19.13305 -19.12992 -19.12949 -19.12856 -19.12681 -19.12525 -19.12476 -19.12379 -19.12361 -19.12072 -19.12033 -19.11960 -19.11432 -6.86364 -1.20865 -1.16718 -1.16115 -1.07090 -1.03095 -1.02959 -1.02557 -1.02261 -1.02029 -1.01714 -1.01643 -1.01310 -1.00942 -1.00584 -1.00319 -1.00141 -0.99665 -0.99419 -0.58831 -0.56934 -0.56121 -0.54987 -0.54742 -0.54523 -0.54136 -0.53904 -0.53693 -0.53589 -0.53340 -0.53225 -0.52969 -0.52861 -0.52408 -0.52075 -0.51940 -0.50611 -0.50090 -0.44835 -0.44524 -0.43745 -0.43424 -0.42649 -0.42576 -0.42395 -0.41300 -0.41204 -0.40992 -0.40510 -0.40477 -0.40235 -0.39808 -0.39361 -0.39242 -0.38940 -0.38313 -0.37859 -0.37505 -0.35950 -0.33653 -0.33248 -0.33114 -0.33075 -0.32843 -0.32733 -0.32696 -0.32600 -0.32374 -0.32338 -0.32136 -0.32040 -0.32004 -0.31396 -0.00940 0.01735 0.01790 0.02172 0.04038 0.05452 0.06429 0.06700 0.07074 0.07584 0.09336 0.09908 0.10149 0.10492 0.10940 0.11076 0.11504 0.12812 0.13008 0.13409 0.13812 0.14239 0.14639 0.15076 0.15263 0.15479 0.15618 0.15908 0.16185 0.17161 0.17490 0.17847 0.18090 0.18472 0.18723 0.19163 0.19448 0.19756 0.20118 0.20436 0.20770 0.21312 0.21396 0.21718 0.21821 0.22501 0.22617 0.22743 0.23340 0.23666 0.24131 0.24276 0.24684 0.24892 0.25341 0.25686 0.25749 0.26121 0.26523 0.26632 0.26800 0.27471 0.27568 0.27900 0.28152 0.28424 0.28606 0.28872 0.29228 0.29418 0.29524 0.30354 0.30534 0.30654 0.30866 0.31355 0.31807 0.32222 0.32348 0.32879 0.33821 0.34056 0.34413 0.36305 0.37082 0.37977 0.38422 0.38645 0.39948 0.40158 0.41579 0.42364 0.43285 0.43990 0.45082 0.45500 0.46362 0.47357 0.47567 0.48830 0.50083 0.50571 0.50965 0.51433 0.51519 0.52642 0.53092 0.53555 0.53783 0.54013 0.54972 0.55580 0.55671 0.56449 0.56923 0.58297 0.58629 0.58826 0.59613 0.59954 0.60393 0.60758 0.61431 0.62359 0.63236 0.63739 0.64270 0.64669 0.65134 0.65450 0.66025 0.67278 0.67475 0.67597 0.68224 0.69389 0.70297 0.70712 0.71612 0.71932 0.72919 0.74440 0.76379 0.81934 0.94380 0.94999 0.95847 0.96186 0.96868 0.97673 0.98010 0.99059 0.99370 0.99561 1.00681 1.01103 1.01287 1.02091 1.02892 1.03622 1.04152 1.04971 1.05274 1.05453 1.06227 1.06722 1.07276 1.08003 1.08844 1.09004 1.09168 1.09640 1.10004 1.11002 1.11420 1.11982 1.12214 1.12522 1.13308 1.13600 1.14296 1.14930 1.15225 1.15858 1.16403 1.17702 1.18349 1.19436 1.19988 1.20381 1.22035 1.23607 1.25280 1.26638 1.26985 1.27385 1.28302 1.28889 1.29651 1.29898 1.31314 1.31942 1.32574 1.32806 1.33398 1.33645 1.34866 1.35290 1.35866 1.36796 1.37826 1.37948 1.38755 1.39324 1.39655 1.40450 1.40704 1.41149 1.41965 1.42849 1.43128 1.43593 1.45267 1.45521 1.46289 1.47145 1.47462 1.48534 1.49278 1.49579 1.50799 1.51514 1.51833 1.52842 1.53155 1.54150 1.54769 1.55495 1.55977 1.56826 1.57044 1.58610 1.58696 1.59836 1.60287 1.60583 1.62374 1.62897 1.63686 1.64059 1.65123 1.66594 1.67564 1.68084 1.69103 1.69508 1.70101 1.71139 1.73252 1.74139 1.75118 1.75392 1.76225 1.76714 1.77477 1.78479 1.78778 1.80747 1.81468 1.83107 1.83858 1.83940 1.84883 1.85976 1.87237 1.89005 1.89558 2.01163 2.01946 2.03112 2.04503 2.05649 2.07002 2.10286 2.11940 2.13666 2.16789 2.20689 2.21364 2.22555 2.24001 2.24553 2.25966 2.26714 2.27655 2.28747 2.28936 2.31584 2.32450 2.33170 2.34436 2.35166 2.37151 2.38110 2.39082 2.40407 2.42319 2.43305 2.44504 2.46721 2.48366 2.50245 2.52007 2.53284 2.58016 2.58831 2.61085 2.61990 2.65820 2.68514 2.69295 2.70076 2.70632 2.71380 2.72252 2.72793 2.73655 2.74902 2.74922 2.76842 2.76998 2.78208 2.78535 2.79915 2.81463 2.81718 2.82497 2.84024 2.86029 2.88273 2.88534 2.89578 2.93850 2.95997 3.07424 3.08097 3.08349 3.09259 3.09351 3.09636 3.10175 3.10622 3.11397 3.12064 3.12197 3.13065 3.13144 3.13749 3.13985 3.14287 3.14569 3.15109 3.15825 3.16169 3.16473 3.17004 3.17246 3.18264 3.18512 3.19924 3.21158 3.23262 3.23654 3.29481 3.29868 3.30945 3.31137 3.31423 3.32163 3.32927 3.34228 3.34931 3.35261 3.36053 3.36845 3.37206 3.38008 3.43048 3.53361 3.53825 3.68593 3.69489 3.70220 3.70971 3.71646 3.72109 3.72448 3.72888 3.74753 3.75496 3.75687 3.77851 3.78645 3.80634 3.81823 3.82946 3.85136 3.85364 3.85991 3.88114 3.88871 3.89998 3.90605 3.91565 3.92055 3.92243 3.93126 3.93651 3.94541 3.94694 3.95095 3.95393 3.95617 3.95910 3.97627 3.98093 4.00697 4.01683 4.09552 4.20736 4.22552 4.35613 4.65286 4.68374 4.98840 5.00172 5.02374 5.02773 5.02986 5.03843 5.04949 5.05860 5.06381 5.07627 5.08881 5.10607 5.13674 5.16908 5.19797 5.33480 5.37310 5.37414 5.40664 5.41828 5.42829 5.43047 5.44314 5.45015 5.47920 5.49634 5.51353 5.52709 5.57290 5.59652 5.64242 5.64475 5.65497 5.65592 5.67355 5.68882 5.70363 5.71914 5.73095 5.73662 5.75177 5.76386 5.78169 5.78739 5.79978 6.36286 6.40029 6.42133 6.47050 6.54417 6.56198 6.62137 6.68412 6.76766 14.57235 49.87697 49.89705 49.90030 49.91095 49.92112 49.92348 49.92802 49.93165 49.94587 49.94793 49.95204 49.96637 49.97431 49.97512 49.99745 66.84565 66.86411 66.88052 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 0.925758 -0.437614 -0.394374 -0.419706 -0.800570 0.314314 0.421270 -0.700832 0.305982 -0.678747 0.467036 0.380249 0.526275 -0.787818 0.476824 -0.842303 0.434115 -0.733750 0.369598 0.363755 -0.691224 0.336321 0.330139 -0.743359 0.407023 0.348723 -0.655762 0.304359 0.338196 -0.660567 0.317822 0.332434 -0.698192 0.345451 0.362472 -0.682052 0.369079 0.305283 -0.812577 0.410996 0.430358 -0.755533 0.346796 0.400985 -0.833893 0.465708 0.333079 0.370400 0.488074 -0.00000 -2.4906 1.4228 -7.7082 8.2246 -135.7556 -130.5090 -148.6679 -13.4497 -4.4468 -0.0183 2.5552 7.8018 -10.3570 -13.4497 -4.4468 -0.0183 -88.2153 0.4551 -69.7269 -38.3680 27.1855 -47.9636 -3.5385 26.0530 -101.7357 15.1513 -3771.9866 -2675.9878 -2387.7084 61.7904 -295.6992 -339.8793 59.1198 17.6742 -32.8810 -1330.6640 -1135.4169 -907.0288 18.8625 50.0769 -124.7491 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CABRERA LAMSABHI 19-Jul-2024 0 Wavefunction 15-agua-BF3/CONF41 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.9442584 RMSD=2.034e-09 Dipole=-1.8473949,0.269697,-2.6428772 Quadrupole=-3.9097918,7.3652807,-3.4554888,-2.6130311,-2.7577658,10.1992443 PG=C01 [X(B1F3H30O15)] 0 1.4730651804 -0.8575471407 -1.7330560718 0 2.4457826099 -1.496244482 -0.901275167 0 1.0015120481 -1.827038196 -2.6623973362 0 0.3699525423 -0.4904617965 -0.8886480926 0 1.9609039134 0.3290514989 -2.3673256351 0 0.466160346 -0.1376161203 0.9298562515 0 -0.5625154148 -2.983728394 0.8052579088 0 3.3738004181 0.3987862533 1.2147325592 0 3.327406844 -0.3524718885 0.6042725293 0 -2.7733473921 -1.2386323736 1.8223457151 0 -2.1799584511 -0.9777901825 2.6170961342 0 3.2437942365 1.1774327291 0.625529471 0 -2.2657364484 -1.9530474614 1.2744185746 0 0.7205226271 0.1036284624 1.8363414071 0 1.6912880297 0.2645045742 1.7690562241 0 -1.5130209438 -3.0497677535 0.5601266349 0 -1.5496673344 -2.9589663254 -0.4190389087 0 2.8794522461 2.3624170996 -0.6562254356 0 2.0736858358 2.8964778956 -0.5129673181 0 2.5969312186 1.6801802345 -1.2986243341 0 -1.6077062807 -2.8259004758 -2.1943834019 0 -1.6411032244 -3.7101645622 -2.5810824032 0 -0.7236615775 -2.4887876799 -2.4178263036 0 -1.2202681866 -0.4720944699 3.7213174413 0 -1.5689359576 0.4245257115 3.9280037488 0 -0.4284051036 -0.3021965163 3.1696538475 0 -2.0234729958 0.319696523 -2.013079178 0 -1.2293983536 -0.1291072062 -1.6738830622 0 -2.4884957685 -0.3565012153 -2.5232220883 0 1.133999055 -2.7844695265 1.3811483661 0 1.6313571385 -2.5279174658 0.5884119225 0 1.0248869055 -1.943100104 1.8554236148 0 -0.0911586735 2.246557621 -2.8370444095 0 -0.8844354185 1.6957323097 -2.7053221986 0 0.6468047895 1.6101201455 -2.7556568748 0 -2.1655358247 2.1339215248 4.0140374636 0 -1.7914858097 2.3975886085 3.1490729344 0 -3.1217355324 2.1295305277 3.8815556301 0 -2.9882116332 0.9348482447 0.5082229441 0 -2.2590538649 1.4956185219 0.8653942544 0 -2.7323835165 0.7467048337 -0.4209197784 0 0.3585470648 3.6524406441 -0.53597979 0 0.2848466702 4.6015360199 -0.6950243032 0 0.1195512252 3.2123462558 -1.3884608487 0 -0.8895083598 2.3753567887 1.5616586699 0 -0.4876935569 2.9177476039 0.8480186924 0 2.5926318096 0.1396543292 -3.0715529548 0 -0.2529657155 1.6475197016 1.7200691628 0 -2.8739793304 -0.381664799 1.25494212 Gaussian 16 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.4731,-.8575,-1.7331;2.4458,-1.4962,-.9013;1.0015,-1.827,-2.6624;.37,-.4905,-.8886;1.9609,.3291,-2.3673;.4662,-.1376,.9299;-.5625,-2.9837,.8053;3.3738,.3988,1.2147;3.3274,-.3525,.6043;-2.7733,-1.2386,1.8223;-2.18,-.9778,2.6171;3.2438,1.1774,.6255;-2.2657,-1.953,1.2744;.7205,.1036,1.8363;1.6913,.2645,1.7691;-1.513,-3.0498,.5601;-1.5497,-2.959,-.419;2.8795,2.3624,-.6562;2.0737,2.8965,-.513;2.5969,1.6802,-1.2986;-1.6077,-2.8259,-2.1944;-1.6411,-3.7102,-2.5811;-.7237,-2.4888,-2.4178;-1.2203,-.4721,3.7213;-1.5689,.4245,3.928;-.4284,-.3022,3.1697;-2.0235,.3197,-2.0131;-1.2294,-.1291,-1.6739;-2.4885,-.3565,-2.5232;1.134,-2.7845,1.3811;1.6314,-2.5279,.5884;1.0249,-1.9431,1.8554;-.0912,2.2466,-2.837;-.8844,1.6957,-2.7053;.6468,1.6101,-2.7557;-2.1655,2.1339,4.014;-1.7915,2.3976,3.1491;-3.1217,2.1295,3.8816;-2.9882,.9348,.5082;-2.2591,1.4956,.8654;-2.7324,.7467,-.4209;.3585,3.6524,-.536;.2848,4.6015,-.695;.1196,3.2123,-1.3885;-.8895,2.3754,1.5617;-.4877,2.9177,.848;2.5926,.1397,-3.0716;-.253,1.6475,1.7201;-2.874,-.3817,1.2549; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF41/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=W 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 15-agua-BF3/ CONF41 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1125 A 1011 A 1011 1432 1125 91 91 2150.3575871184 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0609015964 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.430375 0.000000 1.423359 2.301498 0.000000 1.436883 2.306692 2.309002 0.000000 1.431189 2.390840 2.378281 2.321468 0.000000 2.936539 3.019572 4.005625 1.854916 3.650130 0.000000 3.886808 3.764933 3.976022 3.155185 5.235212 3.028870 0.000000 3.725671 2.988285 5.061046 3.773337 3.851270 2.970396 5.206117 0.000000 3.026019 2.086181 4.272618 3.315779 3.340988 2.887715 4.700575 0.969125 0.000000 5.551408 5.892690 5.891409 4.217770 6.513380 3.535984 2.994596 6.390443 6.283963 0.000000 5.681801 5.834827 6.222221 4.362313 6.610525 3.248787 3.150027 5.891165 5.896911 1.025562 0.000000 3.583232 3.180645 4.986496 3.651516 3.364928 3.088239 5.642301 0.985065 1.532335 6.593613 6.166718 0.000000 4.921754 5.209676 5.117549 3.710104 6.027833 3.298147 2.045330 6.110570 5.856124 1.033577 1.661706 6.369921 0.000000 3.772370 3.609801 4.903578 2.810945 4.388642 0.971913 3.498727 2.741058 2.919224 3.742858 3.192465 2.997669 3.669253 0.000000 3.683940 3.286361 4.948548 3.062563 4.145662 1.538472 4.069343 1.776557 2.101015 4.711181 4.153194 2.133393 4.562921 0.986303 0.000000 4.356745 4.496805 4.266451 3.492075 5.661674 3.540408 0.983825 6.016814 5.541398 2.542013 2.994832 6.364023 1.509831 4.069564 4.765869 0.000000 3.908902 4.282024 3.580843 3.162118 5.189508 3.720631 1.572891 6.179340 5.623774 3.079082 3.679734 6.417024 2.095812 4.429446 5.067772 0.984049 0.000000 3.675005 3.890680 5.010282 3.806642 2.811791 3.819660 6.524136 2.756939 3.026572 7.145979 6.889794 1.783207 6.987388 3.996998 3.419790 7.075668 6.927516 0.000000 3.992752 4.425522 5.299171 3.809882 3.169076 3.724460 6.577545 3.303590 3.657283 6.785761 6.549866 2.370748 6.748572 3.892340 3.504446 7.026652 6.886490 0.977243 0.000000 2.809247 3.204747 4.087275 3.136750 1.836356 3.579203 6.013357 2.926168 2.878591 6.862930 6.724310 2.091305 6.592908 3.979251 3.497855 6.535983 6.284078 0.978745 1.539618 0.000000 3.684887 4.457677 2.832805 3.327214 4.766404 4.613965 3.180437 6.843689 6.189157 4.473506 5.185877 6.893159 3.636958 5.499957 6.011890 2.765214 1.781270 7.029876 7.008953 6.227851 0.000000 4.307507 4.942250 3.245950 4.156340 5.416218 5.434184 3.627446 7.512719 6.790190 5.175000 5.897228 7.617952 4.282816 6.295707 6.769530 3.212433 2.290653 7.811322 7.856493 6.975776 0.965699 0.000000 2.820543 3.651088 1.863854 2.743663 3.892256 4.260359 3.264844 6.190538 5.487083 4.872695 5.454756 6.200314 4.037039 5.186929 5.562606 3.131452 2.213257 6.294430 6.360403 5.446030 0.972166 1.536266 0.000000 6.095310 5.988086 6.893765 4.876569 6.916160 3.278441 3.904401 5.305362 5.514674 2.570161 1.547914 5.677385 3.045249 2.766091 3.582047 4.089405 4.841032 6.633630 6.334554 6.663566 6.378560 7.098059 6.480953 0.000000 6.553250 6.567287 7.423620 5.272251 7.218037 3.666948 4.730816 5.638541 5.968676 2.941173 2.014527 5.885200 3.630413 3.117635 3.913531 4.839053 5.508645 6.675233 6.253116 6.800644 6.931839 7.711619 7.033594 0.983980 0.000000 5.287775 5.124370 6.195371 4.140366 6.063449 2.417442 3.577564 4.332420 4.548608 2.861976 1.956958 4.706051 3.113360 1.806226 2.603060 3.941468 4.603734 5.716593 5.482123 5.748738 6.044231 6.793810 6.007353 0.979921 1.550494 0.000000 3.700013 4.950555 3.765716 2.765716 4.000105 3.881788 4.581489 6.289323 5.994519 4.207278 4.811079 5.953324 4.003960 4.732255 5.301608 4.270274 3.676287 5.482010 5.067233 4.869240 3.178131 4.087617 3.121044 5.844260 5.959367 5.458179 0.000000 2.799542 3.996616 2.972725 1.817992 3.296786 3.107161 3.839236 5.460056 5.099447 3.979754 4.476196 5.196518 3.618458 4.022193 4.532016 3.688021 3.112123 4.911820 4.627338 4.249134 2.772496 3.717053 2.525334 5.406100 5.639409 4.912372 0.973156 0.000000 4.070550 5.317596 3.789723 3.295528 4.504603 4.549907 4.657306 6.993517 6.603481 4.443338 5.186913 6.717644 4.125610 5.432800 6.023279 4.208595 3.475890 6.300243 5.952856 5.613313 2.642321 3.459549 2.769909 6.373071 6.563072 6.054400 0.966300 1.535712 0.000000 3.677807 2.930829 4.157462 3.316356 4.942554 2.766859 1.802641 3.895834 3.365886 4.225118 3.971646 4.551798 3.501550 2.952842 3.123666 2.784093 3.236231 5.804131 6.061670 5.408738 4.505895 4.925178 4.239167 4.045497 4.908154 3.435337 5.579091 4.687197 5.853342 0.000000 2.864334 1.986657 3.384627 2.814973 4.123986 2.681009 2.251191 3.463233 2.758514 4.752502 4.587437 4.041157 3.998552 3.051554 3.032348 3.187513 3.364473 5.198292 5.552725 4.711828 4.280686 4.706634 3.819046 4.708850 5.487410 3.982369 5.313609 4.365340 5.600938 0.970369 0.000000 3.775775 3.133371 4.519372 3.173173 4.885736 2.104429 2.169240 3.378211 3.065465 3.863153 3.432638 4.021681 3.341537 2.069323 2.307611 3.056711 3.582387 5.318390 5.489150 5.054454 4.910277 5.469242 4.649286 3.268966 4.077886 2.555743 5.420153 4.563812 5.833840 0.971980 1.521557 0.000000 3.647061 4.918520 4.221210 3.391187 2.847530 4.492708 6.390965 5.642437 5.503109 6.407074 6.671368 4.924871 6.266546 5.204950 5.321824 6.450855 5.922118 3.686994 3.241957 3.148547 5.333176 6.160388 4.795758 7.188746 7.160273 6.533782 2.850535 2.879638 3.552693 6.678727 6.123432 6.388900 0.000000 3.608649 4.953146 3.996067 3.106966 3.174589 4.289499 5.858768 5.931397 5.734821 5.716490 6.095428 5.329680 5.573143 5.073203 5.357502 5.794657 5.228369 4.337063 3.872814 3.754857 4.607531 5.460009 4.197465 6.790726 6.788632 6.222140 1.915746 2.124360 2.611098 6.391051 5.917526 6.138975 0.974704 0.000000 2.796033 4.040366 3.456671 2.823971 1.875845 4.082918 5.936835 4.966672 4.725095 6.385213 6.599572 4.285323 6.117235 4.833363 4.834734 6.113413 5.582188 3.155674 2.953026 2.435333 5.007607 5.793999 4.335130 7.054982 7.140480 6.318413 3.057286 2.777640 3.708333 6.054993 5.410683 5.833557 0.977889 1.534457 0.000000 7.430840 7.655238 8.384162 6.111662 7.810689 4.647352 6.249502 6.444459 6.926837 4.067809 3.410924 6.454278 4.921267 4.146539 4.838362 6.263059 6.780042 6.878624 6.248701 7.149220 7.965896 8.827456 8.050920 2.787568 1.812558 3.108903 6.295850 6.192745 7.003019 6.481482 6.919830 5.608967 7.159124 6.854416 7.349312 0.000000 6.714789 7.037166 7.708534 5.414411 6.984979 4.055755 5.996867 5.866606 6.343651 3.993289 3.439054 5.762907 4.761016 3.646327 4.310940 6.037705 6.440697 6.024881 5.347802 6.289268 7.474700 8.376273 7.483802 2.981415 2.132894 3.024442 5.569494 5.473668 6.343955 6.207878 6.521767 5.333579 6.224751 5.965676 6.436707 0.978569 0.000000 7.845935 8.186512 8.687861 6.466149 8.253694 5.169669 6.492968 7.231833 7.648030 3.963110 3.484429 7.213055 4.919079 4.801055 5.577291 6.359637 6.845386 7.527280 6.847806 7.729122 7.985338 8.835157 8.170792 3.226408 2.306596 3.697855 6.263258 6.288504 6.899458 6.964963 7.424857 6.155161 7.371409 6.969982 7.650116 0.965344 1.542060 0.000000 5.304621 6.117613 5.796442 3.906408 5.755824 3.641516 4.618168 6.423528 6.446197 2.548942 2.959528 6.237829 3.073917 4.026107 4.892523 4.249241 4.253354 6.150071 5.523914 5.917266 4.832505 5.738872 5.040956 3.927988 3.737603 3.894368 2.768772 2.997835 3.332710 5.620315 5.773872 5.118837 4.615659 3.915570 4.931759 3.795432 3.247438 3.581127 0.000000 5.120356 5.848748 5.840946 3.732674 5.442371 3.177798 4.790241 5.749272 5.890006 2.942173 3.031908 5.517256 3.472844 3.429031 4.235262 4.616307 4.690024 5.428712 4.757617 5.319552 5.334981 6.273774 5.386322 3.620396 3.317089 3.448627 3.118317 3.185570 3.868554 5.486161 5.603647 4.856873 4.355655 3.831401 4.644258 3.214052 2.499472 3.200515 0.986765 0.000000 4.688403 5.663477 5.058691 3.372512 5.098027 3.582918 4.486421 6.331026 6.243418 2.995911 3.536750 6.082375 3.221893 4.175085 4.959575 4.106398 3.889835 5.844536 5.265767 5.481180 4.144102 5.071576 4.300118 4.574942 4.513374 4.393260 1.794397 2.143812 2.386675 5.537649 5.548345 5.151104 3.881145 3.087727 4.197070 4.681296 4.044200 4.535978 0.981913 1.561895 0.000000 4.797409 5.567670 5.912677 4.157902 4.119016 4.065069 6.832716 4.768964 5.114062 6.268417 6.150198 3.974848 6.448713 4.284040 4.309002 7.044417 6.882271 2.834358 1.874489 3.079253 6.970320 7.898671 6.513617 6.134250 5.836247 5.476328 4.354656 4.256348 5.303433 6.760955 6.409456 6.121511 2.733796 3.174864 3.030038 5.420291 4.447124 5.826340 4.435816 3.669818 4.243865 0.000000 5.682514 6.472643 6.760971 5.096388 4.884658 5.013250 7.778503 5.554450 5.957142 7.056718 6.940770 4.714204 7.303886 5.179652 5.182626 7.959283 7.784780 3.427410 2.477966 3.774174 7.810035 8.737898 7.365991 6.892835 6.500486 6.284191 5.039817 5.062617 5.967903 7.719108 7.368134 7.062911 3.205550 3.721856 3.650451 5.853952 4.893427 6.217773 5.060169 4.307326 4.902911 0.965147 0.000000 4.302880 5.274422 5.272207 3.744770 3.558391 4.088640 6.608249 5.028208 5.193193 6.203979 6.236143 4.237679 6.281864 4.519363 4.596742 6.758429 6.466156 2.979195 2.164464 2.914278 6.331931 7.241782 5.854360 6.440501 6.236003 5.781754 3.653782 3.614753 4.563580 6.682936 6.256533 6.158007 1.753722 2.245491 2.171255 5.964194 4.990502 6.281043 4.294484 3.699294 3.892179 0.988699 1.561418 0.000000 5.185419 5.672698 6.251298 3.975319 5.267745 2.924388 5.422072 4.712005 5.112730 4.083837 3.744703 4.404038 4.550999 2.797928 3.340542 5.551920 5.728348 4.373127 3.654608 4.562866 6.455752 7.400052 6.286788 3.589082 3.141171 3.157144 4.276724 4.105678 5.167791 5.545356 5.598578 4.732893 4.472420 4.320769 4.645972 2.775013 1.825908 3.228806 2.754877 1.770418 3.159005 2.754755 3.380474 3.228306 0.000000 4.975879 5.581096 6.087179 3.920135 4.799523 3.201840 5.902105 4.625017 5.030779 4.842419 4.600936 4.123372 5.202682 3.218048 3.554711 6.061800 6.104833 3.729452 2.900586 3.956584 6.595463 7.551047 6.320763 4.503725 4.107499 3.970081 4.158650 4.024107 5.107757 5.952260 5.849191 5.189471 3.766620 3.778486 3.997931 3.667862 2.695420 4.094119 3.209352 2.271667 3.370796 1.780828 2.411005 2.336103 0.982306 0.000000 2.009829 2.721734 2.562606 3.178431 0.964825 4.539828 5.894076 4.364587 3.780711 7.392134 7.509130 3.894793 6.846211 5.252953 4.925394 6.341758 5.813426 3.294958 3.796807 2.348726 5.216012 5.743360 4.281807 7.813804 8.148226 6.947990 4.739325 4.078435 5.134656 5.523102 4.629831 5.574118 3.420054 3.826944 2.459330 8.764865 7.938195 9.217338 6.677795 6.393516 5.979143 4.874416 5.557171 4.288399 6.212110 5.706947 0.000000 4.602023 4.902850 5.731691 3.429927 4.831808 2.080454 4.730873 3.868867 4.250181 3.833100 3.377900 3.694094 4.148968 1.828879 2.386473 4.999772 5.241844 3.996235 3.458274 4.151565 6.096700 7.009394 5.869648 3.071389 2.846483 2.435871 4.339840 3.953320 5.198001 4.656293 4.718643 3.813631 4.599164 4.470477 4.565425 3.026021 2.229731 3.624113 3.075393 2.185848 3.397472 3.079515 3.853327 3.500059 0.979810 1.558540 5.773277 0.000000 5.296357 5.847344 5.696849 3.889718 6.082930 3.364784 3.509390 6.296465 6.235496 1.032699 1.640882 6.344612 1.685106 3.673415 4.639344 3.074695 3.346416 6.654662 6.192828 6.379872 4.413115 5.226278 4.749006 2.970849 3.081938 3.106971 3.448946 3.368449 3.797862 4.674750 5.034751 4.242619 5.603213 4.894646 5.696317 3.800352 3.533238 3.642332 1.517842 2.013473 2.025285 5.470890 6.213923 5.372683 3.410772 4.092196 6.991006 3.347185 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4216,.4734,.3244;-2.4212,.6893,1.7383;-3.0205,1.613,-.2827;-1.0486,.4261,-.0967;-3.0469,-.7548,-.0614;.3925,-.0784,.9565;.4985,2.9483,.9988;-1.0158,-1.5635,3.1092;-1.5802,-.7941,2.9402;2.8543,1.9562,-.5611;3.1748,1.4536,.2735;-1.2991,-2.2077,2.4199;2.019,2.5035,-.2949;.9986,-.4594,1.6138;.3966,-.9256,2.2407;.8532,3.3427,.1702;.1078,3.3452,-.4722;-1.939,-3.1034,1.017;-1.2758,-3.3514,.3434;-2.3802,-2.3186,.6332;-1.2532,3.3766,-1.621;-1.6657,4.2496,-1.6053;-1.9038,2.7853,-1.2061;3.5606,.576,1.4888;4.0563,-.1688,1.0791;2.6793,.1978,1.6902;-.4221,.5398,-2.7882;-.6822,.6741,-1.8601;-.6498,1.3688,-3.2293;-.013,2.1571,2.5357;-.9008,1.8131,2.3483;.5471,1.3646,2.4804;-1.9443,-1.8464,-2.4491;-1.4501,-1.0768,-2.7862;-2.4031,-1.497,-1.6593;4.716,-1.5873,.1636;3.8442,-1.8916,-.1603;5.1724,-1.2577,-.6206;2.2397,.0836,-2.1776;2.1739,-.712,-1.5976;1.3228,.2483,-2.4881;-.1789,-3.4956,-1.1697;-.1288,-4.3521,-1.6119;-.779,-2.9368,-1.722;2.0463,-2.0451,-.4396;1.3179,-2.6326,-.7381;-4.006,-.7303,.041;1.6957,-1.5823,.3496;2.5821,1.2269,-1.2398; 0.2370790 0.1978303 0.1708752 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 1011 RedAO= T EigKep= 3.18D-05 NBF= 1011 NBsUse= 1011 1.00D-06 EigRej= -1.00D+00 NBFU= 1011 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1106 1106 1106 1106 1106 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.95572540671 -1472.00590214214 -0.050176735425 -1472.00611513529 -0.000212993150 -1472.00627114300 -0.000156007704 -1472.00628314030 -0.000011997301 -1472.00628423335 -0.000001093058 -1472.00628426351 -0.000000030161 -1472.00628427587 -0.000000012360 -1472.00628427593 -0.000000000055 -1472.00628428 9 1.466912274279e+03 -7.782781083679e+03 2.693551153321e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15096934256 LenY= 15095667506 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT7381.400S Fri Jul 19 05:45:20 2024 -24.65779 -24.64957 -24.64900 -19.16559 -19.13739 -19.13266 -19.12932 -19.12915 -19.12825 -19.12665 -19.12506 -19.12354 -19.12328 -19.12285 -19.12039 -19.12014 -19.11941 -19.11406 -6.85369 -1.20492 -1.16425 -1.15816 -1.06986 -1.02984 -1.02840 -1.02437 -1.02142 -1.01908 -1.01583 -1.01514 -1.01146 -1.00803 -1.00467 -1.00202 -1.00020 -0.99556 -0.99286 -0.58499 -0.56825 -0.56014 -0.54844 -0.54579 -0.54374 -0.53984 -0.53784 -0.53510 -0.53468 -0.53206 -0.53106 -0.52840 -0.52733 -0.52272 -0.51958 -0.51775 -0.50350 -0.49821 -0.44775 -0.44418 -0.43719 -0.43349 -0.42588 -0.42530 -0.42347 -0.41290 -0.41183 -0.40996 -0.40486 -0.40448 -0.40186 -0.39776 -0.39354 -0.39220 -0.38925 -0.38285 -0.37772 -0.37497 -0.35853 -0.33663 -0.33260 -0.33126 -0.33079 -0.32854 -0.32729 -0.32702 -0.32568 -0.32390 -0.32358 -0.32152 -0.32049 -0.32006 -0.31408 -0.00975 0.01672 0.01731 0.02107 0.03953 0.05305 0.06293 0.06524 0.06958 0.07481 0.09146 0.09762 0.10012 0.10294 0.10790 0.10903 0.11364 0.12651 0.12807 0.13224 0.13556 0.14071 0.14385 0.14879 0.15028 0.15321 0.15363 0.15628 0.15938 0.16937 0.17211 0.17580 0.17827 0.18061 0.18215 0.18693 0.19087 0.19533 0.19698 0.19985 0.20344 0.20896 0.20986 0.21130 0.21290 0.22061 0.22137 0.22255 0.22890 0.23279 0.23512 0.23796 0.24138 0.24561 0.24776 0.25032 0.25235 0.25695 0.26014 0.26152 0.26328 0.26806 0.27001 0.27377 0.27490 0.27897 0.28235 0.28363 0.28677 0.28697 0.29092 0.29531 0.29851 0.29894 0.30285 0.30441 0.31067 0.31254 0.31788 0.31968 0.32582 0.32978 0.33227 0.35077 0.35895 0.36039 0.37116 0.37462 0.37987 0.38662 0.39283 0.39755 0.40798 0.41260 0.42257 0.43442 0.43823 0.44690 0.45273 0.46663 0.47141 0.47509 0.47950 0.48486 0.49171 0.49436 0.49693 0.50101 0.50537 0.51308 0.51481 0.51787 0.52448 0.52683 0.53049 0.53536 0.54282 0.54723 0.55026 0.55593 0.55967 0.56370 0.56759 0.57030 0.57627 0.57705 0.58066 0.58700 0.59127 0.59433 0.59791 0.60400 0.60693 0.60768 0.60949 0.61128 0.61770 0.62658 0.62970 0.63565 0.64214 0.64513 0.65351 0.65770 0.66191 0.67156 0.67528 0.68701 0.69220 0.69601 0.70295 0.70362 0.70626 0.71333 0.71975 0.72410 0.72954 0.73399 0.74547 0.74752 0.75763 0.76251 0.76927 0.77764 0.78937 0.79401 0.80423 0.80560 0.81466 0.81932 0.82161 0.82851 0.82989 0.83384 0.84169 0.84689 0.84966 0.85905 0.86164 0.86668 0.87418 0.88184 0.88432 0.89102 0.89309 0.89900 0.90495 0.91227 0.91428 0.91656 0.91862 0.92129 0.93098 0.93385 0.93806 0.94595 0.94793 0.95154 0.95407 0.96758 0.96953 0.97507 0.97910 0.98241 0.98508 0.98840 0.99266 0.99476 1.00072 1.00422 1.00609 1.00748 1.01207 1.01659 1.02186 1.02946 1.02994 1.03612 1.03926 1.04108 1.04726 1.04956 1.05191 1.05284 1.06329 1.06531 1.06935 1.07553 1.07794 1.08316 1.08990 1.09103 1.09559 1.10078 1.10403 1.10945 1.11106 1.11796 1.12237 1.12526 1.13103 1.13682 1.14312 1.14942 1.15148 1.15564 1.16017 1.16500 1.16917 1.17329 1.18364 1.18620 1.19091 1.19999 1.20080 1.20683 1.21240 1.21823 1.22072 1.22324 1.22800 1.23384 1.23644 1.23955 1.25296 1.26065 1.26646 1.27347 1.27534 1.28125 1.29257 1.29350 1.30194 1.30382 1.30943 1.31371 1.31780 1.32315 1.32592 1.33080 1.33887 1.34120 1.34864 1.35547 1.35933 1.36143 1.36899 1.37928 1.38011 1.38455 1.38924 1.39884 1.40430 1.40933 1.42005 1.42593 1.43301 1.43701 1.44658 1.45111 1.45687 1.46268 1.46624 1.47185 1.47853 1.48130 1.48652 1.48860 1.49832 1.50236 1.51023 1.51605 1.52136 1.53298 1.53751 1.54968 1.55309 1.55908 1.56556 1.56858 1.57899 1.58015 1.58521 1.58727 1.59536 1.60295 1.60621 1.62152 1.62690 1.63220 1.63545 1.64501 1.64819 1.66209 1.66662 1.68503 1.68859 1.69544 1.71519 1.71978 1.72218 1.72659 1.73531 1.74572 1.75006 1.75803 1.76941 1.76996 1.77653 1.78386 1.80156 1.81382 1.82444 1.82695 1.83508 1.84055 1.87161 1.87533 1.88088 1.89217 1.91125 1.92483 1.94076 1.95271 1.97079 1.97563 1.98409 1.99109 2.00453 2.01260 2.02351 2.02725 2.03875 2.04779 2.05502 2.09239 2.09990 2.12174 2.13157 2.14306 2.16225 2.18401 2.19364 2.19786 2.20823 2.22635 2.24029 2.24134 2.25868 2.26253 2.26968 2.28306 2.29016 2.29935 2.30660 2.32914 2.34226 2.35790 2.36992 2.38066 2.39004 2.40181 2.41292 2.42152 2.44211 2.45927 2.52951 2.60191 2.63408 2.69111 2.72347 2.72692 2.72937 2.74527 2.75888 2.76217 2.77294 2.77460 2.78832 2.79163 2.80690 2.81394 2.81682 2.83076 2.83500 2.83797 2.84980 2.86227 2.86991 2.88112 2.88383 2.89938 2.90740 2.92642 2.93565 2.95824 2.97985 2.99998 3.00933 3.02194 3.04897 3.09179 3.10550 3.11967 3.12932 3.14462 3.16164 3.17597 3.18882 3.19303 3.21689 3.21996 3.23192 3.24058 3.25055 3.25277 3.25905 3.26497 3.26854 3.28315 3.28895 3.29678 3.31026 3.31724 3.32670 3.33021 3.33916 3.34982 3.35431 3.36257 3.36691 3.36940 3.37769 3.38728 3.39205 3.39695 3.40769 3.42264 3.42474 3.43534 3.44273 3.44990 3.45439 3.45531 3.46037 3.46632 3.46799 3.47440 3.48081 3.48816 3.49394 3.49952 3.50222 3.50815 3.51766 3.53299 3.53803 3.54707 3.55137 3.55510 3.55838 3.56744 3.57481 3.57836 3.58594 3.59398 3.59832 3.60290 3.61610 3.61851 3.63058 3.64261 3.65076 3.65967 3.66653 3.67887 3.68023 3.69827 3.77516 3.78703 3.81782 3.81968 3.83528 3.85003 3.90875 3.93024 3.94443 3.95069 3.97236 3.99129 3.99883 4.00166 4.01661 4.02797 4.03163 4.04007 4.04232 4.06510 4.08494 4.09538 4.10030 4.10756 4.12045 4.12752 4.13771 4.14439 4.15412 4.16024 4.16983 4.17184 4.18165 4.18804 4.20029 4.20624 4.21006 4.21859 4.22231 4.23356 4.23560 4.24611 4.26578 4.28341 4.29220 4.29825 4.30809 4.33149 4.33641 4.33895 4.34472 4.36541 4.37120 4.37796 4.38384 4.39257 4.40579 4.41112 4.42778 4.43342 4.45131 4.45581 4.47778 4.64580 4.64729 4.65206 4.65783 4.66264 4.67969 4.70266 4.71018 4.71946 4.72433 4.72863 4.74141 4.74788 4.75629 4.76289 4.77183 4.77208 4.78622 4.79458 4.81079 4.82937 4.83133 4.85197 4.85320 4.86334 4.87433 4.87972 4.88362 4.90292 4.91366 4.91662 4.92754 4.93386 4.93444 4.93705 4.94515 4.95258 4.96518 4.98573 4.99532 5.01645 5.01773 5.02154 5.03608 5.04359 5.04709 5.04864 5.05133 5.05785 5.05829 5.06602 5.07234 5.09860 5.10790 5.12303 5.12729 5.14983 5.15281 5.16488 5.17095 5.17720 5.18521 5.19083 5.20233 5.20901 5.21021 5.21814 5.22143 5.23756 5.24513 5.24840 5.25587 5.26264 5.27380 5.27906 5.28810 5.29987 5.30309 5.30909 5.31592 5.31958 5.32041 5.32872 5.33281 5.33635 5.33898 5.34059 5.35955 5.36680 5.37326 5.38045 5.38330 5.38964 5.39211 5.39697 5.40259 5.41141 5.41847 5.42220 5.42475 5.43162 5.43742 5.43856 5.44564 5.44806 5.45395 5.45972 5.46860 5.46908 5.47335 5.47805 5.48920 5.49166 5.49962 5.51484 5.52017 5.55076 5.55228 5.55700 5.57316 5.57876 5.58318 5.58514 5.58937 5.59325 5.59529 5.60113 5.60311 5.60758 5.60828 5.61331 5.62017 5.62314 5.62811 5.63181 5.63900 5.64780 5.65185 5.65611 5.66367 5.67221 5.67624 5.69790 5.70500 5.71443 5.72616 5.73199 5.74058 5.75600 5.76000 5.76359 5.76755 5.79054 5.81345 5.83050 5.83730 5.84000 5.87688 5.88775 5.89733 5.92192 5.92377 5.92626 5.95846 5.97189 5.97776 5.99452 5.99944 6.02519 6.17452 6.49913 6.53987 6.57568 6.59160 6.62502 6.64539 6.65339 6.65909 6.68437 6.70366 6.72080 6.73055 6.73403 6.76119 6.77318 6.80169 6.85141 6.86243 6.92583 6.95112 6.95384 6.96669 6.97100 6.98407 6.98532 6.99117 6.99460 6.99902 7.01587 7.02127 7.02572 7.03291 7.03941 7.04069 7.04916 7.05504 7.06041 7.06785 7.07357 7.08918 7.09600 7.09982 7.10823 7.11540 7.12462 7.12981 7.14259 7.14676 7.16026 7.18435 7.20945 7.25853 7.31767 7.39435 7.40265 7.47537 7.49171 7.65183 8.06458 8.10413 14.36492 14.36872 14.38090 14.38118 14.38306 14.38580 14.38690 14.38840 14.39153 14.39521 14.39689 14.39929 14.40146 14.40895 14.41042 14.41532 14.41774 14.42133 14.42402 14.42732 14.43391 14.43599 14.43873 14.44382 14.44425 14.44847 14.45267 14.45570 14.45825 14.46257 14.46790 14.47711 14.48207 14.48478 14.49133 14.49488 14.50112 14.51054 14.52620 14.53189 14.54802 14.55293 14.56556 14.59352 14.63416 14.66686 14.67479 14.67944 14.68170 14.68527 14.68951 14.69273 14.69424 14.69609 14.70292 14.70703 14.71331 14.71872 14.78830 14.84123 14.87995 15.00623 15.04705 15.05483 15.05971 15.06666 15.07576 15.07874 15.08541 15.08965 15.09619 15.09754 15.10039 15.11251 15.11857 16.06895 19.36028 19.38051 19.38654 19.39259 19.40804 19.42480 19.45694 19.47470 19.50459 19.52087 19.52905 19.57769 19.61177 19.66134 19.68294 50.01734 50.01973 50.03800 50.04026 50.04361 50.05730 50.06028 50.06385 50.07679 50.08596 50.08951 50.09441 50.10583 50.13707 50.20728 67.00970 67.07413 67.08506 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 1.092560 -0.452102 -0.499588 -0.291626 -0.969614 0.371068 0.470091 -0.777275 0.320396 -0.911783 0.585250 0.424875 0.671716 -0.807046 0.470668 -0.968497 0.493129 -0.851560 0.397681 0.453767 -0.702299 0.309299 0.352304 -0.869724 0.445928 0.387048 -0.763988 0.430315 0.309412 -0.662683 0.299308 0.330427 -0.774157 0.354830 0.407206 -0.719400 0.408673 0.282697 -0.928787 0.458432 0.460268 -0.778235 0.309911 0.475565 -0.846225 0.462917 0.312388 0.408578 0.617880 -0.00000 -1.9284 1.4421 -7.4964 7.8737 -133.7673 -128.4560 -146.1587 -12.5542 -4.0796 -0.2281 2.3601 7.6713 -10.0314 -12.5542 -4.0796 -0.2281 -78.9457 0.8468 -68.1236 -35.2576 26.7932 -45.1898 -2.0294 25.7403 -98.7085 14.2578 -3719.5542 -2644.3493 -2352.1645 62.1502 -282.4918 -324.7779 55.8483 18.5992 -33.8321 -1315.7464 -1123.1394 -892.5836 17.5394 49.4623 -118.8888 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CABRERA LAMSABHI 19-Jul-2024 0 Single Point 15-agua-BF3/ CONF41water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1472.0062843 RMSD=4.772e-09 Dipole=-1.9185076,0.2679813,-2.41735 Quadrupole=-3.7416438,7.009397,-3.2677532,-2.1781446,-2.6254946,9.6654314 PG=C01 [X(B1F3H30O15)] 0 1.4730651804 -0.8575471407 -1.7330560718 0 2.4457826099 -1.496244482 -0.901275167 0 1.0015120481 -1.827038196 -2.6623973362 0 0.3699525423 -0.4904617965 -0.8886480926 0 1.9609039134 0.3290514989 -2.3673256351 0 0.466160346 -0.1376161203 0.9298562515 0 -0.5625154148 -2.983728394 0.8052579088 0 3.3738004181 0.3987862533 1.2147325592 0 3.327406844 -0.3524718885 0.6042725293 0 -2.7733473921 -1.2386323736 1.8223457151 0 -2.1799584511 -0.9777901825 2.6170961342 0 3.2437942365 1.1774327291 0.625529471 0 -2.2657364484 -1.9530474614 1.2744185746 0 0.7205226271 0.1036284624 1.8363414071 0 1.6912880297 0.2645045742 1.7690562241 0 -1.5130209438 -3.0497677535 0.5601266349 0 -1.5496673344 -2.9589663254 -0.4190389087 0 2.8794522461 2.3624170996 -0.6562254356 0 2.0736858358 2.8964778956 -0.5129673181 0 2.5969312186 1.6801802345 -1.2986243341 0 -1.6077062807 -2.8259004758 -2.1943834019 0 -1.6411032244 -3.7101645622 -2.5810824032 0 -0.7236615775 -2.4887876799 -2.4178263036 0 -1.2202681866 -0.4720944699 3.7213174413 0 -1.5689359576 0.4245257115 3.9280037488 0 -0.4284051036 -0.3021965163 3.1696538475 0 -2.0234729958 0.319696523 -2.013079178 0 -1.2293983536 -0.1291072062 -1.6738830622 0 -2.4884957685 -0.3565012153 -2.5232220883 0 1.133999055 -2.7844695265 1.3811483661 0 1.6313571385 -2.5279174658 0.5884119225 0 1.0248869055 -1.943100104 1.8554236148 0 -0.0911586735 2.246557621 -2.8370444095 0 -0.8844354185 1.6957323097 -2.7053221986 0 0.6468047895 1.6101201455 -2.7556568748 0 -2.1655358247 2.1339215248 4.0140374636 0 -1.7914858097 2.3975886085 3.1490729344 0 -3.1217355324 2.1295305277 3.8815556301 0 -2.9882116332 0.9348482447 0.5082229441 0 -2.2590538649 1.4956185219 0.8653942544 0 -2.7323835165 0.7467048337 -0.4209197784 0 0.3585470648 3.6524406441 -0.53597979 0 0.2848466702 4.6015360199 -0.6950243032 0 0.1195512252 3.2123462558 -1.3884608487 0 -0.8895083598 2.3753567887 1.5616586699 0 -0.4876935569 2.9177476039 0.8480186924 0 2.5926318096 0.1396543292 -3.0715529548 0 -0.2529657155 1.6475197016 1.7200691628 0 -2.8739793304 -0.381664799 1.25494212