Gaussian 16 GINC-GANDULLAS LAMSABHI Optimization 14H2OBF3OH CONF27 gas EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 91 91 592 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(BF3H29O15)] C1[X(BF3H29O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 307.7972096 -1 1 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9223,.8642,-1.5018;1.9283,.1927,-2.2234;1.3249,2.1789,-1.2349;-.2343,.9011,-2.3373;.6216,.2065,-.2458;-3.4915,1.3899,-1.5954;3.5434,-1.8225,.1287;-1.8698,-1.5325,-1.6624;-1.4334,-.7101,-1.9172;.1538,3.1203,2.02;-.6178,2.5732,1.7749;-1.1275,-2.1274,-1.4708;.4935,3.4138,1.1703;-2.8756,2.1018,-1.3122;-2.118,2.0306,-1.9011;3.083,-2.5869,.5773;3.697,-3.3209,.5381;1.6822,-1.7384,3.0488;1.7235,-.7765,2.9177;2.2486,-2.0893,2.346;-5.3529,-.4917,.6333;-4.4747,-.8378,.9076;-5.3976,.3821,1.0252;4.2346,-.638,-.7311;3.5641,-.437,-1.3973;4.2977,.1976,-.2177;-1.6184,1.2882,.9257;-2.132,1.6619,.1675;-.8245,.8922,.5033;.4359,-2.5086,-.3492;1.3831,-2.7011,-.2369;.0295,-2.753,.5231;-2.7535,-1.1614,1.0875;-2.3822,-.2564,1.1961;-2.5034,-1.3854,.1724;1.8883,.9204,2.0537;1.4781,.6074,1.2176;1.3475,1.7008,2.2839;-.6038,-2.9219,2.061;-1.3695,-2.3319,2.0128;.1001,-2.4534,2.5569;4.0293,1.7624,.5714;3.5003,2.2071,-.0976;3.3661,1.4992,1.2438;-4.4978,-.0156,-1.9674;-4.9289,-.2085,-1.1108;.5516,-.7762,-.308;-3.8733,-.7383,-2.0921; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6521615/Gau-2114353.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6521615/" chk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/gas/CONF27/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 14H2OBF3OH CONF27 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 1 1 1 1 2 4 5 5 5 6 6 7 7 8 8 8 10 10 10 11 12 14 14 16 16 18 18 18 19 21 21 21 22 24 24 26 27 27 27 30 30 30 32 33 33 36 36 36 39 39 42 42 45 45 2 3 4 5 25 9 29 37 47 14 45 16 24 9 12 35 11 13 38 27 30 15 28 17 31 19 20 41 36 22 23 46 33 25 26 42 28 29 34 31 32 47 39 34 35 37 38 44 40 41 43 44 46 48 1.4083 1.4007 1.4273 1.4494 1.9377 2.052 1.767 1.7424 0.9872 0.983 1.7682 0.9988 1.6187 0.9652 0.9704 1.9467 0.9771 0.9609 1.8734 1.8368 1.9615 0.9623 1.7135 0.9577 1.8883 0.9717 0.9684 1.8045 1.9114 0.983 0.9587 1.817 1.7606 0.9663 0.9828 1.7729 0.989 0.9827 1.7442 0.9731 0.9929 1.7368 1.6717 0.9843 0.9747 0.9824 0.977 1.7818 0.9679 0.9802 0.9619 0.9805 0.9781 0.9633 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 2 2 2 3 3 4 1 1 1 1 1 29 29 37 9 9 12 11 11 13 10 8 6 6 15 7 7 17 19 19 20 18 22 22 23 7 7 25 2 11 11 11 28 28 29 12 12 12 31 31 32 16 22 22 34 27 19 19 19 37 37 38 10 32 32 40 18 26 26 43 36 6 6 46 1 1 1 1 1 1 2 4 5 5 5 5 5 5 8 8 8 10 10 10 11 12 14 14 14 16 16 16 18 18 18 19 21 21 21 24 24 24 25 27 27 27 27 27 27 30 30 30 30 30 30 31 33 33 33 34 36 36 36 36 36 36 38 39 39 39 41 42 42 42 44 45 45 45 3 4 5 4 5 5 25 9 29 37 47 37 47 47 12 35 35 13 38 38 27 30 15 28 28 17 31 31 20 41 41 36 23 46 46 25 26 26 24 28 29 34 29 34 34 31 32 47 32 47 47 30 34 35 35 33 37 38 44 38 44 44 36 40 41 41 39 43 44 44 42 46 48 48 109.8692 106.9338 112.0769 108.673 108.6902 110.5401 122.6511 109.4758 111.1672 121.4281 114.3175 87.5327 110.7948 108.4752 103.2116 109.3646 96.2743 103.2057 96.5572 97.5074 159.697 147.3271 105.2691 109.5581 99.6652 105.8181 105.5213 120.8757 103.6385 113.1282 99.8676 160.6588 104.3851 96.5579 105.1431 102.8343 111.8464 103.1754 161.3052 111.8993 92.3197 141.8497 104.0249 103.0664 93.646 151.6796 102.9464 82.6899 104.3754 97.4516 104.589 156.0837 102.1844 101.3692 102.601 164.2305 93.776 123.7062 124.4288 102.9355 93.6138 107.861 157.6353 101.0854 98.3394 107.5745 163.1122 100.4721 99.8295 103.2404 163.7312 102.9069 104.7495 104.5385 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 14 16 4 21 24 14 5 30 8 5 21 5 14 16 4 21 24 14 5 30 8 5 21 5 6 7 9 22 26 28 29 32 35 37 46 47 6 7 9 22 26 28 29 32 35 37 46 47 45 24 8 33 42 27 27 39 33 36 45 30 45 24 8 33 42 27 27 39 33 36 45 30 7 4 6 6 1 1 8 6 5 7 5 7 7 4 6 6 1 1 8 6 5 7 5 7 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 174.2426 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 177.2739 187.7782 165.1691 166.7226 171.6239 181.0509 175.9188 172.125 186.5878 167.0823 179.4041 176.1122 184.9337 184.9271 179.483 179.5137 185.7817 180.3125 188.0075 174.0653 179.1195 181.9732 177.7343 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 3 4 5 2 3 5 2 2 2 3 3 3 4 4 4 1 1 1 1 1 1 37 37 37 47 47 47 1 1 1 29 29 29 37 37 37 1 1 1 29 29 29 47 47 47 9 9 12 12 6 6 6 15 15 15 15 15 28 28 17 17 31 31 9 35 13 38 11 13 10 10 10 8 8 8 7 17 20 41 19 20 18 18 18 23 23 46 46 22 22 23 23 7 26 7 7 25 25 11 28 29 12 32 47 12 12 31 31 47 47 22 35 19 37 44 19 37 38 32 40 26 43 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 14 14 14 14 14 14 14 14 14 14 16 16 16 16 8 8 10 10 10 10 11 11 11 12 12 12 16 16 18 18 18 18 19 19 19 21 21 21 21 21 21 21 21 24 24 24 24 24 24 27 27 27 30 30 30 30 30 30 30 30 30 33 33 36 36 36 36 36 36 39 39 42 42 2 2 2 4 4 4 5 5 5 5 5 5 5 5 5 25 8 8 27 27 27 27 27 27 27 27 27 30 30 30 30 30 30 30 30 30 36 36 36 36 36 36 36 36 36 33 33 33 33 27 27 27 27 27 27 45 45 45 45 24 24 24 24 12 12 11 11 38 38 27 27 27 30 30 30 31 31 19 19 41 41 36 36 36 33 33 33 33 45 45 45 45 25 25 42 42 42 42 34 34 34 31 31 31 39 39 39 39 39 39 34 34 38 38 38 44 44 44 41 41 44 44 25 25 25 9 9 9 29 37 47 29 37 47 29 37 47 24 12 35 11 28 34 11 28 34 11 28 34 12 31 32 12 31 32 12 31 32 19 38 44 19 38 44 19 38 44 22 34 22 34 11 29 34 11 29 34 46 48 46 48 25 26 25 26 30 30 27 27 36 36 28 29 34 31 32 47 30 30 36 36 39 39 37 38 44 34 35 34 35 6 48 6 48 2 2 43 44 43 44 33 33 33 16 16 16 40 41 40 41 40 41 27 27 10 10 10 42 42 42 18 18 36 36 75.2032 -167.0288 -45.7453 93.2293 -148.2213 -29.0222 -169.9979 89.4856 -43.6455 68.3749 -32.1416 -165.2727 -50.8138 -151.3303 75.5386 3.0206 -34.0566 65.1459 -87.5407 25.5414 130.1787 35.2117 148.2939 -107.0689 143.973 -102.9448 1.6925 -65.7648 85.7013 -167.4832 61.4973 -147.0367 -40.2212 155.2927 -53.2413 53.5742 -152.6948 81.7506 -27.2054 95.2683 -30.2864 -139.2424 -15.2438 -140.7985 110.2455 102.0997 -1.9325 -151.886 104.0818 -170.7021 92.8152 -2.5487 80.7136 -15.7692 -111.133 149.6084 41.4587 44.8464 -63.3033 123.6667 -126.4399 -4.0246 105.8688 63.2995 -48.3209 50.0615 -49.265 62.4496 -41.8557 -97.2956 8.8268 107.7203 -125.2191 70.2948 -33.066 -90.1309 150.1553 29.7907 -77.3903 102.8907 -6.6543 31.9423 140.2246 -65.055 -22.2467 -126.4679 82.9261 -21.2951 -72.8474 33.6334 32.687 139.1679 70.0473 -46.3955 -117.7221 -13.2693 -11.7762 92.6767 -148.4341 55.3182 -49.994 140.121 -55.4896 51.7136 -31.3412 -140.3642 153.4741 44.4511 53.3108 -55.7122 -100.0471 4.7217 -122.1172 -18.5586 79.6027 106.0575 8.9754 -95.858 -25.1603 -129.6538 -63.5891 39.7238 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 611 A 592 A 916 611 2092.6320344127 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 592 RedAO= T EigKep= 7.98D-05 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Berny optimization. local minimum Step number 51 out of a maximum of 284 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00055 0.00072 0.00236 0.00335 0.00356 0.00430 0.00563 0.00583 0.00623 0.00649 0.00740 0.00768 0.00836 0.00876 0.01034 0.01057 0.01174 0.01252 0.01450 0.01569 0.01612 0.01778 0.01838 0.01882 0.02127 0.02230 0.02409 0.02464 0.02557 0.02797 0.02974 0.03156 0.03237 0.03353 0.03436 0.03597 0.03691 0.03884 0.04067 0.04099 0.04300 0.04411 0.04521 0.04731 0.04758 0.04858 0.04921 0.05032 0.05122 0.05186 0.05320 0.05460 0.05537 0.05644 0.05665 0.05753 0.05873 0.05967 0.06072 0.06160 0.06252 0.06426 0.06439 0.06559 0.06664 0.06713 0.06804 0.07054 0.07232 0.07325 0.07368 0.07699 0.07823 0.07896 0.08085 0.08155 0.08298 0.08485 0.08572 0.08690 0.09037 0.09293 0.09470 0.09670 0.10106 0.10264 0.10792 0.11089 0.11270 0.11454 0.12248 0.13195 0.13353 0.13550 0.13749 0.14382 0.14715 0.15817 0.16346 0.16846 0.17172 0.18073 0.20860 0.22356 0.31577 0.34405 0.37809 0.40123 0.42781 0.43776 0.44478 0.45379 0.46396 0.48157 0.48468 0.48974 0.49263 0.49524 0.49937 0.50195 0.50410 0.50696 0.50968 0.51271 0.51348 0.51966 0.52274 0.52648 0.53483 0.53598 0.54523 0.54728 0.54950 0.55274 0.55404 0.55804 0.55993 0.66107 -8.78457449e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 2.68141 2.66279 2.73706 2.73259 3.50299 3.56389 3.33335 3.32895 1.85865 1.85679 3.45221 1.88987 3.12031 1.83817 1.84289 3.56086 1.86057 1.81780 3.53878 3.34987 3.60746 1.83011 3.32059 1.81630 3.60819 1.84533 1.83845 3.48314 3.55224 1.86245 1.81655 3.55144 3.35445 1.83656 1.85841 3.43533 1.86826 1.86262 3.37639 1.84063 1.87452 3.38782 3.24033 1.85957 1.85273 1.85847 1.84854 3.52662 1.83918 1.85367 1.83180 1.84844 1.84566 1.83246 1.92231 1.86470 1.95422 1.89470 1.90510 1.92172 2.07661 1.88655 1.90719 2.16483 1.96879 1.45974 1.97761 1.92521 1.80999 1.93731 1.69404 1.82828 1.69151 1.92163 2.87401 2.57991 1.82773 1.91194 1.70214 1.85131 1.83456 2.18080 1.81692 1.99400 1.81199 2.83793 1.83881 1.64726 2.04121 1.81579 2.00090 1.79563 2.81938 2.12316 1.74116 2.26146 1.81419 1.77470 1.62019 2.60068 1.83647 1.41403 1.83004 1.72486 1.81405 2.70564 1.84998 1.76826 1.78788 2.84407 1.63201 2.07683 2.17313 1.82045 1.54503 1.98936 2.84604 1.74159 1.68184 1.88018 2.79527 1.75090 1.78889 1.79840 2.76083 1.88235 1.81175 1.82283 2.98694 3.04761 3.18120 2.91193 2.86690 2.92973 3.12761 3.01812 3.05040 3.15120 2.87946 3.14329 3.09448 3.20631 3.28773 3.22520 3.14496 3.27313 3.10670 3.30379 3.07989 3.15620 3.11863 3.13782 1.22609 -3.00244 -0.89717 1.45745 -2.75303 -0.66846 -2.90735 1.71040 -0.69088 1.24271 -0.42272 -2.82400 -0.83552 -2.50096 1.38094 0.19055 -0.51186 1.24845 -1.79688 0.41511 2.20462 0.36622 2.57821 -1.91546 2.27484 -1.79636 -0.00685 -1.08117 1.51272 -2.88901 1.09757 -2.59172 -0.71026 2.69771 -0.99158 0.88987 -2.57840 1.59373 -0.40511 1.80529 -0.30576 -2.30460 -0.15703 -2.26808 2.01626 1.89944 0.00319 -2.51062 1.87631 -2.78482 1.63145 -0.00453 1.63678 -0.23014 -1.86611 2.55039 0.64676 0.78267 -1.12097 2.20681 -2.14498 -0.10973 1.82167 1.22426 -0.76011 1.74059 -0.23079 0.49769 -1.39626 -2.16018 -0.18517 1.59431 -2.22867 1.16276 -0.61931 -1.46544 2.67815 0.77473 -1.18941 1.90695 -0.06013 0.30985 2.20317 -1.27176 -0.65117 -2.48147 1.38962 -0.44067 -1.14134 0.71166 0.72687 2.57987 1.23734 -0.85483 -1.93258 -0.10871 -0.06424 1.75963 -2.53482 1.13044 -0.69988 2.30467 -1.08632 0.78221 -0.51243 -2.40521 2.69249 0.79971 0.92598 -0.96680 -1.93328 -0.08679 -1.89798 -0.11204 1.54317 1.59946 -0.02791 -1.86073 -0.41525 -2.20292 -1.07348 0.73934 -0.00002 0.00001 0.00003 -0.00002 -0.00000 -0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -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 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00003 -0.00004 -0.00001 0.00002 -0.00001 -0.00014 -0.00004 0.00010 -0.00001 -0.00000 0.00008 0.00000 -0.00001 0.00000 0.00001 0.00007 0.00004 0.00000 -0.00004 -0.00035 -0.00025 0.00000 0.00009 -0.00000 0.00012 -0.00002 0.00000 -0.00010 0.00024 -0.00002 0.00000 -0.00008 0.00012 0.00000 -0.00000 -0.00007 -0.00001 0.00000 0.00006 -0.00000 0.00002 0.00013 -0.00014 -0.00001 -0.00001 -0.00001 0.00001 -0.00029 0.00000 0.00000 -0.00001 0.00002 0.00001 0.00000 0.00002 -0.00000 -0.00003 0.00000 0.00001 -0.00001 0.00011 0.00003 0.00005 0.00006 -0.00005 -0.00015 0.00010 -0.00000 -0.00001 -0.00005 -0.00006 -0.00001 -0.00014 -0.00033 0.00003 0.00022 0.00000 0.00017 -0.00010 -0.00002 -0.00013 0.00002 0.00000 -0.00000 -0.00000 -0.00006 0.00000 -0.00004 -0.00047 0.00006 -0.00017 0.00003 -0.00023 -0.00011 -0.00002 0.00028 -0.00001 -0.00010 -0.00011 0.00011 -0.00006 -0.00008 -0.00002 -0.00005 0.00002 0.00004 0.00003 0.00000 0.00004 -0.00008 -0.00007 0.00028 -0.00012 -0.00003 0.00001 -0.00014 0.00003 0.00001 0.00004 -0.00002 0.00010 0.00006 0.00012 0.00003 -0.00010 -0.00011 -0.00019 0.00001 -0.00003 0.00013 -0.00002 0.00002 0.00012 0.00004 -0.00004 0.00005 0.00008 0.00007 0.00002 0.00004 0.00007 -0.00003 0.00008 -0.00005 0.00000 0.00003 0.00011 0.00008 0.00015 -0.00008 0.00021 -0.00005 0.00001 0.00002 -0.00000 -0.00005 -0.00002 -0.00001 -0.00011 0.00002 0.00002 -0.00013 -0.00000 -0.00000 -0.00014 -0.00001 -0.00001 0.00001 0.00011 0.00001 0.00033 0.00019 0.00006 0.00035 0.00021 0.00008 0.00031 0.00016 0.00003 -0.00002 0.00009 0.00006 0.00008 0.00019 0.00016 -0.00007 0.00004 0.00001 -0.00002 -0.00030 -0.00014 0.00003 -0.00025 -0.00009 -0.00002 -0.00030 -0.00014 -0.00005 -0.00013 -0.00011 -0.00018 -0.00010 -0.00004 0.00008 -0.00009 -0.00004 0.00008 -0.00014 -0.00004 -0.00008 0.00003 -0.00009 -0.00006 -0.00005 -0.00002 0.00005 0.00013 -0.00068 -0.00028 0.00060 0.00075 0.00007 -0.00000 -0.00007 0.00021 -0.00002 -0.00003 -0.00002 0.00012 -0.00002 -0.00002 0.00002 0.00003 0.00004 0.00002 0.00008 0.00089 0.00084 0.00038 0.00033 -0.00006 -0.00028 -0.00015 -0.00037 -0.00002 0.00013 0.00000 0.00008 0.00009 0.00017 -0.00046 -0.00055 -0.00050 -0.00029 -0.00006 -0.00006 0.00005 0.00006 -0.00009 -0.00008 -0.00003 -0.00001 0.00042 0.00044 -0.00033 -0.00033 -0.00038 0.00032 0.00040 0.00045 -0.00001 -0.00002 -0.00030 -0.00019 -0.00002 0.00002 0.00008 -0.00006 -0.00008 -0.00055 -0.00014 -0.00031 0.00001 -0.00000 -0.00000 -0.00001 -0.00004 0.00003 -0.00001 -0.00006 0.00002 0.00001 -0.00015 -0.00010 -0.00025 -0.00000 -0.00013 0.00000 0.00013 0.00001 0.00000 0.00002 -0.00010 -0.00001 -0.00000 -0.00014 0.00006 0.00000 -0.00001 -0.00001 0.00000 0.00003 -0.00014 -0.00000 -0.00000 0.00007 0.00006 0.00001 -0.00000 0.00003 0.00000 0.00011 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00005 0.00001 -0.00001 -0.00005 0.00004 0.00001 0.00001 -0.00001 0.00002 -0.00002 0.00005 -0.00004 0.00003 0.00002 -0.00002 -0.00006 0.00009 0.00001 -0.00000 0.00003 -0.00001 0.00000 -0.00006 0.00002 0.00008 0.00000 0.00000 -0.00003 -0.00001 0.00001 0.00003 -0.00009 -0.00006 -0.00005 0.00007 0.00004 -0.00005 -0.00001 -0.00008 -0.00001 0.00005 0.00006 -0.00002 -0.00001 0.00003 0.00008 -0.00000 -0.00006 -0.00020 0.00001 -0.00002 -0.00001 -0.00002 0.00002 0.00002 -0.00004 -0.00003 0.00000 0.00010 0.00003 -0.00012 0.00004 0.00004 0.00001 0.00002 -0.00006 0.00007 -0.00002 -0.00005 -0.00005 0.00011 0.00003 0.00009 -0.00004 -0.00010 -0.00005 -0.00007 0.00012 -0.00005 0.00001 -0.00005 -0.00014 0.00031 0.00016 -0.00018 -0.00004 -0.00003 0.00005 -0.00000 -0.00006 0.00002 -0.00003 0.00005 -0.00005 0.00014 0.00019 -0.00004 -0.00003 -0.00007 -0.00009 -0.00008 -0.00011 0.00003 0.00006 0.00012 -0.00000 0.00002 0.00008 0.00003 0.00005 0.00011 0.00004 0.00006 0.00007 -0.00005 -0.00007 -0.00002 -0.00006 -0.00008 -0.00003 -0.00010 -0.00012 -0.00007 0.00000 -0.00000 -0.00005 -0.00005 -0.00005 -0.00009 -0.00001 -0.00001 -0.00006 0.00007 0.00009 0.00004 0.00004 0.00006 0.00001 -0.00002 0.00000 -0.00005 0.00003 0.00005 0.00005 0.00007 -0.00024 -0.00024 -0.00025 -0.00023 -0.00022 -0.00023 -0.00006 -0.00011 -0.00001 -0.00006 0.00004 0.00006 -0.00004 -0.00001 -0.00010 -0.00012 0.00024 0.00022 -0.00016 -0.00013 -0.00015 -0.00014 -0.00025 0.00016 -0.00002 0.00017 0.00014 0.00003 0.00008 0.00011 -0.00019 -0.00017 -0.00001 0.00000 -0.00014 0.00013 0.00017 0.00002 0.00006 -0.00008 0.00010 -0.00004 0.00014 0.00003 -0.00004 0.00005 0.00003 0.00001 -0.00002 -0.00008 -0.00015 -0.00021 -0.00022 -0.00004 -0.00027 0.00003 0.00000 -0.00006 -0.00008 0.00006 0.00004 0.00013 0.00010 0.00002 0.00004 0.00016 -0.00007 -0.00016 -0.00021 0.00020 0.00014 0.00006 0.00001 0.00000 -0.00002 0.00007 -0.00004 -0.00009 -0.00069 -0.00018 -0.00021 0.00000 -0.00001 0.00007 -0.00000 -0.00005 0.00003 0.00001 0.00001 0.00006 0.00002 -0.00019 -0.00045 -0.00050 0.00000 -0.00004 0.00000 0.00025 -0.00001 0.00001 -0.00008 0.00015 -0.00003 -0.00000 -0.00022 0.00018 0.00000 -0.00001 -0.00008 -0.00001 0.00003 -0.00008 -0.00001 0.00001 0.00020 -0.00008 0.00000 -0.00001 0.00002 0.00001 -0.00018 -0.00000 -0.00000 -0.00001 0.00002 0.00002 0.00000 0.00003 -0.00001 0.00002 0.00001 0.00000 -0.00005 0.00015 0.00004 0.00005 0.00005 -0.00003 -0.00017 0.00015 -0.00004 0.00001 -0.00004 -0.00009 -0.00007 -0.00005 -0.00032 0.00003 0.00024 -0.00001 0.00018 -0.00016 0.00000 -0.00006 0.00003 0.00000 -0.00004 -0.00002 -0.00005 0.00004 -0.00012 -0.00053 0.00001 -0.00011 0.00007 -0.00028 -0.00012 -0.00010 0.00028 0.00005 -0.00004 -0.00013 0.00011 -0.00003 0.00000 -0.00003 -0.00011 -0.00018 0.00005 0.00001 -0.00001 0.00001 -0.00006 -0.00005 0.00025 -0.00016 -0.00003 0.00011 -0.00011 -0.00009 0.00005 0.00008 -0.00000 0.00013 -0.00000 0.00018 0.00002 -0.00015 -0.00016 -0.00008 0.00003 0.00006 0.00009 -0.00012 -0.00003 0.00005 0.00016 -0.00010 0.00006 0.00004 -0.00006 0.00033 0.00020 -0.00012 -0.00007 0.00005 -0.00000 -0.00000 -0.00003 0.00013 0.00004 0.00020 -0.00013 0.00035 0.00014 -0.00003 -0.00001 -0.00007 -0.00014 -0.00010 -0.00013 -0.00008 0.00008 0.00013 -0.00013 0.00002 0.00008 -0.00011 0.00004 0.00010 0.00005 0.00017 0.00008 0.00028 0.00012 0.00003 0.00029 0.00013 0.00004 0.00021 0.00004 -0.00004 -0.00002 0.00009 0.00001 0.00003 0.00014 0.00006 -0.00008 0.00003 -0.00005 0.00005 -0.00021 -0.00010 0.00007 -0.00019 -0.00008 -0.00004 -0.00030 -0.00019 -0.00002 -0.00007 -0.00006 -0.00011 -0.00034 -0.00028 -0.00016 -0.00032 -0.00026 -0.00014 -0.00020 -0.00015 -0.00009 -0.00003 -0.00006 0.00000 -0.00009 -0.00003 -0.00005 0.00001 -0.00044 -0.00007 0.00044 0.00062 -0.00008 -0.00015 -0.00032 0.00037 -0.00004 0.00014 0.00012 0.00015 0.00006 0.00010 -0.00016 -0.00014 0.00003 0.00002 -0.00006 0.00102 0.00101 0.00040 0.00039 -0.00014 -0.00018 -0.00019 -0.00023 0.00000 0.00009 0.00006 0.00011 0.00010 0.00015 -0.00054 -0.00069 -0.00071 -0.00051 -0.00010 -0.00033 0.00008 0.00007 -0.00015 -0.00016 0.00004 0.00002 0.00055 0.00055 -0.00031 -0.00030 -0.00022 0.00025 0.00024 0.00024 0.00019 0.00011 -0.00024 -0.00019 2.68141 2.66277 2.73713 2.73255 3.50291 3.56320 3.33317 3.32873 1.85865 1.85679 3.45228 1.88987 3.12026 1.83820 1.84289 3.56087 1.86063 1.81782 3.53860 3.34942 3.60696 1.83011 3.32054 1.81630 3.60844 1.84533 1.83846 3.48305 3.55239 1.86242 1.81654 3.55123 3.35462 1.83657 1.85839 3.43525 1.86826 1.86265 3.37631 1.84063 1.87453 3.38803 3.24024 1.85957 1.85272 1.85850 1.84855 3.52644 1.83917 1.85366 1.83179 1.84846 1.84568 1.83246 1.92235 1.86469 1.95425 1.89471 1.90510 1.92167 2.07676 1.88658 1.90724 2.16488 1.96876 1.45957 1.97775 1.92517 1.81000 1.93727 1.69396 1.82821 1.69146 1.92131 2.87404 2.58015 1.82772 1.91212 1.70198 1.85131 1.83451 2.18083 1.81692 1.99397 1.81197 2.83788 1.83885 1.64713 2.04068 1.81579 2.00079 1.79570 2.81909 2.12304 1.74107 2.26174 1.81424 1.77466 1.62006 2.60079 1.83645 1.41403 1.83001 1.72475 1.81387 2.70568 1.84999 1.76825 1.78789 2.84402 1.63197 2.07708 2.17298 1.82042 1.54514 1.98925 2.84594 1.74164 1.68191 1.88018 2.79540 1.75090 1.78908 1.79841 2.76068 1.88218 1.81166 1.82286 2.98700 3.04770 3.18108 2.91190 2.86695 2.92989 3.12752 3.01818 3.05043 3.15114 2.87979 3.14348 3.09436 3.20624 3.28778 3.22520 3.14496 3.27310 3.10682 3.30383 3.08009 3.15607 3.11898 3.13797 1.22606 -3.00245 -0.89724 1.45731 -2.75314 -0.66858 -2.90743 1.71048 -0.69074 1.24258 -0.42270 -2.82392 -0.83564 -2.50092 1.38105 0.19060 -0.51170 1.24852 -1.79660 0.41522 2.20465 0.36651 2.57834 -1.91542 2.27504 -1.79632 -0.00689 -1.08119 1.51281 -2.88900 1.09761 -2.59158 -0.71020 2.69763 -0.99156 0.88982 -2.57835 1.59352 -0.40521 1.80536 -0.30595 -2.30469 -0.15706 -2.26838 2.01607 1.89942 0.00311 -2.51068 1.87620 -2.78516 1.63117 -0.00469 1.63646 -0.23040 -1.86625 2.55020 0.64661 0.78258 -1.12100 2.20675 -2.14497 -0.10982 1.82164 1.22421 -0.76010 1.74015 -0.23085 0.49813 -1.39564 -2.16026 -0.18532 1.59400 -2.22830 1.16272 -0.61916 -1.46532 2.67830 0.77479 -1.18931 1.90678 -0.06026 0.30988 2.20320 -1.27182 -0.65016 -2.48047 1.39002 -0.44028 -1.14147 0.71149 0.72668 2.57963 1.23734 -0.85475 -1.93252 -0.10860 -0.06414 1.75978 -2.53536 1.12974 -0.70059 2.30417 -1.08642 0.78188 -0.51235 -2.40515 2.69234 0.79955 0.92602 -0.96677 -1.93273 -0.08624 -1.89829 -0.11234 1.54295 1.59972 -0.02767 -1.86050 -0.41505 -2.20281 -1.07372 0.73915 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000005 0.001736 0.000243 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.374216e-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 R54 1 1 1 1 2 4 5 5 5 6 6 7 7 8 8 8 10 10 10 11 12 14 14 16 16 18 18 18 19 21 21 21 22 24 24 26 27 27 27 30 30 30 32 33 33 36 36 36 39 39 42 42 45 45 2 3 4 5 25 9 29 37 47 14 45 16 24 9 12 35 11 13 38 27 30 15 28 17 31 19 20 41 36 22 23 46 33 25 26 42 28 29 34 31 32 47 39 34 35 37 38 44 40 41 43 44 46 48 1.4189 1.4091 1.4484 1.446 1.8537 1.8859 1.7639 1.7616 0.9836 0.9826 1.8268 1.0001 1.6512 0.9727 0.9752 1.8843 0.9846 0.9619 1.8726 1.7727 1.909 0.9685 1.7572 0.9611 1.9094 0.9765 0.9729 1.8432 1.8798 0.9856 0.9613 1.8793 1.7751 0.9719 0.9834 1.8179 0.9886 0.9857 1.7867 0.974 0.992 1.7928 1.7147 0.984 0.9804 0.9835 0.9782 1.8662 0.9733 0.9809 0.9693 0.9782 0.9767 0.9697 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 2 2 2 3 3 4 1 1 1 1 1 29 29 37 9 9 12 11 11 13 10 8 6 6 15 7 7 17 19 19 20 18 22 22 23 7 7 25 2 11 11 11 28 28 29 12 12 12 31 31 32 16 22 22 34 27 19 19 19 37 37 38 10 32 32 40 18 26 26 43 36 6 6 46 1 1 1 1 1 1 2 4 5 5 5 5 5 5 8 8 8 10 10 10 11 12 14 14 14 16 16 16 18 18 18 19 21 21 21 24 24 24 25 27 27 27 27 27 27 30 30 30 30 30 30 31 33 33 33 34 36 36 36 36 36 36 38 39 39 39 41 42 42 42 44 45 45 45 3 4 5 4 5 5 25 9 29 37 47 37 47 47 12 35 35 13 38 38 27 30 15 28 28 17 31 31 20 41 41 36 23 46 46 25 26 26 24 28 29 34 29 34 34 31 32 47 32 47 47 30 34 35 35 33 37 38 44 38 44 44 36 40 41 41 39 43 44 44 42 46 48 48 110.1405 106.8397 111.9688 108.5583 109.1542 110.1067 118.9808 108.0912 109.2739 124.0356 112.8035 83.6369 113.3086 110.3065 103.7048 110.9996 97.0616 104.7529 96.9164 110.1016 164.6686 147.8177 104.7211 109.5464 97.5256 106.0722 105.1128 124.9508 104.1019 114.248 103.8195 162.6012 105.3561 94.3808 116.9525 104.0369 114.6432 102.882 161.5384 121.6482 99.7613 129.5723 103.9455 101.6826 92.8301 149.0079 105.2222 81.0177 104.8535 98.827 103.9371 155.0215 105.9962 101.3137 102.4377 162.9534 93.5075 118.9936 124.5113 104.3041 88.5234 113.9818 163.0659 99.7858 96.3621 107.7266 160.1573 100.3192 102.496 103.0404 158.1839 107.8506 103.8055 104.4403 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 14 16 4 21 24 14 5 30 8 5 21 5 14 16 4 21 24 14 5 30 8 5 21 6 7 9 22 26 28 29 32 35 37 46 47 6 7 9 22 26 28 29 32 35 37 46 45 24 8 33 42 27 27 39 33 36 45 30 45 24 8 33 42 27 27 39 33 36 45 7 4 6 6 1 1 8 6 5 7 5 7 7 4 6 6 1 1 8 6 5 7 5 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 171.1392 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 174.6151 182.2694 166.8416 164.2613 167.8609 179.1991 172.9253 174.7748 180.5506 164.981 180.097 177.3004 183.7079 188.3729 184.7903 180.1931 187.5364 178.0007 189.2931 176.4645 180.8369 178.6842 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 3 4 5 2 3 5 2 2 2 3 3 3 4 4 4 1 1 1 1 1 1 37 37 37 47 47 47 1 1 1 29 29 29 37 37 37 1 1 1 29 29 29 47 47 47 9 9 12 12 6 6 6 15 15 15 15 15 28 28 17 17 31 31 9 35 13 38 11 13 10 10 10 8 8 8 7 17 20 41 19 20 18 18 18 23 23 46 46 22 22 23 23 7 26 7 7 25 25 11 28 29 12 32 47 12 12 31 31 47 47 22 35 19 37 44 19 37 38 32 40 26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 14 14 14 14 14 14 14 14 14 14 16 16 16 16 8 8 10 10 10 10 11 11 11 12 12 12 16 16 18 18 18 18 19 19 19 21 21 21 21 21 21 21 21 24 24 24 24 24 24 27 27 27 30 30 30 30 30 30 30 30 30 33 33 36 36 36 36 36 36 39 39 42 2 2 2 4 4 4 5 5 5 5 5 5 5 5 5 25 8 8 27 27 27 27 27 27 27 27 27 30 30 30 30 30 30 30 30 30 36 36 36 36 36 36 36 36 36 33 33 33 33 27 27 27 27 27 27 45 45 45 45 24 24 24 24 12 12 11 11 38 38 27 27 27 30 30 30 31 31 19 19 41 41 36 36 36 33 33 33 33 45 45 45 45 25 25 42 42 42 42 34 34 34 31 31 31 39 39 39 39 39 39 34 34 38 38 38 44 44 44 41 41 44 25 25 25 9 9 9 29 37 47 29 37 47 29 37 47 24 12 35 11 28 34 11 28 34 11 28 34 12 31 32 12 31 32 12 31 32 19 38 44 19 38 44 19 38 44 22 34 22 34 11 29 34 11 29 34 46 48 46 48 25 26 25 26 30 30 27 27 36 36 28 29 34 31 32 47 30 30 36 36 39 39 37 38 44 34 35 34 35 6 48 6 48 2 2 43 44 43 44 33 33 33 16 16 16 40 41 40 41 40 41 27 27 10 10 10 42 42 42 18 18 36 70.25 -172.0272 -51.404 83.5055 -157.7373 -38.2997 -166.5787 97.9988 -39.5844 71.2023 -24.2203 -161.8034 -47.872 -143.2946 79.1223 10.9178 -29.3277 71.5307 -102.9538 23.7839 126.3153 20.9829 147.7207 -109.748 130.3386 -102.9237 -0.3923 -61.9468 86.6724 -165.5283 62.8864 -148.4945 -40.6952 154.5674 -56.8134 50.9859 -147.7313 91.314 -23.211 103.4356 -17.519 -132.044 -8.997 -129.9516 115.5234 108.83 0.1827 -143.8479 107.5049 -159.5585 93.4751 -0.2595 93.7806 -13.1858 -106.9204 146.1268 37.0565 44.8436 -64.2268 126.441 -122.8981 -6.287 104.3739 70.1451 -43.5514 99.7283 -13.2231 28.5153 -79.9997 -123.7691 -10.6094 91.3475 -127.6934 66.6213 -35.4836 -83.9636 153.4467 44.3885 -68.1479 109.26 -3.4449 17.753 126.2325 -72.8667 -37.3095 -142.1778 79.6195 -25.2488 -65.3937 40.7752 41.6466 147.8155 70.8943 -48.9784 -110.7285 -6.2283 -3.6808 100.8193 -145.2342 64.7694 -40.1002 132.048 -62.2415 44.8174 -29.3602 -137.8086 154.2684 45.8201 53.0549 -55.3934 -110.7686 -4.9726 -108.746 -6.4196 88.4173 91.6424 -1.5993 -106.612 -23.7919 -126.2182 -61.5058 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0593164971 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9223,.8642,-1.5018;1.9283,.1927,-2.2234;1.3249,2.1789,-1.2349;-.2343,.9011,-2.3373;.6216,.2065,-.2458;-3.4915,1.3899,-1.5954;3.5434,-1.8225,.1287;-1.8698,-1.5325,-1.6624;-1.4334,-.7101,-1.9172;.1538,3.1203,2.02;-.6178,2.5732,1.7749;-1.1275,-2.1274,-1.4708;.4935,3.4138,1.1703;-2.8756,2.1018,-1.3122;-2.118,2.0306,-1.9012;3.083,-2.5869,.5773;3.697,-3.3208,.5381;1.6822,-1.7384,3.0488;1.7235,-.7765,2.9177;2.2486,-2.0893,2.346;-5.3529,-.4917,.6333;-4.4747,-.8378,.9076;-5.3976,.3821,1.0252;4.2346,-.638,-.7311;3.5641,-.437,-1.3973;4.2977,.1976,-.2177;-1.6184,1.2882,.9257;-2.132,1.6619,.1675;-.8244,.8922,.5033;.4359,-2.5086,-.3492;1.3831,-2.7011,-.2369;.0295,-2.753,.5231;-2.7535,-1.1614,1.0875;-2.3822,-.2564,1.1961;-2.5034,-1.3854,.1724;1.8883,.9204,2.0537;1.4781,.6074,1.2176;1.3475,1.7008,2.2839;-.6038,-2.9219,2.061;-1.3695,-2.3319,2.0128;.1001,-2.4534,2.5569;4.0294,1.7624,.5714;3.5003,2.2071,-.0976;3.3661,1.4992,1.2438;-4.4978,-.0156,-1.9674;-4.9289,-.2085,-1.1108;.5516,-.7762,-.308;-3.8733,-.7383,-2.0921; 0.000000 1.408339 0.000000 1.400666 2.299166 0.000000 1.427276 2.278481 2.297628 0.000000 1.449377 2.370337 2.315955 2.364201 0.000000 4.446029 5.585846 4.893932 3.376222 4.487694 0.000000 4.092339 3.493158 4.774198 5.269777 3.576920 7.923542 0.000000 3.683198 4.209083 4.915663 3.008819 3.352292 3.342874 5.709224 0.000000 2.863664 3.494259 4.052228 2.051960 2.803002 2.957913 5.494753 0.965232 0.000000 4.252518 5.452131 3.584993 4.905214 3.720602 5.417870 6.284772 6.269243 5.717746 0.000000 4.003752 5.304323 3.604040 4.455708 3.349725 4.584461 6.272828 5.499020 5.007689 0.977140 0.000000 3.626561 3.909779 4.961245 3.274177 3.163345 4.239739 4.946573 0.970382 1.517054 6.431605 5.734971 0.000000 3.718139 4.893960 2.828651 4.375647 3.508310 5.255999 6.148619 6.170484 5.500181 0.960943 1.518956 6.348793 0.000000 3.999026 5.249040 4.201971 3.077209 4.118237 0.983027 7.660341 3.787151 3.217581 4.617125 3.853583 4.578993 4.385780 0.000000 3.280812 4.455802 3.509939 2.239287 3.684160 1.546126 7.142753 3.579717 2.824968 4.660866 4.007314 4.295941 4.262283 0.962258 0.000000 4.571821 4.111388 5.393377 5.627243 3.813048 7.984994 0.998756 5.537011 5.490287 6.575294 6.461991 4.704694 6.562419 7.814079 7.383436 0.000000 5.419836 4.806150 6.246435 6.445771 4.744982 8.855377 1.560809 6.247383 6.258261 7.499277 7.408589 5.360569 7.484442 8.719419 8.270582 0.957686 0.000000 5.297089 5.620091 5.815814 6.296821 3.970110 7.623770 3.463826 5.903735 5.951917 5.196361 5.050032 5.335941 5.611299 7.385058 7.290341 2.964873 3.587074 0.000000 4.781828 5.235598 5.112518 5.853393 3.491138 7.228966 3.490581 5.870299 5.774653 4.296022 4.243659 5.404792 4.703712 6.879602 6.771907 3.256195 4.003776 0.971661 0.000000 5.028668 5.117509 5.647450 6.086055 3.825553 7.783798 2.581480 5.773902 5.799462 5.624457 5.502809 5.095785 5.894556 7.563378 7.353817 2.017955 2.623577 0.968414 1.525025 0.000000 6.765812 7.851421 7.430771 6.079873 6.079075 3.460077 9.009505 4.299477 4.681348 6.730064 5.754842 4.995746 7.051386 4.080201 4.821826 8.692451 9.482355 7.542031 7.441542 7.954170 0.000000 6.150617 7.201587 6.879443 5.615541 5.328496 3.492014 8.115831 3.724629 4.152706 6.190880 5.221347 4.303954 6.544297 4.015678 4.655187 7.764514 8.548627 6.580505 6.516322 6.988385 0.983043 0.000000 6.823506 8.016099 7.316383 6.183515 6.154438 3.393570 9.252387 4.830568 5.056224 6.269412 5.311243 5.546364 6.627021 3.844619 4.694345 8.996515 9.831676 7.662601 7.458903 8.143507 0.958732 1.534221 0.000000 3.717734 2.869837 4.081040 4.991943 3.742006 8.034427 1.618728 6.239499 5.791255 6.192436 6.335445 5.614018 5.833311 7.641945 6.988989 2.614700 3.016260 4.691870 4.431497 3.939445 9.685255 8.864388 9.844044 0.000000 2.946667 1.937718 3.447203 4.135422 3.224679 7.290975 2.061318 5.549576 5.031918 5.996880 6.050859 4.987332 5.554222 6.922625 6.215239 2.958540 3.475669 5.000341 4.703410 4.298037 9.145494 8.372317 9.319452 0.966340 0.000000 3.672430 3.104397 3.714562 5.052419 3.676283 7.999504 2.184053 6.566529 6.046385 5.542697 5.811759 6.033975 5.171266 7.502069 6.881557 3.140286 3.648536 4.610783 4.172024 4.000178 9.712629 8.904727 9.776453 0.982773 1.527281 0.000000 3.539507 4.867826 3.758328 3.565480 2.749558 3.142364 6.079195 3.836344 3.479836 2.773980 1.836750 4.201236 3.006357 2.692661 2.965073 6.102595 7.046102 4.956033 4.404561 5.327139 4.147297 3.560674 3.887564 6.380687 5.935595 6.123542 0.000000 3.571022 4.935676 3.766255 3.233308 3.141873 2.242772 6.659842 3.690735 3.234262 3.283818 2.388932 4.248757 3.311798 1.713461 2.101315 6.739226 7.677422 5.866192 5.326804 6.164956 3.902469 3.504906 3.610768 6.828679 6.268960 6.605628 0.989050 0.000000 2.659437 3.937198 3.049079 2.901263 1.767018 3.430064 5.156410 3.415001 2.965983 2.867344 2.117869 3.620352 2.922333 2.994385 2.958138 5.232430 6.180198 4.436568 3.886684 4.661366 4.737025 4.059649 4.631041 5.427643 4.963724 5.219112 0.982654 1.553993 0.000000 3.597372 3.610645 4.852651 4.003493 2.723449 5.672378 3.218083 2.827252 3.031083 6.113771 5.607807 1.961461 6.114511 5.757569 5.434667 2.805706 3.475927 3.700427 3.915475 3.275054 6.208382 5.337156 6.653987 4.251548 3.895649 4.717558 4.501302 4.924907 3.725754 0.000000 3.810983 3.552074 4.981375 4.472540 3.005674 6.507204 2.360608 3.738869 3.836710 6.363467 5.989097 2.855651 6.337428 6.508534 6.116918 1.888284 2.517702 3.436839 3.710923 2.791874 7.142359 6.252667 7.554980 3.554123 3.351049 4.110729 5.125953 5.617434 4.281733 0.973101 0.000000 4.240453 4.452569 5.393756 4.648012 3.114520 5.835169 3.656335 3.142197 3.502656 6.062339 5.509471 2.388684 6.217949 5.947876 5.776830 3.058484 3.711221 3.184280 3.536932 2.947460 5.839236 4.909570 6.287694 4.871260 4.641685 5.241439 4.382815 4.928494 3.743967 0.992893 1.553228 0.000000 4.931426 5.891837 5.760615 4.725379 3.878092 3.775114 6.403676 2.912055 3.312690 5.258815 4.356702 3.181471 5.610881 4.052377 4.418660 6.029665 6.824485 4.884136 4.851960 5.240725 2.722525 1.760604 3.062356 7.239777 6.827195 7.298628 2.704645 3.033752 2.877466 3.748472 4.608235 3.255245 0.000000 4.410686 5.520339 5.057976 4.293946 3.363879 3.425373 6.221308 3.172032 3.286086 4.302560 3.384431 3.491036 4.662627 3.477921 3.859141 5.973484 6.839610 4.706154 4.482332 5.111306 3.032774 2.190885 3.087061 6.902271 6.489720 6.842953 1.744172 2.190973 2.055658 3.924555 4.712474 3.535844 0.984259 0.000000 4.427150 5.279218 5.416776 4.083609 3.531961 3.435642 6.062802 1.946675 2.442802 5.547611 4.668409 2.268056 5.745388 3.808299 4.014638 5.728535 6.505790 5.090936 5.076868 5.272709 3.021725 2.173997 3.496823 6.839321 6.338662 6.993877 2.915270 3.069868 2.848878 3.189577 4.123581 2.899862 0.974670 1.528830 0.000000 3.684794 4.338661 3.565965 4.877102 2.720593 6.517548 3.737421 5.826580 5.427709 2.801697 3.014995 5.550283 2.990420 5.951444 5.737918 3.988502 4.853484 2.846433 1.911360 3.045220 7.513153 6.700200 7.377840 3.960858 4.069388 3.389179 3.702024 4.502274 3.124660 4.431908 4.314738 4.392197 5.178193 4.511899 5.305028 0.000000 2.787491 3.494978 2.916854 3.956735 1.742365 5.763873 3.369839 4.907344 4.476578 2.951675 2.927086 4.636335 2.974423 5.252423 4.968313 3.631739 4.562507 2.982942 2.205863 3.023083 6.943545 6.133567 6.882117 3.598155 3.504277 3.190336 3.183911 3.904824 2.427574 3.640207 3.615357 3.724651 4.588240 3.955793 4.573453 0.982450 0.000000 3.900287 4.788208 3.551211 4.949403 3.026390 6.209759 4.677690 6.031428 5.585233 1.873392 2.209634 5.905762 2.214367 5.561200 5.443601 4.930432 5.812491 3.539151 2.584664 3.896234 7.240672 6.498955 6.987109 4.784922 4.799456 4.149850 3.288104 4.072761 2.922589 5.048159 5.072704 4.967258 5.142138 4.350187 5.367738 0.977022 1.532815 0.000000 5.418248 5.870930 6.371953 5.839282 4.075499 6.348235 4.705477 4.170962 4.626706 6.089707 5.502571 3.657793 6.491396 6.463562 6.520678 3.988217 4.579848 2.757152 3.279157 2.985011 5.522622 4.545126 5.913621 6.035086 5.958701 6.240898 4.477025 5.189647 4.125888 2.657247 3.045782 1.671737 2.944223 3.319028 3.088122 4.579732 4.183512 5.022625 0.000000 5.274465 5.932442 6.176984 5.537531 3.938135 5.601188 5.286417 3.794222 4.251922 5.661017 4.968017 3.498007 6.098600 5.742932 5.908504 4.685164 5.368666 3.276942 3.578397 3.641491 4.599684 3.618821 4.956492 6.465653 6.289691 6.594795 3.787972 4.465057 3.601460 2.978248 3.574137 2.086583 2.035074 2.449513 2.359787 4.603525 4.169023 4.870130 0.967928 0.000000 5.306184 5.761477 6.110375 5.942855 3.898959 6.701643 4.260311 4.746636 5.040621 5.599836 5.137490 4.223204 6.041627 6.676426 6.700787 3.582471 4.214905 1.804489 2.361716 2.189280 6.106110 5.124380 6.372724 5.585765 5.630355 5.687382 4.428777 5.256181 4.033040 2.925951 3.084224 2.056891 3.459968 3.583356 3.688463 3.851451 3.614046 4.346068 0.980191 1.571815 0.000000 3.841712 3.832686 3.278758 5.232682 3.834278 7.835631 3.644744 7.116639 6.492197 4.354552 4.868474 6.774510 3.948112 7.165315 6.631404 4.451140 5.094251 4.889048 4.155489 4.599573 9.649479 8.899051 9.538297 2.738730 2.988289 1.772933 5.678724 6.175411 4.931661 5.657112 5.251580 6.032420 7.404180 6.750804 7.262609 2.736798 2.874105 3.182564 6.754846 6.927398 6.095457 0.000000 3.228199 3.323882 2.454902 4.546310 3.508781 7.196981 4.036256 6.728406 6.013559 4.064116 4.538643 6.487660 3.479105 6.491424 5.903328 4.859296 5.567896 5.364036 4.599024 5.098739 9.284270 8.595494 9.152284 3.005854 2.946990 2.165282 5.300275 5.664846 4.559984 5.629623 5.347208 6.085591 7.201460 6.507366 7.001719 2.980271 2.894492 3.249974 6.914489 6.983659 6.350462 0.961890 0.000000 3.730149 3.974416 3.282177 5.113218 3.379732 7.422938 3.508440 6.712106 6.157017 3.680933 4.160184 6.380737 3.452895 6.771666 6.344195 4.149850 4.882711 4.071374 3.267866 3.916780 8.964292 8.188592 8.837352 3.036838 3.280845 2.167516 4.999144 5.604845 4.298560 5.214155 4.875212 5.452867 6.674787 6.010582 6.627273 1.781771 2.088202 2.279722 5.997867 6.139623 5.292873 0.980469 1.522682 0.000000 5.510814 6.434585 6.265536 4.376661 5.405711 1.768160 8.504163 3.049708 3.142538 6.882608 5.980048 4.008220 6.820480 2.746657 3.139237 8.399811 9.184663 8.143885 7.946598 8.271602 2.778693 2.990322 3.150111 8.841462 8.093055 8.970471 4.284910 3.601218 4.519083 5.759813 6.692713 5.847486 3.699693 3.813338 3.229977 7.604452 6.800303 7.428782 6.311787 5.567169 6.895869 9.073025 8.509210 8.628338 0.000000 5.961555 6.958380 6.695164 4.977426 5.632744 2.203588 8.713259 3.378601 3.622135 6.834916 5.886442 4.273434 6.908432 3.097420 3.679582 8.526224 9.317237 7.959165 7.797783 8.185459 1.817042 2.162409 2.265163 9.181373 8.500861 9.278621 4.164872 3.599287 4.545661 5.886495 6.842336 5.807698 3.236115 3.436496 2.985665 7.600125 6.865584 7.386581 6.010748 5.189800 6.616761 9.325446 8.826808 8.790169 0.978149 0.000000 2.062422 2.550023 3.192207 2.747537 0.987175 4.764017 3.199485 2.875633 2.556161 4.556422 4.113978 2.448834 4.443514 4.586617 4.188440 3.235845 4.133381 3.670472 3.431999 3.412870 5.985844 5.171551 6.205824 3.709837 3.221338 3.871748 3.239262 3.656817 2.309856 1.736769 2.098011 2.207013 3.608183 3.337572 3.151982 3.200459 2.258424 3.672486 3.398695 3.390698 3.350282 4.394684 4.199970 3.937982 5.369229 5.567920 0.000000 5.090618 5.877254 6.022156 3.998781 4.950282 2.218476 7.817620 2.197580 2.446282 6.929295 6.042982 3.139283 6.852127 3.109622 3.283943 7.676802 8.420031 7.634917 7.511558 7.681055 3.110880 3.060975 3.646404 8.221941 7.475847 8.435357 4.277590 3.728098 4.323189 4.973986 5.909664 5.111764 3.397400 3.642478 2.724531 7.289332 6.434461 7.235643 5.718923 5.065392 6.351541 8.706296 8.186773 8.279114 0.963306 1.535515 4.771125 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7095,-1.5992,-.9718;-1.6266,-1.4433,-2.0291;-1.1196,-2.646,-.1364;.5449,-1.9464,-1.5573;-.5836,-.3933,-.1776;3.6886,-1.7573,-.3407;-3.5649,1.3269,-1.1509;2.0373,.6282,-2.0011;1.6518,-.2457,-1.8623;-.3579,-1.7945,3.2617;.4289,-1.3766,2.8603;1.2661,1.1812,-2.2039;-.5809,-2.4889,2.6361;3.0543,-2.288,.1907;2.3771,-2.5711,-.4315;-3.1792,2.2463,-1.0911;-3.7961,2.8184,-1.5487;-2.0913,2.8165,1.6074;-2.0985,1.912,1.9623;-2.5692,2.7366,.7689;5.2161,1.1084,.8539;4.3039,1.4742,.8308;5.2257,.5411,1.6267;-4.1193,-.176,-1.3836;-3.3656,-.6219,-1.7922;-4.2327,-.6594,-.5355;1.507,-.5916,1.5973;2.1198,-1.2449,1.178;.7666,-.5139,.9558;-.4344,1.9354,-1.5819;-1.3914,2.0834,-1.6767;-.1473,2.6033,-.9057;2.5684,1.7088,.6504;2.2023,.9444,1.1509;2.4335,1.4402,-.2767;-2.1212,.002,2.0317;-1.6131,-.0992,1.197;-1.6006,-.5236,2.6699;.2809,3.5463,.4066;1.0569,3.069,.7335;-.4722,3.324,.9932;-4.0398,-1.6181,.9433;-3.4217,-2.2887,.6376;-3.4728,-1.0106,1.4638;4.7092,-.6353,-1.2494;5.0236,-.0178,-.5591;-.5236,.4377,-.707;4.0931,-.1153,-1.7766; 0.2771438 0.1662401 0.1484960 -24.53876 -24.53671 -24.53621 -19.04499 -19.04352 -19.04278 -19.03658 -19.03402 -19.03325 -19.03145 -19.03035 -19.02984 -19.02902 -19.02808 -19.02472 -19.01992 -19.01990 -19.01475 -6.74631 -1.09423 -1.04998 -1.04854 -0.94586 -0.94122 -0.93645 -0.93494 -0.93041 -0.92944 -0.92561 -0.92378 -0.91648 -0.91618 -0.91293 -0.91015 -0.90802 -0.89939 -0.89236 -0.47299 -0.46078 -0.45778 -0.45571 -0.44946 -0.44805 -0.44426 -0.44367 -0.44201 -0.44075 -0.43938 -0.43685 -0.43513 -0.43406 -0.42706 -0.42000 -0.39760 -0.39349 -0.35494 -0.35058 -0.34294 -0.33394 -0.32872 -0.32485 -0.32174 -0.31538 -0.31515 -0.31093 -0.30806 -0.30718 -0.30287 -0.30147 -0.29838 -0.29433 -0.28079 -0.27910 -0.27755 -0.26399 -0.25342 -0.24534 -0.24448 -0.23945 -0.23518 -0.23377 -0.23222 -0.23139 -0.22919 -0.22758 -0.22685 -0.22373 -0.22292 -0.22011 -0.21843 -0.21232 0.07831 0.09496 0.10258 0.11532 0.12496 0.13278 0.14736 0.15349 0.15617 0.17042 0.17500 0.18102 0.18961 0.19256 0.19881 0.20522 0.21258 0.21299 0.21545 0.21747 0.21967 0.22739 0.23505 0.23776 0.24030 0.24275 0.24457 0.25389 0.25685 0.26061 0.26488 0.26668 0.26979 0.27158 0.27800 0.28125 0.28344 0.28706 0.28808 0.29313 0.29497 0.29814 0.30261 0.30405 0.31038 0.31446 0.31521 0.32156 0.32243 0.32582 0.33145 0.33251 0.33445 0.33842 0.34053 0.34503 0.35056 0.35121 0.35256 0.35788 0.35865 0.36076 0.36440 0.36865 0.37063 0.37236 0.37572 0.37738 0.38239 0.38444 0.38699 0.39067 0.39425 0.39968 0.40570 0.41123 0.42093 0.42633 0.43687 0.44371 0.44650 0.45326 0.45789 0.46821 0.47396 0.47507 0.48468 0.49798 0.50026 0.50450 0.50965 0.52234 0.53683 0.53879 0.55175 0.55784 0.56101 0.56781 0.57576 0.58555 0.59349 0.60214 0.60522 0.60886 0.61418 0.61695 0.62094 0.62447 0.63149 0.63579 0.63733 0.63879 0.64776 0.65422 0.65716 0.66383 0.67120 0.67656 0.68544 0.68629 0.69070 0.69548 0.70254 0.70405 0.71124 0.71834 0.73130 0.73787 0.74350 0.75114 0.75218 0.75685 0.76512 0.77489 0.77840 0.79889 0.80378 0.82349 0.83093 0.83838 0.86664 0.92219 1.01657 1.02836 1.03380 1.04694 1.06101 1.06465 1.06814 1.06939 1.07990 1.08549 1.08992 1.09310 1.09632 1.10279 1.10948 1.11151 1.11794 1.12714 1.12882 1.13278 1.14139 1.14679 1.15028 1.15786 1.16166 1.16718 1.17087 1.17384 1.17716 1.18173 1.18883 1.19872 1.20558 1.20698 1.21552 1.22111 1.22458 1.23228 1.23519 1.24474 1.25211 1.26661 1.28295 1.30055 1.31225 1.33443 1.33746 1.34079 1.34369 1.35653 1.36335 1.36616 1.37811 1.39035 1.39903 1.40522 1.41038 1.41387 1.42004 1.42552 1.43189 1.43521 1.44449 1.45336 1.46026 1.46325 1.46775 1.47508 1.48045 1.48436 1.48937 1.49421 1.50186 1.51009 1.51279 1.52638 1.52888 1.53576 1.54159 1.54819 1.55483 1.56305 1.56631 1.57455 1.57941 1.58646 1.59375 1.59906 1.60821 1.61579 1.62175 1.63036 1.63983 1.64172 1.65629 1.65755 1.66411 1.67326 1.67982 1.68176 1.69026 1.69660 1.71866 1.72088 1.72460 1.73200 1.73958 1.75480 1.76579 1.77307 1.77946 1.79250 1.79668 1.80348 1.81716 1.82258 1.83080 1.83632 1.84754 1.85894 1.86771 1.87614 1.88261 1.89081 1.89371 1.91000 1.92536 1.93422 1.94150 1.95771 1.95879 2.02825 2.10747 2.11503 2.12281 2.14280 2.16108 2.17961 2.21866 2.23169 2.25545 2.27532 2.28666 2.30070 2.30430 2.32912 2.33320 2.34751 2.37143 2.38391 2.40052 2.41044 2.41656 2.43534 2.44542 2.45138 2.46063 2.47548 2.50895 2.52243 2.52564 2.53086 2.54442 2.56858 2.58810 2.60410 2.61804 2.66534 2.66740 2.68960 2.73584 2.74819 2.74934 2.75554 2.77510 2.77720 2.78731 2.79754 2.80807 2.81007 2.81732 2.83556 2.84774 2.85616 2.86262 2.87530 2.89081 2.90736 2.91527 2.92819 2.94001 2.94999 2.96471 2.98979 3.01602 3.08764 3.15522 3.16649 3.17068 3.17923 3.18773 3.19032 3.19648 3.19836 3.20601 3.21001 3.21547 3.21657 3.22058 3.22411 3.22850 3.23200 3.23624 3.24152 3.24355 3.25450 3.26035 3.26871 3.27230 3.27826 3.28547 3.28849 3.28925 3.29094 3.29869 3.31220 3.34360 3.40367 3.40604 3.41841 3.42346 3.42527 3.43667 3.44043 3.44759 3.45447 3.45731 3.46745 3.47280 3.49287 3.49891 3.67055 3.76100 3.78885 3.79785 3.79923 3.80893 3.81335 3.81911 3.82710 3.83873 3.84266 3.85553 3.86276 3.88446 3.88758 3.89672 3.91734 3.92317 3.93059 3.95505 3.96023 3.98040 3.99501 4.00086 4.00441 4.01057 4.01186 4.02202 4.02721 4.03115 4.03600 4.04043 4.05273 4.05601 4.07562 4.08752 4.08914 4.10151 4.13631 4.21787 4.34307 4.36768 4.51663 4.76539 4.78152 5.09808 5.10451 5.10726 5.11414 5.12197 5.12905 5.13117 5.14221 5.14574 5.16448 5.21886 5.24114 5.30147 5.32635 5.37672 5.45801 5.47401 5.48812 5.49385 5.50559 5.51033 5.52096 5.52738 5.53651 5.54940 5.56438 5.57711 5.60306 5.60937 5.62969 5.72403 5.74058 5.75326 5.76037 5.76631 5.77257 5.77812 5.78392 5.79498 5.80954 5.81718 5.82421 5.83180 5.84392 5.88626 6.47273 6.47804 6.51774 6.53418 6.56823 6.58356 6.60235 6.72958 6.77576 14.71542 49.97029 49.99000 49.99841 50.00430 50.01326 50.01760 50.02062 50.02970 50.03306 50.04238 50.04408 50.05190 50.07258 50.09064 50.11557 66.95886 66.97056 66.97866 1-A. -0.6210 0.5294 -0.6841 1.0648 -183.4947 -159.1032 -148.7216 -7.6649 11.9932 -7.9948 -19.7215 4.6700 15.0515 -7.6649 11.9932 -7.9948 -82.8493 -65.5247 -39.1453 -37.8585 31.6148 15.4144 21.6272 21.3053 -34.4635 15.5416 -7093.1266 -2902.4961 -2004.4061 -315.2090 291.9543 -14.1209 -111.2436 95.0525 69.5022 -1476.4223 -1269.4118 -793.9219 -118.3635 66.0477 -6.9092 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9346,.7634,-1.5446;1.8296,-.0442,-2.2929;1.4649,2.0596,-1.3893;-.2899,.8553,-2.3127;.662,.2029,-.2398;-3.3369,1.4304,-1.7025;3.5199,-1.9466,.0778;-1.7947,-1.4689,-1.6305;-1.3273,-.6765,-1.9465;-.0225,2.975,2.6107;-.6873,2.5263,2.0397;-1.0755,-2.0943,-1.4241;.2104,3.7763,2.1321;-2.7079,2.1468,-1.465;-1.9154,1.9627,-1.9903;3.0711,-2.6934,.5687;3.7067,-3.4139,.5956;1.7216,-1.6915,2.9499;1.8149,-.7261,2.8366;2.2597,-2.0675,2.2319;-5.3535,-.685,.5549;-4.4363,-.8561,.8723;-5.6769,.044,1.0917;4.1254,-.7281,-.8577;3.4292,-.5686,-1.5167;4.1993,.1404,-.4023;-1.5083,1.4608,.8851;-2.0161,1.8211,.1171;-.7254,1.0287,.4705;.3843,-2.5591,-.2852;1.3215,-2.8058,-.1876;-.0271,-2.771,.5922;-2.6776,-1.0146,1.0527;-2.3328,-.0996,1.1638;-2.4089,-1.2315,.135;1.9111,.9896,2.0745;1.4728,.7093,1.2399;1.3336,1.6971,2.4249;-.7111,-2.7988,2.1644;-1.4342,-2.159,2.0415;.0269,-2.333,2.6122;3.8764,1.8036,.2568;3.2146,2.1166,-.3785;3.3439,1.615,1.0554;-4.3147,-.0814,-2.0117;-4.824,-.2794,-1.2021;.565,-.7757,-.258;-3.6475,-.7837,-2.0554; 0.000000 1.418939 0.000000 1.409089 2.318579 0.000000 1.448391 2.302602 2.320020 0.000000 1.446023 2.374773 2.326719 2.372511 0.000000 4.326170 5.405209 4.853053 3.160283 4.431501 0.000000 4.081669 3.477951 4.735493 5.299029 3.590030 7.847907 0.000000 3.526949 3.950152 4.809734 2.851605 3.280855 3.284742 5.602758 0.000000 2.711281 3.238193 3.948847 1.885932 2.764685 2.921798 5.404290 0.972719 0.000000 4.803462 6.049084 4.364645 5.366925 4.034685 5.654608 6.571653 6.393420 5.983582 0.000000 4.311020 5.631477 4.075248 4.678971 3.523477 4.714359 6.446399 5.536882 5.153271 0.984572 0.000000 3.495967 3.660226 4.869345 3.179207 3.114270 4.197087 4.836834 0.975214 1.531898 6.564035 5.787772 0.000000 4.808272 6.066190 4.113478 5.342113 4.312671 5.726353 6.922713 6.759349 6.231065 0.961939 1.541775 6.983144 0.000000 3.897154 5.106388 4.174425 2.869365 4.078782 0.982573 7.610614 3.732929 3.179444 4.950507 4.063105 4.544684 4.910214 0.000000 3.124004 4.259646 3.434716 1.993109 3.578337 1.544980 7.007283 3.452523 2.704270 5.077025 4.250410 4.181616 4.980146 0.968451 0.000000 4.580450 4.092467 5.385632 5.673854 3.853024 7.951578 1.000076 5.478305 5.453494 6.772865 6.598090 4.639451 7.244641 7.807745 7.286529 0.000000 5.451176 4.818904 6.239009 6.531285 4.800935 8.852208 1.567220 6.245284 6.268749 7.667230 7.528517 5.356271 8.141488 8.735841 8.197755 0.961146 0.000000 5.181317 5.496525 5.741527 6.182792 3.858128 7.548478 3.398218 5.778668 5.856641 4.993352 4.941750 5.207437 5.731412 7.337824 7.140446 2.914631 3.528440 0.000000 4.710434 5.174633 5.073531 5.783262 3.414110 7.196897 3.465204 5.790965 5.723083 4.138298 4.180197 5.327278 4.831359 6.871137 6.666590 3.254507 3.978105 0.976509 0.000000 4.902236 4.975180 5.547792 5.974682 3.717042 7.683584 2.498574 5.631531 5.679838 5.547929 5.461218 4.948783 6.193518 7.490295 7.176428 1.953545 2.565916 0.972868 1.537198 0.000000 6.785737 7.753586 7.602919 6.019623 6.132455 3.692860 8.975382 4.249227 4.739972 6.785382 5.855776 4.919823 7.303979 4.370159 5.030792 8.660800 9.462395 7.537020 7.522943 7.917431 0.000000 6.108306 7.066837 6.960009 5.501494 5.324640 3.614782 8.069850 3.690278 4.200492 6.097611 5.182473 4.254702 6.681192 4.179493 4.742947 7.735007 8.539803 6.552414 6.553876 6.939251 0.985565 0.000000 7.153980 8.234743 7.824590 6.424007 6.479220 3.899391 9.464222 4.977010 5.354283 6.547538 5.652992 5.663456 7.047932 4.446754 5.227726 9.181228 10.012737 7.823187 7.730771 8.291461 0.961275 1.548277 0.000000 3.588593 2.792565 3.890023 4.911174 3.639175 7.814085 1.651198 6.016111 5.560644 6.553483 6.492152 5.407128 6.674976 7.438304 6.709324 2.647371 3.082395 4.604779 4.357303 3.849721 9.583758 8.735768 10.024073 0.000000 2.828152 1.853704 3.283684 4.061187 3.143756 7.057742 2.109368 5.302108 4.777136 6.442667 6.258802 4.756961 6.523278 6.711243 5.932720 2.998656 3.554534 4.911977 4.645686 4.203173 9.024543 8.225436 9.492152 0.971867 0.000000 3.514455 3.037105 3.483434 4.930906 3.541577 7.755634 2.246719 6.326622 5.796169 5.910773 5.961116 5.819094 5.962716 7.270797 6.575124 3.200999 3.724529 4.553284 4.114231 3.946676 9.636133 8.785948 9.989066 0.983426 1.528991 0.000000 3.515282 4.848323 3.790991 3.475151 2.749186 3.168662 6.127358 3.872029 3.552191 2.734630 1.772677 4.261261 3.141782 2.726225 2.947084 6.190999 7.144404 4.963089 4.431071 5.334849 4.415762 3.733806 4.407626 6.290254 5.853762 5.998150 0.000000 3.547724 4.906834 3.800484 3.133103 3.149346 2.282200 6.696563 3.731888 3.312191 3.394618 2.441090 4.311707 3.583309 1.757179 2.114551 6.816481 7.770746 5.859421 5.344153 6.154343 4.196503 3.687193 4.184454 6.720624 6.166994 6.459547 0.988642 0.000000 2.624181 3.913502 3.052707 2.822359 1.763933 3.421041 5.198942 3.434433 3.018550 2.976986 2.169418 3.669548 3.344509 2.987713 2.888568 5.317652 6.276625 4.419791 3.889834 4.647584 4.935972 4.181547 5.086581 5.327361 4.874572 5.079723 0.985657 1.555192 0.000000 3.595620 3.527695 4.870324 4.027926 2.776311 5.636772 3.215402 2.783261 3.038784 6.259284 5.693398 1.908986 6.783156 5.753269 5.351969 2.822421 3.541823 3.606460 3.892569 3.177164 6.094388 5.242067 6.738732 4.204342 3.840614 4.675016 4.594692 5.011028 3.830840 0.000000 3.838068 3.509546 5.013720 4.529565 3.080555 6.476258 2.375195 3.685112 3.826791 6.561624 6.117778 2.789414 7.066789 6.511282 6.038753 1.909372 2.583052 3.353397 3.703278 2.697973 7.043154 6.170747 7.663933 3.553580 3.348738 4.124112 5.230889 5.713216 4.396202 0.974022 0.000000 4.240634 4.382525 5.430250 4.653813 3.164015 5.820031 3.677690 3.124147 3.538751 6.090237 5.531004 2.371199 6.730123 5.966903 5.713431 3.099275 3.788717 3.127553 3.551300 2.900480 5.720517 4.815295 6.331983 4.849652 4.609145 5.227634 4.493053 5.026848 3.865275 0.991952 1.558219 0.000000 4.791102 5.696399 5.707393 4.530241 3.782267 3.742156 6.342518 2.860953 3.306400 5.039207 4.180054 3.141161 5.697208 4.041529 4.324902 6.008342 6.835521 4.838396 4.842302 5.184201 2.741783 1.775098 3.180898 7.071936 6.640304 7.123394 2.742728 3.058417 2.885325 3.681119 4.554054 3.212792 0.000000 4.330832 5.410877 5.060007 4.143839 3.321247 3.400748 6.232560 3.157899 3.319266 4.109058 3.220266 3.500994 4.735870 3.478180 3.791544 6.023651 6.912512 4.707664 4.515986 5.109266 3.136603 2.254338 3.347956 6.796340 6.372316 6.721550 1.786706 2.210225 2.082725 3.941008 4.743815 3.574804 0.984042 0.000000 4.240251 5.026874 5.306756 3.851789 3.410059 3.365013 5.972061 1.884326 2.410511 5.433051 4.551034 2.225656 5.993885 3.749973 3.868251 5.688259 6.509676 5.019550 5.039285 5.185736 3.024206 2.189760 3.636159 6.628471 6.103412 6.770507 2.936263 3.077783 2.838178 3.121145 4.061883 2.872690 0.980424 1.531390 0.000000 3.755289 4.488811 3.652635 4.910147 2.744971 6.480873 3.898208 5.788182 5.425025 2.822850 3.019008 5.538057 3.265177 5.933100 5.666671 4.144563 4.980161 2.826716 1.879763 3.080925 7.608424 6.718737 7.709577 4.056004 4.198778 3.477304 3.650882 4.466007 3.086298 4.526847 4.457510 4.482788 5.110423 4.475076 5.230367 0.000000 2.836501 3.629833 2.955655 3.968513 1.761602 5.684288 3.548927 4.864116 4.462488 3.041144 2.933784 4.631519 3.434518 5.182723 4.846103 3.818865 4.733553 2.958022 2.174146 3.051913 7.000873 6.124015 7.182121 3.674552 3.613838 3.233333 3.094757 3.829990 2.350730 3.767419 3.796932 3.844696 4.498042 3.891377 4.478274 0.983462 0.000000 4.097306 5.053339 3.833650 5.078327 3.128029 6.238682 4.854413 6.021286 5.641243 1.872644 2.218159 5.915570 2.381245 5.627366 5.488233 5.073577 5.924569 3.450907 2.504588 3.881669 7.340967 6.497848 7.325168 4.944813 5.006199 4.316110 3.240935 4.069625 2.916524 5.134359 5.205930 5.017406 5.032510 4.273355 5.275110 0.978205 1.549017 0.000000 5.399418 5.823207 6.400593 5.794292 4.083524 6.303465 4.793877 4.164553 4.667215 5.831815 5.326548 3.675055 6.639399 6.451217 6.432979 4.106385 4.728218 2.785844 3.335944 3.060215 5.348944 4.395559 5.821609 6.067315 5.972116 6.272077 4.518368 5.218939 4.185585 2.693982 3.108558 1.714707 2.878578 3.303994 3.075261 4.608178 4.234462 4.945879 0.000000 5.197260 5.823347 6.162145 5.417975 3.895731 5.524672 5.333288 3.753598 4.255960 5.354916 4.744435 3.484695 6.159608 5.697185 5.785799 4.769940 5.485764 3.316992 3.638942 3.699908 4.443483 3.475294 4.874026 6.431311 6.232402 6.557125 3.800726 4.459047 3.623827 2.979986 3.602894 2.110621 1.957943 2.412244 2.333461 4.594052 4.161769 4.762087 0.973250 0.000000 5.262193 5.705119 6.113521 5.875420 3.868836 6.640450 4.332858 4.697378 5.035853 5.308243 4.944721 4.190966 6.130855 6.646156 6.588533 3.684179 4.333112 1.843196 2.414401 2.280460 5.991512 5.012903 6.363609 5.604795 5.633565 5.710896 4.442116 5.258871 4.056363 2.928113 3.120655 2.067652 3.388900 3.557252 3.644601 3.857272 3.637237 4.240781 0.980918 1.578217 0.000000 3.602912 3.755624 2.930911 4.985918 3.625034 7.483995 3.771296 6.814054 6.171178 4.702611 4.952604 6.522271 4.565905 6.814311 6.214450 4.579133 5.231236 4.910311 4.159812 4.636790 9.564161 8.749521 9.749794 2.777289 2.995475 1.817896 5.432046 5.894137 4.671422 5.614400 5.288777 6.022967 7.178408 6.557350 6.980767 2.798017 2.817979 3.343293 6.772371 6.862137 6.121872 0.000000 2.896404 3.201944 2.021413 4.196814 3.193300 6.719086 4.100135 6.286142 5.557751 4.488959 4.608689 6.101644 4.252325 6.021351 5.379404 4.904517 5.637220 5.273411 4.514072 5.023245 9.062706 8.302901 9.247466 3.025184 2.924461 2.208099 4.932780 5.262372 4.174617 5.466439 5.277367 5.944706 6.824216 6.169594 6.564826 2.997736 2.762863 3.401920 6.785130 6.763736 6.237353 0.969346 0.000000 3.645490 4.032009 3.115195 5.012518 3.296053 7.230039 3.697513 6.567249 6.006836 3.949870 4.248524 6.279961 3.955883 6.577142 6.087438 4.344398 5.062936 4.141748 3.315315 4.015064 9.010320 8.165293 9.156654 3.124201 3.375125 2.242994 4.857639 5.445365 4.152681 5.289592 5.017834 5.551135 6.570599 5.930998 6.484150 1.866206 2.086945 2.433840 6.095424 6.168108 5.386354 0.978151 1.524565 0.000000 5.337379 6.150905 6.194871 4.143370 5.290452 1.826831 8.320247 2.901929 3.046815 7.009359 6.030889 3.858762 7.247759 2.801098 3.152135 8.248166 9.069023 7.977890 7.841815 8.073175 2.833826 2.988744 3.391483 8.543233 7.775065 8.667695 4.318063 3.665431 4.503026 5.585819 6.520540 5.691957 3.597420 3.743287 3.092451 7.523617 6.685331 7.399394 6.148967 5.389104 6.730549 8.705972 8.011828 8.422564 0.000000 5.862233 6.746491 6.712417 4.804030 5.590605 2.320576 8.604517 3.282527 3.596978 6.941346 5.957567 4.170668 7.273968 3.230106 3.756082 8.443685 9.264401 7.878906 7.783651 8.072685 1.879342 2.187744 2.468527 8.967265 8.264253 9.068397 4.286966 3.746568 4.615976 5.758850 6.721546 5.695423 3.198680 3.440313 2.920080 7.596526 6.825692 7.414721 5.881849 5.054173 6.503653 9.064394 8.428363 8.683257 0.976680 0.000000 2.039807 2.505005 3.182603 2.759131 0.983557 4.709403 3.196124 2.816368 2.538006 4.758446 4.213173 2.406149 5.153563 4.550795 4.080697 3.262178 4.190365 3.530864 3.337883 3.277280 5.974788 5.128115 6.438541 3.610914 3.135468 3.750824 3.256850 3.680504 2.334910 1.792759 2.167628 2.248245 3.505577 3.297862 3.034180 3.220072 2.296349 3.728814 3.404266 3.346317 3.309528 4.228850 3.924354 3.893973 5.231556 5.493484 0.000000 4.863115 5.531873 5.887701 3.745105 4.779305 2.263418 7.567983 2.020654 2.325192 7.002893 6.040526 2.954944 7.294654 3.133597 3.247625 7.461438 8.248043 7.396224 7.333002 7.411103 3.119962 3.033078 3.835101 7.864863 7.100439 8.072127 4.273184 3.763821 4.266586 4.747810 5.680592 4.905812 3.264104 3.543981 2.555931 7.148301 6.269397 7.144192 5.521758 4.855430 6.139120 8.285454 7.636199 8.019357 0.969697 1.538364 4.579910 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7322,-1.6017,-.9321;-1.5515,-1.4002,-2.073;-1.2488,-2.648,-.1424;.5749,-1.9931,-1.4181;-.6251,-.4065,-.1252;3.5422,-1.8991,-.3348;-3.5463,1.3349,-1.2752;1.9397,.4457,-1.9852;1.5294,-.427,-1.8575;-.2163,-1.1399,3.8212;.5004,-1.0172,3.1573;1.1881,1.0229,-2.2151;-.3747,-2.0886,3.838;2.9055,-2.423,.1995;2.1755,-2.6159,-.407;-3.1738,2.262,-1.2337;-3.8236,2.8291,-1.6579;-2.0884,2.8143,1.4144;-2.1471,1.9361,1.8374;-2.5476,2.6991,.5644;5.237,1.2547,.5701;4.2856,1.4947,.6633;5.5115,.9589,1.4426;-4.0127,-.2401,-1.4443;-3.2414,-.6723,-1.8479;-4.1202,-.7291,-.5979;1.4267,-.6791,1.6842;2.0278,-1.3537,1.2831;.688,-.6037,1.036;-.4038,1.9077,-1.6429;-1.3511,2.091,-1.776;-.1017,2.5914,-.9908;2.5148,1.5819,.5767;2.1793,.8466,1.138;2.3498,1.2476,-.3301;-2.1171,.0791,2.1272;-1.591,-.0999,1.3157;-1.569,-.2785,2.8543;.3944,3.5172,.3646;1.1406,2.9733,.6723;-.3803,3.308,.9286;-3.84,-1.7424,.8852;-3.1023,-2.2934,.5822;-3.408,-1.1108,1.4945;4.5164,-.7185,-1.332;4.9238,-.0749,-.7206;-.5478,.4121,-.6648;3.8437,-.2074,-1.808; 0.2689618 0.1676373 0.1537954 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= 604 604 604 604 604 MxSgAt= 48 MxSgA2= 48. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 592 RedAO= T EigKep= 8.91D-05 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 604 604 604 604 604 MxSgAt= 48 MxSgA2= 48. 1 -2.44309726e-01 2.08282142e-01 -2.69151038e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 -0.001648823 -0.002372367 0.002033371 0.008027872 -0.004998370 -0.002003423 0.003335691 0.007795695 0.004229221 -0.010361115 -0.000420395 -0.002145585 -0.000763215 -0.001958028 0.003907192 -0.000983167 -0.000482201 -0.001606016 0.001982713 0.000215723 -0.000628385 -0.005426186 -0.000970209 0.002200567 0.003375830 0.005006469 -0.002318502 0.001563241 -0.000237749 0.003479629 -0.003013957 -0.001266599 -0.000984486 0.003085743 -0.001967194 0.000438819 0.001215727 0.002013504 -0.003342095 -0.001564461 0.001680808 0.002131790 0.004318548 -0.000488912 -0.003268084 -0.004650634 -0.000021418 0.002750775 0.002504056 -0.002696967 -0.000002049 -0.002038642 -0.002460777 0.001874264 0.000786068 0.004212763 -0.000298188 0.002919792 -0.001046420 -0.003282843 -0.002618540 -0.001436109 -0.002489323 0.002401618 -0.000695962 0.001433000 -0.001071466 0.003030988 0.002512460 0.001631417 -0.001335046 0.000912837 -0.003766320 0.001612707 -0.004193119 0.001295565 0.001447936 0.000665642 -0.000643267 0.001393356 0.002371136 -0.000387865 0.000197536 0.000361019 0.003077174 -0.001179134 -0.001800579 -0.001877917 0.000220355 -0.002037876 0.001448313 -0.000980411 0.000225517 0.000423381 -0.000986774 -0.000226026 -0.000248122 -0.003545822 0.002608833 0.000674646 0.001862365 0.000024929 0.000899761 -0.000330199 -0.003218830 0.001797859 -0.001831916 0.003040175 -0.002072528 -0.000310395 -0.003417956 -0.000554675 0.001425418 0.001098071 -0.000215274 -0.002675936 -0.000001748 -0.003635097 0.002319870 0.000196542 0.000677054 0.001097011 0.001985542 0.003363399 -0.001157501 0.000031219 -0.002839899 0.002593177 -0.003026297 -0.001525741 0.000167357 0.002262937 -0.001003243 0.002857219 -0.001195590 -0.001458176 -0.001528513 0.001072287 0.000228109 0.001977437 -0.001778584 0.003334751 -0.003746374 -0.000582191 0.010361115 0.002523251 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1471.39335844156 -1471.39335921519 -0.000000773624 -1471.39335921488 0.000000000310 -1471.39335922606 -0.000000011186 -1471.39335922638 -0.000000000318 -1471.39335922638 -0.000000000000 -1471.39335923 6 1.466797012662e+03 -7.699478735447e+03 2.664803374760e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT100508.500S Tue Nov 5 22:32:03 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 1.021561 -0.419387 -0.432299 -0.443213 -1.021439 0.407421 0.424428 -0.618701 0.258492 -0.588363 0.364346 0.365152 0.246955 -0.685791 0.277326 -0.776788 0.281325 -0.653000 0.357773 0.325058 -0.645749 0.384146 0.243500 -0.667908 0.275656 0.394440 -0.883272 0.469178 0.366714 -0.831416 0.364538 0.414933 -0.725695 0.377904 0.320890 -0.869456 0.407753 0.406924 -0.699558 0.342096 0.375698 -0.656457 0.264883 0.399984 -0.674814 0.387831 0.468925 0.297473 -1.00000 -24.54845 -24.54357 -24.54306 -19.04662 -19.04057 -19.04023 -19.03778 -19.03545 -19.03296 -19.02689 -19.02551 -19.02499 -19.02487 -19.02428 -19.02205 -19.02085 -19.01407 -19.01205 -6.75701 -1.09845 -1.05630 -1.05535 -0.94198 -0.93803 -0.93414 -0.93070 -0.92482 -0.92196 -0.92071 -0.91993 -0.91291 -0.91283 -0.90655 -0.90399 -0.90287 -0.89621 -0.89261 -0.47884 -0.46089 -0.45780 -0.45418 -0.45356 -0.44814 -0.44332 -0.44110 -0.43745 -0.43516 -0.43363 -0.43244 -0.42938 -0.42776 -0.42175 -0.41675 -0.40204 -0.39699 -0.35465 -0.35124 -0.34252 -0.33483 -0.32593 -0.32288 -0.32199 -0.31783 -0.31405 -0.31040 -0.30635 -0.30359 -0.29977 -0.29874 -0.29372 -0.28766 -0.28309 -0.27700 -0.27450 -0.27006 -0.25834 -0.24468 -0.24181 -0.23779 -0.23672 -0.23210 -0.23039 -0.22978 -0.22765 -0.22539 -0.22503 -0.22169 -0.21656 -0.21594 -0.21448 -0.20565 0.08069 0.09811 0.10192 0.11603 0.12618 0.13589 0.14776 0.15504 0.16046 0.16686 0.17617 0.18353 0.19216 0.19633 0.19989 0.20582 0.21091 0.21604 0.21685 0.21974 0.22428 0.23207 0.23705 0.23843 0.24377 0.24595 0.24875 0.25498 0.25686 0.26135 0.26574 0.27017 0.27420 0.27587 0.27973 0.28027 0.28391 0.28643 0.29047 0.29540 0.29622 0.30255 0.30735 0.30937 0.31371 0.31639 0.31972 0.32358 0.32576 0.32866 0.33173 0.33710 0.33939 0.34104 0.34350 0.34512 0.34995 0.35307 0.35522 0.35764 0.35924 0.36440 0.36513 0.36654 0.36896 0.37044 0.37200 0.37675 0.37895 0.38557 0.38750 0.39037 0.39236 0.39381 0.39927 0.40767 0.42134 0.42482 0.42812 0.43725 0.44445 0.44808 0.45184 0.45489 0.46986 0.47477 0.48153 0.48688 0.49701 0.49914 0.50424 0.51666 0.52994 0.53882 0.55124 0.55805 0.56467 0.57107 0.57651 0.58512 0.59333 0.59813 0.60279 0.60796 0.61371 0.62079 0.62679 0.62806 0.63167 0.63743 0.64092 0.64357 0.64946 0.65607 0.66114 0.66995 0.67272 0.68062 0.68298 0.68486 0.69567 0.69672 0.70874 0.71489 0.71976 0.72667 0.73272 0.73730 0.73935 0.74594 0.75148 0.75410 0.76876 0.77740 0.78804 0.79454 0.81489 0.82303 0.82905 0.83876 0.87211 0.92464 1.01724 1.03182 1.04601 1.05008 1.05683 1.06646 1.06763 1.07509 1.08660 1.08752 1.09133 1.09537 1.09987 1.10862 1.11411 1.11730 1.12274 1.12409 1.13362 1.13885 1.14104 1.14295 1.14620 1.15956 1.16215 1.16692 1.17334 1.17654 1.17997 1.18945 1.19352 1.20698 1.21057 1.21486 1.21586 1.22087 1.22570 1.22696 1.23287 1.24574 1.25932 1.27341 1.28870 1.30961 1.32568 1.33685 1.34544 1.35112 1.35374 1.36288 1.36713 1.36962 1.37454 1.38460 1.39321 1.39611 1.40592 1.41324 1.41729 1.42366 1.43684 1.43993 1.44130 1.45151 1.45663 1.45907 1.46749 1.46973 1.47378 1.48202 1.49126 1.49873 1.49904 1.50916 1.51119 1.51926 1.52807 1.53593 1.53968 1.54557 1.55532 1.55718 1.56036 1.57155 1.57866 1.58912 1.59031 1.60725 1.60869 1.61731 1.62643 1.63312 1.63725 1.63942 1.65041 1.65614 1.66884 1.67452 1.67930 1.68798 1.69594 1.70740 1.71155 1.72013 1.72606 1.73519 1.74897 1.75699 1.76346 1.77696 1.78434 1.79051 1.79613 1.79827 1.81802 1.82351 1.83110 1.84023 1.84509 1.85618 1.85734 1.87385 1.88578 1.89134 1.89467 1.91963 1.92863 1.93732 1.94578 1.96037 1.97371 2.03011 2.10484 2.10646 2.12147 2.14153 2.19143 2.24010 2.24416 2.25887 2.27137 2.28333 2.29326 2.30404 2.32232 2.33498 2.35416 2.35967 2.36347 2.37904 2.38379 2.39764 2.41554 2.41805 2.44146 2.44884 2.45594 2.46654 2.48785 2.49493 2.51144 2.52315 2.52686 2.54846 2.57915 2.59164 2.59885 2.60627 2.64005 2.66219 2.72925 2.73271 2.73569 2.76346 2.77590 2.78669 2.79420 2.80344 2.80779 2.81159 2.82209 2.82735 2.84033 2.84947 2.85363 2.86133 2.88072 2.89411 2.91005 2.92288 2.93576 2.94930 2.96403 2.97358 3.00701 3.05718 3.15638 3.16557 3.17509 3.17525 3.18028 3.18569 3.19731 3.20217 3.20555 3.20772 3.21335 3.21637 3.22194 3.22475 3.22754 3.23062 3.23964 3.24211 3.24860 3.26092 3.26263 3.27459 3.27564 3.28219 3.28873 3.29024 3.29123 3.30424 3.30524 3.31200 3.34283 3.39376 3.39919 3.40513 3.42097 3.42580 3.43480 3.44189 3.44354 3.44977 3.45402 3.46274 3.46558 3.48394 3.49158 3.66589 3.76854 3.78791 3.79531 3.80203 3.80751 3.81482 3.81929 3.82378 3.83861 3.84949 3.85962 3.86328 3.87461 3.88372 3.89339 3.90840 3.91928 3.93380 3.95887 3.96352 3.98611 3.98693 3.99788 3.99882 4.00181 4.01402 4.01862 4.02066 4.03095 4.03758 4.04345 4.04649 4.05316 4.06348 4.07576 4.08421 4.10418 4.12633 4.19444 4.32501 4.34072 4.49783 4.75491 4.77228 5.09474 5.09895 5.10753 5.11920 5.12574 5.13284 5.13767 5.14145 5.15199 5.17206 5.21258 5.23229 5.30453 5.32953 5.37167 5.44103 5.46357 5.47478 5.48539 5.49171 5.51118 5.52639 5.53568 5.54943 5.55900 5.56168 5.58127 5.59177 5.60706 5.63643 5.72635 5.73867 5.74416 5.74736 5.75435 5.77256 5.77344 5.77848 5.78361 5.80036 5.81502 5.82422 5.83710 5.84567 5.89777 6.46969 6.50129 6.52531 6.54511 6.57074 6.58339 6.62280 6.74289 6.79950 14.69354 49.95969 49.97943 49.99335 50.00553 50.01251 50.02123 50.02400 50.02977 50.03639 50.04031 50.04433 50.04956 50.06712 50.08587 50.10677 66.95109 66.96885 66.97532 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 0.987960 -0.421495 -0.406951 -0.443591 -0.928524 0.377440 0.413452 -0.631692 0.244410 -0.621782 0.373841 0.374221 0.234204 -0.641511 0.270624 -0.769801 0.285426 -0.679345 0.365504 0.339116 -0.653466 0.374858 0.247654 -0.643612 0.264621 0.373247 -0.823769 0.424956 0.347234 -0.817851 0.364137 0.401976 -0.719004 0.371884 0.325643 -0.847641 0.395052 0.426687 -0.687691 0.340859 0.366421 -0.648231 0.275811 0.365459 -0.661174 0.374775 0.438616 0.301040 -1.00000 -1.64186237e-01 3.44243299e-02 1.52237234e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.4173 0.0875 0.3869 0.5758 -179.2402 -160.0461 -144.6619 -7.1694 14.8559 -12.3830 -17.9241 1.2699 16.6542 -7.1694 14.8559 -12.3830 -51.0650 -65.4530 -33.4036 -36.7600 51.2744 41.2476 14.7054 -4.7927 -15.5768 25.6766 -6440.3247 -2907.1549 -2207.5469 -287.8636 421.6552 -37.7869 -140.6903 65.1057 -55.8640 -1482.5647 -1230.0678 -705.5994 -74.9237 84.7525 20.9366 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.3933592 5.572E-9 1.084E-5 -12.1514915,13.1856966,-1.034205,-10.9020171,-7.6546567,7.8939334 C01 [X(B1F3H29O15)] 0.1471956 0.0504601 0.1646376 0.000034285 -0.000034851 0.000022935 -0.000010177 0.000014811 0.000012613 0.000007102 0.000013058 0.000006105 -0.000032456 -0.000012274 -0.000008909 -0.000009478 0.000024049 -0.000014306 -0.000000624 0.000009821 0.000000753 -0.000000150 -0.000003628 0.000000719 -0.000000257 -0.000013897 -0.000004074 0.000013785 0.000024488 -0.000008944 0.000007584 -0.000017979 0.000031331 0.000000739 0.000010560 -0.000030884 -0.000001965 0.000006307 0.000019666 -0.000001868 0.000002956 -0.000008362 -0.000002484 -0.000007910 0.000008849 -0.000001378 0.000002254 0.000002502 0.000010120 0.000008618 -0.000007971 -0.000000852 -0.000000994 0.000000631 -0.000006883 0.000004959 0.000006734 0.000009454 0.000000505 -0.000003244 -0.000000828 -0.000003313 -0.000002495 0.000003801 -0.000002009 0.000009655 -0.000005883 0.000000484 -0.000009722 -0.000001538 0.000001170 -0.000008388 -0.000008910 0.000011984 0.000012678 0.000007256 -0.000009806 -0.000012565 0.000002678 0.000000064 -0.000005650 -0.000015935 -0.000001884 0.000008594 -0.000001049 0.000004060 -0.000002890 0.000019324 -0.000009312 -0.000003025 -0.000008492 -0.000019505 -0.000027942 -0.000009110 -0.000000587 0.000006954 0.000005239 0.000010298 -0.000002036 -0.000002804 -0.000004753 0.000000829 0.000012182 -0.000002034 -0.000007160 0.000000580 0.000001774 0.000000921 -0.000007231 0.000005717 -0.000002410 -0.000021650 -0.000010380 -0.000015613 -0.000002253 0.000006554 0.000010775 -0.000008903 0.000012969 -0.000002739 0.000002285 -0.000002445 0.000004257 0.000004446 -0.000009796 -0.000004013 0.000001923 -0.000011732 0.000002219 -0.000001858 -0.000004869 0.000000820 0.000009407 0.000010322 0.000002066 0.000011692 -0.000002783 -0.000007710 -0.000000136 0.000003414 0.000015684 0.000006948 -0.000002268 0.000017328 -0.000005680 -0.000002188 -0.000004569 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9346,.7634,-1.5446;1.8296,-.0442,-2.2929;1.4649,2.0596,-1.3893;-.2899,.8553,-2.3127;.662,.2029,-.2398;-3.3369,1.4304,-1.7025;3.5199,-1.9466,.0778;-1.7947,-1.4689,-1.6305;-1.3273,-.6765,-1.9465;-.0225,2.975,2.6107;-.6873,2.5263,2.0397;-1.0755,-2.0943,-1.4241;.2104,3.7763,2.1321;-2.7079,2.1468,-1.465;-1.9154,1.9627,-1.9903;3.0711,-2.6934,.5687;3.7067,-3.4139,.5956;1.7216,-1.6915,2.9499;1.8149,-.7261,2.8366;2.2597,-2.0675,2.2319;-5.3535,-.685,.5549;-4.4363,-.8561,.8723;-5.6769,.044,1.0917;4.1254,-.7281,-.8577;3.4292,-.5686,-1.5167;4.1993,.1404,-.4023;-1.5083,1.4608,.8851;-2.0161,1.8211,.1171;-.7254,1.0287,.4705;.3843,-2.5591,-.2852;1.3215,-2.8058,-.1876;-.0271,-2.771,.5922;-2.6776,-1.0146,1.0527;-2.3328,-.0996,1.1638;-2.4089,-1.2315,.135;1.9111,.9896,2.0745;1.4728,.7093,1.2399;1.3336,1.6971,2.4249;-.7111,-2.7988,2.1644;-1.4342,-2.159,2.0415;.0269,-2.333,2.6122;3.8764,1.8036,.2568;3.2146,2.1166,-.3785;3.3439,1.615,1.0554;-4.3147,-.0814,-2.0117;-4.824,-.2794,-1.2021;.565,-.7757,-.258;-3.6475,-.7837,-2.0554; Gaussian 16 GINC-GANDULLAS LAMSABHI Optimization 14H2OBF3OH CONF27 gas EM64L-G16RevC.01 138 C1[X(BF3H29O15)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9346,.7634,-1.5446;1.8296,-.0442,-2.2929;1.4649,2.0596,-1.3893;-.2899,.8553,-2.3127;.662,.2029,-.2398;-3.3369,1.4304,-1.7025;3.5199,-1.9466,.0778;-1.7947,-1.4689,-1.6305;-1.3273,-.6765,-1.9465;-.0225,2.975,2.6107;-.6873,2.5263,2.0397;-1.0755,-2.0943,-1.4241;.2104,3.7763,2.1321;-2.7079,2.1468,-1.465;-1.9154,1.9627,-1.9903;3.0711,-2.6934,.5687;3.7067,-3.4139,.5956;1.7216,-1.6915,2.9499;1.8149,-.7261,2.8366;2.2597,-2.0675,2.2319;-5.3535,-.685,.5549;-4.4363,-.8561,.8723;-5.6769,.044,1.0917;4.1254,-.7281,-.8577;3.4292,-.5686,-1.5167;4.1993,.1404,-.4023;-1.5083,1.4608,.8851;-2.0161,1.8211,.1171;-.7254,1.0287,.4705;.3843,-2.5591,-.2852;1.3215,-2.8058,-.1876;-.0271,-2.771,.5922;-2.6776,-1.0146,1.0527;-2.3328,-.0996,1.1638;-2.4089,-1.2315,.135;1.9111,.9896,2.0745;1.4728,.7093,1.2399;1.3336,1.6971,2.4249;-.7111,-2.7988,2.1644;-1.4342,-2.159,2.0415;.0269,-2.333,2.6122;3.8764,1.8036,.2568;3.2146,2.1166,-.3785;3.3439,1.615,1.0554;-4.3147,-.0814,-2.0117;-4.824,-.2794,-1.2021;.565,-.7757,-.258;-3.6475,-.7837,-2.0554; Optimization 14H2OBF3OH CONF27 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/gas/CONF27/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 R54 1 1 1 1 2 4 5 5 5 6 6 7 7 8 8 8 10 10 10 11 12 14 14 16 16 18 18 18 19 21 21 21 22 24 24 26 27 27 27 30 30 30 32 33 33 36 36 36 39 39 42 42 45 45 2 3 4 5 25 9 29 37 47 14 45 16 24 9 12 35 11 13 38 27 30 15 28 17 31 19 20 41 36 22 23 46 33 25 26 42 28 29 34 31 32 47 39 34 35 37 38 44 40 41 43 44 46 48 1.4189 1.4091 1.4484 1.446 1.8537 1.8859 1.7639 1.7616 0.9836 0.9826 1.8268 1.0001 1.6512 0.9727 0.9752 1.8843 0.9846 0.9619 1.8726 1.7727 1.909 0.9685 1.7572 0.9611 1.9094 0.9765 0.9729 1.8432 1.8798 0.9856 0.9613 1.8793 1.7751 0.9719 0.9834 1.8179 0.9886 0.9857 1.7867 0.974 0.992 1.7928 1.7147 0.984 0.9804 0.9835 0.9782 1.8662 0.9733 0.9809 0.9693 0.9782 0.9767 0.9697 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 2 2 2 3 3 4 1 1 1 1 1 29 29 37 9 9 12 11 11 13 10 8 6 6 15 7 7 17 19 19 20 18 22 22 23 7 7 25 2 11 11 11 28 28 29 12 12 12 31 31 32 16 22 22 34 27 19 19 19 37 37 38 10 32 32 40 18 26 26 43 36 6 6 46 1 1 1 1 1 1 2 4 5 5 5 5 5 5 8 8 8 10 10 10 11 12 14 14 14 16 16 16 18 18 18 19 21 21 21 24 24 24 25 27 27 27 27 27 27 30 30 30 30 30 30 31 33 33 33 34 36 36 36 36 36 36 38 39 39 39 41 42 42 42 44 45 45 45 3 4 5 4 5 5 25 9 29 37 47 37 47 47 12 35 35 13 38 38 27 30 15 28 28 17 31 31 20 41 41 36 23 46 46 25 26 26 24 28 29 34 29 34 34 31 32 47 32 47 47 30 34 35 35 33 37 38 44 38 44 44 36 40 41 41 39 43 44 44 42 46 48 48 110.1405 106.8397 111.9688 108.5583 109.1542 110.1067 118.9808 108.0912 109.2739 124.0356 112.8035 83.6369 113.3086 110.3065 103.7048 110.9996 97.0616 104.7529 96.9164 110.1016 164.6686 147.8177 104.7211 109.5464 97.5256 106.0722 105.1128 124.9508 104.1019 114.248 103.8195 162.6012 105.3561 94.3808 116.9525 104.0369 114.6432 102.882 161.5384 121.6482 99.7613 129.5723 103.9455 101.6826 92.8301 149.0079 105.2222 81.0177 104.8535 98.827 103.9371 155.0215 105.9962 101.3137 102.4377 162.9534 93.5075 118.9936 124.5113 104.3041 88.5234 113.9818 163.0659 99.7858 96.3621 107.7266 160.1573 100.3192 102.496 103.0404 158.1839 107.8506 103.8055 104.4403 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 14 16 4 21 24 14 5 30 8 5 21 5 14 16 4 21 24 14 5 30 8 5 21 5 6 7 9 22 26 28 29 32 35 37 46 47 6 7 9 22 26 28 29 32 35 37 46 47 45 24 8 33 42 27 27 39 33 36 45 30 45 24 8 33 42 27 27 39 33 36 45 30 7 4 6 6 1 1 8 6 5 7 5 7 7 4 6 6 1 1 8 6 5 7 5 7 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 171.1392 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 174.6151 182.2694 166.8416 164.2613 167.8609 179.1991 172.9253 174.7748 180.5506 164.981 180.097 177.3004 183.7079 188.3729 184.7903 180.1931 187.5364 178.0007 189.2931 176.4645 180.8369 178.6842 179.7841 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 3 4 5 2 3 5 2 2 2 3 3 3 4 4 4 1 1 1 1 1 1 37 37 37 47 47 47 1 1 1 29 29 29 37 37 37 1 1 1 29 29 29 47 47 47 9 9 12 12 6 6 6 15 15 15 15 15 28 28 17 17 31 31 9 35 13 38 11 13 10 10 10 8 8 8 7 17 20 41 19 20 18 18 18 23 23 46 46 22 22 23 23 7 26 7 7 25 25 11 28 29 12 32 47 12 12 31 31 47 47 22 35 19 37 44 19 37 38 32 40 26 43 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 14 14 14 14 14 14 14 14 14 14 16 16 16 16 8 8 10 10 10 10 11 11 11 12 12 12 16 16 18 18 18 18 19 19 19 21 21 21 21 21 21 21 21 24 24 24 24 24 24 27 27 27 30 30 30 30 30 30 30 30 30 33 33 36 36 36 36 36 36 39 39 42 42 2 2 2 4 4 4 5 5 5 5 5 5 5 5 5 25 8 8 27 27 27 27 27 27 27 27 27 30 30 30 30 30 30 30 30 30 36 36 36 36 36 36 36 36 36 33 33 33 33 27 27 27 27 27 27 45 45 45 45 24 24 24 24 12 12 11 11 38 38 27 27 27 30 30 30 31 31 19 19 41 41 36 36 36 33 33 33 33 45 45 45 45 25 25 42 42 42 42 34 34 34 31 31 31 39 39 39 39 39 39 34 34 38 38 38 44 44 44 41 41 44 44 25 25 25 9 9 9 29 37 47 29 37 47 29 37 47 24 12 35 11 28 34 11 28 34 11 28 34 12 31 32 12 31 32 12 31 32 19 38 44 19 38 44 19 38 44 22 34 22 34 11 29 34 11 29 34 46 48 46 48 25 26 25 26 30 30 27 27 36 36 28 29 34 31 32 47 30 30 36 36 39 39 37 38 44 34 35 34 35 6 48 6 48 2 2 43 44 43 44 33 33 33 16 16 16 40 41 40 41 40 41 27 27 10 10 10 42 42 42 18 18 36 36 70.25 -172.0272 -51.404 83.5055 -157.7373 -38.2997 -166.5787 97.9988 -39.5844 71.2023 -24.2203 -161.8034 -47.872 -143.2946 79.1223 10.9178 -29.3277 71.5307 -102.9538 23.7839 126.3153 20.9829 147.7207 -109.748 130.3386 -102.9237 -0.3923 -61.9468 86.6724 -165.5283 62.8864 -148.4945 -40.6952 154.5674 -56.8134 50.9859 -147.7313 91.314 -23.211 103.4356 -17.519 -132.044 -8.997 -129.9516 115.5234 108.83 0.1827 -143.8479 107.5049 -159.5585 93.4751 -0.2595 93.7806 -13.1858 -106.9204 146.1268 37.0565 44.8436 -64.2268 126.441 -122.8981 -6.287 104.3739 70.1451 -43.5514 99.7283 -13.2231 28.5153 -79.9997 -123.7691 -10.6094 91.3475 -127.6934 66.6213 -35.4836 -83.9636 153.4467 44.3885 -68.1479 109.26 -3.4449 17.753 126.2325 -72.8667 -37.3095 -142.1778 79.6195 -25.2488 -65.3937 40.7752 41.6466 147.8155 70.8943 -48.9784 -110.7285 -6.2283 -3.6808 100.8193 -145.2342 64.7694 -40.1002 132.048 -62.2415 44.8174 -29.3602 -137.8086 154.2684 45.8201 53.0549 -55.3934 -110.7686 -4.9726 -108.746 -6.4196 88.4173 91.6424 -1.5993 -106.612 -23.7919 -126.2182 -61.5058 42.361 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00023 0.00031 0.00043 0.00050 0.00051 0.00069 0.00087 0.00104 0.00109 0.00153 0.00186 0.00195 0.00256 0.00263 0.00308 0.00322 0.00346 0.00374 0.00421 0.00475 0.00513 0.00553 0.00582 0.00594 0.00671 0.00701 0.00737 0.00765 0.00776 0.00807 0.00844 0.00875 0.00925 0.00948 0.00976 0.00990 0.01011 0.01050 0.01106 0.01145 0.01196 0.01221 0.01237 0.01286 0.01334 0.01351 0.01405 0.01445 0.01466 0.01537 0.01572 0.01602 0.01609 0.01631 0.01664 0.01753 0.01774 0.01828 0.01853 0.01887 0.01947 0.02113 0.02136 0.02189 0.02250 0.02311 0.02357 0.02443 0.02465 0.02485 0.02579 0.02614 0.02716 0.02863 0.02985 0.03088 0.03172 0.03346 0.03796 0.03893 0.04108 0.04567 0.04989 0.05151 0.05230 0.05387 0.05632 0.05902 0.05933 0.06144 0.06309 0.06607 0.06754 0.07231 0.07527 0.07721 0.08383 0.09112 0.09266 0.10188 0.11149 0.11783 0.13169 0.16892 0.20015 0.22718 0.24243 0.27742 0.33403 0.36875 0.38184 0.39810 0.40278 0.42705 0.43359 0.44003 0.44240 0.44547 0.45030 0.45419 0.45761 0.46352 0.46619 0.47214 0.47407 0.47665 0.47705 0.48139 0.48486 0.48685 0.49348 0.50099 0.50738 0.51020 0.51301 0.53971 0.54181 0.54301 Angle between quadratic step and forces= 73.80 degrees. 1 2 0.00064273 0.00000078 0.00000067 0.00000020 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 R54 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 2.68141 2.66279 2.73706 2.73259 3.50299 3.56389 3.33335 3.32895 1.85865 1.85679 3.45221 1.88987 3.12031 1.83817 1.84289 3.56086 1.86057 1.81780 3.53878 3.34987 3.60746 1.83011 3.32059 1.81630 3.60819 1.84533 1.83845 3.48314 3.55224 1.86245 1.81655 3.55144 3.35445 1.83656 1.85841 3.43533 1.86826 1.86262 3.37639 1.84063 1.87452 3.38782 3.24033 1.85957 1.85273 1.85847 1.84854 3.52662 1.83918 1.85367 1.83180 1.84844 1.84566 1.83246 1.92231 1.86470 1.95422 1.89470 1.90510 1.92172 2.07661 1.88655 1.90719 2.16483 1.96879 1.45974 1.97761 1.92521 1.80999 1.93731 1.69404 1.82828 1.69151 1.92163 2.87401 2.57991 1.82773 1.91194 1.70214 1.85131 1.83456 2.18080 1.81692 1.99400 1.81199 2.83793 1.83881 1.64726 2.04121 1.81579 2.00090 1.79563 2.81938 2.12316 1.74116 2.26146 1.81419 1.77470 1.62019 2.60068 1.83647 1.41403 1.83004 1.72486 1.81405 2.70564 1.84998 1.76826 1.78788 2.84407 1.63201 2.07683 2.17313 1.82045 1.54503 1.98936 2.84604 1.74159 1.68184 1.88018 2.79527 1.75090 1.78889 1.79840 2.76083 1.88235 1.81175 1.82283 2.98694 3.04761 3.18120 2.91193 2.86690 2.92973 3.12761 3.01812 3.05040 3.15120 2.87946 3.14329 3.09448 3.20631 3.28773 3.22520 3.14496 3.27313 3.10670 3.30379 3.07989 3.15620 3.11863 3.13782 1.22609 -3.00244 -0.89717 1.45745 -2.75303 -0.66846 -2.90735 1.71040 -0.69088 1.24271 -0.42272 -2.82400 -0.83552 -2.50096 1.38094 0.19055 -0.51186 1.24845 -1.79688 0.41511 2.20462 0.36622 2.57821 -1.91546 2.27484 -1.79636 -0.00685 -1.08117 1.51272 -2.88901 1.09757 -2.59172 -0.71026 2.69771 -0.99158 0.88987 -2.57840 1.59373 -0.40511 1.80529 -0.30576 -2.30460 -0.15703 -2.26808 2.01626 1.89944 0.00319 -2.51062 1.87631 -2.78482 1.63145 -0.00453 1.63678 -0.23014 -1.86611 2.55039 0.64676 0.78267 -1.12097 2.20681 -2.14498 -0.10973 1.82167 1.22426 -0.76011 1.74059 -0.23079 0.49769 -1.39626 -2.16018 -0.18517 1.59431 -2.22867 1.16276 -0.61931 -1.46544 2.67815 0.77473 -1.18941 1.90695 -0.06013 0.30985 2.20317 -1.27176 -0.65117 -2.48147 1.38962 -0.44067 -1.14134 0.71166 0.72687 2.57987 1.23734 -0.85483 -1.93258 -0.10871 -0.06424 1.75963 -2.53482 1.13044 -0.69988 2.30467 -1.08632 0.78221 -0.51243 -2.40521 2.69249 0.79971 0.92598 -0.96680 -1.93328 -0.08679 -1.89798 -0.11204 1.54317 1.59946 -0.02791 -1.86073 -0.41525 -2.20292 -1.07348 0.73934 -0.00002 0.00001 0.00003 -0.00002 -0.00000 -0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -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 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00018 0.00006 0.00019 -0.00006 0.00072 -0.00121 -0.00043 -0.00062 -0.00003 0.00001 -0.00018 -0.00001 -0.00011 0.00006 0.00003 -0.00001 0.00006 0.00002 -0.00035 -0.00051 -0.00149 -0.00000 -0.00053 -0.00000 0.00052 0.00002 0.00001 -0.00009 -0.00035 -0.00002 0.00000 -0.00043 0.00016 -0.00003 0.00003 -0.00071 0.00003 0.00004 -0.00032 -0.00002 0.00001 0.00083 -0.00015 0.00001 0.00000 0.00004 0.00001 0.00046 -0.00001 -0.00000 0.00001 -0.00002 0.00004 -0.00000 0.00002 0.00002 0.00014 -0.00003 -0.00004 -0.00011 0.00075 0.00007 -0.00004 -0.00021 0.00003 -0.00044 0.00031 0.00030 0.00003 0.00005 -0.00048 -0.00001 -0.00015 0.00007 0.00032 0.00121 -0.00005 0.00020 -0.00011 0.00003 0.00044 -0.00006 0.00006 0.00010 -0.00016 0.00018 -0.00001 -0.00028 -0.00142 -0.00013 -0.00025 0.00008 -0.00134 -0.00032 0.00015 0.00048 0.00005 -0.00012 -0.00028 0.00021 0.00007 -0.00009 -0.00002 -0.00037 -0.00096 -0.00008 -0.00016 0.00005 -0.00004 0.00034 -0.00015 0.00031 -0.00133 0.00013 0.00039 0.00086 -0.00031 0.00027 0.00022 0.00009 0.00017 -0.00011 0.00094 -0.00009 -0.00060 -0.00047 0.00026 0.00004 -0.00012 0.00000 -0.00004 -0.00005 0.00048 0.00023 0.00001 0.00000 -0.00028 -0.00068 0.00043 0.00053 -0.00006 -0.00019 0.00014 -0.00008 0.00001 -0.00013 -0.00005 -0.00011 0.00004 -0.00009 0.00059 0.00066 -0.00038 -0.00040 -0.00045 -0.00019 -0.00016 -0.00030 -0.00001 0.00068 0.00039 -0.00010 0.00059 0.00029 0.00003 0.00072 0.00043 0.00050 0.00075 0.00022 0.00042 0.00017 -0.00003 0.00002 -0.00023 -0.00042 0.00017 -0.00008 -0.00027 -0.00030 -0.00009 -0.00037 -0.00046 -0.00026 -0.00053 -0.00052 -0.00031 -0.00059 0.00056 0.00022 -0.00077 0.00078 0.00044 -0.00055 0.00052 0.00018 -0.00081 -0.00044 -0.00026 -0.00063 -0.00045 -0.00009 -0.00034 -0.00008 -0.00006 -0.00030 -0.00004 0.00006 0.00008 0.00017 0.00019 -0.00006 -0.00016 -0.00035 -0.00045 -0.00031 -0.00021 0.00518 0.00515 -0.00096 -0.00090 -0.00493 -0.00489 -0.00496 0.00140 -0.00053 0.00050 -0.00004 -0.00048 0.00194 0.00204 -0.00024 -0.00027 -0.00187 -0.00173 -0.00216 0.00216 0.00223 0.00054 0.00061 -0.00074 -0.00044 -0.00106 -0.00076 -0.00032 -0.00003 0.00040 0.00046 0.00040 0.00045 -0.00111 -0.00104 -0.00102 -0.00163 0.00029 -0.00086 0.00080 0.00065 -0.00021 -0.00037 0.00048 0.00032 0.00091 0.00090 -0.00039 -0.00037 0.00039 0.00052 0.00044 0.00004 0.00056 0.00018 -0.00061 -0.00048 -0.00018 0.00006 0.00019 -0.00006 0.00072 -0.00121 -0.00043 -0.00062 -0.00003 0.00001 -0.00018 -0.00001 -0.00011 0.00006 0.00003 -0.00001 0.00006 0.00002 -0.00035 -0.00051 -0.00149 -0.00000 -0.00053 -0.00000 0.00052 0.00002 0.00001 -0.00009 -0.00035 -0.00002 0.00000 -0.00043 0.00016 -0.00003 0.00003 -0.00071 0.00003 0.00004 -0.00032 -0.00002 0.00001 0.00083 -0.00015 0.00001 0.00000 0.00004 0.00001 0.00046 -0.00001 -0.00000 0.00001 -0.00002 0.00004 -0.00000 0.00002 0.00002 0.00014 -0.00003 -0.00004 -0.00011 0.00075 0.00007 -0.00004 -0.00021 0.00003 -0.00044 0.00031 0.00030 0.00003 0.00005 -0.00048 -0.00001 -0.00015 0.00007 0.00032 0.00121 -0.00005 0.00020 -0.00011 0.00003 0.00044 -0.00006 0.00006 0.00010 -0.00016 0.00018 -0.00001 -0.00028 -0.00142 -0.00013 -0.00025 0.00008 -0.00134 -0.00032 0.00015 0.00047 0.00005 -0.00012 -0.00028 0.00021 0.00006 -0.00009 -0.00002 -0.00037 -0.00096 -0.00008 -0.00016 0.00005 -0.00004 0.00034 -0.00015 0.00031 -0.00133 0.00013 0.00039 0.00086 -0.00031 0.00027 0.00022 0.00008 0.00017 -0.00011 0.00094 -0.00009 -0.00060 -0.00047 0.00026 0.00004 -0.00012 0.00000 -0.00004 -0.00005 0.00048 0.00023 0.00001 0.00000 -0.00028 -0.00068 0.00043 0.00053 -0.00006 -0.00019 0.00014 -0.00008 0.00001 -0.00013 -0.00005 -0.00011 0.00004 -0.00009 0.00059 0.00066 -0.00038 -0.00040 -0.00045 -0.00019 -0.00016 -0.00030 -0.00001 0.00068 0.00039 -0.00010 0.00059 0.00029 0.00003 0.00072 0.00043 0.00050 0.00075 0.00022 0.00042 0.00017 -0.00003 0.00002 -0.00023 -0.00042 0.00017 -0.00008 -0.00027 -0.00030 -0.00009 -0.00037 -0.00046 -0.00026 -0.00053 -0.00052 -0.00031 -0.00059 0.00056 0.00023 -0.00077 0.00078 0.00044 -0.00055 0.00052 0.00018 -0.00081 -0.00044 -0.00026 -0.00063 -0.00045 -0.00009 -0.00034 -0.00008 -0.00006 -0.00030 -0.00004 0.00006 0.00008 0.00017 0.00019 -0.00006 -0.00016 -0.00035 -0.00045 -0.00031 -0.00021 0.00518 0.00515 -0.00096 -0.00090 -0.00493 -0.00489 -0.00496 0.00140 -0.00053 0.00050 -0.00004 -0.00048 0.00194 0.00204 -0.00024 -0.00027 -0.00187 -0.00173 -0.00216 0.00216 0.00223 0.00054 0.00061 -0.00074 -0.00044 -0.00106 -0.00076 -0.00032 -0.00003 0.00040 0.00046 0.00040 0.00045 -0.00111 -0.00104 -0.00102 -0.00163 0.00029 -0.00086 0.00080 0.00065 -0.00021 -0.00037 0.00048 0.00032 0.00091 0.00090 -0.00039 -0.00037 0.00039 0.00051 0.00044 0.00004 0.00056 0.00018 -0.00061 -0.00048 2.68123 2.66286 2.73725 2.73253 3.50371 3.56269 3.33292 3.32832 1.85863 1.85680 3.45203 1.88986 3.12020 1.83823 1.84291 3.56085 1.86064 1.81782 3.53844 3.34937 3.60597 1.83010 3.32006 1.81630 3.60871 1.84535 1.83846 3.48305 3.55189 1.86243 1.81655 3.55101 3.35461 1.83653 1.85843 3.43462 1.86829 1.86266 3.37606 1.84061 1.87453 3.38865 3.24018 1.85958 1.85274 1.85852 1.84855 3.52708 1.83916 1.85366 1.83181 1.84842 1.84570 1.83246 1.92234 1.86472 1.95436 1.89467 1.90506 1.92161 2.07736 1.88662 1.90715 2.16462 1.96882 1.45929 1.97792 1.92551 1.81002 1.93736 1.69356 1.82827 1.69136 1.92171 2.87433 2.58111 1.82767 1.91214 1.70204 1.85134 1.83500 2.18075 1.81698 1.99410 1.81183 2.83810 1.83880 1.64697 2.03979 1.81566 2.00066 1.79571 2.81804 2.12284 1.74132 2.26194 1.81425 1.77458 1.61991 2.60089 1.83654 1.41393 1.83002 1.72448 1.81308 2.70555 1.84982 1.76831 1.78783 2.84441 1.63187 2.07714 2.17180 1.82058 1.54542 1.99022 2.84573 1.74186 1.68205 1.88027 2.79544 1.75079 1.78983 1.79830 2.76022 1.88188 1.81201 1.82287 2.98682 3.04761 3.18116 2.91189 2.86738 2.92996 3.12763 3.01812 3.05011 3.15053 2.87989 3.14382 3.09441 3.20612 3.28786 3.22511 3.14497 3.27300 3.10665 3.30368 3.07993 3.15611 3.11922 3.13849 1.22571 -3.00284 -0.89762 1.45726 -2.75320 -0.66875 -2.90735 1.71108 -0.69049 1.24261 -0.42214 -2.82371 -0.83549 -2.50024 1.38137 0.19105 -0.51112 1.24866 -1.79647 0.41527 2.20459 0.36624 2.57798 -1.91588 2.27501 -1.79643 -0.00712 -1.08147 1.51263 -2.88938 1.09711 -2.59197 -0.71080 2.69719 -0.99190 0.88928 -2.57784 1.59396 -0.40588 1.80607 -0.30532 -2.30515 -0.15651 -2.26790 2.01545 1.89900 0.00293 -2.51125 1.87586 -2.78492 1.63111 -0.00460 1.63672 -0.23044 -1.86615 2.55046 0.64684 0.78284 -1.12078 2.20675 -2.14514 -0.11008 1.82122 1.22396 -0.76033 1.74576 -0.22563 0.49672 -1.39716 -2.16511 -0.19006 1.58935 -2.22727 1.16223 -0.61880 -1.46549 2.67767 0.77666 -1.18736 1.90670 -0.06040 0.30798 2.20144 -1.27392 -0.64901 -2.47924 1.39016 -0.44007 -1.14207 0.71122 0.72581 2.57911 1.23702 -0.85487 -1.93218 -0.10825 -0.06385 1.76008 -2.53593 1.12940 -0.70090 2.30304 -1.08602 0.78136 -0.51163 -2.40457 2.69228 0.79934 0.92646 -0.96648 -1.93237 -0.08589 -1.89837 -0.11241 1.54356 1.59998 -0.02747 -1.86069 -0.41469 -2.20275 -1.07409 0.73886 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000005 0.004488 0.000643 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.660637e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 611 A 592 A 592 916 611 91 91 2096.5442444967 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0592556983 0.000000 1.418939 0.000000 1.409089 2.318579 0.000000 1.448391 2.302602 2.320020 0.000000 1.446023 2.374773 2.326719 2.372511 0.000000 4.326170 5.405209 4.853053 3.160283 4.431501 0.000000 4.081669 3.477951 4.735493 5.299029 3.590030 7.847907 0.000000 3.526949 3.950152 4.809734 2.851605 3.280855 3.284742 5.602758 0.000000 2.711281 3.238193 3.948847 1.885932 2.764685 2.921798 5.404290 0.972719 0.000000 4.803462 6.049084 4.364645 5.366925 4.034685 5.654608 6.571653 6.393420 5.983582 0.000000 4.311020 5.631477 4.075248 4.678971 3.523477 4.714359 6.446399 5.536882 5.153271 0.984572 0.000000 3.495967 3.660226 4.869345 3.179207 3.114270 4.197087 4.836834 0.975214 1.531898 6.564035 5.787772 0.000000 4.808272 6.066190 4.113478 5.342113 4.312671 5.726353 6.922713 6.759349 6.231065 0.961939 1.541775 6.983144 0.000000 3.897154 5.106388 4.174425 2.869365 4.078782 0.982573 7.610614 3.732929 3.179444 4.950507 4.063105 4.544684 4.910214 0.000000 3.124004 4.259646 3.434716 1.993109 3.578337 1.544980 7.007283 3.452523 2.704270 5.077025 4.250410 4.181616 4.980146 0.968451 0.000000 4.580450 4.092467 5.385632 5.673854 3.853024 7.951578 1.000076 5.478305 5.453494 6.772865 6.598090 4.639451 7.244641 7.807745 7.286529 0.000000 5.451176 4.818904 6.239009 6.531285 4.800935 8.852208 1.567220 6.245284 6.268749 7.667230 7.528517 5.356271 8.141488 8.735841 8.197755 0.961146 0.000000 5.181317 5.496525 5.741527 6.182792 3.858128 7.548478 3.398218 5.778668 5.856641 4.993352 4.941750 5.207437 5.731412 7.337824 7.140446 2.914631 3.528440 0.000000 4.710434 5.174633 5.073531 5.783262 3.414110 7.196897 3.465204 5.790965 5.723083 4.138298 4.180197 5.327278 4.831359 6.871137 6.666590 3.254507 3.978105 0.976509 0.000000 4.902236 4.975180 5.547792 5.974682 3.717042 7.683584 2.498574 5.631531 5.679838 5.547929 5.461218 4.948783 6.193518 7.490295 7.176428 1.953545 2.565916 0.972868 1.537198 0.000000 6.785737 7.753586 7.602919 6.019623 6.132455 3.692860 8.975382 4.249227 4.739972 6.785382 5.855776 4.919823 7.303979 4.370159 5.030792 8.660800 9.462395 7.537020 7.522943 7.917431 0.000000 6.108306 7.066837 6.960009 5.501494 5.324640 3.614782 8.069850 3.690278 4.200492 6.097611 5.182473 4.254702 6.681192 4.179493 4.742947 7.735007 8.539803 6.552414 6.553876 6.939251 0.985565 0.000000 7.153980 8.234743 7.824590 6.424007 6.479220 3.899391 9.464222 4.977010 5.354283 6.547538 5.652992 5.663456 7.047932 4.446754 5.227726 9.181228 10.012737 7.823187 7.730771 8.291461 0.961275 1.548277 0.000000 3.588593 2.792565 3.890023 4.911174 3.639175 7.814085 1.651198 6.016111 5.560644 6.553483 6.492152 5.407128 6.674976 7.438304 6.709324 2.647371 3.082395 4.604779 4.357303 3.849721 9.583758 8.735768 10.024073 0.000000 2.828152 1.853704 3.283684 4.061187 3.143756 7.057742 2.109368 5.302108 4.777136 6.442667 6.258802 4.756961 6.523278 6.711243 5.932720 2.998656 3.554534 4.911977 4.645686 4.203173 9.024543 8.225436 9.492152 0.971867 0.000000 3.514455 3.037105 3.483434 4.930906 3.541577 7.755634 2.246719 6.326622 5.796169 5.910773 5.961116 5.819094 5.962716 7.270797 6.575124 3.200999 3.724529 4.553284 4.114231 3.946676 9.636133 8.785948 9.989066 0.983426 1.528991 0.000000 3.515282 4.848323 3.790991 3.475151 2.749186 3.168662 6.127358 3.872029 3.552191 2.734630 1.772677 4.261261 3.141782 2.726225 2.947084 6.190999 7.144404 4.963089 4.431071 5.334849 4.415762 3.733806 4.407626 6.290254 5.853762 5.998150 0.000000 3.547724 4.906834 3.800484 3.133103 3.149346 2.282200 6.696563 3.731888 3.312191 3.394618 2.441090 4.311707 3.583309 1.757179 2.114551 6.816481 7.770746 5.859421 5.344153 6.154343 4.196503 3.687193 4.184454 6.720624 6.166994 6.459547 0.988642 0.000000 2.624181 3.913502 3.052707 2.822359 1.763933 3.421041 5.198942 3.434433 3.018550 2.976986 2.169418 3.669548 3.344509 2.987713 2.888568 5.317652 6.276625 4.419791 3.889834 4.647584 4.935972 4.181547 5.086581 5.327361 4.874572 5.079723 0.985657 1.555192 0.000000 3.595620 3.527695 4.870324 4.027926 2.776311 5.636772 3.215402 2.783261 3.038784 6.259284 5.693398 1.908986 6.783156 5.753269 5.351969 2.822421 3.541823 3.606460 3.892569 3.177164 6.094388 5.242067 6.738732 4.204342 3.840614 4.675016 4.594692 5.011028 3.830840 0.000000 3.838068 3.509546 5.013720 4.529565 3.080555 6.476258 2.375195 3.685112 3.826791 6.561624 6.117778 2.789414 7.066789 6.511282 6.038753 1.909372 2.583052 3.353397 3.703278 2.697973 7.043154 6.170747 7.663933 3.553580 3.348738 4.124112 5.230889 5.713216 4.396202 0.974022 0.000000 4.240634 4.382525 5.430250 4.653813 3.164015 5.820031 3.677690 3.124147 3.538751 6.090237 5.531004 2.371199 6.730123 5.966903 5.713431 3.099275 3.788717 3.127553 3.551300 2.900480 5.720517 4.815295 6.331983 4.849652 4.609145 5.227634 4.493053 5.026848 3.865275 0.991952 1.558219 0.000000 4.791102 5.696399 5.707393 4.530241 3.782267 3.742156 6.342518 2.860953 3.306400 5.039207 4.180054 3.141161 5.697208 4.041529 4.324902 6.008342 6.835521 4.838396 4.842302 5.184201 2.741783 1.775098 3.180898 7.071936 6.640304 7.123394 2.742728 3.058417 2.885325 3.681119 4.554054 3.212792 0.000000 4.330832 5.410877 5.060007 4.143839 3.321247 3.400748 6.232560 3.157899 3.319266 4.109058 3.220266 3.500994 4.735870 3.478180 3.791544 6.023651 6.912512 4.707664 4.515986 5.109266 3.136603 2.254338 3.347956 6.796340 6.372316 6.721550 1.786706 2.210225 2.082725 3.941008 4.743815 3.574804 0.984042 0.000000 4.240251 5.026874 5.306756 3.851789 3.410059 3.365013 5.972061 1.884326 2.410511 5.433051 4.551034 2.225656 5.993885 3.749973 3.868251 5.688259 6.509676 5.019550 5.039285 5.185736 3.024206 2.189760 3.636159 6.628471 6.103412 6.770507 2.936263 3.077783 2.838178 3.121145 4.061883 2.872690 0.980424 1.531390 0.000000 3.755289 4.488811 3.652635 4.910147 2.744971 6.480873 3.898208 5.788182 5.425025 2.822850 3.019008 5.538057 3.265177 5.933100 5.666671 4.144563 4.980161 2.826716 1.879763 3.080925 7.608424 6.718737 7.709577 4.056004 4.198778 3.477304 3.650882 4.466007 3.086298 4.526847 4.457510 4.482788 5.110423 4.475076 5.230367 0.000000 2.836501 3.629833 2.955655 3.968513 1.761602 5.684288 3.548927 4.864116 4.462488 3.041144 2.933784 4.631519 3.434518 5.182723 4.846103 3.818865 4.733553 2.958022 2.174146 3.051913 7.000873 6.124015 7.182121 3.674552 3.613838 3.233333 3.094757 3.829990 2.350730 3.767419 3.796932 3.844696 4.498042 3.891377 4.478274 0.983462 0.000000 4.097306 5.053339 3.833650 5.078327 3.128029 6.238682 4.854413 6.021286 5.641243 1.872644 2.218159 5.915570 2.381245 5.627366 5.488233 5.073577 5.924569 3.450907 2.504588 3.881669 7.340967 6.497848 7.325168 4.944813 5.006199 4.316110 3.240935 4.069625 2.916524 5.134359 5.205930 5.017406 5.032510 4.273355 5.275110 0.978205 1.549017 0.000000 5.399418 5.823207 6.400593 5.794292 4.083524 6.303465 4.793877 4.164553 4.667215 5.831815 5.326548 3.675055 6.639399 6.451217 6.432979 4.106385 4.728218 2.785844 3.335944 3.060215 5.348944 4.395559 5.821609 6.067315 5.972116 6.272077 4.518368 5.218939 4.185585 2.693982 3.108558 1.714707 2.878578 3.303994 3.075261 4.608178 4.234462 4.945879 0.000000 5.197260 5.823347 6.162145 5.417975 3.895731 5.524672 5.333288 3.753598 4.255960 5.354916 4.744435 3.484695 6.159608 5.697185 5.785799 4.769940 5.485764 3.316992 3.638942 3.699908 4.443483 3.475294 4.874026 6.431311 6.232402 6.557125 3.800726 4.459047 3.623827 2.979986 3.602894 2.110621 1.957943 2.412244 2.333461 4.594052 4.161769 4.762087 0.973250 0.000000 5.262193 5.705119 6.113521 5.875420 3.868836 6.640450 4.332858 4.697378 5.035853 5.308243 4.944721 4.190966 6.130855 6.646156 6.588533 3.684179 4.333112 1.843196 2.414401 2.280460 5.991512 5.012903 6.363609 5.604795 5.633565 5.710896 4.442116 5.258871 4.056363 2.928113 3.120655 2.067652 3.388900 3.557252 3.644601 3.857272 3.637237 4.240781 0.980918 1.578217 0.000000 3.602912 3.755624 2.930911 4.985918 3.625034 7.483995 3.771296 6.814054 6.171178 4.702611 4.952604 6.522271 4.565905 6.814311 6.214450 4.579133 5.231236 4.910311 4.159812 4.636790 9.564161 8.749521 9.749794 2.777289 2.995475 1.817896 5.432046 5.894137 4.671422 5.614400 5.288777 6.022967 7.178408 6.557350 6.980767 2.798017 2.817979 3.343293 6.772371 6.862137 6.121872 0.000000 2.896404 3.201944 2.021413 4.196814 3.193300 6.719086 4.100135 6.286142 5.557751 4.488959 4.608689 6.101644 4.252325 6.021351 5.379404 4.904517 5.637220 5.273411 4.514072 5.023245 9.062706 8.302901 9.247466 3.025184 2.924461 2.208099 4.932780 5.262372 4.174617 5.466439 5.277367 5.944706 6.824216 6.169594 6.564826 2.997736 2.762863 3.401920 6.785130 6.763736 6.237353 0.969346 0.000000 3.645490 4.032009 3.115195 5.012518 3.296053 7.230039 3.697513 6.567249 6.006836 3.949870 4.248524 6.279961 3.955883 6.577142 6.087438 4.344398 5.062936 4.141748 3.315315 4.015064 9.010320 8.165293 9.156654 3.124201 3.375125 2.242994 4.857639 5.445365 4.152681 5.289592 5.017834 5.551135 6.570599 5.930998 6.484150 1.866206 2.086945 2.433840 6.095424 6.168108 5.386354 0.978151 1.524565 0.000000 5.337379 6.150905 6.194871 4.143370 5.290452 1.826831 8.320247 2.901929 3.046815 7.009359 6.030889 3.858762 7.247759 2.801098 3.152135 8.248166 9.069023 7.977890 7.841815 8.073175 2.833826 2.988744 3.391483 8.543233 7.775065 8.667695 4.318063 3.665431 4.503026 5.585819 6.520540 5.691957 3.597420 3.743287 3.092451 7.523617 6.685331 7.399394 6.148967 5.389104 6.730549 8.705972 8.011828 8.422564 0.000000 5.862233 6.746491 6.712417 4.804030 5.590605 2.320576 8.604517 3.282527 3.596978 6.941346 5.957567 4.170668 7.273968 3.230106 3.756082 8.443685 9.264401 7.878906 7.783651 8.072685 1.879342 2.187744 2.468527 8.967265 8.264253 9.068397 4.286966 3.746568 4.615976 5.758850 6.721546 5.695423 3.198680 3.440313 2.920080 7.596526 6.825692 7.414721 5.881849 5.054173 6.503653 9.064394 8.428363 8.683257 0.976680 0.000000 2.039807 2.505005 3.182603 2.759131 0.983557 4.709403 3.196124 2.816368 2.538006 4.758446 4.213173 2.406149 5.153563 4.550795 4.080697 3.262178 4.190365 3.530864 3.337883 3.277280 5.974788 5.128115 6.438541 3.610914 3.135468 3.750824 3.256850 3.680504 2.334910 1.792759 2.167628 2.248245 3.505577 3.297862 3.034180 3.220072 2.296349 3.728814 3.404266 3.346317 3.309528 4.228850 3.924354 3.893973 5.231556 5.493484 0.000000 4.863115 5.531873 5.887701 3.745105 4.779305 2.263418 7.567983 2.020654 2.325192 7.002893 6.040526 2.954944 7.294654 3.133597 3.247625 7.461438 8.248043 7.396224 7.333002 7.411103 3.119962 3.033078 3.835101 7.864863 7.100439 8.072127 4.273184 3.763821 4.266586 4.747810 5.680592 4.905812 3.264104 3.543981 2.555931 7.148301 6.269397 7.144192 5.521758 4.855430 6.139120 8.285454 7.636199 8.019357 0.969697 1.538364 4.579910 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7322,-1.6017,-.9321;-1.5515,-1.4002,-2.073;-1.2488,-2.648,-.1424;.5749,-1.9931,-1.4181;-.6251,-.4065,-.1252;3.5422,-1.8991,-.3348;-3.5463,1.3349,-1.2752;1.9397,.4457,-1.9852;1.5294,-.427,-1.8575;-.2163,-1.1399,3.8212;.5004,-1.0172,3.1573;1.1881,1.0229,-2.2151;-.3747,-2.0886,3.838;2.9055,-2.423,.1995;2.1755,-2.6159,-.407;-3.1738,2.262,-1.2337;-3.8236,2.8291,-1.6579;-2.0884,2.8143,1.4144;-2.1471,1.9361,1.8374;-2.5476,2.6991,.5644;5.237,1.2547,.5701;4.2856,1.4947,.6633;5.5115,.9589,1.4426;-4.0127,-.2401,-1.4443;-3.2414,-.6723,-1.8479;-4.1202,-.7291,-.5979;1.4267,-.6791,1.6842;2.0278,-1.3537,1.2831;.688,-.6037,1.036;-.4038,1.9077,-1.6429;-1.3511,2.091,-1.776;-.1017,2.5914,-.9908;2.5148,1.5819,.5767;2.1793,.8466,1.138;2.3498,1.2476,-.3301;-2.1171,.0791,2.1272;-1.591,-.0999,1.3157;-1.569,-.2785,2.8543;.3944,3.5172,.3646;1.1406,2.9733,.6723;-.3803,3.308,.9286;-3.84,-1.7424,.8852;-3.1023,-2.2934,.5822;-3.408,-1.1108,1.4945;4.5164,-.7185,-1.332;4.9238,-.0749,-.7206;-.5478,.4121,-.6648;3.8437,-.2074,-1.808; 0.2689618 0.1676373 0.1537954 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 592 RedAO= T EigKep= 8.91D-05 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 604 604 604 604 604 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.39335922639 -1471.39335923 1 1.466797007713e+03 -7.699478707602e+03 2.664803351864e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 48. Will process 49 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 14963 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 780000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 144 NMatS0= 144 NMatT0= 0 NMatD0= 144 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 74.46% of shell-pairs survive, threshold= 0.20 IRatSp=74. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 4.56D-14 1.00D-09 XBig12= 7.52D+01 1.24D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 4.56D-14 1.00D-09 XBig12= 5.10D+00 2.11D-01. 144 vectors produced by pass 2 Test12= 4.56D-14 1.00D-09 XBig12= 5.27D-02 1.66D-02. 144 vectors produced by pass 3 Test12= 4.56D-14 1.00D-09 XBig12= 2.07D-04 1.14D-03. 144 vectors produced by pass 4 Test12= 4.56D-14 1.00D-09 XBig12= 3.15D-07 2.93D-05. 99 vectors produced by pass 5 Test12= 4.56D-14 1.00D-09 XBig12= 3.44D-10 1.96D-06. 9 vectors produced by pass 6 Test12= 4.56D-14 1.00D-09 XBig12= 3.18D-13 4.57D-08. 3 vectors produced by pass 7 Test12= 4.56D-14 1.00D-09 XBig12= 3.50D-16 2.62D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 831 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 151.08 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 162.579 -0.170 147.477 1.250 -1.987 143.169 181.955 -0.689 178.484 2.382 -2.746 176.913 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT31013.100S Tue Nov 5 23:37:40 2024 -24.54845 -24.54357 -24.54306 -19.04662 -19.04057 -19.04023 -19.03778 -19.03545 -19.03296 -19.02689 -19.02551 -19.02499 -19.02487 -19.02428 -19.02205 -19.02085 -19.01407 -19.01205 -6.75701 -1.09845 -1.05630 -1.05535 -0.94198 -0.93803 -0.93414 -0.93070 -0.92482 -0.92196 -0.92071 -0.91993 -0.91291 -0.91283 -0.90655 -0.90399 -0.90287 -0.89621 -0.89261 -0.47884 -0.46089 -0.45780 -0.45418 -0.45356 -0.44814 -0.44332 -0.44110 -0.43745 -0.43516 -0.43363 -0.43244 -0.42938 -0.42776 -0.42175 -0.41675 -0.40204 -0.39699 -0.35465 -0.35124 -0.34252 -0.33483 -0.32593 -0.32288 -0.32199 -0.31783 -0.31405 -0.31040 -0.30635 -0.30359 -0.29977 -0.29874 -0.29372 -0.28766 -0.28309 -0.27700 -0.27450 -0.27006 -0.25834 -0.24468 -0.24181 -0.23779 -0.23672 -0.23210 -0.23039 -0.22978 -0.22765 -0.22539 -0.22503 -0.22169 -0.21656 -0.21594 -0.21448 -0.20565 0.08069 0.09811 0.10192 0.11603 0.12618 0.13589 0.14776 0.15504 0.16046 0.16686 0.17617 0.18353 0.19216 0.19633 0.19989 0.20582 0.21091 0.21604 0.21685 0.21974 0.22428 0.23207 0.23705 0.23843 0.24377 0.24595 0.24875 0.25498 0.25686 0.26135 0.26574 0.27017 0.27420 0.27587 0.27973 0.28027 0.28391 0.28643 0.29047 0.29540 0.29622 0.30255 0.30735 0.30937 0.31371 0.31639 0.31972 0.32358 0.32576 0.32866 0.33173 0.33710 0.33939 0.34104 0.34350 0.34512 0.34995 0.35307 0.35522 0.35764 0.35924 0.36440 0.36513 0.36654 0.36896 0.37044 0.37200 0.37675 0.37895 0.38557 0.38750 0.39037 0.39236 0.39381 0.39927 0.40767 0.42134 0.42482 0.42812 0.43725 0.44445 0.44808 0.45184 0.45489 0.46986 0.47477 0.48153 0.48688 0.49701 0.49914 0.50424 0.51666 0.52994 0.53882 0.55124 0.55805 0.56467 0.57107 0.57651 0.58512 0.59333 0.59813 0.60279 0.60796 0.61371 0.62079 0.62679 0.62806 0.63167 0.63743 0.64092 0.64357 0.64946 0.65607 0.66114 0.66995 0.67272 0.68062 0.68298 0.68486 0.69567 0.69672 0.70874 0.71489 0.71976 0.72667 0.73272 0.73730 0.73935 0.74594 0.75148 0.75410 0.76876 0.77740 0.78804 0.79454 0.81489 0.82303 0.82905 0.83876 0.87211 0.92464 1.01724 1.03182 1.04601 1.05008 1.05683 1.06646 1.06763 1.07509 1.08660 1.08752 1.09133 1.09537 1.09987 1.10862 1.11411 1.11730 1.12274 1.12409 1.13362 1.13885 1.14104 1.14295 1.14620 1.15956 1.16215 1.16692 1.17334 1.17654 1.17997 1.18945 1.19352 1.20698 1.21057 1.21486 1.21586 1.22087 1.22570 1.22696 1.23287 1.24574 1.25932 1.27341 1.28870 1.30961 1.32568 1.33685 1.34544 1.35112 1.35374 1.36288 1.36713 1.36962 1.37454 1.38460 1.39321 1.39611 1.40592 1.41324 1.41729 1.42366 1.43684 1.43993 1.44130 1.45151 1.45663 1.45907 1.46749 1.46973 1.47378 1.48202 1.49126 1.49873 1.49904 1.50916 1.51119 1.51926 1.52807 1.53593 1.53968 1.54557 1.55532 1.55718 1.56036 1.57155 1.57866 1.58912 1.59031 1.60725 1.60869 1.61731 1.62643 1.63312 1.63725 1.63942 1.65041 1.65614 1.66884 1.67452 1.67930 1.68798 1.69594 1.70740 1.71155 1.72013 1.72606 1.73519 1.74897 1.75699 1.76346 1.77696 1.78434 1.79051 1.79613 1.79827 1.81802 1.82351 1.83110 1.84023 1.84509 1.85618 1.85734 1.87385 1.88578 1.89134 1.89467 1.91963 1.92863 1.93732 1.94578 1.96037 1.97371 2.03011 2.10484 2.10646 2.12147 2.14153 2.19143 2.24010 2.24416 2.25887 2.27137 2.28333 2.29326 2.30404 2.32232 2.33498 2.35416 2.35967 2.36347 2.37904 2.38379 2.39764 2.41554 2.41805 2.44146 2.44884 2.45594 2.46654 2.48785 2.49493 2.51144 2.52315 2.52686 2.54846 2.57915 2.59164 2.59885 2.60627 2.64005 2.66219 2.72925 2.73271 2.73569 2.76346 2.77590 2.78669 2.79420 2.80344 2.80779 2.81159 2.82209 2.82735 2.84033 2.84947 2.85363 2.86133 2.88072 2.89411 2.91005 2.92288 2.93576 2.94930 2.96403 2.97358 3.00701 3.05718 3.15638 3.16557 3.17509 3.17525 3.18028 3.18569 3.19731 3.20217 3.20555 3.20772 3.21335 3.21637 3.22194 3.22475 3.22754 3.23062 3.23964 3.24211 3.24860 3.26092 3.26263 3.27459 3.27564 3.28219 3.28873 3.29024 3.29123 3.30424 3.30524 3.31200 3.34283 3.39376 3.39919 3.40513 3.42097 3.42580 3.43480 3.44189 3.44354 3.44977 3.45402 3.46274 3.46558 3.48394 3.49158 3.66589 3.76854 3.78791 3.79531 3.80203 3.80751 3.81482 3.81929 3.82378 3.83861 3.84949 3.85962 3.86328 3.87461 3.88372 3.89339 3.90840 3.91928 3.93380 3.95887 3.96352 3.98611 3.98693 3.99788 3.99882 4.00181 4.01402 4.01862 4.02066 4.03095 4.03758 4.04345 4.04649 4.05316 4.06348 4.07576 4.08421 4.10418 4.12633 4.19444 4.32501 4.34072 4.49783 4.75491 4.77228 5.09474 5.09895 5.10753 5.11920 5.12574 5.13284 5.13767 5.14145 5.15199 5.17206 5.21258 5.23229 5.30453 5.32953 5.37167 5.44103 5.46357 5.47478 5.48539 5.49171 5.51118 5.52639 5.53568 5.54943 5.55900 5.56168 5.58127 5.59177 5.60706 5.63643 5.72635 5.73867 5.74416 5.74736 5.75435 5.77256 5.77344 5.77848 5.78361 5.80036 5.81502 5.82422 5.83710 5.84567 5.89777 6.46969 6.50129 6.52531 6.54511 6.57074 6.58339 6.62280 6.74289 6.79950 14.69354 49.95969 49.97943 49.99335 50.00553 50.01251 50.02123 50.02400 50.02977 50.03639 50.04031 50.04433 50.04956 50.06712 50.08587 50.10677 66.95109 66.96885 66.97532 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 0.987960 -0.421495 -0.406951 -0.443591 -0.928525 0.377440 0.413452 -0.631692 0.244410 -0.621782 0.373842 0.374221 0.234204 -0.641511 0.270624 -0.769801 0.285427 -0.679345 0.365504 0.339116 -0.653466 0.374858 0.247654 -0.643612 0.264621 0.373247 -0.823768 0.424956 0.347234 -0.817851 0.364137 0.401976 -0.719004 0.371884 0.325643 -0.847641 0.395052 0.426687 -0.687691 0.340859 0.366421 -0.648231 0.275811 0.365459 -0.661174 0.374775 0.438616 0.301040 -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 8 10 14 16 18 21 24 27 30 33 36 39 42 45 B F F F O O O O O O O O O O O O O O O 0.987960 -0.421495 -0.406951 -0.443591 -0.489908 -0.013061 -0.013736 0.006553 -0.070923 0.025275 -0.030954 -0.005744 -0.051578 -0.051737 -0.021477 -0.025902 0.019589 -0.006961 0.014641 -1.00000 -1.64185548e-01 3.44242690e-02 1.52237949e-01 1.62578996e+02 -1.70025072e-01 1.47476912e+02 1.25017921e+00 -1.98656737e+00 1.43169425e+02 -4.3489 -0.0001 0.0004 0.0009 1.7712 3.5631 29.6143 35.6682 44.0224 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 29.6134 35.6671 44.0206 50.0437 56.1207 58.0989 60.2755 63.7218 71.3418 76.8313 81.4723 83.1084 88.8423 89.3510 92.6448 100.8999 114.0981 121.5047 131.5729 140.3115 151.5227 156.4532 158.4309 166.0566 174.3783 179.2578 184.2363 193.2243 206.9406 208.2464 215.4201 229.7172 232.0767 238.8887 244.3911 251.8755 258.2157 263.3942 266.7817 288.1503 296.7338 297.9885 307.4136 313.6745 328.4570 358.4143 382.4904 420.6937 427.9708 463.0201 466.1593 474.9868 494.4018 500.8034 515.8095 518.1916 528.3246 535.7456 544.0317 561.1414 564.2220 579.6638 597.2723 607.7652 622.8075 645.0629 648.3448 670.0424 684.8046 687.9968 700.8097 712.8476 719.0751 724.1207 734.4782 748.5209 764.3127 767.8220 797.3377 812.5508 838.3564 855.9113 889.6249 911.2732 936.6304 943.4353 961.2724 975.6904 985.3185 1022.0148 1041.0999 1065.8971 1079.4195 1101.8212 1323.9149 1665.3855 1666.5163 1670.7112 1672.5511 1687.9302 1698.1647 1709.1731 1710.3624 1718.0763 1722.2290 1734.6198 1735.8792 1744.6133 1750.7749 3132.6378 3259.7257 3325.2342 3370.2867 3386.0879 3406.9823 3430.4464 3463.9044 3480.5406 3483.1652 3501.1821 3510.4883 3529.4822 3563.0474 3573.4715 3596.0636 3614.3554 3622.8557 3651.3534 3667.9313 3684.4949 3693.7387 3705.0189 3744.5018 3756.7878 3770.1135 3874.8678 3883.1960 3885.5012 5.8853 5.7584 6.6542 6.1759 6.9922 7.7485 7.2769 7.3666 7.1611 7.1119 7.5301 7.1199 8.1855 7.2416 6.9148 7.8106 6.5110 7.2134 6.3996 6.3387 6.3184 5.9700 6.1075 6.5994 7.1915 6.6225 7.0227 6.8188 6.3204 6.5434 6.6215 6.4894 6.8532 2.9071 3.3151 3.6484 4.8362 5.7752 2.5192 1.9487 2.5188 1.9817 1.9143 4.9387 5.7704 11.2793 9.2631 1.0530 1.0673 1.0941 1.0708 1.1003 2.6441 1.3057 1.9014 4.8105 1.2974 1.0959 1.2189 1.0719 1.1021 1.0427 1.0412 1.0682 1.0545 1.0618 1.0702 1.0658 1.0600 1.0521 1.0681 1.0699 1.0933 1.1291 1.1338 3.1771 1.0934 1.0575 1.0526 1.0725 1.0558 1.0650 1.0798 1.1341 1.5010 1.4746 1.0990 1.5032 1.1611 1.7459 1.5045 1.2555 1.0695 2.7104 1.2020 1.0740 1.0714 1.0694 1.0716 1.0742 1.0726 1.0718 1.0723 1.0697 1.0709 1.0690 1.0684 1.0649 1.0640 1.0682 1.0664 1.0580 1.0803 1.0626 1.0687 1.0655 1.0652 1.0612 1.0653 1.0588 1.0549 1.0674 1.0700 1.0631 1.0585 1.0521 1.0608 1.0591 1.0733 1.0731 1.0770 1.0655 1.0697 1.0679 1.0674 1.0667 1.0668 1.0657 0.0030 0.0043 0.0076 0.0091 0.0130 0.0154 0.0156 0.0176 0.0215 0.0247 0.0294 0.0290 0.0381 0.0341 0.0350 0.0469 0.0499 0.0627 0.0653 0.0735 0.0855 0.0861 0.0903 0.1072 0.1288 0.1254 0.1404 0.1500 0.1595 0.1672 0.1810 0.2018 0.2175 0.0977 0.1167 0.1364 0.1900 0.2361 0.1056 0.0953 0.1307 0.1037 0.1066 0.2863 0.3668 0.8537 0.7985 0.1098 0.1152 0.1382 0.1371 0.1463 0.3808 0.1929 0.2981 0.7611 0.2134 0.1853 0.2126 0.1989 0.2067 0.2064 0.2188 0.2325 0.2410 0.2603 0.2651 0.2819 0.2929 0.2934 0.3091 0.3203 0.3331 0.3488 0.3604 1.0488 0.3763 0.3673 0.3943 0.4172 0.4372 0.4597 0.5035 0.5549 0.7759 0.7733 0.5984 0.8431 0.6642 1.0744 0.9608 0.8404 0.7342 1.9387 1.2413 1.7551 1.7532 1.7588 1.7663 1.8031 1.8224 1.8448 1.8482 1.8604 1.8714 1.8951 1.8968 1.9096 1.9215 6.1761 6.6763 6.8927 7.2297 7.1782 7.3091 7.3877 7.5305 7.5743 7.6150 7.6468 7.6593 7.8342 8.0031 7.9985 8.0645 8.0980 8.2036 8.3193 8.5075 8.5830 8.6576 8.6177 8.8366 8.8800 8.9392 9.4366 9.4783 9.4791 2.4498 2.8632 0.1259 2.9096 0.1752 0.1941 0.5789 1.3639 2.3370 0.8894 0.7744 0.0985 1.1829 1.7129 0.9363 2.1826 1.2848 4.5431 1.9889 1.4804 3.4397 7.3430 3.9397 12.9130 4.8595 15.4557 1.7409 8.6382 24.5881 19.2716 30.3124 17.1931 12.3025 17.9245 15.8426 109.1527 9.5726 8.4489 75.3310 41.0115 42.5966 46.7582 27.7679 45.8534 6.9327 4.9044 10.1760 74.8664 20.2725 4.6084 35.7012 82.9469 25.8649 7.1899 23.9780 8.1452 1.2822 103.0781 17.8495 38.9403 72.1632 20.9799 2.0739 61.2850 30.1815 106.4025 78.3779 60.4485 103.5338 123.2492 81.0548 71.3872 85.3152 175.3392 92.4836 98.6450 437.7801 55.4662 120.8663 335.7387 41.5039 445.9745 229.9692 95.7271 285.3828 166.4254 211.5658 244.5519 79.7116 153.6308 202.9573 155.2010 65.4072 444.6861 107.4464 103.9045 49.6307 45.9196 58.0134 25.2353 94.1344 92.5043 99.8805 45.1001 90.8789 55.0771 121.7410 51.2908 77.2805 1141.2122 573.4487 529.1949 804.4352 1538.8366 513.9455 291.1151 839.7447 839.3576 108.1876 792.1291 260.8286 490.8558 764.7957 755.6243 486.3566 40.9545 790.2796 24.0797 589.1295 433.0299 393.6124 331.7196 230.8766 310.5948 269.4739 51.6184 49.4480 46.0951 -0.00 0.00 -0.08 -0.00 0.05 -0.07 0.00 -0.03 -0.13 0.00 0.02 -0.10 -0.01 -0.03 -0.03 -0.04 -0.05 -0.04 -0.02 -0.03 0.02 0.01 0.04 -0.01 0.01 0.03 -0.03 0.16 0.38 0.16 0.10 0.22 0.06 0.00 0.04 0.00 0.22 0.38 0.48 -0.05 -0.06 -0.05 -0.05 -0.03 -0.06 -0.03 -0.03 0.01 -0.03 -0.04 -0.00 -0.04 -0.02 0.00 -0.02 -0.03 -0.01 -0.04 -0.01 0.00 -0.04 -0.13 0.15 -0.03 -0.09 0.10 -0.12 -0.21 0.15 -0.01 -0.04 0.04 -0.02 -0.02 0.01 0.02 -0.04 0.04 -0.01 -0.05 -0.04 -0.02 -0.06 -0.04 -0.02 -0.06 -0.04 -0.01 0.00 0.02 -0.02 -0.00 0.02 -0.02 0.00 0.03 -0.03 -0.02 0.02 -0.04 -0.04 -0.01 -0.01 0.01 0.01 0.04 -0.01 0.00 0.03 -0.03 0.00 0.08 0.09 0.02 -0.03 -0.01 0.04 -0.04 -0.01 0.04 -0.04 -0.01 0.03 0.07 -0.06 0.02 0.07 -0.04 -0.00 0.06 -0.06 0.03 -0.02 -0.02 0.03 -0.03 -0.05 0.07 -0.01 -0.01 -0.01 0.00 0.01 0.03 0.01 0.03 0.00 -0.06 -0.06 0.04 0.10 0.03 0.07 -0.00 0.06 -0.05 -0.00 0.06 -0.04 -0.01 0.00 -0.07 -0.03 -0.06 0.04 0.03 0.07 -0.01 0.03 0.06 -0.01 -0.01 -0.16 -0.12 -0.00 -0.10 -0.10 0.03 0.05 -0.04 -0.09 -0.15 -0.29 -0.02 0.01 -0.07 -0.02 0.02 -0.06 -0.04 -0.05 -0.01 -0.06 -0.07 -0.01 -0.00 0.07 -0.06 0.02 0.09 -0.03 -0.01 0.03 -0.05 -0.03 -0.23 0.28 -0.01 -0.11 0.16 -0.23 -0.44 0.27 -0.04 -0.06 0.10 -0.06 -0.07 0.08 -0.01 -0.05 0.12 0.01 0.03 -0.06 0.00 0.03 -0.08 0.01 0.04 -0.06 -0.03 0.02 -0.08 -0.04 -0.00 -0.07 -0.03 0.03 -0.09 -0.01 0.06 0.00 -0.03 0.05 -0.02 0.02 0.08 -0.01 0.05 0.08 -0.01 0.03 0.09 -0.02 0.05 0.03 -0.03 -0.02 0.05 -0.11 -0.02 0.06 -0.08 -0.02 0.07 -0.10 0.08 -0.02 0.13 0.08 -0.01 0.12 0.08 0.03 0.08 0.02 0.02 -0.00 -0.01 -0.03 0.08 -0.00 0.04 -0.07 0.04 0.06 0.01 0.03 0.05 0.02 0.04 0.01 0.01 0.07 0.04 0.02 0.05 0.09 0.03 -0.02 0.06 0.01 -0.08 -0.03 0.10 -0.02 -0.04 0.04 0.00 0.08 -0.01 0.01 0.08 0.02 -0.02 0.04 -0.02 -0.02 0.15 -0.00 -0.00 0.07 -0.02 0.10 0.02 -0.04 -0.10 0.05 0.16 -0.11 0.04 0.18 -0.05 -0.03 0.08 -0.07 -0.03 0.12 0.04 -0.10 0.06 -0.01 -0.11 0.05 0.02 -0.07 0.06 0.11 -0.22 -0.09 0.14 -0.09 -0.09 0.05 -0.27 -0.09 0.00 -0.04 -0.04 0.02 -0.01 -0.04 -0.02 -0.08 -0.07 -0.01 0.24 0.02 -0.04 0.19 0.06 -0.02 0.21 0.02 -0.04 0.05 -0.01 -0.05 0.04 0.02 -0.03 0.04 0.00 0.14 0.12 -0.08 0.08 0.16 -0.06 0.10 0.12 -0.07 -0.12 -0.13 -0.02 -0.10 -0.07 -0.02 -0.11 -0.11 -0.02 -0.01 0.01 0.01 0.05 0.06 -0.03 0.03 -0.05 0.04 -0.04 -0.15 -0.10 -0.01 -0.12 -0.10 -0.08 -0.16 -0.07 -0.06 -0.17 -0.04 -0.01 -0.18 -0.07 -0.04 0.06 -0.00 -0.02 -0.13 -0.06 0.00 0.04 -0.08 -0.05 0.03 -0.05 0.07 0.02 -0.07 -0.00 0.08 -0.13 0.00 0.03 -0.07 -0.12 -0.13 0.16 0.01 -0.04 0.12 0.05 0.01 -0.03 0.02 0.02 -0.06 -0.06 -0.04 -0.02 -0.05 -0.03 -0.02 0.08 0.03 -0.05 -0.07 -0.04 -0.05 -0.18 -0.14 0.08 -0.15 -0.06 0.02 0.01 -0.04 0.08 -0.02 -0.06 0.10 0.08 0.03 0.01 0.07 0.03 0.02 0.06 0.02 0.02 -0.00 0.21 -0.08 -0.02 0.12 -0.05 0.14 0.51 -0.02 -0.03 -0.04 0.15 -0.05 -0.03 0.09 0.01 -0.07 0.13 -0.06 0.00 0.00 -0.10 -0.05 0.03 -0.05 0.03 -0.01 0.02 0.03 -0.06 0.02 0.01 -0.03 0.03 0.03 -0.06 -0.01 -0.03 -0.02 -0.00 -0.03 -0.02 0.00 -0.03 -0.02 0.02 0.02 -0.03 0.01 0.03 -0.04 0.02 -0.00 -0.04 0.05 0.01 -0.05 0.04 -0.01 -0.06 0.06 0.02 -0.04 0.09 -0.12 0.10 0.10 -0.08 0.05 0.08 -0.08 0.06 -0.03 -0.12 0.26 -0.01 -0.08 0.21 0.02 0.04 -0.06 0.04 -0.12 0.17 0.05 -0.01 0.02 -0.03 -0.11 0.06 0.19 -0.03 0.08 0.05 0.08 -0.06 0.02 0.01 -0.02 -0.00 -0.02 -0.07 0.01 0.01 -0.01 0.02 0.09 0.08 0.01 0.09 0.04 -0.20 0.12 -0.02 -0.15 0.00 0.02 0.03 0.10 0.06 -0.30 0.14 0.02 0.01 -0.02 -0.06 0.00 -0.01 -0.06 -0.02 0.03 -0.06 -0.02 -0.03 -0.13 -0.13 0.14 -0.02 -0.14 0.12 -0.06 -0.09 0.15 -0.05 0.04 -0.05 -0.18 0.04 -0.09 -0.05 0.18 -0.02 -0.21 0.04 -0.01 0.04 0.03 -0.01 0.04 0.04 -0.03 0.03 -0.04 -0.13 0.04 -0.03 -0.11 0.02 -0.01 -0.07 0.02 -0.00 0.05 0.05 0.00 0.07 0.05 0.00 0.01 0.09 0.02 -0.09 0.14 0.03 -0.11 0.11 -0.00 -0.04 0.13 -0.08 0.13 -0.10 -0.05 0.12 -0.08 -0.09 0.16 -0.08 0.00 -0.07 0.15 -0.03 -0.10 0.19 -0.04 -0.01 0.10 0.09 -0.08 0.01 0.12 -0.05 0.02 0.06 -0.03 -0.03 -0.02 -0.04 -0.15 0.01 -0.05 -0.16 0.02 0.01 -0.03 -0.04 -0.02 -0.11 0.03 0.12 0.02 0.09 0.21 -0.01 -0.06 0.12 -0.04 0.03 0.06 0.06 0.07 0.09 0.06 -0.02 -0.16 0.01 -0.04 -0.14 -0.16 0.02 0.04 0.05 0.01 0.05 0.05 0.10 -0.12 0.01 0.10 -0.10 0.01 0.03 0.05 0.03 0.06 -0.11 -0.06 -0.01 -0.16 0.02 -0.04 -0.11 0.04 -0.02 -0.15 -0.18 0.00 -0.15 -0.21 -0.20 -0.03 -0.11 -0.13 -0.01 -0.06 -0.14 -0.12 -0.13 -0.03 -0.06 -0.14 -0.02 -0.02 -0.08 0.04 0.04 -0.13 -0.07 -0.14 -0.06 -0.04 -0.12 -0.03 -0.03 -0.06 -0.01 0.10 -0.06 0.03 0.07 -0.08 0.01 0.10 -0.02 0.03 0.03 0.06 0.01 0.02 -0.02 -0.03 -0.03 0.08 0.02 -0.03 0.04 0.05 0.03 0.01 0.04 -0.04 0.05 0.05 0.10 0.03 0.08 0.11 0.04 0.08 0.09 0.01 0.08 -0.12 0.04 0.09 -0.14 0.03 0.11 -0.16 0.01 0.03 0.03 0.10 0.08 0.03 0.10 0.07 0.05 0.10 0.06 -0.06 -0.16 -0.01 -0.05 -0.15 -0.02 0.07 0.10 0.07 -0.05 -0.15 -0.01 0.07 -0.07 0.01 0.05 -0.13 0.01 0.12 -0.05 0.06 0.08 -0.04 0.01 0.05 -0.03 -0.03 -0.05 -0.16 0.08 -0.02 0.16 -0.00 -0.07 0.01 -0.07 -0.05 0.00 -0.05 0.10 -0.04 -0.04 0.09 -0.01 -0.05 -0.09 -0.00 -0.06 0.09 -0.04 -0.09 -0.03 -0.17 0.09 -0.04 -0.16 0.10 -0.08 0.19 0.08 -0.09 0.18 0.08 -0.10 0.06 0.11 -0.03 0.03 0.05 -0.11 0.10 0.12 -0.13 -0.02 -0.00 -0.12 0.03 -0.05 -0.17 0.04 0.03 0.14 0.14 -0.09 0.14 0.14 -0.09 0.13 0.12 -0.10 0.06 0.01 -0.05 0.04 -0.04 -0.01 0.06 -0.01 -0.04 -0.11 0.00 0.02 -0.10 0.06 0.03 -0.09 -0.01 0.03 -0.11 0.06 -0.08 -0.05 0.03 -0.08 -0.10 0.06 -0.08 0.11 0.04 -0.01 0.10 0.02 -0.01 0.10 0.01 -0.01 -0.13 0.03 0.00 -0.12 0.04 0.00 -0.12 0.05 0.03 0.10 0.12 -0.12 0.09 0.08 -0.08 0.10 0.08 -0.08 -0.12 -0.11 0.10 -0.13 -0.09 0.08 -0.02 -0.04 -0.05 -0.09 -0.11 0.05 0.06 0.01 -0.04 0.19 0.12 -0.12 -0.07 -0.02 -0.16 0.08 -0.04 0.07 0.03 -0.04 0.03 0.03 0.07 0.04 0.02 -0.07 0.12 -0.07 -0.03 -0.07 -0.04 -0.05 -0.07 -0.17 -0.05 0.04 -0.13 -0.06 0.09 -0.09 -0.04 -0.04 -0.23 -0.04 -0.00 0.07 0.08 0.10 0.06 0.02 0.13 -0.03 -0.04 0.14 -0.05 -0.09 0.11 0.09 0.14 0.03 0.09 0.14 0.05 0.05 0.11 0.06 -0.13 -0.10 -0.03 -0.13 -0.09 -0.05 -0.19 -0.21 -0.05 0.11 -0.09 0.05 0.12 -0.04 0.03 0.12 -0.11 0.04 -0.06 -0.03 0.12 -0.00 0.02 0.13 -0.04 -0.06 0.09 -0.04 -0.02 0.06 -0.05 -0.03 0.09 -0.01 0.03 -0.01 -0.13 -0.06 -0.06 -0.13 -0.02 -0.01 -0.12 -0.09 -0.05 -0.01 0.11 -0.01 -0.00 0.07 0.01 -0.05 0.08 0.01 0.06 0.12 -0.08 0.03 0.07 -0.10 0.07 0.15 -0.06 0.10 -0.06 0.06 0.13 -0.01 0.06 0.05 -0.00 0.03 -0.05 -0.00 -0.13 -0.07 0.01 -0.13 0.03 -0.02 0.06 -0.07 -0.03 -0.12 0.05 0.06 0.06 -0.06 0.04 0.13 0.17 0.05 0.11 0.01 0.11 -0.07 0.08 0.06 0.06 -0.06 0.06 -0.01 0.01 0.03 -0.08 -0.01 0.01 -0.19 -0.03 0.01 -0.21 -0.03 -0.04 0.20 -0.03 -0.06 0.20 -0.00 0.04 -0.12 -0.01 -0.04 0.26 -0.06 0.05 -0.01 -0.07 0.10 -0.01 0.08 0.00 -0.08 0.10 0.06 -0.04 0.08 -0.13 -0.06 0.05 -0.11 -0.03 0.08 -0.13 -0.06 -0.16 -0.01 0.02 -0.17 -0.05 -0.03 -0.21 -0.05 0.03 -0.06 0.05 -0.06 -0.05 0.05 -0.04 -0.05 0.05 -0.06 -0.04 -0.08 0.16 -0.03 -0.05 0.13 -0.03 -0.05 0.16 0.07 0.04 -0.04 0.06 0.01 -0.04 0.06 0.06 -0.06 -0.15 -0.13 -0.10 -0.12 -0.10 -0.05 -0.13 -0.16 -0.10 0.01 -0.12 0.06 0.05 -0.07 0.08 -0.01 -0.10 0.09 0.05 0.03 -0.03 0.03 -0.04 -0.09 0.05 -0.02 -0.05 0.02 -0.01 -0.11 0.02 -0.01 -0.10 0.02 -0.05 -0.06 -0.05 0.03 -0.05 -0.07 0.03 -0.04 0.09 0.06 0.06 -0.04 0.02 -0.08 -0.01 -0.02 -0.04 -0.03 -0.04 -0.03 0.04 -0.07 -0.06 0.00 0.04 -0.06 -0.06 -0.04 -0.02 -0.06 0.05 0.02 -0.13 -0.00 -0.06 -0.03 0.09 0.23 -0.01 0.08 0.19 0.05 -0.09 0.17 0.01 -0.09 0.12 -0.03 0.05 0.12 0.03 -0.09 0.15 -0.07 0.07 0.02 -0.06 0.06 0.02 -0.16 0.01 0.02 -0.19 0.03 0.08 0.12 -0.02 -0.09 0.15 0.01 -0.03 0.03 -0.05 -0.04 0.07 -0.01 -0.06 0.08 -0.03 0.05 0.19 0.01 -0.09 -0.06 -0.01 -0.14 -0.04 0.01 -0.14 0.01 0.02 -0.11 -0.09 -0.01 0.08 -0.07 0.02 0.06 -0.06 0.01 0.06 -0.15 -0.05 -0.04 -0.15 -0.00 -0.02 -0.08 -0.04 -0.08 0.06 -0.00 0.19 0.01 0.03 0.19 0.03 0.00 0.19 0.14 0.03 0.10 0.11 -0.02 0.09 0.10 -0.01 0.11 0.08 -0.02 -0.17 0.08 0.01 -0.11 0.08 0.02 -0.15 0.12 0.13 -0.08 0.12 0.12 -0.06 0.10 0.10 -0.04 -0.05 0.01 -0.03 -0.00 -0.00 -0.04 -0.11 -0.03 -0.01 -0.05 0.03 0.01 -0.03 -0.07 -0.07 -0.05 -0.06 -0.06 -0.01 -0.09 -0.09 -0.03 -0.05 -0.09 -0.03 -0.08 -0.05 -0.06 0.11 0.03 0.13 0.13 -0.06 0.05 -0.04 0.06 0.03 -0.03 0.05 0.03 -0.11 0.08 0.01 -0.02 0.07 0.06 -0.02 0.05 0.06 -0.12 -0.01 -0.09 0.19 0.08 -0.07 0.13 0.07 0.17 0.12 -0.19 0.18 0.11 -0.22 -0.11 -0.05 -0.04 -0.08 -0.07 -0.07 -0.03 -0.03 -0.08 -0.05 -0.06 -0.08 -0.04 -0.01 -0.04 -0.03 -0.06 -0.08 0.12 0.13 0.19 0.05 0.07 0.14 0.10 0.12 0.18 -0.10 0.14 0.06 -0.06 0.18 0.06 -0.09 0.08 0.04 0.12 -0.02 0.02 0.14 0.01 -0.08 0.06 -0.01 0.04 -0.04 0.11 0.04 -0.08 0.13 0.06 -0.02 0.07 0.05 0.09 -0.06 0.04 0.06 -0.08 0.03 0.08 -0.05 0.05 -0.11 0.06 0.06 -0.09 0.10 0.07 -0.12 0.02 0.03 0.05 -0.03 0.11 0.02 -0.04 0.06 0.10 -0.06 0.12 0.01 -0.06 -0.07 -0.00 -0.05 -0.08 -0.01 -0.07 -0.03 -0.00 -0.06 -0.07 -0.04 -0.08 -0.01 -0.06 -0.15 -0.00 0.01 -0.07 0.03 -0.03 -0.03 -0.02 -0.07 -0.06 -0.02 -0.07 -0.02 -0.02 0.09 -0.17 -0.07 -0.05 0.03 0.01 -0.05 0.03 -0.00 0.04 0.01 -0.05 0.03 0.03 -0.07 -0.06 0.06 0.10 0.06 0.01 -0.06 -0.06 -0.03 -0.02 -0.06 -0.04 -0.01 0.12 -0.18 -0.02 0.16 -0.16 -0.07 0.13 0.03 -0.02 0.14 0.05 0.02 0.14 -0.02 -0.01 -0.06 0.01 -0.02 -0.05 0.04 -0.00 -0.05 0.02 -0.02 -0.04 -0.12 -0.14 -0.05 -0.15 -0.12 -0.03 -0.07 -0.11 -0.01 0.04 -0.08 -0.02 0.03 -0.07 -0.03 0.00 -0.06 0.11 0.11 0.22 0.09 0.08 0.23 0.11 0.14 0.18 -0.05 0.08 0.01 -0.05 0.07 -0.01 -0.04 0.09 0.01 0.01 0.04 0.01 -0.02 0.01 -0.00 0.02 0.02 -0.01 0.15 0.29 0.14 0.12 0.23 0.09 0.13 0.23 0.10 0.00 0.04 -0.04 0.01 0.02 0.01 -0.02 0.05 -0.04 -0.11 0.01 -0.00 -0.10 -0.00 -0.00 -0.01 -0.04 0.02 -0.12 0.03 0.02 -0.03 0.05 0.01 0.08 -0.14 -0.11 -0.03 0.10 0.07 0.06 0.11 0.19 -0.21 0.13 -0.09 0.05 -0.04 -0.01 0.14 0.01 0.01 -0.01 0.07 0.09 -0.02 0.07 0.12 0.09 0.01 0.02 0.01 -0.06 -0.08 0.01 0.06 0.01 0.11 0.01 0.16 0.09 -0.08 0.00 0.11 -0.13 0.00 0.08 0.03 -0.01 -0.02 0.00 0.10 0.08 -0.09 -0.01 0.04 -0.07 0.03 0.08 -0.09 -0.01 -0.11 0.00 -0.05 -0.11 -0.03 0.02 -0.03 0.03 -0.07 0.19 -0.00 0.05 0.17 -0.04 0.04 0.14 -0.01 0.04 -0.13 -0.12 -0.14 -0.11 -0.10 -0.15 -0.12 -0.06 -0.14 0.04 0.15 -0.19 0.04 0.17 -0.17 0.04 0.10 -0.13 -0.09 -0.04 0.09 -0.11 -0.07 0.05 -0.07 -0.01 0.07 -0.05 -0.09 0.08 -0.09 -0.02 0.04 0.02 -0.08 0.04 0.03 -0.01 -0.05 0.02 -0.03 -0.05 0.03 -0.03 -0.06 -0.07 -0.05 0.07 -0.06 -0.05 0.08 -0.07 -0.07 0.09 -0.05 0.00 -0.05 -0.07 0.01 -0.05 -0.14 0.10 -0.12 -0.07 -0.01 -0.03 -0.02 0.01 -0.04 -0.02 -0.09 -0.06 0.00 0.05 0.02 -0.01 0.02 -0.01 -0.06 0.05 -0.10 0.00 0.10 0.04 0.09 -0.16 0.04 0.08 -0.04 -0.11 0.04 -0.03 -0.10 -0.01 -0.02 0.07 -0.04 -0.01 0.03 0.10 -0.02 -0.10 -0.02 -0.01 0.06 -0.04 0.15 0.03 -0.01 0.12 0.01 0.10 -0.17 0.16 0.11 -0.12 0.21 -0.11 0.07 0.21 -0.03 0.06 0.22 -0.04 -0.02 0.19 0.01 -0.01 -0.01 0.00 -0.05 -0.02 0.02 -0.00 -0.01 -0.04 -0.11 -0.15 -0.05 -0.12 -0.15 -0.00 -0.04 -0.11 -0.14 0.05 -0.00 -0.11 0.07 -0.00 -0.12 0.05 -0.02 0.08 0.03 -0.11 0.06 -0.03 -0.05 0.03 -0.03 -0.02 0.01 -0.07 -0.05 -0.04 -0.05 -0.06 0.03 -0.06 -0.06 0.10 0.09 0.05 0.06 0.11 0.03 0.09 0.02 0.03 -0.10 -0.16 0.09 -0.09 -0.15 0.09 -0.09 -0.11 0.12 0.04 0.19 0.00 0.04 0.16 0.05 0.04 0.20 -0.01 0.10 -0.02 -0.01 0.08 -0.01 -0.02 0.01 0.03 -0.13 0.12 -0.04 -0.05 0.01 0.01 0.00 -0.05 0.03 0.05 0.01 0.03 0.04 -0.03 -0.03 -0.06 0.09 0.01 -0.01 0.08 -0.07 -0.08 0.01 -0.02 0.12 0.13 -0.07 0.22 0.10 -0.06 0.21 -0.02 0.06 -0.02 0.01 0.02 -0.01 0.16 -0.09 0.06 0.00 0.06 0.06 0.05 -0.02 -0.07 0.04 -0.01 -0.07 0.07 -0.04 0.17 0.09 0.02 0.21 0.04 0.01 0.11 0.08 0.00 0.09 0.03 -0.01 0.11 -0.17 -0.02 -0.09 -0.15 0.02 -0.03 -0.09 0.08 -0.07 -0.09 0.02 -0.03 -0.09 0.03 -0.03 -0.09 -0.01 -0.05 0.06 -0.04 0.02 0.08 -0.00 -0.00 0.06 -0.03 0.01 0.07 -0.03 -0.08 0.05 -0.10 -0.05 0.02 0.01 -0.10 -0.14 0.13 0.13 -0.09 0.13 0.14 -0.08 0.06 0.14 -0.02 -0.04 -0.08 -0.00 -0.02 -0.07 -0.03 -0.04 -0.07 -0.11 0.15 -0.15 -0.09 0.20 -0.10 -0.09 0.14 -0.11 -0.05 -0.03 -0.09 -0.05 -0.03 -0.09 -0.04 -0.03 -0.09 0.17 -0.13 -0.07 0.06 -0.10 -0.02 0.09 0.00 -0.01 0.14 -0.17 -0.07 -0.06 0.02 0.05 -0.03 0.02 0.03 0.03 -0.12 -0.08 0.01 0.22 0.07 -0.24 -0.04 0.15 0.10 -0.06 -0.02 -0.02 0.04 -0.04 0.11 0.00 -0.05 0.09 0.02 0.00 0.06 -0.04 -0.02 0.02 -0.01 -0.05 0.10 -0.01 -0.03 0.05 -0.04 -0.08 0.05 -0.02 -0.05 0.06 0.02 -0.07 0.01 0.03 -0.04 0.04 0.05 -0.07 -0.04 0.09 -0.02 -0.09 0.14 0.06 -0.02 0.04 -0.03 -0.04 0.00 -0.02 -0.05 -0.01 -0.06 -0.04 0.11 0.01 -0.03 0.04 -0.03 -0.04 0.06 -0.06 0.01 0.02 -0.04 -0.03 -0.00 -0.10 -0.03 0.01 -0.10 -0.09 -0.04 -0.03 0.00 -0.16 0.12 0.02 -0.10 0.03 0.00 -0.10 0.06 -0.03 -0.01 -0.10 -0.05 -0.01 -0.12 0.02 -0.01 -0.11 -0.14 0.08 0.23 -0.18 0.07 0.21 -0.10 0.09 0.19 0.00 0.02 -0.04 0.00 0.02 -0.04 0.01 0.05 -0.02 0.12 -0.06 -0.10 0.19 0.02 -0.08 -0.01 -0.09 0.02 0.22 -0.10 0.02 0.14 -0.07 0.05 -0.15 -0.03 0.18 0.25 -0.13 -0.04 0.02 -0.02 -0.03 0.01 -0.06 -0.03 0.03 0.01 0.01 0.03 -0.01 -0.03 0.02 0.01 -0.07 0.13 -0.00 0.05 -0.16 0.03 -0.03 0.04 0.01 -0.04 0.04 0.02 -0.04 -0.02 -0.00 0.02 -0.02 -0.01 0.01 0.05 0.02 -0.04 -0.01 -0.00 0.06 0.06 0.07 0.03 0.09 0.07 -0.01 -0.24 0.07 -0.01 -0.29 0.02 0.00 0.03 -0.09 -0.09 0.04 -0.10 -0.12 -0.04 -0.03 -0.06 -0.06 -0.02 -0.03 -0.08 -0.05 -0.06 -0.03 0.13 0.01 -0.01 -0.03 0.02 0.01 -0.03 0.06 -0.04 0.02 0.04 -0.06 -0.01 -0.00 -0.02 0.02 0.01 -0.03 -0.02 -0.03 -0.10 0.10 0.11 -0.10 0.14 0.12 -0.05 0.09 0.09 -0.03 -0.06 -0.06 -0.05 -0.04 -0.06 -0.02 -0.06 -0.07 0.06 -0.06 -0.08 0.06 -0.07 -0.08 0.04 -0.05 -0.06 0.07 0.09 0.11 0.04 0.02 0.04 0.05 0.03 0.06 -0.15 0.12 0.13 -0.22 0.02 0.14 -0.04 0.12 0.06 0.31 -0.13 0.04 0.19 -0.08 0.07 -0.03 0.02 -0.05 0.34 -0.18 -0.06 -0.06 0.03 -0.01 -0.06 -0.00 -0.01 -0.11 0.11 0.08 -0.09 -0.11 0.05 0.01 0.07 -0.08 0.10 0.05 0.06 -0.10 0.06 0.01 -0.06 -0.18 0.04 -0.10 -0.17 0.05 0.08 -0.03 0.03 0.04 -0.03 -0.01 -0.02 -0.14 0.01 0.03 -0.03 -0.01 0.11 0.06 0.08 0.15 -0.05 0.07 -0.10 0.06 -0.02 -0.13 0.05 0.01 -0.04 0.05 -0.05 -0.03 0.05 -0.04 -0.04 0.05 -0.05 0.01 -0.01 0.01 0.01 -0.02 -0.00 -0.00 -0.02 0.01 -0.12 0.02 0.02 -0.15 0.07 -0.09 0.01 -0.06 -0.01 -0.03 0.00 -0.03 -0.01 0.02 -0.02 -0.01 0.02 -0.05 0.01 0.17 -0.03 0.00 0.16 0.00 0.02 0.12 -0.00 0.01 -0.05 -0.02 -0.00 -0.03 0.00 -0.02 -0.07 -0.00 0.06 0.03 -0.00 0.05 0.06 -0.01 0.07 0.04 -0.01 0.05 0.05 0.10 0.02 -0.02 0.07 0.02 0.03 0.05 0.28 -0.23 -0.19 0.40 -0.05 -0.25 0.15 -0.22 -0.11 0.07 -0.02 0.02 0.05 0.01 0.00 -0.01 0.07 -0.09 0.02 -0.06 0.03 0.00 0.00 -0.05 -0.07 0.02 0.00 0.09 -0.06 -0.08 0.02 0.11 -0.08 -0.03 -0.02 -0.01 0.20 0.08 0.19 -0.06 0.03 -0.00 -0.01 -0.04 0.04 -0.04 -0.03 0.04 0.01 0.04 -0.11 0.00 0.04 -0.11 0.01 -0.02 0.01 0.02 0.04 -0.09 0.32 0.01 0.28 0.38 -0.23 0.29 0.04 -0.01 -0.03 0.08 0.05 -0.02 0.04 -0.05 0.03 0.03 -0.06 0.00 0.05 -0.03 0.02 -0.07 -0.03 -0.03 -0.07 -0.03 -0.01 -0.07 -0.12 -0.06 -0.22 0.04 0.04 -0.24 0.03 0.02 -0.16 0.07 0.07 -0.01 0.01 -0.06 0.06 0.02 0.02 0.01 -0.05 -0.10 0.03 -0.03 -0.01 0.03 -0.03 -0.01 0.02 -0.04 0.01 -0.03 -0.02 0.01 -0.04 -0.02 0.00 -0.03 -0.02 0.01 0.02 -0.00 -0.04 0.01 -0.01 -0.05 0.02 -0.00 -0.04 0.03 -0.09 0.03 0.03 -0.09 0.01 0.03 -0.09 0.03 -0.02 0.09 0.04 -0.07 0.05 0.01 0.03 0.08 0.01 -0.13 0.02 0.01 -0.10 0.06 -0.05 -0.01 -0.01 0.01 -0.18 -0.02 0.04 -0.02 -0.03 -0.03 -0.04 -0.05 -0.02 0.02 -0.05 -0.04 -0.00 0.03 -0.04 -0.05 -0.03 -0.01 0.10 -0.05 0.05 0.00 0.00 0.05 0.01 -0.02 -0.10 -0.02 -0.01 -0.10 -0.06 -0.05 0.17 -0.07 -0.09 0.15 0.02 0.01 -0.06 -0.07 -0.05 0.21 0.15 -0.12 0.04 0.16 -0.14 0.05 0.00 0.00 0.08 -0.01 0.02 0.12 -0.11 0.04 -0.02 -0.05 0.05 0.01 -0.09 -0.03 -0.03 0.26 -0.01 0.01 0.27 0.00 -0.00 0.19 -0.16 -0.02 -0.02 0.03 0.02 -0.03 0.01 0.01 -0.04 0.02 0.01 -0.02 -0.12 0.06 0.01 -0.10 0.07 0.01 -0.11 0.04 0.04 0.09 -0.07 0.03 0.03 -0.05 -0.01 0.13 -0.10 0.10 0.01 -0.04 0.07 0.04 -0.02 0.07 0.01 -0.03 -0.03 -0.04 0.03 -0.01 -0.04 0.04 -0.05 -0.04 0.05 -0.15 0.28 -0.06 -0.14 0.32 -0.03 -0.15 0.21 -0.09 -0.07 0.01 0.00 -0.09 -0.01 -0.00 -0.05 -0.01 0.00 -0.01 0.04 0.01 0.07 0.03 -0.05 -0.00 -0.03 0.00 -0.04 0.04 0.05 0.02 0.00 -0.02 -0.01 0.01 0.00 0.06 -0.00 -0.01 0.01 0.02 -0.08 0.04 -0.00 -0.01 -0.00 0.07 0.03 0.01 -0.01 0.01 0.00 -0.05 0.03 -0.02 -0.05 0.01 0.25 -0.11 0.09 0.17 -0.04 0.03 0.03 -0.04 -0.01 0.32 -0.13 0.07 0.00 0.07 0.05 0.02 0.02 0.04 -0.03 0.01 0.01 -0.01 -0.05 -0.10 -0.13 0.32 0.00 -0.11 0.32 0.00 -0.07 0.26 -0.02 -0.05 -0.01 -0.01 -0.05 -0.03 0.02 -0.01 0.01 -0.02 0.03 -0.04 -0.05 0.07 -0.04 0.03 -0.10 -0.05 -0.08 0.03 0.03 0.01 0.03 0.03 -0.01 0.01 0.01 0.04 0.01 0.02 -0.03 0.00 0.02 0.02 0.04 0.00 -0.03 -0.02 -0.06 0.03 -0.01 -0.06 0.04 -0.01 -0.06 0.03 -0.07 -0.03 -0.02 -0.06 -0.01 -0.02 -0.05 -0.02 -0.03 0.15 -0.04 -0.02 0.09 -0.12 0.00 0.13 0.11 -0.00 -0.25 -0.12 0.01 -0.27 -0.15 0.02 -0.22 -0.12 -0.02 -0.05 0.00 0.02 -0.04 0.01 0.00 0.04 -0.00 -0.01 -0.05 -0.01 0.02 -0.02 -0.04 -0.00 -0.02 -0.03 -0.00 -0.10 -0.01 0.01 -0.03 -0.08 0.05 0.01 -0.03 -0.01 0.06 -0.04 0.03 0.02 0.03 -0.10 -0.04 0.33 -0.05 0.06 0.29 -0.07 -0.02 -0.03 0.09 -0.01 -0.04 0.10 -0.12 0.26 0.03 -0.04 -0.03 0.07 0.07 -0.04 0.04 0.06 -0.02 0.05 0.09 0.00 -0.20 0.19 -0.02 -0.39 0.05 0.07 0.24 0.08 0.01 0.11 0.05 0.17 0.23 -0.02 -0.03 -0.03 -0.02 -0.02 -0.03 0.02 0.08 -0.00 -0.10 -0.01 0.01 -0.12 -0.03 -0.00 -0.09 -0.01 0.01 0.02 -0.03 0.04 0.04 -0.03 0.06 0.03 -0.05 0.03 -0.09 0.01 -0.04 -0.11 -0.03 -0.01 -0.09 0.00 -0.04 0.01 0.01 -0.03 0.00 0.00 -0.05 -0.01 0.07 -0.05 0.05 0.00 -0.06 0.05 -0.03 -0.06 0.02 -0.00 -0.04 0.02 -0.01 -0.06 0.05 -0.01 -0.09 0.09 0.04 0.04 -0.01 -0.08 -0.02 0.01 -0.04 -0.06 -0.01 -0.07 -0.03 0.10 -0.03 0.04 0.07 -0.03 0.08 -0.02 -0.04 -0.03 0.20 0.01 -0.04 0.01 0.06 -0.02 0.01 0.02 -0.02 0.09 0.03 -0.02 0.03 0.09 -0.05 -0.02 0.05 -0.02 0.01 -0.05 -0.04 0.02 0.02 -0.15 -0.14 -0.24 0.22 -0.15 -0.24 0.22 -0.06 0.01 0.02 -0.05 -0.01 0.04 -0.10 -0.24 0.11 -0.05 0.01 0.06 -0.02 -0.05 -0.07 -0.02 -0.01 -0.08 0.01 0.02 -0.20 0.08 -0.03 -0.36 0.02 -0.01 0.25 0.03 -0.07 0.14 0.00 0.09 0.25 0.06 0.04 0.06 0.05 0.05 -0.08 -0.12 -0.10 0.07 0.04 -0.05 -0.05 0.05 -0.06 -0.01 0.01 -0.01 -0.03 -0.01 0.00 0.02 -0.03 -0.00 0.00 0.00 0.04 0.02 -0.10 0.01 0.01 -0.10 0.01 0.03 -0.07 0.03 -0.03 0.02 -0.00 -0.17 0.05 0.07 -0.06 -0.04 -0.13 -0.12 0.01 -0.02 0.01 0.01 -0.01 0.00 0.01 -0.03 0.01 0.01 0.06 -0.01 0.05 0.04 -0.12 0.08 0.03 0.07 -0.01 0.00 0.07 -0.02 -0.02 0.08 0.01 0.02 0.04 0.03 0.01 -0.03 0.03 0.02 -0.04 -0.05 0.06 -0.01 -0.06 -0.04 0.05 -0.01 -0.07 -0.01 -0.02 -0.01 0.01 0.00 -0.12 -0.07 -0.02 -0.04 -0.05 -0.00 -0.09 0.05 0.04 -0.03 -0.03 0.05 -0.03 0.04 -0.14 0.10 0.17 -0.08 0.06 0.11 -0.07 0.01 -0.00 0.01 0.04 0.09 -0.17 0.06 0.13 -0.07 0.01 -0.08 0.02 -0.02 -0.04 0.00 0.02 -0.03 0.04 -0.03 0.08 -0.04 0.01 0.25 -0.04 -0.00 -0.11 -0.11 0.06 -0.00 0.02 -0.08 -0.14 -0.08 -0.01 0.01 -0.08 0.04 -0.13 -0.21 0.05 0.07 0.02 0.01 -0.00 0.01 -0.00 -0.01 0.03 0.02 0.00 0.17 0.04 0.09 0.14 0.02 0.08 0.14 -0.01 0.13 0.06 0.23 -0.21 0.04 0.16 -0.14 0.03 0.15 -0.11 0.02 0.03 -0.19 0.10 0.06 -0.11 -0.06 -0.03 -0.16 -0.09 0.03 0.13 -0.08 0.03 0.14 -0.08 0.04 0.13 0.06 -0.10 0.08 0.05 -0.17 -0.02 0.05 -0.13 0.04 0.02 0.05 0.01 0.02 0.04 0.03 -0.02 0.03 0.05 0.07 -0.02 0.03 0.03 -0.02 0.07 -0.02 -0.10 0.06 0.09 -0.03 0.02 -0.05 0.07 -0.00 -0.15 0.06 0.05 -0.03 0.09 0.05 -0.13 0.04 -0.13 0.02 0.05 -0.01 0.12 0.08 0.06 0.20 -0.19 0.04 -0.15 0.07 0.06 -0.10 0.04 0.02 0.02 0.00 -0.00 -0.00 -0.02 -0.03 -0.18 0.04 0.10 0.01 0.00 0.01 0.13 0.05 0.06 0.19 -0.05 0.03 0.16 -0.15 0.08 0.19 -0.17 0.00 -0.04 -0.02 -0.10 -0.02 0.01 -0.06 -0.01 -0.08 -0.11 0.00 -0.07 -0.05 -0.00 -0.07 -0.06 0.03 0.01 -0.03 0.32 0.01 -0.01 0.33 -0.02 0.04 0.21 -0.00 -0.03 -0.03 -0.04 -0.02 -0.00 -0.01 -0.01 -0.01 -0.02 -0.04 -0.16 -0.09 0.12 -0.17 -0.09 0.19 -0.10 -0.06 0.05 0.03 -0.06 -0.06 0.01 -0.03 -0.04 -0.04 -0.05 -0.05 0.01 -0.01 -0.04 0.03 0.01 -0.04 0.01 -0.01 -0.04 -0.04 0.00 -0.04 -0.04 0.01 -0.03 -0.04 0.01 -0.04 0.02 0.02 -0.05 0.02 -0.00 -0.02 0.01 0.01 -0.04 0.06 -0.01 0.12 0.05 0.01 0.11 -0.01 0.08 -0.00 0.08 -0.03 0.08 -0.00 0.03 -0.02 0.03 -0.06 -0.06 -0.01 0.05 0.01 0.05 0.05 0.08 -0.05 0.05 -0.06 -0.02 -0.20 -0.02 0.02 -0.04 0.13 0.00 0.04 0.11 0.03 0.03 0.16 -0.03 -0.08 0.20 -0.05 -0.02 0.20 -0.02 -0.01 0.07 -0.01 -0.08 0.13 -0.01 -0.19 -0.01 -0.05 -0.11 0.02 0.08 -0.06 0.10 0.10 -0.03 0.11 -0.05 0.06 -0.14 -0.03 0.06 -0.15 0.00 0.03 -0.17 -0.02 0.09 0.08 -0.02 0.12 -0.06 -0.22 -0.07 0.09 -0.10 0.06 0.12 -0.16 0.04 0.03 -0.05 0.01 0.11 -0.03 0.08 -0.00 -0.06 0.04 0.05 -0.02 0.06 -0.01 -0.00 -0.10 0.13 0.01 -0.05 0.11 0.03 -0.09 0.13 0.00 0.10 -0.16 0.03 0.11 -0.13 0.01 0.04 -0.15 0.07 -0.04 -0.19 0.11 -0.04 -0.16 -0.01 -0.02 -0.13 0.05 -0.11 0.03 0.05 -0.12 0.01 0.04 -0.07 0.03 -0.01 0.03 -0.08 -0.05 -0.01 -0.10 0.06 0.03 -0.11 0.03 0.02 -0.15 -0.00 0.01 -0.13 -0.03 0.05 -0.07 -0.01 0.01 -0.10 0.07 -0.02 0.02 0.14 -0.00 -0.01 0.06 -0.03 -0.01 0.12 -0.02 0.10 0.02 -0.01 0.01 -0.06 0.12 0.01 0.00 -0.05 0.10 -0.14 0.01 0.07 -0.07 -0.02 0.03 0.08 0.03 -0.14 0.05 -0.01 -0.19 -0.18 -0.02 0.09 0.17 0.02 0.03 -0.12 0.15 -0.04 -0.11 0.19 -0.08 0.13 -0.09 0.02 0.21 -0.03 -0.02 -0.13 0.03 -0.02 -0.09 0.04 -0.00 -0.06 -0.04 -0.05 0.04 -0.05 -0.04 0.02 -0.12 -0.02 0.11 0.04 -0.03 -0.18 0.08 0.19 -0.26 0.07 0.06 -0.05 0.05 0.21 -0.08 -0.08 -0.03 -0.06 -0.05 -0.07 -0.07 -0.02 -0.03 -0.08 0.02 -0.02 -0.11 -0.05 0.08 -0.06 0.05 -0.07 0.02 -0.17 -0.02 -0.02 -0.14 0.00 -0.04 -0.16 -0.01 -0.04 -0.11 -0.03 -0.01 -0.04 -0.03 -0.00 -0.11 -0.05 0.02 0.12 -0.06 -0.01 0.07 -0.07 0.02 0.13 -0.06 0.02 0.13 -0.11 -0.03 0.06 -0.10 0.07 0.05 -0.06 0.04 0.00 0.10 0.05 0.00 0.10 0.00 -0.01 0.01 0.07 0.02 0.07 0.06 -0.02 -0.02 0.01 0.07 0.04 0.04 0.02 0.03 -0.01 -0.15 -0.11 0.15 -0.02 -0.02 0.00 -0.21 0.08 0.00 -0.05 -0.02 -0.02 0.04 -0.04 0.02 0.02 -0.07 -0.03 0.02 -0.05 -0.12 0.08 -0.14 -0.05 0.02 -0.02 0.09 0.00 0.02 0.01 -0.17 0.11 0.02 -0.20 0.10 0.01 -0.05 -0.03 0.04 -0.04 -0.06 -0.07 0.02 0.02 -0.11 0.07 0.11 -0.03 -0.04 0.01 0.03 0.11 0.10 0.02 0.05 0.10 0.02 0.03 0.08 0.03 0.01 0.03 0.03 0.01 0.04 0.05 0.03 0.05 -0.21 0.09 -0.11 -0.19 0.05 0.01 -0.16 0.08 -0.20 -0.07 0.03 -0.03 -0.09 0.00 0.05 -0.03 0.02 -0.05 -0.02 0.02 0.08 -0.09 0.01 0.03 0.03 0.06 0.06 -0.11 -0.07 0.23 -0.10 0.00 0.24 -0.08 -0.10 0.20 0.11 0.00 -0.02 0.09 -0.03 -0.03 0.12 0.04 -0.00 0.03 0.07 -0.02 0.05 0.09 0.00 -0.04 0.02 0.08 0.09 -0.02 -0.21 0.06 -0.02 -0.20 0.06 -0.01 -0.02 0.04 -0.05 -0.16 -0.07 0.02 -0.00 -0.06 -0.04 -0.02 -0.03 -0.04 -0.05 -0.03 0.11 0.03 -0.11 0.01 0.02 0.01 -0.05 -0.01 0.04 -0.12 0.03 -0.04 -0.11 -0.17 -0.12 -0.07 -0.13 -0.00 0.01 -0.01 0.09 0.02 0.09 0.00 -0.05 -0.16 0.03 0.00 -0.02 -0.01 0.02 0.04 -0.05 0.06 0.07 0.01 -0.10 -0.04 0.03 -0.16 -0.15 -0.02 0.01 0.05 -0.02 -0.02 -0.01 -0.02 0.04 0.04 -0.00 0.09 0.10 0.00 0.07 0.14 0.07 0.21 0.12 0.08 0.00 0.11 0.04 -0.02 0.05 0.13 -0.01 0.12 0.22 0.02 0.11 0.20 0.01 0.06 0.18 -0.01 0.16 -0.13 0.05 -0.09 -0.16 0.02 0.06 -0.06 0.02 -0.11 -0.02 0.05 0.20 0.04 -0.00 0.17 -0.01 0.10 0.19 -0.02 -0.07 -0.10 0.00 -0.03 -0.10 -0.02 -0.05 -0.09 0.11 0.01 0.03 0.07 -0.04 0.05 0.09 0.04 0.01 0.05 0.12 -0.09 0.01 0.04 -0.06 0.10 0.08 -0.07 0.03 -0.12 -0.11 0.01 -0.11 -0.11 -0.09 0.00 0.01 -0.02 -0.15 -0.08 0.01 0.00 -0.02 0.01 -0.03 -0.03 -0.01 0.04 0.02 -0.00 -0.04 -0.02 0.02 0.01 -0.04 0.06 0.09 -0.12 -0.05 -0.07 0.01 0.14 -0.06 -0.03 0.12 -0.05 0.03 -0.14 -0.01 0.12 -0.13 0.02 0.14 0.15 -0.08 -0.11 -0.07 -0.02 0.14 0.11 -0.02 -0.16 0.11 -0.03 -0.15 -0.08 -0.04 -0.04 -0.09 -0.10 -0.12 -0.09 0.02 0.07 -0.12 0.03 0.06 -0.07 0.03 0.05 -0.08 -0.14 -0.15 -0.04 -0.02 -0.04 -0.00 -0.16 -0.18 0.02 -0.02 0.11 -0.01 -0.01 0.05 0.10 -0.01 0.13 0.02 0.06 -0.06 0.00 0.05 -0.06 0.01 0.04 -0.05 -0.01 -0.04 -0.01 -0.02 -0.03 0.04 0.03 -0.04 -0.04 0.00 0.14 0.01 0.00 0.11 -0.02 0.05 0.14 -0.00 -0.08 -0.13 0.08 -0.03 -0.04 0.09 -0.10 -0.12 0.09 0.18 -0.01 0.00 0.16 -0.05 -0.02 0.19 0.04 0.02 0.07 0.14 -0.07 0.06 0.11 -0.05 0.06 0.08 0.00 -0.09 0.11 0.21 -0.10 0.12 0.22 0.01 0.01 -0.04 -0.03 0.11 0.13 -0.06 -0.00 0.01 -0.07 -0.02 0.02 -0.09 0.01 0.01 -0.06 0.02 0.01 -0.02 -0.01 0.02 -0.08 0.03 0.04 -0.05 -0.03 -0.01 0.23 0.13 0.14 0.18 0.14 0.11 0.01 0.05 -0.12 0.05 0.00 -0.09 0.26 0.14 0.05 0.04 0.04 -0.02 -0.04 0.04 0.10 -0.04 -0.04 0.13 -0.14 0.01 -0.00 -0.20 -0.06 0.01 -0.16 -0.01 0.09 -0.10 -0.05 0.03 -0.15 0.00 0.09 0.00 0.06 0.07 -0.03 -0.01 -0.05 -0.08 0.10 0.11 0.09 -0.05 0.01 0.09 -0.04 0.01 0.12 -0.03 0.03 0.04 -0.07 0.06 0.05 -0.07 0.05 0.04 -0.08 0.07 0.12 -0.03 0.03 0.13 -0.03 -0.05 0.07 0.02 -0.00 0.02 -0.14 -0.17 0.03 -0.09 -0.11 0.04 -0.21 -0.16 0.02 -0.13 -0.05 0.03 -0.06 -0.06 0.06 -0.12 -0.07 0.11 0.09 -0.09 0.08 0.02 -0.13 0.13 0.13 -0.05 0.09 0.07 -0.02 0.05 0.02 -0.01 0.12 0.05 -0.01 -0.11 -0.00 -0.11 -0.02 -0.06 -0.11 0.02 -0.01 0.02 -0.06 0.08 -0.08 0.02 0.00 -0.03 0.01 -0.03 -0.03 0.00 0.04 0.01 0.00 -0.04 -0.06 0.04 0.00 -0.03 -0.02 0.03 0.01 -0.05 -0.13 0.05 0.10 0.01 0.06 0.08 0.02 0.04 0.09 -0.04 0.01 0.06 -0.03 -0.03 0.12 0.03 0.02 0.17 -0.05 0.09 -0.00 0.03 0.02 0.00 -0.00 0.03 -0.11 -0.09 -0.10 -0.13 -0.22 -0.24 0.25 0.06 0.01 0.12 0.08 0.04 0.15 0.12 0.06 0.02 0.02 0.02 0.01 0.02 -0.06 -0.08 -0.03 0.03 0.05 -0.04 0.22 0.01 -0.03 0.15 0.08 -0.08 0.21 0.01 -0.06 0.04 0.02 -0.04 0.03 0.02 -0.04 0.04 0.01 0.01 -0.00 0.00 -0.06 -0.05 -0.08 0.00 0.05 0.01 -0.02 -0.08 0.02 -0.00 -0.05 -0.00 -0.05 -0.07 -0.14 0.12 0.07 -0.14 0.10 0.07 -0.14 0.08 0.05 -0.21 -0.03 0.10 -0.16 0.03 0.06 -0.20 -0.11 0.09 -0.07 0.10 -0.22 -0.03 0.11 -0.14 -0.17 0.05 -0.10 -0.05 -0.01 -0.02 -0.01 -0.03 -0.03 0.04 0.00 -0.03 -0.04 0.01 -0.01 0.02 0.05 -0.10 0.04 -0.17 -0.17 -0.02 0.16 0.04 0.03 -0.04 -0.07 0.02 0.06 -0.15 0.01 0.06 -0.04 0.00 0.07 -0.01 0.04 0.02 -0.00 0.02 0.03 0.01 -0.05 0.05 -0.05 0.04 0.02 0.05 0.05 0.02 -0.02 -0.21 0.07 -0.20 0.03 0.08 0.00 -0.01 0.08 0.04 0.09 0.03 0.03 0.15 0.12 0.06 -0.05 -0.03 -0.04 -0.06 0.02 0.07 -0.01 -0.13 -0.05 0.01 0.04 0.05 0.00 0.04 -0.00 -0.02 0.14 0.09 -0.11 0.07 -0.04 -0.14 0.03 -0.06 -0.11 0.07 -0.04 0.19 -0.07 0.11 0.19 -0.05 0.05 0.19 -0.06 0.12 -0.11 -0.10 0.13 -0.10 -0.05 0.14 -0.05 -0.07 0.07 0.00 -0.00 -0.01 0.07 -0.01 0.02 -0.01 -0.03 -0.00 -0.04 0.02 0.26 -0.10 0.05 0.22 0.06 0.04 0.20 0.03 0.01 -0.04 0.02 -0.00 -0.04 0.03 0.02 -0.03 -0.05 -0.08 0.05 0.04 0.08 -0.02 -0.16 -0.10 0.13 -0.07 -0.09 -0.02 -0.03 -0.11 -0.03 0.02 0.08 -0.13 -0.04 -0.06 -0.02 -0.02 0.01 -0.02 -0.02 -0.04 -0.03 -0.01 0.02 -0.01 -0.01 0.02 -0.01 -0.02 0.01 -0.02 -0.06 -0.11 0.17 0.00 -0.00 -0.00 0.02 -0.02 -0.01 0.02 -0.02 -0.03 0.04 0.02 -0.06 0.07 0.03 -0.03 0.02 -0.02 -0.02 0.03 0.02 -0.10 -0.11 -0.11 0.11 -0.11 0.01 0.08 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.03 -0.09 0.01 0.02 -0.08 -0.22 -0.72 -0.25 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.05 -0.00 0.08 0.01 -0.05 0.10 0.05 0.00 0.09 -0.02 -0.01 0.00 -0.02 -0.00 0.01 -0.00 -0.01 -0.01 -0.03 -0.02 0.03 0.01 -0.01 0.06 -0.04 -0.05 0.04 -0.01 0.00 0.02 -0.03 0.01 0.00 0.03 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.13 0.19 0.01 0.04 0.31 -0.05 -0.01 0.01 -0.02 0.08 0.06 -0.05 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.04 -0.06 -0.00 -0.00 -0.01 0.01 0.09 -0.04 0.02 0.10 -0.04 0.02 -0.01 -0.01 0.03 0.01 0.08 0.06 0.09 -0.06 -0.04 -0.06 -0.00 -0.18 -0.01 -0.08 0.01 -0.02 -0.08 0.03 0.03 -0.02 0.01 0.08 0.00 -0.04 -0.01 -0.05 0.00 0.01 -0.06 -0.00 -0.02 -0.05 0.00 -0.15 -0.06 -0.01 -0.18 -0.17 0.10 0.24 0.67 0.12 0.00 0.03 0.00 0.00 0.03 0.01 -0.03 0.02 -0.01 0.02 0.11 -0.01 -0.01 0.06 0.03 0.01 0.07 0.00 -0.11 -0.01 -0.07 -0.13 -0.03 0.03 -0.07 -0.01 -0.10 0.15 -0.13 0.00 0.07 -0.11 -0.02 0.12 -0.07 -0.01 0.04 0.08 0.01 0.03 0.03 0.01 0.03 0.09 0.02 -0.02 0.09 0.06 -0.02 0.09 0.04 -0.02 0.03 0.02 -0.04 -0.04 -0.01 -0.03 -0.02 -0.02 -0.05 -0.03 -0.02 -0.01 0.11 -0.05 -0.01 -0.02 0.08 -0.02 -0.01 -0.01 0.02 0.20 0.01 -0.00 0.02 -0.03 0.00 -0.03 -0.05 0.01 0.05 0.02 -0.01 0.00 -0.03 -0.02 0.02 -0.03 0.00 -0.06 0.02 0.00 0.04 -0.02 -0.14 0.01 -0.02 -0.08 -0.03 -0.09 0.01 -0.02 0.02 0.02 0.03 0.03 -0.19 0.01 0.13 0.17 -0.04 0.11 0.00 -0.05 0.02 -0.02 -0.01 0.03 -0.04 0.05 -0.01 -0.09 0.02 0.01 0.04 0.05 0.01 -0.01 0.06 0.02 0.01 0.07 0.02 -0.05 -0.07 -0.01 -0.07 -0.13 0.09 0.28 0.59 0.11 -0.02 -0.05 -0.02 -0.04 -0.05 -0.04 0.04 -0.02 0.01 0.06 0.06 0.03 0.04 0.04 0.05 0.05 0.02 0.04 0.15 -0.01 0.10 0.19 0.02 -0.06 0.10 0.01 0.12 0.06 -0.06 0.05 0.03 -0.06 0.04 0.02 -0.04 0.04 -0.14 -0.10 -0.03 -0.10 -0.03 -0.02 -0.14 -0.11 -0.03 -0.09 -0.03 -0.09 -0.05 0.06 -0.02 -0.07 -0.00 -0.05 0.09 0.07 0.06 0.10 0.08 0.07 0.08 0.09 0.06 0.06 0.06 -0.03 0.06 -0.04 0.08 0.04 0.03 -0.00 0.04 0.11 0.06 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.01 0.01 0.04 -0.01 -0.02 0.00 0.01 0.02 -0.03 0.01 -0.03 -0.06 0.04 -0.13 -0.00 -0.02 -0.09 -0.02 -0.06 -0.07 0.05 -0.03 -0.02 0.06 0.02 -0.16 0.01 0.11 -0.29 0.08 -0.31 0.00 -0.02 -0.00 -0.00 0.02 -0.01 -0.09 -0.04 -0.02 -0.16 -0.10 0.01 -0.08 -0.04 0.05 0.04 -0.07 0.03 -0.09 -0.06 0.06 0.01 -0.04 -0.01 0.01 -0.04 0.04 0.15 0.23 0.04 0.04 -0.02 0.12 0.04 -0.02 0.12 -0.01 -0.06 0.09 -0.00 0.03 -0.00 0.00 0.03 0.01 0.00 0.02 -0.01 0.18 0.02 0.07 0.20 0.03 -0.03 0.14 0.04 0.09 -0.02 0.01 0.04 -0.02 0.01 0.03 -0.02 0.00 0.04 0.23 0.08 0.11 0.15 0.00 0.08 0.25 0.09 0.10 0.04 -0.04 -0.12 0.04 -0.02 -0.06 0.04 0.02 -0.09 -0.16 -0.04 -0.18 -0.18 -0.06 -0.19 -0.14 -0.11 -0.13 0.04 0.01 -0.00 0.04 -0.02 0.03 0.02 0.01 0.03 0.01 0.03 0.05 0.02 -0.01 -0.02 0.02 -0.01 -0.02 0.01 0.02 0.01 -0.00 -0.03 -0.04 0.01 -0.00 -0.01 0.02 0.01 -0.01 -0.02 0.02 0.00 -0.03 0.03 0.00 -0.02 0.02 -0.04 0.14 -0.08 0.12 0.08 0.03 0.09 -0.04 0.03 0.03 0.01 -0.06 -0.20 0.01 0.01 -0.01 0.02 -0.00 -0.02 -0.01 0.01 0.02 -0.03 0.04 0.09 -0.13 -0.27 0.09 -0.16 -0.29 0.04 -0.11 -0.18 0.08 0.02 0.03 0.00 0.02 0.02 0.00 -0.06 -0.23 -0.06 -0.00 -0.00 0.03 -0.01 0.01 0.01 0.00 -0.03 0.02 0.01 0.03 -0.02 0.00 0.02 -0.02 -0.01 0.00 0.00 0.05 -0.00 0.03 0.05 0.01 0.02 0.06 0.02 -0.00 -0.03 -0.04 0.03 -0.04 -0.03 0.04 -0.01 -0.05 0.03 -0.21 0.29 -0.12 -0.16 0.19 -0.08 -0.24 0.35 -0.07 0.11 0.04 -0.09 0.11 0.02 -0.12 0.14 0.01 -0.06 0.02 0.03 0.00 0.10 0.10 0.06 -0.10 0.11 -0.01 -0.00 -0.03 0.01 -0.01 0.01 -0.03 0.04 -0.00 0.00 -0.00 -0.07 -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 -0.01 0.02 -0.00 -0.00 0.00 0.03 -0.02 0.01 0.06 -0.03 0.01 0.04 -0.00 -0.03 0.03 -0.04 -0.05 0.02 -0.05 -0.03 0.03 0.00 0.03 -0.03 -0.01 0.04 -0.03 -0.02 0.05 0.01 -0.01 0.01 0.02 0.01 0.01 -0.01 -0.02 -0.00 -0.02 -0.02 -0.00 0.01 -0.02 -0.01 0.11 -0.11 -0.01 0.14 -0.05 0.03 0.40 0.70 0.17 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.03 -0.07 0.05 0.00 -0.04 0.05 -0.01 -0.07 0.03 -0.04 -0.00 -0.01 -0.04 -0.01 0.02 -0.02 -0.01 -0.02 -0.17 0.11 -0.06 -0.10 0.10 -0.04 -0.12 0.06 -0.05 -0.02 0.03 -0.01 -0.02 0.03 -0.02 -0.01 0.03 -0.02 0.05 -0.03 0.03 0.03 -0.10 -0.04 0.05 -0.03 0.03 0.00 -0.00 0.01 0.01 0.00 0.01 -0.01 0.00 0.00 0.01 0.08 -0.03 0.12 -0.10 0.08 0.00 -0.00 -0.00 0.02 0.22 0.12 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.04 -0.01 0.01 -0.01 -0.04 -0.01 -0.02 -0.01 -0.01 0.02 -0.03 -0.02 -0.05 -0.06 -0.22 -0.13 -0.06 -0.03 -0.02 0.37 -0.07 0.76 -0.03 0.02 0.04 -0.02 0.01 0.03 -0.01 0.00 -0.01 -0.07 0.03 0.13 -0.03 -0.03 0.01 0.00 -0.01 0.04 -0.01 -0.08 0.00 -0.08 0.00 0.00 -0.07 0.03 0.00 -0.05 0.07 0.02 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.10 0.01 -0.00 -0.07 -0.02 0.01 -0.05 -0.00 0.02 -0.05 -0.01 0.03 -0.02 -0.04 0.03 -0.05 -0.02 0.12 0.10 -0.01 0.10 0.10 -0.03 0.08 0.12 -0.01 0.01 0.07 0.01 -0.01 0.05 -0.00 -0.06 -0.12 -0.03 0.04 0.01 0.01 0.05 0.06 0.05 0.04 0.01 0.01 -0.02 -0.02 -0.01 0.00 -0.01 0.01 -0.04 0.01 -0.03 0.02 0.01 -0.01 -0.03 0.02 0.01 0.01 -0.00 -0.01 0.02 -0.02 -0.04 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.03 -0.02 0.01 -0.00 0.02 0.01 -0.00 0.00 0.01 -0.01 -0.04 0.01 -0.02 0.01 0.09 -0.03 -0.00 0.03 -0.01 -0.02 -0.03 -0.02 -0.05 -0.04 -0.08 -0.06 0.11 0.02 0.05 0.39 -0.07 0.57 0.02 -0.02 -0.03 0.00 -0.00 -0.01 0.02 -0.03 0.02 0.22 -0.08 -0.36 -0.01 -0.02 -0.01 0.01 -0.02 -0.00 -0.09 0.00 0.03 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.02 -0.03 -0.01 -0.00 0.04 -0.01 0.00 0.03 0.01 -0.02 0.03 -0.02 0.01 0.07 0.02 0.00 0.06 0.03 0.00 0.05 0.02 -0.04 0.18 0.11 -0.08 0.11 0.23 -0.01 0.16 0.12 -0.03 -0.04 0.01 -0.03 -0.02 0.04 0.01 -0.09 0.02 0.02 0.04 0.01 0.00 0.02 0.01 -0.06 -0.12 -0.01 -0.04 -0.08 -0.12 -0.03 -0.08 -0.12 -0.03 -0.05 -0.09 -0.00 -0.02 0.01 0.01 -0.00 0.01 -0.02 0.01 -0.01 -0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 0.02 -0.02 0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.04 -0.02 -0.05 0.02 0.01 -0.04 -0.01 0.02 0.01 -0.03 0.03 -0.02 -0.02 -0.01 -0.04 -0.02 0.00 -0.03 0.01 0.04 -0.01 0.34 -0.06 0.37 0.05 -0.04 -0.06 0.02 0.01 -0.04 0.02 0.01 -0.05 -0.31 0.12 0.61 -0.00 0.01 0.01 0.05 0.04 0.08 0.12 -0.14 -0.04 0.06 0.00 0.00 0.05 -0.03 -0.01 0.03 -0.05 -0.01 -0.00 -0.02 0.01 -0.02 -0.02 -0.02 0.02 -0.03 0.01 0.01 0.13 0.05 -0.00 0.11 0.06 -0.00 0.09 0.05 -0.01 -0.07 -0.03 0.03 0.02 -0.20 -0.04 -0.05 -0.03 -0.09 -0.08 0.01 -0.07 -0.06 0.05 -0.09 -0.11 0.02 0.03 0.03 0.00 0.00 0.02 -0.01 -0.03 -0.12 -0.03 0.01 0.04 0.05 -0.02 -0.02 0.01 0.01 0.05 0.05 -0.01 -0.01 -0.02 -0.00 -0.01 0.00 -0.02 0.01 -0.03 -0.01 -0.02 0.02 0.02 -0.03 0.00 -0.03 -0.00 -0.01 -0.02 -0.00 0.04 0.00 -0.00 0.01 -0.00 0.03 0.02 0.02 -0.02 -0.01 -0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.03 0.01 0.04 0.07 -0.01 -0.06 0.05 -0.03 -0.01 0.02 -0.02 0.01 -0.01 -0.00 0.05 -0.01 -0.00 0.04 0.07 0.00 0.03 -0.16 0.02 -0.13 -0.04 0.03 0.05 -0.02 -0.00 0.04 0.06 -0.01 -0.08 -0.37 0.11 0.75 -0.01 0.02 0.02 0.02 0.05 0.08 0.16 -0.14 -0.06 -0.02 -0.00 -0.00 -0.01 -0.00 0.02 0.02 0.03 -0.00 0.00 -0.02 0.01 -0.02 -0.03 -0.02 0.03 -0.01 0.02 0.04 -0.06 -0.07 0.03 -0.06 -0.08 0.03 -0.03 -0.06 -0.06 0.09 0.08 -0.01 0.20 -0.11 -0.07 0.08 0.10 0.02 0.02 -0.00 0.02 -0.00 -0.03 0.05 0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.03 0.00 -0.02 -0.04 -0.07 -0.00 -0.02 -0.08 0.02 0.00 0.01 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.01 0.00 0.02 -0.01 -0.00 0.02 -0.01 -0.08 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.03 -0.00 -0.02 -0.01 -0.01 0.00 0.02 0.00 0.01 -0.00 0.01 0.07 -0.01 -0.10 0.04 0.00 -0.02 0.02 -0.03 -0.04 -0.01 -0.02 -0.02 0.14 0.03 -0.11 0.14 0.07 -0.12 0.02 -0.01 -0.02 -0.12 0.07 -0.46 0.11 -0.07 -0.13 0.07 -0.00 -0.10 0.03 0.01 -0.03 -0.14 0.05 0.29 -0.02 0.01 0.01 -0.03 0.02 0.02 0.05 -0.03 -0.03 -0.08 0.01 0.00 -0.06 0.05 0.02 -0.06 0.01 -0.00 -0.01 -0.02 0.00 -0.03 -0.03 -0.02 0.02 -0.01 0.01 -0.22 -0.01 0.31 -0.18 0.04 0.32 -0.14 0.03 0.21 -0.03 0.06 0.04 -0.01 0.10 -0.02 -0.02 0.04 0.05 0.13 0.09 -0.01 0.06 0.20 0.07 0.09 0.01 0.02 -0.02 -0.02 -0.02 -0.06 0.00 -0.05 0.09 0.07 -0.05 0.00 -0.04 -0.04 0.06 0.05 -0.03 0.04 -0.03 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.02 0.03 -0.03 -0.03 0.02 -0.07 -0.01 0.03 -0.01 0.00 0.01 -0.01 -0.05 -0.03 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.02 -0.00 -0.01 0.02 -0.02 0.04 -0.01 0.01 -0.03 0.00 -0.00 -0.01 -0.19 -0.32 -0.09 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 0.02 0.01 0.02 -0.04 0.00 0.04 -0.03 0.00 -0.05 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.15 -0.31 -0.08 -0.28 -0.22 0.25 0.02 0.03 0.05 0.05 0.06 0.12 0.06 -0.12 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.03 0.39 -0.07 0.02 0.35 -0.08 -0.02 0.34 -0.11 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.01 0.02 0.08 -0.02 0.00 0.07 -0.07 -0.05 0.02 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.02 -0.01 -0.02 -0.04 0.03 -0.04 0.01 -0.01 -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.02 0.02 0.02 -0.06 0.11 0.02 -0.03 0.03 0.05 -0.07 0.10 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.01 -0.03 0.00 -0.00 0.00 0.05 0.01 0.01 -0.17 -0.28 0.15 -0.30 0.03 -0.22 0.18 0.26 0.08 0.45 -0.01 0.01 0.02 -0.00 0.07 0.00 0.00 -0.05 -0.06 -0.03 0.01 -0.11 0.01 0.13 0.00 -0.01 0.05 -0.07 0.05 -0.02 -0.01 -0.01 -0.09 -0.03 -0.01 -0.10 -0.04 0.02 0.01 -0.04 0.16 -0.03 -0.01 0.00 -0.01 -0.06 0.05 0.13 0.01 -0.01 0.00 -0.05 0.02 0.05 0.03 -0.04 -0.01 -0.00 -0.01 0.00 -0.00 -0.03 0.04 0.07 0.04 -0.01 0.02 -0.00 -0.01 -0.02 -0.10 0.02 -0.04 0.05 0.01 -0.05 -0.02 -0.10 0.01 -0.02 -0.01 0.04 -0.01 -0.21 0.01 -0.00 -0.01 -0.00 -0.02 0.03 0.02 0.01 -0.02 0.01 0.01 -0.00 -0.02 -0.02 -0.05 0.02 0.06 -0.02 -0.06 0.01 0.02 0.05 0.08 0.09 -0.10 0.04 0.06 -0.01 0.00 0.00 0.01 0.02 0.00 0.00 -0.01 0.01 0.02 -0.00 0.02 0.02 0.07 -0.12 0.04 -0.02 0.02 0.01 0.00 -0.00 -0.01 0.03 -0.02 0.36 0.01 0.01 -0.05 -0.05 0.02 0.00 -0.07 0.04 0.26 -0.11 -0.11 -0.18 0.12 0.22 -0.05 0.18 -0.28 -0.01 -0.23 0.31 0.04 0.01 0.10 -0.05 -0.02 -0.00 0.02 -0.03 0.01 -0.04 -0.02 -0.13 -0.01 -0.00 -0.00 -0.03 0.04 -0.01 0.06 0.03 0.04 0.06 -0.01 0.01 -0.01 0.00 0.03 0.06 0.02 -0.06 0.00 -0.04 -0.02 -0.04 0.03 0.13 -0.00 0.02 0.00 0.06 -0.02 -0.07 0.03 0.02 -0.02 -0.01 0.00 0.00 -0.01 -0.01 0.05 0.05 -0.02 -0.02 -0.03 0.07 0.00 -0.11 0.08 -0.15 0.06 0.01 -0.02 -0.03 -0.00 -0.07 -0.02 -0.00 -0.03 -0.09 -0.13 -0.02 -0.03 0.08 -0.03 -0.06 -0.04 0.02 -0.07 0.12 -0.06 0.01 0.02 -0.00 -0.04 0.01 -0.04 0.06 0.02 -0.01 0.05 -0.01 -0.06 0.06 -0.20 -0.02 -0.03 0.01 0.01 -0.01 -0.02 -0.01 -0.01 -0.05 -0.05 0.00 -0.02 0.00 0.02 -0.03 0.01 0.08 0.04 0.06 -0.06 0.02 0.02 0.00 0.00 -0.01 0.01 0.03 -0.04 0.11 -0.17 0.45 -0.06 -0.03 0.04 -0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.02 0.01 0.03 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 0.12 -0.02 -0.00 0.00 0.01 0.28 0.09 -0.01 -0.01 -0.00 0.32 -0.06 -0.16 -0.00 -0.00 -0.00 -0.01 0.07 -0.02 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.02 0.00 -0.02 -0.00 -0.02 0.01 0.01 -0.00 -0.12 0.44 0.49 -0.12 -0.19 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.02 0.01 0.02 -0.03 0.05 -0.01 -0.08 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.02 -0.11 -0.03 -0.14 0.15 0.09 -0.08 0.01 0.01 0.00 0.02 0.00 0.01 -0.06 -0.09 0.01 -0.00 0.00 0.00 0.00 -0.02 -0.03 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.00 0.02 -0.02 0.00 -0.01 0.01 -0.19 0.18 -0.05 0.01 0.00 0.00 0.02 -0.20 -0.22 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.03 -0.03 0.00 0.01 -0.01 0.50 0.14 -0.00 -0.01 -0.02 0.54 -0.10 -0.31 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.04 0.01 0.03 -0.02 -0.05 0.02 0.01 -0.01 -0.01 0.00 0.08 -0.27 -0.30 0.07 0.12 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.02 -0.01 -0.01 -0.04 -0.00 -0.01 -0.07 0.05 0.00 -0.05 -0.02 -0.00 0.00 0.00 -0.00 0.01 0.02 0.02 -0.00 -0.00 0.01 0.01 0.02 0.08 -0.02 0.02 -0.08 0.02 0.03 0.01 0.01 -0.00 0.05 -0.01 0.03 -0.13 -0.16 0.02 0.00 -0.00 -0.00 -0.02 0.00 0.05 -0.02 0.03 -0.03 0.00 -0.01 0.00 0.01 -0.01 0.03 -0.00 0.04 -0.04 -0.00 0.00 -0.01 0.12 -0.10 0.02 0.00 -0.00 -0.00 -0.01 0.11 0.13 -0.02 -0.01 0.02 0.03 -0.00 -0.01 -0.00 -0.02 0.01 -0.03 0.01 -0.01 0.01 0.02 -0.01 0.10 -0.04 0.09 -0.16 0.06 -0.11 0.00 0.00 0.01 -0.15 0.06 -0.05 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.11 0.11 -0.06 -0.02 0.00 0.00 0.00 -0.01 0.00 0.01 0.17 -0.06 -0.01 -0.01 -0.00 0.17 0.20 0.01 0.00 -0.00 -0.00 -0.05 0.08 0.15 0.03 -0.14 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.02 0.00 -0.00 -0.01 -0.00 0.07 0.03 0.08 0.02 0.06 0.04 -0.00 0.00 -0.00 0.01 -0.00 0.02 0.01 -0.01 -0.02 0.00 -0.00 0.00 -0.02 -0.06 0.06 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.01 0.02 0.02 -0.01 -0.02 0.01 -0.02 0.01 0.01 0.05 0.16 0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.01 0.01 0.01 0.02 0.00 -0.39 -0.42 -0.14 0.48 -0.14 -0.16 0.00 0.00 -0.00 0.02 0.03 -0.04 0.05 -0.00 -0.05 -0.13 -0.06 0.11 -0.02 -0.01 0.01 0.01 0.02 0.00 -0.00 -0.02 0.01 -0.00 0.00 0.00 0.01 0.00 -0.03 0.20 -0.07 0.19 0.23 -0.08 0.15 0.00 -0.00 0.01 -0.30 0.12 -0.07 -0.00 -0.00 -0.00 -0.02 0.01 -0.02 0.23 0.23 -0.12 0.02 -0.00 0.01 -0.00 -0.01 0.00 0.02 0.34 -0.15 0.01 0.01 0.01 -0.20 -0.30 -0.08 -0.00 -0.01 0.00 -0.05 -0.08 -0.14 -0.02 0.18 -0.01 -0.01 -0.01 0.00 -0.01 -0.03 0.01 0.03 0.04 0.00 -0.01 0.02 -0.00 -0.10 -0.03 -0.13 0.04 -0.04 -0.03 -0.00 -0.00 -0.00 0.01 -0.01 0.03 0.02 -0.00 -0.03 -0.01 -0.01 0.00 0.03 0.09 -0.12 -0.02 -0.03 0.04 0.00 0.00 -0.01 0.01 0.03 0.03 -0.03 -0.03 0.01 0.00 0.00 0.01 0.02 -0.04 0.03 -0.02 0.04 0.04 0.00 0.00 -0.00 0.03 0.04 -0.01 0.03 -0.01 0.03 -0.00 -0.00 0.00 0.05 0.02 0.08 -0.08 0.03 0.02 0.01 0.00 -0.01 0.05 0.05 -0.09 -0.05 -0.01 -0.05 -0.27 -0.12 0.24 0.01 -0.02 0.00 0.00 0.02 0.02 -0.02 -0.01 0.01 0.02 0.00 -0.01 -0.02 -0.01 -0.03 0.13 -0.04 0.13 -0.28 0.10 -0.16 -0.00 -0.00 0.01 -0.15 0.06 -0.03 0.00 0.00 0.00 0.03 -0.02 0.03 0.12 0.11 -0.09 -0.05 0.01 -0.01 -0.00 -0.01 0.00 0.05 0.16 -0.12 -0.01 -0.02 -0.01 0.26 0.34 0.05 -0.00 0.01 -0.00 0.12 0.08 0.15 0.02 -0.23 0.01 -0.00 -0.00 0.00 -0.01 -0.02 0.01 0.02 0.02 0.00 0.01 -0.02 0.01 0.13 0.07 0.15 -0.06 -0.00 0.01 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.02 0.01 0.03 0.01 0.00 -0.00 -0.03 -0.07 0.11 0.01 -0.01 0.01 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.02 -0.01 0.00 -0.01 -0.01 -0.11 -0.01 -0.08 0.08 -0.07 -0.09 0.00 -0.00 -0.00 -0.03 -0.03 0.05 -0.03 0.05 -0.03 -0.00 -0.01 -0.01 0.26 0.31 0.05 -0.31 0.08 0.11 0.00 0.00 -0.00 0.03 0.04 -0.06 0.02 -0.02 -0.05 -0.16 -0.08 0.14 0.10 -0.00 0.04 0.04 -0.02 0.15 -0.09 0.04 -0.05 0.10 -0.06 -0.11 -0.15 0.06 -0.02 0.04 0.02 0.08 0.16 -0.06 0.03 0.00 0.00 0.00 0.04 -0.03 -0.11 -0.01 0.00 -0.00 0.03 0.08 0.06 -0.02 0.00 0.06 0.12 -0.02 -0.02 -0.01 0.00 0.00 0.12 -0.08 -0.12 0.01 0.01 0.01 -0.13 -0.18 -0.04 0.00 -0.00 -0.00 -0.06 -0.03 -0.05 -0.02 0.10 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.04 0.05 -0.01 -0.02 -0.01 0.00 -0.02 0.13 -0.16 0.41 -0.37 0.22 0.05 0.01 -0.01 0.01 -0.08 -0.04 -0.09 -0.04 0.10 0.09 -0.00 -0.01 0.00 0.04 0.09 -0.13 -0.02 -0.02 0.03 -0.00 0.00 -0.00 0.03 0.01 0.02 0.01 -0.04 0.01 0.00 0.00 -0.00 -0.01 0.03 -0.01 0.00 -0.02 -0.01 0.00 0.00 0.00 0.02 0.02 -0.02 0.02 -0.01 0.02 0.01 0.00 0.01 -0.08 0.09 -0.38 0.21 -0.11 -0.01 -0.00 -0.00 -0.00 0.01 0.02 -0.04 -0.14 0.03 -0.06 -0.03 -0.02 0.01 0.00 0.02 -0.03 -0.06 -0.01 -0.01 0.03 0.06 -0.02 0.04 -0.03 0.03 -0.02 -0.04 0.04 0.07 -0.05 0.03 -0.11 0.04 -0.00 0.01 -0.00 -0.00 0.09 -0.09 -0.35 -0.00 -0.00 0.00 -0.03 0.03 -0.03 -0.07 0.06 0.38 0.03 -0.01 -0.00 0.01 -0.01 -0.00 -0.12 0.32 0.03 -0.00 -0.01 0.01 0.08 0.11 0.02 -0.00 0.00 0.00 -0.11 -0.03 -0.08 0.11 0.09 -0.07 -0.01 0.01 -0.00 -0.01 -0.01 0.05 0.04 -0.06 -0.04 0.01 -0.01 -0.00 0.06 0.03 0.05 -0.03 -0.01 -0.01 -0.01 -0.01 -0.02 0.10 0.04 0.07 0.03 -0.10 -0.07 -0.00 0.00 -0.01 -0.02 -0.21 -0.16 -0.22 0.10 -0.00 0.01 0.01 -0.00 -0.05 0.15 0.14 0.09 -0.23 0.07 0.01 0.00 -0.01 0.05 -0.06 0.03 -0.04 0.03 0.04 -0.01 0.00 0.01 0.10 -0.01 -0.26 0.14 -0.11 0.16 0.00 -0.00 0.00 0.00 0.01 -0.02 0.01 0.01 -0.02 -0.01 -0.01 -0.00 0.09 -0.06 -0.01 0.02 -0.00 0.11 -0.05 0.07 0.13 0.01 -0.01 -0.07 -0.10 0.03 -0.02 0.02 0.10 0.01 0.09 -0.04 0.03 -0.04 -0.11 0.05 0.15 -0.04 0.16 0.08 -0.03 -0.04 0.00 0.01 0.00 0.10 -0.01 0.24 0.01 -0.00 -0.01 0.01 -0.07 -0.01 -0.06 -0.15 -0.20 -0.07 0.01 0.05 -0.00 -0.01 -0.00 0.01 0.30 -0.12 0.01 0.01 -0.01 -0.07 -0.05 0.05 0.00 -0.00 0.00 0.15 -0.01 0.01 -0.13 -0.04 0.08 0.01 -0.00 0.00 -0.01 -0.03 -0.07 -0.07 0.03 0.04 0.01 -0.01 -0.00 -0.03 -0.08 0.01 0.00 0.07 0.04 -0.00 0.02 0.00 -0.00 -0.02 0.07 -0.05 -0.11 0.04 -0.01 0.01 -0.01 -0.01 0.13 0.17 0.19 -0.04 -0.05 -0.00 -0.01 0.01 -0.02 -0.17 -0.20 -0.05 0.29 -0.09 -0.01 0.01 -0.00 -0.02 -0.09 0.01 -0.01 0.05 0.02 0.01 -0.01 -0.01 -0.12 -0.01 0.28 -0.15 0.12 -0.17 0.01 0.01 0.00 -0.13 -0.11 -0.11 0.17 -0.09 -0.02 -0.01 -0.00 -0.00 0.03 0.03 -0.06 -0.01 -0.05 0.14 -0.07 -0.04 0.04 0.02 0.16 0.03 0.03 -0.17 -0.02 0.12 0.06 -0.19 -0.16 -0.13 0.02 0.01 0.14 0.25 0.12 -0.02 0.13 -0.00 0.00 -0.05 0.01 0.01 0.01 -0.16 0.09 0.01 -0.00 0.00 -0.00 0.02 -0.02 0.02 0.14 0.12 -0.16 -0.02 0.01 0.00 -0.01 0.01 0.00 0.16 -0.09 -0.17 -0.00 0.00 -0.00 0.02 0.03 0.02 -0.00 0.00 -0.00 0.13 0.01 0.03 -0.09 -0.07 0.06 -0.01 0.00 0.00 -0.02 -0.06 0.04 0.06 -0.03 -0.03 -0.00 0.01 0.01 -0.06 -0.09 -0.02 -0.03 0.03 0.02 -0.01 0.00 -0.01 -0.13 -0.05 -0.10 -0.10 0.07 0.10 -0.00 -0.01 -0.01 -0.01 -0.01 0.03 0.03 0.04 -0.08 0.00 0.01 -0.01 0.02 -0.09 -0.11 -0.01 0.15 -0.05 0.02 -0.01 -0.03 0.01 -0.04 -0.03 0.01 -0.01 -0.02 0.01 -0.00 0.00 -0.09 -0.06 0.13 -0.09 0.08 -0.10 -0.01 -0.00 0.00 0.07 0.13 -0.04 -0.09 0.02 0.04 0.01 -0.00 -0.01 0.11 0.00 -0.08 0.04 0.21 0.34 -0.24 -0.05 0.28 -0.01 -0.02 -0.02 -0.02 0.02 -0.07 0.03 -0.00 0.03 -0.04 0.03 0.05 0.04 -0.05 0.00 -0.09 -0.01 -0.12 0.06 -0.02 -0.04 -0.01 -0.01 -0.00 -0.18 0.08 0.06 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.13 0.11 -0.12 0.04 -0.01 0.01 -0.01 0.01 -0.00 0.02 -0.27 0.06 0.00 -0.00 0.01 -0.04 -0.04 0.02 -0.00 -0.00 0.00 -0.05 -0.03 -0.06 0.03 0.07 -0.03 -0.00 0.01 -0.00 -0.01 -0.05 0.03 0.03 -0.05 -0.03 0.00 -0.00 -0.02 0.18 -0.17 0.48 -0.44 0.22 0.04 -0.00 0.00 0.00 0.01 0.02 -0.02 -0.01 -0.04 0.01 -0.00 0.00 0.00 0.01 0.02 -0.06 -0.03 -0.00 0.02 0.00 -0.00 -0.00 -0.04 0.01 -0.01 -0.02 0.02 -0.00 -0.00 0.00 -0.00 0.03 -0.03 0.03 -0.03 0.02 0.03 -0.00 -0.00 -0.00 0.04 0.05 -0.03 0.04 -0.03 0.04 0.01 -0.00 0.01 0.03 0.21 -0.33 0.06 -0.06 0.03 0.01 0.00 -0.00 0.05 -0.06 0.03 0.03 -0.03 0.03 -0.06 0.04 0.14 0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.01 0.01 0.00 0.03 -0.00 -0.00 -0.01 -0.01 -0.01 -0.08 -0.02 -0.12 -0.02 0.01 0.02 -0.00 -0.00 -0.00 -0.03 0.01 -0.00 -0.00 0.00 -0.00 0.05 -0.00 0.05 0.02 0.03 0.01 0.01 -0.00 -0.00 -0.01 0.02 -0.00 0.07 -0.36 0.03 -0.00 0.00 -0.00 0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 0.01 0.02 0.01 -0.01 -0.01 -0.02 0.03 -0.00 -0.07 -0.21 0.16 0.17 -0.22 -0.15 -0.00 -0.00 0.00 -0.06 0.07 -0.18 0.18 -0.08 -0.01 0.01 -0.00 0.01 -0.02 0.02 -0.08 -0.05 -0.00 0.08 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.02 0.02 0.00 0.00 -0.01 -0.10 -0.02 -0.10 0.01 0.12 -0.05 0.00 0.00 0.01 -0.04 0.02 -0.03 0.04 -0.02 -0.03 -0.00 -0.00 -0.00 0.04 0.07 0.03 0.02 -0.01 0.02 -0.00 0.00 -0.00 -0.04 -0.11 0.10 0.02 -0.00 -0.01 0.01 -0.01 -0.01 0.33 -0.23 0.01 0.00 -0.02 -0.01 -0.15 0.24 0.49 -0.02 0.01 0.03 0.04 -0.00 -0.00 -0.00 -0.05 0.01 -0.05 0.02 -0.01 0.02 0.03 -0.02 0.08 -0.05 0.05 0.11 -0.03 -0.02 0.01 0.01 0.00 0.32 -0.15 -0.11 0.00 -0.00 0.00 -0.01 -0.02 -0.02 -0.23 -0.22 0.18 -0.04 0.01 0.01 0.02 -0.01 0.00 -0.15 0.43 0.05 0.00 0.01 0.00 -0.08 -0.09 -0.02 0.00 -0.00 -0.00 0.07 0.04 0.09 -0.09 -0.10 0.06 -0.01 0.02 -0.00 -0.04 -0.13 0.07 0.07 -0.13 -0.08 -0.00 0.00 -0.00 -0.01 -0.13 0.12 -0.15 0.09 0.02 -0.00 0.00 -0.00 0.09 0.02 0.12 0.05 -0.08 -0.07 -0.01 -0.00 -0.00 -0.00 0.08 0.04 0.08 -0.03 -0.01 -0.00 0.00 -0.00 -0.08 -0.05 -0.11 0.03 0.13 -0.05 -0.01 -0.00 -0.00 -0.01 0.07 -0.02 0.02 -0.03 -0.04 0.01 -0.00 0.00 -0.05 0.01 0.14 -0.07 0.06 -0.08 0.00 -0.00 0.00 0.05 0.11 -0.09 -0.03 -0.01 0.03 -0.02 -0.01 -0.01 0.22 -0.15 -0.02 0.01 0.01 -0.06 0.04 0.22 0.17 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.02 0.00 -0.02 0.01 -0.00 0.01 0.02 -0.01 0.13 0.04 0.22 -0.16 0.04 0.02 0.00 0.01 -0.02 0.19 -0.03 0.29 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.16 -0.19 -0.01 0.03 -0.01 0.04 -0.01 -0.00 0.00 0.18 0.03 -0.24 -0.00 -0.02 -0.00 0.07 0.14 0.10 -0.00 -0.00 0.01 -0.17 -0.13 -0.28 0.15 0.30 -0.11 0.00 0.00 0.00 -0.02 -0.08 -0.07 -0.06 0.03 0.03 -0.00 -0.01 -0.00 0.13 0.14 0.09 -0.03 -0.05 -0.03 0.01 0.01 0.01 -0.10 -0.08 -0.02 -0.04 0.05 0.07 0.01 0.01 0.00 -0.01 -0.05 0.02 -0.02 -0.01 0.04 -0.01 -0.01 0.01 -0.03 -0.10 -0.12 -0.02 0.19 -0.05 0.00 -0.00 0.00 0.08 -0.08 0.07 -0.06 0.11 0.10 -0.01 -0.00 -0.01 0.15 0.18 -0.06 0.13 -0.09 0.15 0.00 0.00 -0.00 0.01 -0.01 0.04 -0.01 0.03 -0.02 -0.01 -0.00 -0.00 0.12 0.03 -0.12 -0.02 0.02 -0.02 -0.02 0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.03 0.00 -0.01 0.02 -0.01 0.02 0.02 0.03 -0.02 -0.00 0.12 0.06 0.23 0.11 -0.03 0.01 0.01 -0.00 -0.02 0.11 -0.04 0.04 -0.00 0.00 0.00 0.07 -0.01 0.08 -0.13 -0.03 0.34 -0.00 0.00 -0.01 -0.02 0.01 0.00 0.28 -0.16 -0.30 -0.00 0.02 0.01 -0.04 -0.12 -0.11 0.00 -0.00 -0.01 0.02 0.10 0.19 -0.01 -0.18 0.02 -0.00 -0.01 0.00 0.02 0.07 -0.02 -0.04 0.05 0.03 0.00 0.00 -0.00 -0.08 -0.11 -0.04 0.01 0.05 0.03 0.01 0.00 0.01 -0.19 -0.10 -0.13 -0.09 0.12 0.13 -0.00 -0.00 0.01 0.01 -0.11 -0.23 -0.19 0.09 -0.01 -0.01 0.01 0.01 0.08 -0.07 -0.03 0.13 -0.01 -0.01 -0.00 0.00 0.00 -0.13 0.10 -0.10 0.12 -0.09 -0.13 0.01 0.01 0.01 -0.09 -0.20 -0.11 -0.01 0.06 -0.00 -0.00 0.00 0.00 -0.02 0.00 -0.05 0.02 -0.06 0.05 -0.00 -0.00 -0.00 0.04 0.07 -0.11 -0.00 -0.02 0.00 -0.07 -0.07 0.02 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.02 0.01 -0.02 -0.00 0.08 -0.03 -0.07 -0.00 0.00 0.00 0.01 0.01 0.10 -0.01 -0.00 0.00 0.09 0.02 0.12 0.01 -0.06 -0.20 0.05 -0.01 -0.00 0.00 -0.01 0.00 -0.06 0.11 0.04 -0.01 0.01 0.01 -0.01 -0.04 -0.05 0.00 -0.00 -0.01 -0.27 0.10 0.16 0.13 -0.05 -0.07 0.01 0.00 0.00 -0.02 -0.07 -0.07 -0.06 0.03 0.03 0.00 -0.00 -0.00 -0.14 -0.14 -0.12 0.11 0.11 0.08 -0.00 -0.00 -0.01 0.04 0.05 -0.03 -0.06 -0.09 0.05 0.00 0.00 -0.00 -0.01 0.03 0.08 0.05 -0.03 0.01 0.00 -0.01 0.01 -0.12 0.05 0.02 -0.08 0.02 0.01 0.01 0.00 0.00 -0.20 0.20 -0.17 0.25 -0.09 -0.22 -0.02 -0.00 -0.00 0.25 0.29 -0.13 0.16 -0.26 0.15 -0.01 0.00 -0.00 0.01 0.08 -0.11 -0.03 -0.15 0.17 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.08 -0.02 0.02 0.05 0.00 -0.08 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.02 -0.00 -0.02 -0.02 0.04 -0.01 0.22 -0.00 -0.00 -0.00 -0.01 0.02 0.14 0.01 0.01 0.00 0.00 -0.05 -0.02 0.00 -0.03 -0.08 -0.11 0.03 -0.02 0.00 -0.00 -0.00 -0.03 0.04 0.03 0.00 0.02 -0.00 -0.06 -0.17 -0.15 -0.00 -0.00 -0.01 -0.09 0.16 0.29 0.13 -0.26 -0.05 0.00 0.00 -0.00 -0.01 -0.03 -0.04 -0.04 0.01 0.02 -0.01 0.01 0.00 0.19 0.20 0.17 -0.25 -0.25 -0.18 -0.00 0.00 0.00 0.03 0.02 0.02 -0.01 -0.05 0.00 -0.00 0.00 0.01 0.03 0.04 -0.16 -0.07 0.01 0.03 0.00 -0.01 0.01 -0.05 -0.03 -0.06 -0.01 0.09 -0.03 0.01 -0.01 -0.00 0.09 0.15 0.02 -0.07 -0.15 -0.02 -0.00 -0.00 -0.00 0.07 0.08 -0.04 0.07 -0.03 0.09 0.01 -0.01 -0.00 0.05 -0.08 0.23 -0.01 0.29 -0.29 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.02 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 0.00 -0.02 0.00 0.00 0.01 0.00 0.00 0.02 0.01 -0.01 0.01 0.03 0.12 0.18 0.04 -0.01 0.01 0.00 0.01 0.02 0.11 -0.09 -0.32 0.00 0.00 0.01 -0.03 0.01 -0.04 -0.03 -0.06 -0.07 -0.01 0.00 -0.03 -0.01 -0.00 0.00 0.20 -0.13 -0.21 0.00 0.00 -0.01 -0.08 -0.03 0.06 0.00 0.01 -0.00 -0.01 0.05 0.08 -0.11 -0.04 0.06 -0.01 0.00 0.01 -0.04 -0.13 0.05 0.11 -0.02 -0.04 -0.00 0.00 0.00 0.04 0.03 0.04 -0.07 -0.06 -0.04 0.01 -0.00 -0.00 -0.10 -0.05 -0.09 0.01 0.12 0.01 -0.00 -0.01 -0.01 -0.03 0.15 0.33 0.27 -0.08 -0.07 -0.00 0.01 -0.02 0.05 0.20 0.25 -0.15 -0.28 0.11 0.00 -0.00 -0.00 0.06 0.02 0.03 -0.07 -0.06 0.03 -0.01 -0.00 0.01 0.09 0.17 0.06 -0.03 -0.18 -0.09 0.00 -0.00 0.00 0.02 -0.01 0.05 0.00 0.10 -0.11 -0.01 -0.01 0.00 0.11 0.05 -0.14 0.05 -0.03 -0.01 0.06 0.01 -0.08 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.05 -0.03 -0.02 0.01 0.18 -0.00 0.00 0.01 0.01 -0.03 -0.14 -0.01 -0.00 -0.00 0.15 0.00 0.18 0.01 0.01 -0.03 0.04 -0.01 0.01 0.00 -0.00 0.00 -0.04 0.05 0.04 0.02 0.00 -0.02 -0.13 -0.05 0.14 0.01 -0.01 0.00 -0.06 -0.08 -0.15 -0.17 0.26 0.07 0.00 -0.00 -0.00 0.02 0.08 0.01 -0.02 -0.00 0.00 -0.02 -0.01 -0.01 0.24 0.25 0.19 -0.10 -0.12 -0.09 -0.00 -0.00 -0.01 -0.01 0.04 -0.09 -0.11 -0.06 0.11 -0.00 0.00 0.00 -0.05 -0.12 0.16 0.03 0.08 -0.10 0.00 0.00 0.00 -0.01 -0.03 -0.04 0.06 0.02 -0.01 -0.00 -0.00 0.02 -0.26 0.12 -0.17 0.28 -0.05 -0.20 0.00 0.01 0.00 -0.10 -0.16 -0.04 -0.08 -0.05 -0.12 0.01 0.01 -0.01 -0.04 -0.14 0.15 -0.00 -0.05 0.06 0.00 0.00 -0.00 -0.07 -0.02 0.06 0.24 -0.02 0.01 -0.02 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.18 0.33 0.12 -0.02 0.01 0.04 -0.01 -0.02 0.01 -0.16 0.04 -0.08 -0.00 -0.00 0.00 0.01 0.01 0.02 0.14 0.11 -0.13 0.02 -0.01 0.01 0.01 -0.02 -0.00 -0.02 0.11 -0.01 0.00 -0.00 0.01 0.03 -0.02 -0.05 -0.01 -0.00 0.00 0.11 -0.05 -0.07 0.09 -0.01 -0.05 -0.00 0.01 0.01 -0.08 -0.27 -0.04 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 0.07 0.08 0.04 0.02 0.01 0.00 0.00 0.00 -0.01 -0.07 -0.09 0.05 -0.00 0.02 0.00 0.00 0.00 0.01 0.03 -0.01 -0.18 -0.13 -0.01 0.08 0.00 0.01 -0.00 0.02 0.01 -0.00 -0.05 0.01 0.01 -0.00 0.00 0.01 -0.12 -0.04 -0.06 0.10 0.03 -0.06 0.01 -0.01 -0.01 -0.07 -0.07 0.07 -0.00 0.22 0.06 0.01 0.01 -0.01 -0.03 -0.07 0.04 -0.00 -0.09 0.10 -0.03 -0.01 0.02 0.35 -0.01 -0.23 0.00 -0.00 0.00 0.35 0.20 -0.28 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.01 0.01 0.01 0.02 -0.01 0.01 0.02 -0.07 -0.04 -0.02 0.00 0.03 0.01 -0.00 0.01 0.07 -0.07 -0.30 -0.01 -0.00 0.00 0.05 0.01 0.06 -0.03 0.02 0.21 0.03 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.05 0.02 -0.00 -0.00 0.01 0.04 -0.01 -0.08 -0.01 -0.00 0.00 0.10 -0.05 -0.07 0.18 -0.05 -0.10 0.01 -0.00 -0.00 0.02 0.05 0.00 0.01 0.03 0.01 -0.01 -0.00 -0.00 0.08 0.09 0.07 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.03 -0.08 -0.02 0.06 0.03 -0.01 0.00 -0.02 0.03 0.18 -0.10 0.02 -0.22 0.22 -0.01 -0.01 -0.01 0.00 -0.03 -0.03 -0.08 0.04 -0.01 -0.00 0.01 0.01 -0.13 -0.05 -0.06 0.10 0.01 -0.07 0.00 -0.03 -0.02 0.10 0.36 0.39 0.05 0.31 0.17 0.01 0.01 -0.01 -0.04 -0.09 0.07 -0.00 -0.07 0.08 0.01 0.00 -0.01 -0.22 0.06 0.09 -0.10 -0.02 -0.02 -0.11 -0.13 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.02 -0.00 0.01 0.05 -0.10 -0.04 -0.03 0.00 -0.08 0.01 0.00 -0.03 0.00 0.07 0.39 -0.01 -0.00 0.00 0.02 0.02 0.03 -0.06 -0.04 0.08 0.03 -0.01 -0.02 -0.00 0.00 0.00 -0.03 0.04 0.03 0.00 -0.01 0.01 0.08 0.05 -0.02 -0.00 0.01 -0.01 0.21 -0.01 -0.02 -0.26 -0.02 0.13 -0.00 0.00 0.00 -0.02 -0.07 -0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.09 0.03 0.15 -0.04 0.06 0.03 -0.00 -0.01 -0.01 0.06 0.07 -0.05 0.03 0.04 -0.03 -0.01 -0.01 0.01 0.08 0.25 -0.24 0.04 -0.02 -0.00 0.00 -0.00 -0.01 -0.04 0.18 0.19 -0.05 -0.20 0.07 -0.00 0.01 0.00 -0.15 -0.14 -0.06 0.08 0.02 -0.05 0.00 0.00 0.01 0.07 0.05 -0.08 -0.01 -0.19 -0.07 0.01 0.01 -0.02 -0.04 -0.21 0.25 -0.05 -0.08 0.11 -0.00 0.00 0.00 0.05 -0.00 -0.03 -0.32 0.04 0.02 -0.02 0.01 0.03 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.09 -0.11 0.00 0.07 -0.02 -0.08 -0.01 0.02 0.01 0.13 -0.05 0.02 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.03 -0.16 -0.34 0.03 -0.01 -0.00 0.00 0.00 0.01 0.02 0.06 -0.03 -0.01 0.01 0.01 0.01 -0.02 -0.06 -0.01 0.00 0.02 0.02 -0.04 -0.07 0.43 -0.08 -0.22 -0.01 0.00 0.00 0.02 0.08 0.09 0.09 -0.07 -0.05 0.00 0.01 -0.00 -0.08 -0.23 0.10 -0.11 0.12 0.04 -0.00 -0.01 -0.00 -0.04 0.01 -0.09 -0.02 0.10 0.03 0.01 0.00 0.01 -0.01 -0.03 0.06 0.02 0.06 -0.06 0.01 0.00 -0.01 0.12 0.06 0.13 -0.13 -0.10 0.05 0.00 0.00 0.00 -0.04 -0.09 -0.01 0.02 0.06 0.01 -0.01 0.00 -0.00 -0.13 -0.24 -0.11 0.00 0.18 0.07 0.01 0.00 -0.02 -0.01 -0.19 0.30 -0.07 0.01 0.03 -0.00 -0.00 -0.01 -0.06 -0.09 0.13 0.07 0.00 0.01 0.00 0.08 0.07 -0.01 0.01 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 -0.09 0.11 -0.00 0.08 -0.03 -0.23 0.00 -0.01 0.01 -0.09 0.01 -0.13 0.00 0.00 -0.00 0.03 -0.03 0.03 0.05 0.12 0.18 -0.04 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.05 0.03 -0.01 0.00 0.00 0.01 0.07 0.08 0.00 0.00 -0.00 0.04 -0.02 -0.05 -0.15 0.07 0.07 0.01 -0.00 -0.00 -0.01 -0.04 -0.07 -0.07 0.05 0.04 0.02 0.02 0.00 -0.19 -0.42 0.09 -0.20 0.15 0.04 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.04 -0.06 0.04 0.00 0.00 -0.01 -0.04 -0.13 0.09 -0.05 -0.01 0.02 -0.01 -0.00 0.01 -0.09 -0.10 -0.16 0.11 0.15 -0.06 0.00 -0.00 0.01 0.01 0.00 0.01 -0.02 -0.03 0.01 -0.00 -0.00 -0.00 0.10 0.15 0.02 0.04 -0.10 0.02 0.01 -0.01 -0.03 0.02 -0.24 0.44 -0.09 0.17 -0.13 0.00 0.00 0.01 0.03 0.06 -0.07 0.08 0.00 -0.01 0.01 -0.05 -0.06 -0.00 -0.00 0.00 -0.01 0.00 -0.02 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.02 -0.07 0.16 0.07 -0.04 0.00 -0.07 -0.01 -0.01 0.01 -0.10 0.02 -0.11 0.00 -0.00 0.00 -0.07 0.01 -0.07 0.07 0.08 0.01 0.00 -0.00 0.01 0.01 -0.01 0.01 -0.01 0.14 -0.02 -0.00 -0.01 0.01 0.07 0.06 -0.02 0.01 -0.00 0.00 -0.26 0.05 0.07 -0.01 0.07 0.00 -0.01 -0.00 -0.01 0.09 0.31 0.13 0.04 -0.07 -0.05 -0.00 -0.00 0.00 0.04 0.04 0.04 0.02 0.02 0.02 0.00 0.00 0.00 -0.20 -0.20 0.03 0.03 0.23 -0.01 -0.01 -0.01 0.00 0.06 0.28 -0.08 0.14 -0.06 -0.02 -0.02 -0.00 0.01 0.22 -0.22 -0.13 0.17 0.08 -0.05 0.01 -0.00 -0.00 -0.00 0.04 -0.02 0.03 0.01 -0.02 -0.00 0.02 0.00 0.02 0.01 -0.06 -0.00 -0.20 -0.08 0.00 0.00 -0.01 0.01 -0.02 0.07 -0.03 -0.02 0.04 -0.00 -0.01 -0.02 -0.07 -0.20 0.24 -0.21 0.01 0.00 0.13 0.20 0.02 0.00 0.00 -0.00 0.01 -0.00 0.02 0.00 0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.07 0.10 0.01 0.05 -0.01 0.06 0.00 0.01 0.01 0.06 -0.04 -0.12 0.00 -0.01 0.01 -0.23 0.06 -0.23 -0.03 -0.04 -0.01 0.03 -0.01 0.01 -0.01 0.01 -0.01 0.07 -0.20 -0.03 0.00 0.01 0.00 -0.06 -0.09 -0.05 -0.01 0.01 0.00 -0.01 0.05 0.09 0.13 -0.14 -0.05 0.00 -0.01 0.00 0.01 0.02 -0.03 -0.03 0.04 0.03 -0.02 -0.01 -0.01 0.13 0.11 0.13 0.06 0.09 0.06 0.00 0.01 0.01 0.10 -0.10 0.36 0.21 -0.16 -0.26 -0.00 -0.00 0.00 -0.01 0.01 0.06 0.06 0.06 -0.09 -0.00 -0.00 0.01 -0.00 -0.07 -0.08 0.05 0.09 -0.03 0.00 -0.00 -0.01 -0.05 -0.09 -0.03 0.07 0.17 0.01 -0.00 0.01 0.00 0.01 -0.02 -0.09 -0.00 -0.14 -0.04 0.01 0.01 -0.02 -0.02 -0.12 0.17 -0.09 -0.21 0.27 0.01 -0.00 0.00 0.03 0.12 -0.13 0.06 -0.00 0.00 -0.15 -0.15 0.08 0.00 -0.01 -0.01 0.02 -0.00 0.02 0.01 0.03 -0.02 -0.02 0.00 0.00 -0.01 -0.02 -0.00 -0.03 0.03 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.03 -0.12 0.11 0.33 -0.00 -0.00 0.00 -0.02 0.01 -0.01 -0.02 0.12 0.35 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.03 -0.01 0.00 -0.00 -0.02 0.01 0.03 0.01 -0.01 0.01 -0.29 -0.00 -0.01 0.25 0.10 -0.14 -0.01 -0.01 -0.00 0.02 0.06 0.01 -0.02 0.02 0.01 0.00 0.00 0.00 -0.03 -0.05 -0.00 -0.06 -0.03 -0.03 -0.00 0.00 -0.00 0.05 0.01 0.08 0.04 -0.05 -0.06 -0.00 -0.01 -0.02 -0.04 0.10 0.32 0.23 -0.14 0.01 -0.01 0.01 -0.01 0.01 0.07 0.09 0.25 -0.23 0.03 0.00 -0.00 0.01 -0.03 0.14 -0.04 0.08 -0.05 -0.07 -0.00 0.00 -0.01 -0.14 -0.10 0.14 -0.06 0.24 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.04 -0.00 0.05 -0.06 -0.00 0.00 0.01 0.16 0.03 -0.13 -0.06 -0.03 -0.02 -0.01 0.01 0.02 0.01 -0.00 -0.01 0.02 -0.00 0.03 0.01 0.02 -0.01 -0.03 0.01 0.01 -0.00 -0.02 -0.04 0.03 -0.01 0.04 0.06 -0.02 0.08 -0.00 -0.01 -0.00 -0.12 0.05 0.01 -0.01 -0.00 -0.02 0.16 -0.03 0.17 0.05 0.12 0.13 0.02 -0.00 0.03 0.00 -0.01 0.01 0.01 0.09 -0.04 -0.00 0.02 -0.00 -0.07 -0.11 -0.06 -0.02 0.02 0.01 0.32 -0.00 0.02 0.19 -0.27 -0.07 0.00 -0.00 -0.01 0.03 0.11 -0.00 -0.07 -0.00 0.02 -0.01 -0.00 -0.00 0.06 0.09 0.02 0.05 0.01 0.01 0.00 -0.00 0.00 -0.04 0.05 -0.18 -0.17 -0.05 0.20 -0.00 -0.01 -0.01 -0.03 0.02 0.22 0.14 -0.00 -0.08 -0.01 -0.00 0.01 -0.15 -0.01 -0.09 0.27 -0.02 -0.03 -0.01 0.00 -0.01 0.06 -0.28 0.09 -0.11 0.19 0.15 -0.01 0.00 0.01 0.10 0.08 -0.12 0.03 -0.18 0.00 0.00 0.01 -0.00 -0.03 -0.03 -0.03 0.01 -0.08 0.08 -0.01 0.00 -0.00 0.01 -0.10 0.09 0.08 -0.01 -0.01 0.13 0.12 -0.06 -0.01 0.01 0.01 -0.02 0.00 -0.03 -0.01 -0.03 0.02 0.03 -0.01 -0.01 0.02 0.03 0.01 -0.03 -0.07 -0.11 -0.04 0.00 -0.05 0.00 0.00 0.01 0.04 -0.05 -0.24 -0.01 -0.00 -0.01 0.17 -0.03 0.18 -0.01 -0.01 0.02 0.03 -0.01 0.03 0.01 0.00 -0.00 -0.10 -0.04 0.13 -0.01 -0.01 0.01 0.09 0.05 -0.06 0.01 -0.00 0.01 -0.25 0.03 0.05 0.19 0.01 -0.09 0.01 -0.00 0.00 -0.05 -0.19 -0.11 -0.07 0.08 0.06 -0.00 -0.00 0.00 0.03 0.04 0.01 0.03 0.02 0.02 -0.01 -0.01 0.00 0.04 0.14 -0.18 -0.12 -0.03 0.13 -0.01 -0.02 0.01 0.07 0.30 -0.14 0.17 0.05 -0.14 0.01 0.01 0.01 -0.12 -0.02 -0.09 0.08 0.08 -0.03 0.00 -0.01 -0.01 0.12 -0.01 0.07 -0.03 0.14 0.08 0.01 0.02 0.01 -0.13 -0.20 -0.03 -0.11 -0.10 -0.18 -0.00 -0.00 -0.00 0.02 0.02 0.01 -0.02 -0.00 0.01 -0.00 0.01 0.02 0.12 0.19 -0.25 -0.16 0.05 0.03 -0.09 -0.17 -0.03 -0.05 0.03 0.03 -0.08 0.02 -0.13 -0.05 -0.13 0.08 0.15 -0.06 -0.06 0.01 0.17 0.11 -0.03 0.01 -0.03 0.05 -0.01 0.16 0.00 -0.01 -0.03 -0.13 0.10 0.33 -0.00 -0.00 0.00 -0.08 0.03 -0.08 0.01 0.12 0.25 0.04 -0.01 -0.01 0.00 -0.00 -0.00 -0.04 0.02 0.04 0.01 0.02 -0.01 -0.14 -0.12 0.02 -0.01 0.00 -0.01 0.19 0.01 0.04 0.01 -0.15 0.01 -0.00 -0.00 -0.00 0.02 0.07 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.01 0.12 0.12 0.08 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.03 0.04 0.06 -0.05 0.01 0.00 -0.02 -0.09 -0.24 0.30 0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.02 0.02 0.04 0.18 -0.12 0.01 0.00 -0.00 -0.02 0.04 -0.04 0.01 -0.00 0.12 0.04 -0.01 -0.02 -0.00 0.10 0.20 0.09 0.06 0.08 0.12 0.00 0.01 -0.00 0.00 0.04 -0.07 -0.04 -0.18 0.22 -0.00 0.00 0.00 0.07 -0.03 -0.02 0.18 0.17 0.10 0.02 0.04 0.01 -0.00 0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.02 0.01 0.02 -0.01 -0.00 0.01 0.02 0.02 -0.01 0.05 0.05 -0.05 0.01 -0.01 -0.01 0.00 0.01 0.03 -0.03 -0.10 0.01 0.00 0.01 -0.01 -0.02 -0.02 0.00 -0.03 -0.10 -0.07 0.01 -0.01 -0.01 0.00 -0.00 0.08 -0.10 -0.08 -0.01 -0.01 0.00 0.08 0.06 -0.04 -0.03 0.01 0.01 0.39 -0.15 -0.26 0.16 0.02 -0.09 -0.00 -0.01 -0.00 0.04 0.13 0.01 -0.06 0.02 0.02 0.01 0.01 0.01 -0.09 -0.06 -0.11 -0.10 -0.14 -0.09 -0.00 0.01 -0.00 0.10 -0.01 0.18 0.07 -0.18 -0.10 -0.01 -0.01 0.00 0.05 0.24 -0.05 0.13 -0.03 -0.04 0.00 -0.00 0.01 -0.15 0.00 -0.07 0.22 -0.01 -0.02 -0.01 0.01 0.03 -0.21 0.02 -0.11 0.08 -0.26 -0.16 -0.01 0.01 0.01 0.03 -0.06 -0.18 0.03 -0.09 0.03 -0.00 -0.00 0.02 -0.03 0.05 -0.17 0.11 0.14 -0.20 -0.00 -0.00 -0.00 0.03 0.00 -0.03 -0.06 0.02 -0.00 -0.02 -0.00 0.03 0.00 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.02 -0.01 -0.19 0.14 -0.14 -0.00 0.01 0.07 0.01 0.01 -0.01 0.05 -0.00 0.07 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.06 -0.05 0.05 -0.01 0.00 -0.02 0.03 -0.01 -0.01 -0.27 0.12 0.30 -0.00 0.01 -0.00 -0.03 -0.02 -0.00 -0.01 0.01 0.00 0.18 -0.04 -0.06 0.09 -0.05 -0.05 -0.01 -0.01 0.01 0.00 0.01 0.02 0.06 0.04 -0.00 0.01 0.00 0.00 -0.04 -0.03 -0.05 -0.08 -0.08 -0.06 -0.00 -0.01 -0.00 -0.19 -0.13 -0.09 -0.00 0.34 0.04 0.00 0.00 -0.00 -0.03 -0.10 0.11 0.02 0.06 -0.07 -0.01 0.00 -0.00 0.35 -0.15 0.01 -0.11 0.04 0.00 -0.00 0.01 0.01 -0.11 -0.10 -0.04 0.01 -0.09 -0.04 -0.00 0.00 0.00 0.07 0.06 -0.07 0.04 -0.15 0.01 0.00 0.00 0.01 -0.03 0.02 -0.09 0.05 0.02 -0.05 0.01 -0.00 0.01 0.12 0.17 -0.24 -0.03 -0.01 0.00 -0.21 -0.18 0.12 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.02 -0.05 0.04 -0.01 -0.06 -0.01 0.01 0.01 0.10 -0.05 -0.07 0.00 0.00 -0.00 0.03 -0.01 0.03 -0.03 -0.12 -0.25 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.01 0.07 0.01 -0.00 -0.00 -0.03 -0.02 0.03 0.01 -0.01 -0.02 0.02 0.04 0.07 -0.27 0.01 0.13 -0.01 -0.01 -0.00 0.06 0.21 0.04 -0.03 0.04 0.02 -0.01 -0.01 -0.00 0.07 0.07 0.05 0.10 0.09 0.06 -0.00 -0.00 0.00 -0.00 0.04 -0.07 -0.03 0.03 0.04 0.01 0.00 -0.02 0.01 0.12 0.11 -0.03 -0.27 0.30 -0.00 -0.00 0.01 -0.00 -0.04 -0.04 0.28 -0.07 -0.02 0.00 -0.00 -0.01 0.08 0.03 0.04 -0.07 -0.01 0.04 -0.02 0.01 -0.00 0.01 -0.13 -0.28 0.17 0.24 0.33 -0.00 -0.00 -0.00 0.01 -0.01 0.04 -0.03 -0.02 0.04 -0.00 -0.00 0.01 0.18 0.08 -0.20 -0.00 -0.04 -0.05 -0.06 -0.05 0.05 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.28 0.51 0.15 -0.01 0.00 -0.02 0.00 0.01 -0.01 0.08 -0.01 0.09 -0.01 -0.00 -0.02 0.24 -0.04 0.26 -0.06 -0.08 -0.04 0.03 -0.01 0.07 0.01 -0.02 -0.01 -0.03 0.03 0.02 -0.00 -0.00 0.00 0.03 0.02 -0.01 0.00 0.00 -0.00 -0.02 0.02 0.03 -0.04 -0.03 0.03 -0.01 -0.01 -0.00 0.07 0.26 0.08 0.04 -0.00 -0.02 0.00 0.00 0.00 -0.02 -0.02 -0.02 -0.03 -0.04 -0.02 -0.00 0.02 -0.02 -0.02 -0.10 0.16 -0.11 -0.29 0.07 -0.00 0.00 0.00 0.02 0.03 -0.10 -0.02 0.01 0.01 0.01 -0.01 -0.01 -0.07 0.13 0.12 -0.14 -0.11 0.05 -0.01 -0.01 -0.00 0.09 0.02 0.05 0.07 0.25 0.06 0.00 -0.00 -0.00 -0.00 0.04 0.08 -0.02 0.04 -0.02 -0.00 -0.00 0.00 0.01 0.02 -0.00 0.01 0.04 -0.04 0.02 -0.01 -0.01 -0.07 0.00 0.04 0.05 0.02 0.02 -0.17 -0.07 0.18 -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 0.07 -0.10 -0.02 -0.07 0.03 0.11 -0.00 -0.00 0.00 -0.01 -0.01 -0.07 -0.02 -0.01 -0.01 0.01 0.05 0.03 0.01 0.01 -0.02 0.15 -0.04 0.05 -0.00 0.01 0.00 0.04 -0.03 -0.03 -0.00 -0.00 -0.01 0.02 0.05 0.03 0.01 0.00 -0.01 -0.05 0.06 0.11 -0.11 -0.08 0.06 0.00 0.01 0.00 -0.03 -0.12 -0.03 -0.01 -0.01 0.00 0.03 0.02 0.02 -0.15 -0.14 -0.14 -0.34 -0.33 -0.24 -0.00 -0.00 0.00 0.01 -0.02 0.05 0.08 0.05 -0.09 0.01 0.00 -0.01 -0.02 -0.03 0.13 -0.01 -0.10 0.11 0.00 0.00 0.00 0.02 -0.04 -0.03 -0.01 0.04 -0.01 -0.01 -0.02 -0.00 -0.10 -0.15 -0.04 0.28 0.50 0.04 -0.01 0.01 0.00 -0.01 -0.07 -0.12 0.05 0.04 0.08 0.01 0.01 0.01 -0.03 0.01 -0.07 0.06 -0.01 -0.01 -0.00 0.00 0.00 -0.03 -0.02 0.04 -0.21 0.00 -0.02 0.04 0.02 -0.04 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.14 -0.25 -0.07 -0.02 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.02 0.02 0.03 0.02 -0.01 -0.11 0.07 -0.02 0.02 -0.01 0.01 0.00 0.02 -0.07 -0.01 -0.00 -0.00 0.00 0.04 0.03 -0.02 -0.00 0.00 0.01 0.02 -0.01 -0.02 0.02 -0.02 -0.01 -0.02 -0.02 0.00 0.11 0.42 0.14 0.07 0.01 -0.02 0.00 0.00 0.00 -0.04 -0.04 -0.03 -0.03 -0.03 -0.02 -0.01 -0.00 0.00 0.11 0.13 -0.03 0.03 -0.04 -0.05 -0.01 0.01 0.01 0.02 -0.04 -0.23 -0.08 0.06 -0.01 -0.02 -0.01 -0.01 0.22 -0.08 0.02 0.10 -0.09 0.00 -0.01 -0.01 0.00 0.04 0.10 0.01 0.11 0.22 0.02 0.01 -0.01 -0.01 0.07 0.22 0.25 -0.07 -0.13 -0.16 -0.00 -0.00 0.00 0.01 0.02 0.01 0.01 0.04 -0.05 -0.02 -0.00 0.02 0.30 0.06 -0.27 0.23 -0.03 -0.00 0.11 0.08 -0.08 -0.02 -0.02 0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.09 -0.17 -0.07 0.07 -0.03 -0.12 0.00 -0.00 -0.01 -0.03 0.02 0.03 -0.01 -0.00 -0.01 0.21 -0.03 0.22 0.00 0.05 0.14 0.02 -0.01 0.06 -0.00 0.02 0.00 0.02 -0.04 -0.01 -0.00 0.00 0.01 -0.01 -0.03 -0.02 -0.01 0.00 0.00 0.21 -0.06 -0.09 0.01 -0.03 -0.01 0.00 0.01 0.00 -0.08 -0.27 -0.07 0.03 -0.03 -0.02 -0.01 -0.01 -0.00 0.08 0.09 0.06 0.16 0.14 0.11 -0.01 0.01 -0.01 -0.08 -0.18 0.24 0.04 -0.08 -0.09 -0.00 -0.01 -0.01 0.02 0.14 0.03 0.05 -0.06 0.03 -0.01 0.02 0.00 0.36 -0.15 0.02 -0.11 -0.00 0.02 -0.02 -0.02 0.00 0.15 0.31 0.04 0.13 0.20 0.00 -0.01 0.01 0.00 0.02 -0.05 -0.16 0.05 -0.04 0.07 -0.01 -0.01 0.00 0.05 0.05 0.02 -0.00 0.13 -0.15 -0.00 0.00 0.00 -0.07 -0.02 0.07 0.12 -0.06 -0.06 0.02 0.00 -0.04 -0.08 -0.01 0.02 0.01 0.00 0.01 0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 -0.06 0.07 -0.01 -0.01 0.00 -0.03 -0.01 0.01 -0.00 0.06 -0.02 0.06 -0.00 -0.00 0.01 -0.28 0.08 -0.28 -0.03 -0.05 -0.09 0.09 -0.02 -0.03 0.01 -0.00 0.00 -0.05 0.05 0.06 -0.00 -0.01 0.00 0.04 0.03 -0.02 -0.00 0.00 0.00 0.10 -0.04 -0.06 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.06 -0.23 -0.08 -0.09 0.02 0.03 0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.05 -0.05 -0.04 0.02 -0.00 0.01 -0.18 -0.12 -0.14 -0.08 0.16 0.14 -0.01 0.00 0.01 0.04 0.12 -0.18 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.19 0.10 0.01 0.36 -0.16 -0.01 -0.00 -0.02 0.00 0.06 0.24 -0.01 0.12 0.22 0.02 0.00 -0.01 0.00 0.01 0.05 0.07 -0.04 0.01 -0.06 -0.00 0.00 -0.00 0.02 0.03 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.10 -0.02 0.10 0.36 -0.09 -0.06 -0.09 -0.06 0.07 0.15 -0.11 0.01 -0.03 0.01 -0.03 -0.01 0.02 -0.00 -0.03 0.02 0.01 -0.01 0.03 0.03 -0.07 0.15 0.07 0.08 -0.03 -0.10 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.11 0.06 -0.09 -0.00 -0.01 -0.01 0.12 -0.03 -0.01 -0.00 -0.02 -0.00 -0.03 0.08 0.01 0.00 0.01 0.00 -0.05 -0.05 -0.01 -0.01 0.00 0.00 0.14 -0.04 -0.06 0.04 -0.03 -0.02 -0.00 -0.00 -0.00 0.04 0.14 0.03 -0.02 0.01 0.01 -0.02 -0.01 -0.01 0.07 0.07 0.05 0.18 0.14 0.11 0.00 -0.02 0.02 0.12 0.19 -0.18 0.12 0.26 -0.10 0.01 0.00 0.00 -0.03 -0.13 0.09 -0.02 0.07 -0.06 0.01 -0.02 0.00 -0.30 0.11 -0.03 -0.06 0.13 -0.03 -0.01 -0.03 0.01 0.03 0.26 -0.03 0.25 0.30 -0.03 -0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.01 0.00 -0.00 -0.01 -0.02 0.00 0.04 0.04 0.02 0.02 0.20 -0.24 0.00 -0.00 -0.00 0.01 0.01 -0.02 -0.23 -0.03 -0.09 -0.02 -0.00 0.02 0.16 0.02 -0.08 -0.02 0.00 -0.00 -0.03 -0.04 0.03 -0.04 0.01 0.01 -0.01 0.02 -0.01 0.06 -0.12 -0.07 0.08 -0.03 -0.16 -0.01 0.00 0.00 0.04 -0.01 0.02 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.04 -0.13 0.01 -0.00 0.03 0.00 0.01 -0.00 -0.05 0.04 0.06 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.19 0.06 0.09 -0.05 -0.00 0.03 0.01 0.00 -0.00 -0.04 -0.15 -0.05 -0.03 0.01 0.01 -0.01 -0.00 0.00 0.03 0.06 0.02 0.13 0.07 0.06 0.01 0.01 -0.02 -0.17 -0.26 0.19 -0.07 -0.06 0.06 -0.01 -0.00 0.00 0.01 0.01 -0.09 -0.01 0.04 -0.04 -0.02 0.01 -0.00 0.05 0.00 0.03 0.28 -0.19 0.02 0.01 0.01 0.01 -0.24 -0.42 -0.06 0.08 0.10 -0.00 0.00 -0.01 -0.00 0.01 0.08 0.11 -0.00 0.07 0.02 -0.00 -0.01 0.01 -0.01 -0.01 -0.04 0.06 0.21 -0.27 0.00 0.00 0.00 -0.03 -0.00 0.03 0.19 0.12 0.17 -0.03 -0.03 0.02 0.02 -0.03 0.05 -0.01 0.00 -0.02 0.00 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.05 0.02 0.13 -0.01 0.01 0.01 0.06 -0.02 -0.01 -0.00 0.00 -0.02 0.30 -0.07 0.31 -0.01 -0.08 -0.21 -0.06 0.01 0.03 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.07 0.00 -0.03 0.01 0.00 -0.00 -0.04 -0.14 -0.05 -0.06 0.01 0.02 0.00 0.00 -0.00 -0.02 -0.05 -0.00 -0.01 0.02 0.01 -0.01 -0.01 -0.00 -0.04 -0.11 0.16 0.22 0.24 -0.24 0.01 0.02 0.00 -0.03 -0.23 -0.01 -0.13 -0.05 0.13 -0.02 0.01 0.00 -0.09 0.05 0.01 0.39 -0.16 -0.01 -0.00 0.01 -0.00 0.09 0.01 0.05 -0.09 -0.13 -0.00 0.01 0.00 -0.00 -0.00 0.08 0.16 -0.10 -0.12 -0.20 0.00 0.00 -0.00 -0.00 -0.02 0.03 -0.02 -0.07 0.09 0.00 0.00 -0.00 -0.05 -0.02 0.06 -0.17 -0.06 -0.10 -0.05 -0.03 0.03 0.18 -0.06 -0.00 -0.03 0.01 -0.03 -0.02 -0.00 0.00 -0.03 0.01 0.01 -0.02 0.03 0.03 0.01 -0.04 -0.03 -0.06 0.01 0.09 0.00 -0.01 -0.00 0.01 0.01 0.05 0.01 0.00 0.00 -0.09 0.01 -0.10 -0.01 0.01 0.06 -0.04 0.01 -0.01 0.00 0.00 -0.00 -0.04 0.05 0.04 -0.00 -0.00 -0.00 0.05 0.05 -0.00 -0.01 0.00 0.01 0.06 -0.03 -0.05 0.07 -0.00 -0.04 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.02 -0.01 -0.01 0.01 0.01 0.01 -0.09 -0.10 -0.08 -0.16 -0.16 -0.12 0.01 0.01 -0.01 -0.04 -0.06 0.04 -0.19 -0.23 0.19 -0.01 0.01 -0.01 0.02 0.11 -0.04 -0.05 -0.32 0.36 0.01 0.00 -0.00 0.09 -0.02 0.03 -0.13 0.00 0.02 0.00 -0.00 -0.01 0.14 0.19 0.04 -0.14 -0.09 0.05 0.01 0.02 0.00 -0.05 -0.11 -0.08 -0.08 -0.21 -0.18 0.01 0.02 -0.01 -0.02 -0.06 0.07 -0.04 -0.22 0.26 0.00 0.00 0.00 -0.00 0.01 -0.01 0.22 -0.10 -0.14 -0.00 -0.01 0.00 -0.07 0.00 0.06 0.00 -0.00 -0.01 0.01 0.01 -0.01 0.02 -0.01 -0.01 0.01 0.01 0.01 -0.04 0.08 0.03 0.09 -0.03 -0.13 0.00 -0.00 -0.01 0.01 -0.00 0.05 0.00 -0.00 0.00 -0.05 0.02 -0.05 -0.01 0.02 0.07 0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.02 -0.01 -0.02 -0.00 0.00 0.01 -0.03 -0.04 -0.01 -0.00 0.00 0.01 -0.11 0.02 0.03 0.10 -0.02 -0.04 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.06 0.08 0.03 0.12 0.09 0.07 -0.01 -0.00 0.00 0.09 0.11 -0.07 0.02 0.01 -0.02 0.00 0.01 -0.02 -0.02 -0.04 0.01 -0.14 -0.33 0.42 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.10 0.06 -0.00 0.01 0.01 0.01 -0.24 -0.39 -0.06 0.05 0.04 -0.01 0.02 0.03 0.00 -0.07 -0.11 -0.03 -0.11 -0.24 -0.25 -0.00 -0.01 0.01 -0.01 0.04 -0.09 0.03 0.19 -0.22 0.00 -0.00 -0.00 -0.02 -0.00 0.02 0.18 -0.10 -0.14 -0.01 -0.00 0.01 0.07 -0.04 0.22 -0.03 0.01 -0.06 0.01 0.03 -0.03 -0.01 0.00 -0.01 -0.03 -0.02 -0.02 -0.03 0.05 0.02 0.10 -0.04 -0.26 0.00 -0.00 -0.01 -0.02 0.02 0.08 0.00 0.00 -0.01 0.10 -0.03 0.10 -0.01 0.03 0.11 -0.03 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.04 0.04 -0.00 0.01 -0.00 -0.01 -0.11 0.03 0.04 -0.11 0.01 0.05 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.02 -0.01 0.05 -0.07 -0.09 -0.18 -0.11 -0.01 -0.01 0.00 0.10 0.08 0.02 0.13 0.11 -0.14 -0.01 -0.01 0.01 0.05 0.23 -0.10 0.14 0.21 -0.30 -0.00 -0.00 -0.00 0.03 -0.02 -0.00 -0.05 0.06 -0.01 0.01 0.01 -0.00 -0.08 -0.27 0.01 -0.11 -0.07 0.04 -0.01 -0.01 -0.00 0.02 0.01 -0.04 0.11 0.19 0.22 0.01 0.01 -0.00 -0.03 -0.02 -0.03 -0.02 -0.06 0.08 0.00 -0.00 -0.00 -0.01 -0.01 0.02 0.41 -0.13 -0.14 -0.01 -0.00 0.01 0.01 0.04 0.18 -0.02 -0.00 -0.04 0.01 0.02 -0.02 0.01 -0.00 -0.01 0.02 -0.04 -0.03 0.07 -0.20 -0.13 -0.01 0.00 0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.00 -0.00 0.01 -0.15 0.04 -0.16 0.01 -0.01 -0.03 -0.02 -0.00 -0.00 0.01 0.02 0.00 -0.04 -0.01 0.07 0.00 0.01 -0.00 -0.04 -0.04 0.01 -0.00 -0.00 0.00 0.03 -0.00 -0.00 0.03 -0.00 -0.01 -0.00 -0.00 -0.00 0.03 0.10 0.03 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.03 0.01 0.02 0.08 0.09 0.06 0.02 0.02 -0.02 -0.26 -0.33 0.16 -0.27 -0.31 0.30 0.01 0.01 -0.00 -0.04 -0.19 0.09 -0.03 0.08 -0.05 0.01 0.00 -0.00 -0.11 0.06 0.00 -0.05 -0.07 0.03 0.00 -0.00 0.00 -0.04 0.03 -0.02 0.04 0.03 -0.01 0.00 -0.00 0.00 0.01 0.04 0.06 -0.02 -0.00 -0.04 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.07 -0.08 -0.01 0.00 0.01 0.07 0.02 -0.07 -0.45 -0.04 -0.11 0.03 0.01 -0.03 0.06 0.10 0.06 -0.01 -0.00 -0.02 -0.01 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.04 -0.03 -0.10 0.23 0.12 -0.06 0.02 0.12 -0.00 0.01 -0.00 0.02 -0.00 0.03 0.00 0.00 0.01 -0.10 0.02 -0.10 -0.02 -0.04 -0.08 0.03 -0.01 -0.02 -0.00 -0.02 0.00 0.04 0.02 -0.07 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.04 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.07 -0.23 -0.07 -0.00 -0.02 -0.01 -0.00 -0.00 -0.01 -0.00 -0.03 0.01 0.04 0.07 0.04 -0.02 -0.00 0.01 0.30 0.40 -0.21 -0.07 -0.21 0.05 0.00 0.01 -0.00 -0.01 -0.06 0.02 -0.01 0.01 -0.00 -0.03 0.02 0.00 0.47 -0.21 0.01 0.25 -0.13 0.00 -0.00 -0.01 -0.00 0.01 0.09 -0.00 0.04 0.03 -0.02 -0.00 -0.00 -0.00 0.02 0.05 0.03 0.01 -0.03 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.00 0.03 -0.04 0.01 -0.00 -0.01 -0.10 -0.04 0.11 -0.15 0.03 0.05 -0.06 -0.03 0.05 0.00 -0.04 0.02 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.37 0.12 0.69 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 0.01 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.02 0.03 0.04 0.01 0.00 -0.00 -0.01 -0.03 0.03 0.06 -0.07 0.00 0.03 -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.03 -0.10 -0.25 0.02 0.10 0.31 0.16 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 0.16 -0.05 0.11 -0.00 -0.06 0.00 -0.00 0.00 -0.02 0.01 -0.00 -0.05 0.03 -0.00 0.00 0.00 0.00 -0.07 -0.13 -0.02 0.02 0.03 0.01 -0.01 -0.00 -0.00 0.00 -0.02 -0.04 0.03 0.05 0.07 -0.00 -0.01 -0.00 0.01 -0.00 0.03 -0.00 0.11 -0.12 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.17 -0.04 -0.06 0.00 0.00 -0.00 0.10 0.34 0.02 -0.01 -0.02 -0.01 -0.03 -0.07 0.04 -0.01 -0.02 -0.00 -0.03 -0.13 -0.04 0.03 -0.04 -0.01 -0.07 0.01 0.12 0.00 -0.01 -0.01 -0.03 0.02 0.09 -0.00 -0.00 -0.00 0.07 -0.01 0.08 0.02 0.08 0.15 0.03 -0.01 0.01 0.00 0.00 -0.00 -0.03 0.03 0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.09 -0.03 -0.04 0.04 -0.01 -0.02 -0.00 -0.00 -0.00 0.04 0.10 0.03 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.03 0.03 0.04 0.06 0.04 -0.00 -0.01 0.01 -0.13 -0.13 -0.00 0.24 0.40 -0.20 -0.00 0.00 -0.01 0.01 0.11 0.01 0.01 -0.14 0.14 0.02 -0.02 -0.00 -0.35 0.17 0.01 -0.21 0.18 -0.03 -0.01 -0.01 -0.01 0.10 0.22 0.05 0.06 0.05 -0.02 0.00 0.01 0.00 -0.03 -0.10 -0.10 -0.04 -0.06 -0.07 -0.00 0.00 0.00 0.01 -0.02 0.04 0.01 0.01 -0.03 -0.00 -0.00 0.00 0.03 0.01 -0.03 0.24 -0.10 0.03 0.02 0.01 -0.01 -0.00 -0.06 0.08 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.07 -0.00 -0.01 -0.01 -0.01 -0.00 0.03 0.01 0.00 -0.00 -0.04 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.03 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.03 -0.01 -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 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.01 0.04 0.06 -0.04 -0.00 -0.00 -0.02 -0.00 0.04 0.02 -0.01 -0.15 0.15 0.00 -0.00 0.00 -0.04 0.02 0.01 -0.03 0.03 -0.01 -0.01 -0.00 0.00 0.05 0.08 0.01 0.04 -0.01 -0.03 0.00 0.00 0.00 -0.01 -0.03 -0.03 -0.02 -0.03 -0.04 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.08 0.53 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 0.01 0.00 0.02 0.60 -0.27 0.34 -0.01 -0.00 -0.00 0.09 -0.04 0.02 -0.00 0.01 0.01 0.00 -0.12 -0.02 0.06 0.07 -0.00 0.07 -0.01 -0.07 0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.05 -0.01 -0.02 0.31 0.42 0.09 -0.00 -0.01 -0.00 0.04 0.03 0.06 0.00 0.07 -0.02 0.00 -0.00 -0.00 0.00 -0.01 0.04 -0.03 0.01 0.01 -0.02 0.01 -0.01 0.03 -0.06 0.13 0.14 -0.09 -0.03 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.09 0.07 -0.15 0.06 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.04 -0.03 0.03 0.04 -0.01 -0.04 0.00 0.00 -0.00 -0.02 -0.00 0.04 0.02 -0.03 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.04 -0.02 -0.01 0.00 -0.00 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 0.01 0.01 0.02 0.11 -0.05 0.06 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.02 -0.04 -0.02 -0.03 0.57 0.08 -0.01 -0.01 0.00 -0.33 0.06 0.30 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.05 0.08 0.02 -0.00 -0.01 0.00 -0.01 0.01 0.04 0.03 0.05 -0.02 0.00 0.00 -0.00 0.00 -0.01 0.06 -0.04 0.01 0.02 -0.00 0.00 -0.00 0.01 -0.02 0.03 0.03 -0.02 -0.01 -0.00 -0.01 -0.00 0.06 0.03 0.03 -0.03 0.06 0.04 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.02 -0.01 0.01 0.00 0.00 0.00 0.01 -0.04 -0.03 -0.03 -0.02 0.01 0.01 -0.00 -0.00 -0.07 0.04 -0.06 -0.06 0.03 0.06 0.00 -0.02 0.03 0.25 0.15 -0.31 -0.27 0.28 -0.24 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 0.04 0.03 -0.01 0.02 -0.01 -0.00 -0.00 0.07 -0.03 0.02 0.02 -0.03 -0.02 -0.02 0.48 0.07 0.05 0.06 -0.00 -0.27 0.05 0.25 -0.00 0.00 -0.00 -0.02 -0.02 0.03 -0.00 -0.00 -0.00 0.01 0.02 0.00 -0.00 0.00 -0.00 0.04 -0.00 -0.01 -0.02 -0.02 0.01 -0.00 -0.00 0.01 -0.01 0.02 -0.11 0.08 -0.02 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.02 0.02 -0.00 -0.01 0.04 0.02 0.00 -0.00 -0.00 0.00 0.05 0.04 -0.07 0.03 -0.00 0.00 0.00 -0.00 -0.04 0.01 -0.01 0.01 -0.03 0.01 0.01 -0.00 -0.00 -0.06 0.06 -0.05 -0.06 0.03 0.06 -0.00 0.03 -0.04 -0.30 -0.18 0.37 0.32 -0.34 0.28 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 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 0.03 0.00 0.04 -0.09 0.04 -0.04 -0.02 -0.00 -0.00 0.15 -0.06 0.05 0.00 -0.00 -0.00 0.00 0.01 0.00 0.11 0.14 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.04 0.01 0.00 0.00 -0.04 -0.06 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.00 -0.03 0.01 0.03 0.00 -0.05 0.03 -0.16 0.62 -0.45 0.11 0.18 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.02 0.02 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 0.03 0.03 -0.04 0.01 -0.00 0.00 0.00 -0.00 0.04 -0.02 -0.01 -0.05 -0.03 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 -0.03 -0.02 0.05 0.04 -0.04 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.03 -0.00 -0.21 0.26 -0.14 -0.01 0.01 0.02 0.09 0.27 0.16 -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 0.18 0.03 0.25 -0.09 0.04 -0.04 -0.04 -0.01 -0.01 0.41 -0.18 0.11 -0.00 0.00 0.00 0.00 -0.07 -0.01 0.29 0.36 -0.02 0.04 -0.01 -0.04 -0.00 0.01 -0.03 -0.12 -0.13 0.19 0.01 0.00 0.00 -0.04 -0.06 -0.01 0.00 0.00 0.00 -0.04 -0.02 -0.05 -0.00 -0.06 0.01 -0.01 -0.00 0.02 -0.02 0.07 -0.35 0.23 -0.04 -0.09 0.00 -0.00 0.00 -0.01 0.01 -0.03 -0.03 0.03 0.01 -0.00 -0.00 -0.01 0.06 0.02 0.08 -0.05 0.08 0.05 0.01 -0.01 -0.01 0.01 0.11 0.10 -0.15 0.06 -0.00 0.00 0.00 0.01 -0.03 -0.04 -0.06 0.01 -0.05 0.02 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.01 0.01 0.07 0.05 -0.08 -0.08 0.08 -0.08 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.02 -0.00 -0.14 0.14 -0.06 -0.02 0.03 0.04 0.05 0.16 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 0.06 0.01 0.09 0.01 -0.01 -0.02 0.00 0.00 0.00 -0.03 0.01 -0.01 -0.00 0.01 0.00 0.03 -0.14 0.01 -0.01 -0.02 0.00 0.07 -0.01 -0.06 -0.00 0.00 -0.01 -0.03 -0.06 0.06 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.02 -0.03 -0.01 0.22 0.14 0.31 0.08 0.38 -0.09 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 -0.04 -0.04 0.04 0.02 -0.00 -0.01 -0.01 0.12 0.02 0.15 -0.06 0.13 0.08 -0.01 0.01 0.00 -0.00 -0.07 -0.05 0.10 -0.04 -0.00 0.00 0.00 0.00 -0.02 -0.02 -0.04 -0.02 -0.03 0.01 0.03 -0.02 -0.00 -0.28 0.19 -0.23 -0.29 0.14 0.27 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.02 0.01 0.03 0.00 0.01 -0.18 -0.15 -0.17 -0.28 0.14 0.04 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 0.03 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.23 -0.05 -0.33 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.02 0.01 0.00 -0.00 -0.00 -0.01 0.05 0.01 -0.02 -0.03 -0.01 -0.02 0.00 0.02 0.00 -0.01 0.03 0.15 0.17 -0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.04 0.03 0.07 0.01 0.08 -0.02 -0.01 -0.00 0.02 -0.01 0.04 -0.25 0.15 -0.01 -0.05 0.00 -0.00 0.00 -0.00 0.02 -0.03 -0.03 0.02 0.01 0.00 0.01 0.01 -0.10 -0.02 -0.13 0.08 -0.10 -0.10 -0.00 0.00 0.00 -0.00 -0.04 -0.03 0.05 -0.02 -0.00 0.00 0.01 0.00 -0.04 -0.05 -0.07 0.01 -0.08 0.03 -0.01 0.00 -0.00 0.09 -0.03 0.07 0.08 -0.02 -0.07 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.01 0.01 -0.01 0.02 0.00 0.01 -0.15 -0.12 -0.14 -0.24 0.11 0.04 0.01 -0.04 -0.00 -0.26 0.35 -0.18 0.01 -0.01 -0.01 0.10 0.32 0.21 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.06 -0.01 -0.08 -0.02 0.01 -0.03 0.00 0.00 -0.00 -0.04 0.02 -0.00 -0.00 0.00 0.00 0.01 -0.05 -0.00 -0.02 -0.03 -0.00 0.02 -0.00 -0.03 0.00 -0.00 0.01 0.04 0.04 -0.07 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.02 -0.01 0.15 0.10 0.21 0.05 0.25 -0.06 -0.00 -0.00 0.01 -0.01 0.01 -0.10 0.06 -0.00 -0.02 -0.00 0.01 -0.00 0.01 -0.05 0.07 0.07 -0.07 -0.03 -0.00 -0.00 -0.00 0.03 0.00 0.04 -0.02 0.04 0.02 -0.01 0.01 0.00 -0.01 -0.08 -0.07 0.12 -0.05 -0.00 0.00 0.00 0.00 -0.02 -0.03 -0.04 -0.01 -0.04 0.02 0.01 -0.00 -0.00 -0.12 -0.01 -0.08 -0.09 0.04 0.08 -0.00 0.00 -0.00 -0.02 -0.02 0.01 0.02 -0.02 0.02 -0.05 -0.00 -0.01 0.34 0.27 0.31 0.53 -0.26 -0.09 0.00 -0.02 -0.00 -0.12 0.15 -0.08 0.01 0.00 0.00 0.05 0.15 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 0.14 0.02 0.19 -0.04 0.01 -0.05 -0.01 -0.00 -0.00 0.07 -0.03 0.02 0.00 -0.01 -0.00 -0.02 0.10 -0.00 0.05 0.07 -0.00 -0.05 0.01 0.04 0.00 0.00 -0.02 -0.12 -0.08 0.17 0.00 -0.00 0.00 -0.02 -0.02 0.00 -0.02 -0.03 -0.01 0.22 0.16 0.34 0.08 0.40 -0.09 0.00 0.00 -0.00 0.00 -0.00 0.04 -0.02 -0.00 0.01 0.00 -0.01 0.00 -0.01 0.05 -0.06 -0.07 0.04 0.01 0.00 0.01 0.02 -0.15 -0.03 -0.21 0.09 -0.17 -0.13 -0.01 0.01 0.00 -0.00 -0.06 -0.06 0.10 -0.04 -0.01 0.00 0.00 0.00 -0.00 -0.02 -0.03 -0.02 -0.03 0.01 -0.03 0.01 -0.00 0.29 -0.19 0.23 0.27 -0.08 -0.24 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.02 0.00 0.01 -0.00 0.01 -0.00 0.06 -0.09 0.05 0.01 -0.01 -0.02 -0.02 -0.07 -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 0.23 0.03 0.31 0.06 -0.02 0.03 0.03 0.01 0.00 -0.26 0.11 -0.05 -0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.17 -0.21 0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.03 -0.16 -0.16 0.24 -0.00 0.00 -0.00 0.02 0.03 0.00 0.01 0.01 0.00 -0.09 -0.06 -0.14 -0.05 -0.17 0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.04 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.09 0.12 0.13 -0.10 -0.04 -0.00 -0.00 -0.00 0.06 0.01 0.06 -0.03 0.08 0.05 -0.02 0.02 0.01 -0.02 -0.22 -0.18 0.31 -0.13 -0.00 0.01 0.02 0.01 -0.08 -0.13 -0.20 -0.09 -0.20 0.08 -0.01 0.00 0.00 0.07 -0.03 0.06 0.07 -0.03 -0.06 -0.00 0.00 -0.00 -0.03 -0.03 0.00 0.04 -0.02 0.05 0.00 0.00 0.00 -0.03 -0.02 -0.04 -0.05 0.02 0.01 0.00 -0.02 -0.00 -0.14 0.13 -0.05 0.01 -0.01 -0.01 0.07 0.18 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 0.01 -0.12 0.06 -0.07 -0.01 -0.00 0.00 0.08 -0.04 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.01 0.06 0.08 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.02 0.01 0.00 0.00 -0.06 -0.08 -0.01 -0.00 -0.00 -0.00 0.02 0.01 0.03 0.01 0.04 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.00 -0.00 -0.02 0.04 -0.02 0.02 -0.33 0.38 0.41 -0.35 -0.13 0.00 0.00 0.00 -0.05 -0.02 -0.04 0.01 -0.07 -0.01 -0.01 0.01 0.00 -0.01 -0.08 -0.06 0.13 -0.05 -0.01 -0.02 -0.03 -0.01 0.11 0.21 0.32 0.15 0.33 -0.14 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 0.00 0.01 0.01 0.00 0.01 -0.07 -0.03 -0.10 -0.09 0.04 0.03 0.00 -0.00 0.00 -0.02 0.03 -0.02 -0.01 0.00 0.00 0.01 0.03 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.13 0.01 0.16 0.08 -0.04 0.04 0.02 0.00 0.01 -0.21 0.08 -0.08 0.00 -0.00 -0.00 0.00 0.03 0.00 -0.12 -0.16 0.01 -0.01 0.00 0.01 -0.00 0.01 -0.02 -0.08 -0.09 0.13 -0.01 -0.00 -0.00 0.03 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 0.01 -0.01 -0.00 -0.08 0.04 -0.00 -0.01 0.01 -0.02 0.01 -0.01 0.20 -0.23 -0.25 0.21 0.08 0.00 0.00 -0.01 -0.00 -0.02 0.02 -0.03 -0.03 0.03 0.00 -0.00 -0.00 0.00 0.02 0.02 -0.04 0.02 -0.00 -0.02 -0.04 -0.01 0.14 0.26 0.40 0.21 0.40 -0.18 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.01 0.05 0.03 -0.01 -0.01 0.00 -0.02 -0.00 -0.14 0.15 -0.07 -0.01 -0.01 -0.02 0.07 0.18 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 -0.10 -0.01 -0.11 -0.02 0.01 -0.02 -0.00 -0.00 0.00 0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.03 0.02 -0.03 0.02 0.02 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.10 0.03 -0.13 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.05 0.04 0.08 0.01 0.09 -0.02 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.03 -0.04 0.36 0.07 0.45 -0.27 0.39 0.35 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.04 0.05 0.02 0.06 -0.03 -0.03 0.01 -0.00 0.26 -0.13 0.20 0.23 -0.07 -0.21 -0.00 0.00 -0.00 -0.02 -0.01 0.02 0.02 -0.02 0.02 0.00 0.00 0.00 -0.02 -0.02 -0.02 -0.04 0.01 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.02 -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 -0.07 -0.01 -0.09 0.16 -0.06 0.06 -0.03 -0.01 -0.00 0.27 -0.12 0.06 0.00 -0.00 -0.00 0.00 0.00 0.00 0.19 0.25 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.05 0.05 -0.07 -0.01 0.00 -0.00 0.06 0.08 0.02 0.01 0.01 0.00 -0.06 -0.04 -0.10 -0.05 -0.12 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.13 -0.14 -0.15 0.13 0.05 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.02 -0.01 -0.03 0.03 0.02 -0.03 -0.38 -0.29 0.55 -0.22 -0.02 -0.00 -0.01 -0.00 0.03 0.05 0.08 0.02 0.10 -0.04 0.00 -0.00 0.00 -0.03 0.02 -0.03 -0.03 0.00 0.02 -0.01 0.00 0.00 -0.02 -0.04 -0.04 0.04 0.00 0.06 -0.00 -0.00 -0.00 0.01 0.00 0.03 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.05 -0.05 0.02 -0.02 0.02 0.02 -0.03 -0.07 -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 0.36 0.91 0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.06 -0.00 0.03 -0.05 0.03 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.03 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 0.01 -0.04 0.03 0.03 0.03 0.07 -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 0.06 -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.01 0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.03 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 0.02 -0.01 0.00 -0.02 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.02 -0.02 -0.01 -0.09 0.01 -0.08 -0.02 -0.04 -0.04 -0.06 -0.01 -0.02 0.30 0.64 0.59 0.00 0.00 -0.00 -0.02 -0.05 0.05 -0.01 -0.01 -0.04 -0.00 0.00 0.00 0.04 -0.01 -0.06 0.00 -0.00 0.01 0.00 0.01 -0.01 0.08 -0.05 0.03 -0.13 -0.03 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 0.02 0.23 -0.15 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.16 -0.11 0.12 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.20 -0.04 0.17 -0.00 0.00 -0.00 0.01 0.02 -0.00 0.01 0.01 -0.01 0.04 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 -0.01 -0.01 0.00 0.00 0.23 -0.06 -0.02 -0.01 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.03 -0.03 -0.50 0.54 0.28 0.21 -0.04 0.16 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.06 0.05 -0.01 -0.01 0.01 0.10 0.23 -0.20 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.05 -0.02 -0.08 -0.02 0.02 -0.04 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 -0.04 -0.05 -0.05 0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.12 0.09 -0.09 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.01 -0.17 -0.04 0.15 -0.04 0.03 -0.02 0.01 0.02 -0.00 -0.00 -0.01 0.01 -0.03 -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.02 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.05 0.02 -0.02 0.22 -0.25 -0.14 0.58 -0.06 0.49 -0.00 -0.01 -0.01 0.02 -0.00 0.00 0.05 0.10 0.09 -0.00 -0.00 0.01 0.03 0.07 -0.06 -0.00 -0.02 -0.03 -0.01 0.00 0.02 0.15 -0.05 -0.24 -0.02 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.01 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.02 0.00 -0.00 -0.00 0.02 0.02 0.02 -0.02 -0.22 0.15 -0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.02 -0.00 0.02 0.33 0.07 -0.29 -0.00 0.00 -0.00 -0.01 -0.04 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.04 0.01 0.01 0.68 -0.19 -0.06 -0.03 0.02 -0.06 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.01 0.01 0.00 0.15 -0.16 -0.09 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.02 0.02 -0.01 -0.02 0.01 0.14 0.29 -0.26 0.02 0.04 0.16 -0.00 0.00 -0.01 -0.03 0.01 0.05 0.04 -0.03 0.07 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 0.01 0.01 0.01 0.00 0.00 0.00 -0.05 -0.07 -0.07 -0.01 -0.06 0.04 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.02 -0.00 -0.00 0.00 0.02 0.06 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.01 0.05 0.07 -0.06 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 0.01 -0.00 -0.01 -0.09 0.05 0.01 0.01 0.02 -0.01 0.00 0.00 0.14 -0.04 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.02 -0.06 0.12 -0.00 0.00 0.00 0.05 -0.05 -0.03 -0.01 0.00 -0.00 0.01 0.01 0.01 -0.06 0.01 -0.01 -0.08 -0.17 -0.16 0.00 0.00 -0.01 -0.02 -0.05 0.04 0.02 0.04 0.10 -0.02 0.01 0.03 0.33 -0.11 -0.53 0.02 -0.02 0.06 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.05 0.09 0.09 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.05 0.54 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 0.01 0.03 -0.01 0.03 0.00 -0.03 -0.44 -0.09 0.39 0.03 -0.02 0.01 0.02 0.06 -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 0.00 0.08 -0.04 0.00 -0.00 0.01 -0.03 0.01 0.01 0.50 -0.14 -0.04 -0.03 0.02 -0.05 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.02 0.06 -0.11 -0.00 0.01 0.01 0.10 -0.11 -0.05 -0.07 0.01 -0.06 -0.00 -0.00 -0.00 0.02 -0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.03 -0.13 -0.29 0.25 0.03 0.07 0.16 0.01 -0.01 -0.00 -0.09 0.03 0.16 -0.10 0.06 -0.15 -0.01 0.00 0.00 0.05 -0.03 0.03 0.08 0.02 -0.06 0.00 0.00 0.00 -0.00 0.01 0.00 -0.04 -0.06 -0.06 0.00 0.00 0.00 -0.04 -0.06 -0.05 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.03 -0.02 0.02 0.04 0.10 0.01 0.00 -0.00 0.00 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.04 -0.01 0.03 -0.04 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.05 -0.03 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.08 -0.02 -0.01 -0.01 0.00 -0.01 0.01 0.02 -0.04 0.01 0.01 -0.03 -0.13 -0.38 0.71 0.01 -0.00 0.00 -0.03 0.04 0.02 -0.12 0.01 -0.10 -0.00 -0.00 -0.00 0.03 -0.00 0.01 0.02 0.05 0.05 0.00 0.01 -0.01 -0.06 -0.13 0.11 -0.00 -0.00 -0.02 -0.01 0.00 0.00 0.07 -0.02 -0.11 0.04 -0.03 0.06 -0.00 0.00 0.00 0.02 -0.01 0.01 0.03 0.01 -0.03 -0.01 -0.01 -0.01 0.04 -0.04 -0.02 0.11 0.18 0.17 0.00 0.00 0.00 -0.01 -0.02 -0.02 -0.03 -0.30 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 -0.00 -0.02 0.01 0.43 0.33 -0.33 0.02 0.07 0.00 -0.00 0.00 -0.00 -0.02 -0.05 0.00 0.00 0.00 -0.00 -0.08 -0.02 0.07 0.02 -0.02 0.01 0.00 0.01 -0.00 -0.02 -0.02 0.02 -0.05 -0.02 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.11 -0.06 0.01 0.00 0.02 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.02 0.02 -0.01 -0.02 -0.05 -0.16 0.29 -0.00 -0.00 -0.01 -0.05 0.06 0.03 0.08 -0.01 0.07 0.00 -0.00 0.00 -0.05 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 0.08 0.18 -0.15 0.00 -0.00 0.01 0.02 -0.01 -0.01 -0.21 0.07 0.34 -0.07 0.05 -0.11 -0.01 -0.00 0.01 -0.04 0.03 -0.01 0.12 0.03 -0.09 -0.00 0.00 0.00 0.03 -0.02 -0.01 -0.01 -0.02 -0.02 -0.00 -0.01 -0.00 0.06 0.09 0.08 0.03 0.31 -0.19 -0.04 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 0.02 -0.01 0.45 0.35 -0.34 -0.02 -0.05 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.04 0.01 -0.04 -0.02 0.02 -0.01 -0.00 -0.01 0.00 -0.03 -0.02 0.02 -0.04 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.11 0.06 -0.02 -0.00 -0.03 -0.01 0.00 0.00 0.12 -0.03 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.02 0.01 0.02 0.04 0.11 -0.21 0.02 -0.01 0.00 -0.18 0.20 0.11 -0.17 0.01 -0.14 -0.00 0.00 0.00 0.05 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.05 -0.11 0.09 0.02 0.03 0.08 -0.02 0.01 0.01 0.17 -0.05 -0.28 0.07 -0.05 0.11 0.01 0.00 -0.01 0.03 -0.02 0.01 -0.16 -0.04 0.12 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.01 0.02 0.02 -0.00 -0.01 -0.00 0.06 0.08 0.08 -0.03 -0.26 0.16 -0.04 0.03 -0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 0.04 -0.04 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.03 0.00 -0.01 -0.00 0.01 0.19 0.04 -0.18 -0.05 0.04 -0.02 -0.01 -0.03 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.15 -0.08 0.06 0.01 0.11 -0.01 0.00 0.00 0.10 -0.03 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.02 0.07 -0.13 -0.00 -0.00 -0.01 -0.08 0.09 0.04 0.11 -0.01 0.08 0.00 -0.01 -0.00 -0.07 0.01 -0.02 0.05 0.09 0.09 0.01 0.01 0.00 -0.08 -0.18 0.16 -0.03 -0.06 -0.20 -0.01 0.00 0.01 0.07 -0.02 -0.12 0.01 -0.01 0.02 -0.04 -0.01 0.03 -0.08 0.05 -0.02 0.63 0.15 -0.46 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.03 0.05 0.05 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 0.02 0.00 -0.01 -0.27 -0.06 0.24 -0.00 0.00 -0.00 0.01 0.04 -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 0.03 -0.02 0.02 0.00 0.04 0.01 -0.00 -0.00 -0.18 0.05 0.01 0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.02 0.05 -0.09 0.01 0.01 0.02 0.12 -0.13 -0.06 -0.32 0.04 -0.26 -0.00 -0.01 -0.00 -0.02 0.00 -0.01 0.04 0.08 0.08 -0.01 -0.03 0.01 0.18 0.40 -0.34 0.02 0.05 0.19 -0.01 0.00 0.01 0.12 -0.04 -0.19 -0.01 0.00 -0.01 -0.01 -0.01 0.02 -0.13 0.08 -0.05 0.28 0.06 -0.20 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.03 0.05 0.05 -0.00 -0.00 -0.00 0.02 0.02 0.02 -0.01 -0.15 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 -0.02 -0.02 0.02 0.00 0.00 0.00 -0.01 0.00 -0.00 0.05 0.13 -0.01 -0.01 -0.00 0.01 0.14 0.03 -0.13 0.14 -0.12 0.05 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.18 0.05 0.01 0.01 -0.01 0.02 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.02 0.03 -0.00 -0.00 -0.01 -0.07 0.08 0.04 0.14 -0.02 0.12 -0.00 -0.00 -0.00 0.03 -0.01 0.00 0.04 0.07 0.07 -0.01 -0.01 -0.06 -0.06 -0.12 0.07 0.13 0.26 0.81 0.00 -0.00 -0.00 -0.02 0.01 0.04 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.12 0.08 -0.05 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.02 0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.00 -0.02 0.02 -0.02 0.02 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.13 -0.03 0.11 0.02 -0.02 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -0.03 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.01 0.01 0.03 0.09 -0.16 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.07 -0.01 0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.04 -0.01 0.01 -0.05 -0.15 0.05 0.21 0.35 -0.23 0.49 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.02 -0.01 0.02 -0.02 -0.02 -0.02 0.04 -0.05 -0.03 0.25 0.42 0.41 0.00 0.00 0.00 -0.01 -0.02 -0.02 0.01 0.08 -0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -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 0.09 0.02 -0.08 0.03 -0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 0.01 0.03 0.52 -0.28 0.03 -0.01 0.07 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.01 0.02 0.02 0.07 -0.13 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.02 0.00 -0.02 -0.00 0.00 0.00 0.04 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.02 -0.02 0.00 0.01 0.02 0.02 -0.01 0.03 0.05 -0.02 -0.06 -0.28 0.19 -0.41 0.01 0.01 -0.01 0.09 -0.06 0.03 -0.17 -0.04 0.12 -0.01 -0.02 -0.02 0.03 -0.04 -0.03 0.20 0.33 0.32 -0.00 -0.00 -0.00 0.01 0.02 0.02 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.14 -0.11 0.11 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.05 -0.04 0.02 0.00 -0.00 0.00 0.01 0.01 -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 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.14 -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 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.03 -0.01 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 -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 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.04 -0.03 0.42 0.60 0.60 -0.00 -0.00 0.00 -0.13 0.07 -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 -0.01 0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.03 -0.01 0.03 -0.09 0.07 -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 -0.04 0.00 0.03 0.57 -0.31 0.16 0.01 0.30 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.01 -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 -0.15 0.03 -0.03 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.02 0.07 -0.02 0.01 -0.01 0.06 -0.02 -0.11 0.22 -0.14 0.32 0.00 0.01 -0.01 0.10 -0.07 0.04 -0.11 -0.03 0.08 0.01 0.01 0.01 -0.06 0.06 0.03 -0.17 -0.28 -0.26 0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.02 0.01 -0.02 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 0.03 -0.03 -0.01 -0.03 -0.00 -0.04 0.02 -0.01 0.06 0.18 -0.03 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.54 -0.46 0.19 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 0.16 -0.08 -0.04 -0.01 -0.08 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.01 0.02 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.03 0.00 -0.01 0.51 -0.09 0.08 0.01 0.04 0.04 0.00 0.00 0.01 0.01 0.03 -0.02 -0.03 -0.07 -0.19 -0.01 0.00 -0.00 0.03 -0.01 -0.05 0.07 -0.04 0.10 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.01 -0.02 0.00 0.00 0.00 -0.02 0.02 0.01 -0.05 -0.09 -0.08 -0.00 0.01 -0.00 -0.02 -0.02 -0.03 0.00 -0.01 0.00 0.09 -0.07 0.07 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.02 -0.01 0.01 -0.01 -0.02 -0.00 0.03 0.00 0.00 -0.14 -0.36 0.06 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.33 0.28 -0.11 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.01 0.02 0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.02 0.01 0.12 -0.06 -0.13 -0.03 -0.25 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.02 0.02 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.01 -0.01 0.68 -0.12 0.12 -0.02 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 0.04 0.11 -0.00 0.00 -0.00 0.02 -0.01 -0.03 0.03 -0.02 0.04 -0.00 0.00 0.00 0.01 -0.01 0.01 0.05 0.01 -0.04 0.00 0.00 0.00 -0.02 0.02 0.01 -0.02 -0.04 -0.04 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.10 -0.06 -0.07 0.05 -0.05 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.02 0.04 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.03 -0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.16 0.08 0.08 0.02 0.14 0.00 -0.00 -0.00 -0.08 0.02 0.00 0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.08 -0.01 0.01 -0.01 -0.03 -0.03 -0.00 -0.01 -0.00 0.03 0.07 -0.06 0.02 0.04 0.13 0.00 -0.00 0.00 -0.01 0.00 0.02 -0.01 0.01 -0.02 -0.05 0.03 -0.01 0.72 -0.50 0.29 0.14 0.05 -0.12 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 0.02 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 -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 0.00 -0.02 -0.07 0.00 0.00 0.02 -0.00 -0.10 -0.22 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.02 0.00 0.00 -0.00 0.02 -0.01 0.01 -0.02 0.01 -0.05 -0.02 -0.20 0.09 0.40 0.08 0.74 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.10 0.05 0.06 -0.00 -0.01 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.29 -0.05 0.05 0.01 0.03 0.02 0.00 0.00 -0.00 -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.04 -0.04 0.02 -0.06 0.01 -0.01 0.00 -0.16 0.11 -0.06 -0.07 -0.02 0.05 -0.00 -0.00 -0.00 0.03 -0.03 -0.02 0.03 0.05 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.02 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.06 0.01 0.33 0.74 -0.11 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.31 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 -0.03 -0.07 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.02 0.00 0.07 0.01 0.14 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.10 -0.06 -0.06 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.00 0.01 -0.02 0.00 -0.00 0.28 -0.05 0.05 -0.01 -0.01 -0.02 0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 -0.02 -0.05 0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 0.04 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.01 0.01 0.01 0.01 -0.01 0.00 -0.00 0.01 0.02 0.01 0.01 0.08 -0.05 0.07 -0.05 0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.04 0.00 0.00 0.01 -0.00 -0.06 -0.13 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.04 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.01 0.03 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.03 0.01 0.04 0.01 0.07 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.05 0.02 0.03 0.76 -0.42 -0.43 -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.08 0.07 0.04 0.03 0.03 0.03 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.02 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.07 -0.16 0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.06 0.06 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.08 -0.02 -0.06 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 0.03 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 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.05 0.02 -0.04 0.06 0.13 0.10 -0.00 -0.01 0.01 0.66 -0.48 0.48 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.13 0.04 0.10 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.01 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.08 -0.05 -0.05 0.00 0.03 -0.05 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.03 0.02 -0.01 0.02 -0.00 0.00 0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.04 0.04 0.02 0.71 -0.57 -0.31 -0.07 -0.06 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 0.04 -0.07 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.05 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.02 -0.01 -0.00 -0.00 0.00 -0.05 -0.02 -0.03 0.73 0.21 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 -0.00 -0.00 -0.04 0.02 0.02 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.03 -0.03 -0.02 0.02 -0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.12 0.09 0.05 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.08 -0.06 0.06 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.06 0.01 0.06 -0.02 -0.06 0.00 -0.00 0.00 0.18 0.98 -0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 -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 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 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 -0.02 0.02 -0.05 0.08 -0.01 -0.04 0.31 -0.31 0.89 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.03 0.66 -0.61 0.44 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 0.00 -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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 11.00931 18.99840 18.99840 18.99840 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 337.15516 0.9999 -0.0138 -1.0E-4 0.01375 0.9966 -0.08123 0.00122 0.08122 0.9967 asymmetric 1 0.01291 0.00805 0.00738 0.26896 0.16764 0.15380 1021429.3 42.61 51.32 63.34 72.00 80.75 83.59 86.72 91.68 102.64 110.54 117.22 119.57 127.82 128.56 133.30 145.17 164.16 174.82 189.30 201.88 218.01 225.10 227.95 238.92 250.89 257.91 265.08 278.01 297.74 299.62 309.94 330.51 333.91 343.71 351.62 362.39 371.51 378.97 383.84 414.58 426.93 428.74 442.30 451.31 472.58 515.68 550.32 605.28 615.75 666.18 670.70 683.40 711.33 720.54 742.13 745.56 760.14 770.82 782.74 807.36 811.79 834.01 859.34 874.44 896.08 928.10 932.82 964.04 985.28 989.87 1008.31 1025.63 1034.59 1041.85 1056.75 1076.95 1099.68 1104.72 1147.19 1169.08 1206.21 1231.47 1279.97 1311.12 1347.60 1357.39 1383.06 1403.80 1417.65 1470.45 1497.91 1533.59 1553.04 1585.27 1904.82 2396.12 2397.75 2403.78 2406.43 2428.56 2443.28 2459.12 2460.83 2471.93 2477.90 2495.73 2497.54 2510.11 2518.97 4507.17 4690.02 4784.27 4849.09 4871.83 4901.89 4935.65 4983.79 5007.72 5011.50 5037.42 5050.81 5078.14 5126.43 5141.43 5173.93 5200.25 5212.48 5253.48 5277.34 5301.17 5314.47 5330.70 5387.50 5405.18 5424.35 5575.07 5587.05 5590.37 0.389042 0.427001 0.427945 0.320170 -1471.004317 -1470.966358 -1470.965414 -1471.073189 267.947 132.770 226.833 0.000 0.000 0.000 0.889 2.981 43.341 0.889 2.981 35.093 266.170 126.808 148.399 1 0.593 1.984 5.855 2 0.594 1.982 5.486 3 0.595 1.980 5.069 4 0.595 1.978 4.816 5 0.596 1.975 4.589 6 0.596 1.974 4.521 7 0.597 1.973 4.448 8 0.597 1.972 4.338 9 0.598 1.968 4.116 10 0.599 1.965 3.970 11 0.600 1.962 3.855 12 0.600 1.961 3.816 13 0.602 1.957 3.685 14 0.602 1.957 3.674 15 0.602 1.954 3.603 16 0.604 1.948 3.437 17 0.607 1.938 3.198 18 0.609 1.931 3.076 19 0.612 1.922 2.923 20 0.615 1.913 2.800 21 0.619 1.901 2.653 22 0.620 1.895 2.592 23 0.621 1.893 2.568 24 0.624 1.884 2.480 25 0.627 1.874 2.388 26 0.629 1.868 2.336 27 0.631 1.861 2.285 28 0.635 1.849 2.197 29 0.641 1.830 2.070 30 0.642 1.828 2.059 31 0.645 1.818 1.997 32 0.652 1.796 1.881 33 0.653 1.792 1.863 34 0.657 1.781 1.811 35 0.660 1.772 1.771 36 0.664 1.760 1.717 37 0.667 1.749 1.674 38 0.670 1.740 1.639 39 0.672 1.734 1.617 40 0.685 1.696 1.485 41 0.690 1.680 1.435 42 0.691 1.677 1.428 43 0.697 1.660 1.376 44 0.702 1.648 1.343 45 0.712 1.619 1.268 46 0.733 1.558 1.129 47 0.752 1.508 1.029 48 0.783 1.425 0.890 49 0.789 1.409 0.865 50 0.821 1.332 0.757 51 0.824 1.325 0.748 52 0.832 1.306 0.724 53 0.850 1.262 0.672 54 0.856 1.248 0.656 55 0.871 1.215 0.620 56 0.873 1.210 0.614 57 0.883 1.187 0.591 58 0.891 1.171 0.575 59 0.899 1.153 0.557 60 0.917 1.115 0.522 61 0.920 1.109 0.515 62 0.936 1.075 0.486 63 0.955 1.038 0.454 64 0.967 1.015 0.436 0.477410e+32 31.678892 72.943344 0.188247e+17 16.274728 37.473945 0.100000e+01 0.000000 0.000000 0.243332e+09 8.386199 19.309936 0.104224e+08 7.017966 16.159463 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.4173 0.0875 0.3870 0.5758 -179.2402 -160.0461 -144.6619 -7.1694 14.8559 -12.3830 -17.9241 1.2699 16.6542 -7.1694 14.8559 -12.3830 -51.0650 -65.4530 -33.4036 -36.7600 51.2744 41.2476 14.7054 -4.7927 -15.5768 25.6766 -6440.3247 -2907.1549 -2207.5469 -287.8636 421.6553 -37.7869 -140.6903 65.1058 -55.8640 -1482.5647 -1230.0678 -705.5993 -74.9237 84.7525 20.9366 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.3933592 1.913E-9 1.084E-5 0.3890419 0.4270012 -1470.9663581 -1470.9654139 -1471.0731894 -12.1514895,13.185694,-1.0342045,-10.9020214,-7.6546599,7.893935 C01 [X(B1F3H29O15)] 0.1471949 0.0504606 0.1646381 2.0099878 0.0387662 -0.0327288 0.0507751 1.6542955 -0.1281733 -0.0358792 -0.0761649 1.8399525 -0.918441 0.2342664 0.1625303 0.2764014 -0.610256 -0.1235239 0.214785 -0.1270179 -0.6983808 -0.6935078 -0.2209239 -0.0658019 -0.2673298 -0.9246159 -0.0024284 -0.0644579 -0.0146452 -0.5076488 -1.135485 0.00424 -0.2479286 0.0201325 -0.5591028 0.0846704 -0.2831698 0.0680529 -0.6825272 -0.9423156 -0.0087076 0.0606129 0.0002686 -1.0142011 0.1416999 0.0612544 0.1130058 -1.1868359 0.5222575 0.2394926 0.0800307 0.2519273 0.5636851 0.0224847 0.0655822 0.0074175 0.2600121 0.3290796 0.2288899 -0.1259409 0.2287839 0.7785057 -0.3439497 -0.1284455 -0.3501833 0.4643222 -0.763974 0.076559 -0.0550235 0.0967048 -0.7097757 0.0194986 -0.0401075 -0.0204312 -0.8184998 0.3537186 0.0898973 0.0059056 0.1594121 0.4460856 -0.0339166 -0.0141514 -0.035126 0.3041929 -0.8097625 0.0377938 -0.0379392 0.049165 -0.7842691 -0.3147869 -0.0609734 -0.3258582 -0.6271573 0.4661875 0.1813029 0.1849586 0.1803136 0.4773943 0.291626 0.170562 0.2897375 0.4804745 0.4402297 -0.0761023 0.1510923 -0.1548735 0.3732081 -0.0436822 0.1786225 -0.0307344 0.3908992 0.2907157 -0.0110009 -0.023072 -0.023638 0.2690398 0.0842707 -0.0000027 0.1344379 0.2277783 -0.8525532 -0.0578995 -0.176662 -0.0641097 -0.73254 0.1204304 -0.2254494 0.1202529 -0.7611907 0.450864 -0.083073 0.0107922 -0.0736311 0.3090272 -0.0789636 0.0162462 -0.0547838 0.276629 -0.7056988 -0.1501627 0.0548589 -0.1112021 -0.8396488 0.1287481 0.0095214 0.1552855 -0.7946077 0.1826166 0.0703993 0.0218668 0.0133903 0.2642328 0.0134853 0.0396608 -0.0129437 0.2921516 -0.8099264 -0.0039365 -0.1059587 0.0118542 -0.8074036 -0.0104061 -0.0805102 -0.0296211 -0.698423 0.2389255 -0.0209126 0.0484662 -0.003437 0.6613413 -0.1248099 0.0494918 -0.0758948 0.3185238 0.3567754 -0.0827006 -0.0718861 -0.1130135 0.3028139 0.1117359 -0.0822725 0.0752373 0.4471232 -1.0592057 0.01633 0.0901858 0.0048039 -0.5099807 0.1615088 0.0650988 0.1815849 -0.6723794 0.9715126 -0.0572857 0.0289384 -0.0864244 0.2619418 -0.059041 0.0443281 -0.0476287 0.2509035 0.3347728 -0.0051649 -0.0410176 0.0396593 0.2176676 -0.0804447 -0.0028528 -0.0937706 0.2213343 -0.7669131 -0.0954279 0.0829107 -0.0845211 -0.9400268 0.034562 0.0858069 0.0347383 -0.7379721 0.5312643 -0.0784714 0.0500648 -0.0415612 0.2544265 -0.0003714 0.0899221 -0.0366765 0.3550317 0.3337593 -0.0053931 -0.0190605 -0.0347702 0.6644329 0.1866982 -0.0358782 0.2338335 0.3397727 -1.0093717 -0.0492204 -0.1601812 -0.0297128 -0.9390847 -0.0866207 -0.1440535 -0.0848155 -0.8293182 0.4503106 -0.0740831 0.2774553 -0.104048 0.3014414 -0.1420143 0.2906287 -0.1146068 0.6576539 0.6779525 -0.2061476 -0.1614377 -0.227143 0.3776335 0.130704 -0.1611957 0.1073656 0.284834 -0.942349 0.0031932 0.0541095 -0.0009567 -0.9139663 0.051892 0.0746727 0.0203824 -0.8159038 0.6526706 -0.0323264 0.0842631 -0.0128762 0.3147448 0.0225716 0.0381624 0.0375451 0.2412541 0.3905823 0.0596864 -0.2867477 0.0357812 0.2789697 -0.0303207 -0.2724116 -0.0661474 0.7611806 -1.0815409 0.0467391 -0.0510226 0.0232539 -0.8119522 0.0011524 -0.0741887 -0.0054316 -0.7104518 0.3929737 0.1888748 -0.0086972 0.2437058 0.6879937 -0.0211601 0.0047018 0.0067341 0.2411634 0.3538627 -0.0393751 -0.0881224 -0.0620415 0.2621475 0.0840998 -0.1157311 0.0568798 0.5864357 -0.781763 -0.0284033 0.0592421 -0.0269038 -0.9121127 -0.040832 0.0452882 -0.0555485 -0.8847354 0.3513443 0.0854574 0.1588918 0.1100337 0.3052706 0.1607317 0.2129802 0.1402538 0.656302 0.4463177 -0.2056306 -0.0550888 -0.220401 0.5137373 0.1092821 -0.0668277 0.1270774 0.3069962 -0.9560963 -0.0412131 0.029158 -0.0326732 -0.59331 0.098298 0.0201675 0.1426572 -0.9272912 0.4807023 -0.1431693 0.0911998 -0.1360714 0.3424448 -0.1289835 0.105003 -0.14738 0.3693704 0.6851775 0.1679837 0.1017823 0.1619512 0.285341 0.0059532 0.1067352 -0.0008065 0.3496245 -0.6700755 -0.0723602 0.0712469 -0.0977768 -0.8557355 -0.0786397 0.0909934 -0.0672823 -0.7244003 0.3678178 0.0651913 0.0458754 0.0485489 0.3212173 -0.0040287 0.0931408 -0.0004597 0.3315392 0.4812083 0.1100545 -0.1470963 0.1273681 0.3014739 -0.0509645 -0.2125006 -0.0515606 0.4589817 -0.8790748 -0.1226553 0.0026211 -0.1483461 -0.6599865 -0.0804312 0.0053615 -0.0687033 -0.7383802 0.4145921 0.0442397 -0.1374125 0.0281138 0.2332696 -0.0063185 -0.1390023 -0.0540664 0.5959661 0.3134523 0.0522429 0.0147845 0.0482956 0.8315438 -0.0783254 0.0230304 -0.0652946 0.2189161 0.5064227 -0.0698537 0.0749822 -0.0531821 0.2626411 0.0270334 0.0383135 0.061104 0.2867844 162.4945057|-0.9974962|148.0567333|1.341019|-1.2621293|142.6740936 0.000034258 -0.000034817 0.000022875 -0.000010187 0.000014818 0.000012621 0.000007096 0.000013031 0.000006105 -0.000032417 -0.000012284 -0.000008873 -0.000009458 0.000024121 -0.000014312 -0.000000612 0.000009842 0.000000757 -0.000000143 -0.000003595 0.000000702 -0.000000288 -0.000013892 -0.000004084 0.000013794 0.000024501 -0.000008946 0.000007590 -0.000017993 0.000031355 0.000000719 0.000010542 -0.000030893 -0.000001945 0.000006294 0.000019674 -0.000001856 0.000002983 -0.000008376 -0.000002520 -0.000007921 0.000008844 -0.000001361 0.000002248 0.000002491 0.000010114 0.000008594 -0.000007958 -0.000000851 -0.000000999 0.000000634 -0.000006895 0.000004956 0.000006757 0.000009456 0.000000512 -0.000003249 -0.000000818 -0.000003318 -0.000002513 0.000003832 -0.000001986 0.000009662 -0.000005923 0.000000478 -0.000009724 -0.000001532 0.000001152 -0.000008395 -0.000008899 0.000011967 0.000012678 0.000007250 -0.000009804 -0.000012567 0.000002672 0.000000069 -0.000005645 -0.000015924 -0.000001901 0.000008479 -0.000000999 0.000004035 -0.000002801 0.000019255 -0.000009268 -0.000002982 -0.000008463 -0.000019501 -0.000027940 -0.000009135 -0.000000584 0.000006949 0.000005242 0.000010302 -0.000002042 -0.000002797 -0.000004733 0.000000851 0.000012181 -0.000002041 -0.000007158 0.000000585 0.000001770 0.000000905 -0.000007265 0.000005749 -0.000002405 -0.000021644 -0.000010372 -0.000015594 -0.000002221 0.000006519 0.000010757 -0.000008901 0.000012946 -0.000002729 0.000002277 -0.000002433 0.000004251 0.000004451 -0.000009789 -0.000004015 0.000001947 -0.000011726 0.000002223 -0.000001871 -0.000004868 0.000000810 0.000009397 0.000010315 0.000002073 0.000011672 -0.000002778 -0.000007701 -0.000000133 0.000003416 0.000015676 0.000006938 -0.000002358 0.000017337 -0.000005668 -0.000002199 -0.000004566 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9346,.7634,-1.5446;1.8296,-.0442,-2.2929;1.4649,2.0596,-1.3893;-.2899,.8553,-2.3127;.662,.2029,-.2398;-3.3369,1.4304,-1.7025;3.5199,-1.9466,.0778;-1.7947,-1.4689,-1.6305;-1.3273,-.6765,-1.9465;-.0225,2.975,2.6107;-.6873,2.5263,2.0397;-1.0755,-2.0943,-1.4241;.2104,3.7763,2.1321;-2.7079,2.1468,-1.465;-1.9154,1.9627,-1.9903;3.0711,-2.6934,.5687;3.7067,-3.4139,.5956;1.7216,-1.6915,2.9499;1.8149,-.7261,2.8366;2.2597,-2.0675,2.2319;-5.3535,-.685,.5549;-4.4363,-.8561,.8723;-5.6769,.044,1.0917;4.1254,-.7281,-.8577;3.4292,-.5686,-1.5167;4.1993,.1404,-.4023;-1.5083,1.4608,.8851;-2.0161,1.8211,.1171;-.7254,1.0287,.4705;.3843,-2.5591,-.2852;1.3215,-2.8058,-.1876;-.0271,-2.771,.5922;-2.6776,-1.0146,1.0527;-2.3328,-.0996,1.1638;-2.4089,-1.2315,.135;1.9111,.9896,2.0745;1.4728,.7093,1.2399;1.3336,1.6971,2.4249;-.7111,-2.7988,2.1644;-1.4342,-2.159,2.0415;.0269,-2.333,2.6122;3.8764,1.8036,.2568;3.2146,2.1166,-.3785;3.3439,1.615,1.0554;-4.3147,-.0814,-2.0117;-4.824,-.2794,-1.2021;.565,-.7757,-.258;-3.6475,-.7837,-2.0554; Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(BF3H29O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=checkguess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9346,.7634,-1.5446;1.8296,-.0442,-2.2929;1.4649,2.0596,-1.3893;-.2899,.8553,-2.3127;.662,.2029,-.2398;-3.3369,1.4304,-1.7025;3.5199,-1.9466,.0778;-1.7947,-1.4689,-1.6305;-1.3273,-.6765,-1.9465;-.0225,2.975,2.6107;-.6873,2.5263,2.0397;-1.0755,-2.0943,-1.4241;.2104,3.7763,2.1321;-2.7079,2.1468,-1.465;-1.9154,1.9627,-1.9903;3.0711,-2.6934,.5687;3.7067,-3.4139,.5956;1.7216,-1.6915,2.9499;1.8149,-.7261,2.8366;2.2597,-2.0675,2.2319;-5.3535,-.685,.5549;-4.4363,-.8561,.8723;-5.6769,.044,1.0917;4.1254,-.7281,-.8577;3.4292,-.5686,-1.5167;4.1993,.1404,-.4023;-1.5083,1.4608,.8851;-2.0161,1.8211,.1171;-.7254,1.0287,.4705;.3843,-2.5591,-.2852;1.3215,-2.8058,-.1876;-.0271,-2.771,.5922;-2.6776,-1.0146,1.0527;-2.3328,-.0996,1.1638;-2.4089,-1.2315,.135;1.9111,.9896,2.0745;1.4728,.7093,1.2399;1.3336,1.6971,2.4249;-.7111,-2.7988,2.1644;-1.4342,-2.159,2.0415;.0269,-2.333,2.6122;3.8764,1.8036,.2568;3.2146,2.1166,-.3785;3.3439,1.615,1.0554;-4.3147,-.0814,-2.0117;-4.824,-.2794,-1.2021;.565,-.7757,-.258;-3.6475,-.7837,-2.0554; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/gas/CONF27/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 14H2OBF3OH CONF27 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 611 A 592 A 592 916 611 91 91 2096.5442444967 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0592556983 0.000000 1.418939 0.000000 1.409089 2.318579 0.000000 1.448391 2.302602 2.320020 0.000000 1.446023 2.374773 2.326719 2.372511 0.000000 4.326170 5.405209 4.853053 3.160283 4.431501 0.000000 4.081669 3.477951 4.735493 5.299029 3.590030 7.847907 0.000000 3.526949 3.950152 4.809734 2.851605 3.280855 3.284742 5.602758 0.000000 2.711281 3.238193 3.948847 1.885932 2.764685 2.921798 5.404290 0.972719 0.000000 4.803462 6.049084 4.364645 5.366925 4.034685 5.654608 6.571653 6.393420 5.983582 0.000000 4.311020 5.631477 4.075248 4.678971 3.523477 4.714359 6.446399 5.536882 5.153271 0.984572 0.000000 3.495967 3.660226 4.869345 3.179207 3.114270 4.197087 4.836834 0.975214 1.531898 6.564035 5.787772 0.000000 4.808272 6.066190 4.113478 5.342113 4.312671 5.726353 6.922713 6.759349 6.231065 0.961939 1.541775 6.983144 0.000000 3.897154 5.106388 4.174425 2.869365 4.078782 0.982573 7.610614 3.732929 3.179444 4.950507 4.063105 4.544684 4.910214 0.000000 3.124004 4.259646 3.434716 1.993109 3.578337 1.544980 7.007283 3.452523 2.704270 5.077025 4.250410 4.181616 4.980146 0.968451 0.000000 4.580450 4.092467 5.385632 5.673854 3.853024 7.951578 1.000076 5.478305 5.453494 6.772865 6.598090 4.639451 7.244641 7.807745 7.286529 0.000000 5.451176 4.818904 6.239009 6.531285 4.800935 8.852208 1.567220 6.245284 6.268749 7.667230 7.528517 5.356271 8.141488 8.735841 8.197755 0.961146 0.000000 5.181317 5.496525 5.741527 6.182792 3.858128 7.548478 3.398218 5.778668 5.856641 4.993352 4.941750 5.207437 5.731412 7.337824 7.140446 2.914631 3.528440 0.000000 4.710434 5.174633 5.073531 5.783262 3.414110 7.196897 3.465204 5.790965 5.723083 4.138298 4.180197 5.327278 4.831359 6.871137 6.666590 3.254507 3.978105 0.976509 0.000000 4.902236 4.975180 5.547792 5.974682 3.717042 7.683584 2.498574 5.631531 5.679838 5.547929 5.461218 4.948783 6.193518 7.490295 7.176428 1.953545 2.565916 0.972868 1.537198 0.000000 6.785737 7.753586 7.602919 6.019623 6.132455 3.692860 8.975382 4.249227 4.739972 6.785382 5.855776 4.919823 7.303979 4.370159 5.030792 8.660800 9.462395 7.537020 7.522943 7.917431 0.000000 6.108306 7.066837 6.960009 5.501494 5.324640 3.614782 8.069850 3.690278 4.200492 6.097611 5.182473 4.254702 6.681192 4.179493 4.742947 7.735007 8.539803 6.552414 6.553876 6.939251 0.985565 0.000000 7.153980 8.234743 7.824590 6.424007 6.479220 3.899391 9.464222 4.977010 5.354283 6.547538 5.652992 5.663456 7.047932 4.446754 5.227726 9.181228 10.012737 7.823187 7.730771 8.291461 0.961275 1.548277 0.000000 3.588593 2.792565 3.890023 4.911174 3.639175 7.814085 1.651198 6.016111 5.560644 6.553483 6.492152 5.407128 6.674976 7.438304 6.709324 2.647371 3.082395 4.604779 4.357303 3.849721 9.583758 8.735768 10.024073 0.000000 2.828152 1.853704 3.283684 4.061187 3.143756 7.057742 2.109368 5.302108 4.777136 6.442667 6.258802 4.756961 6.523278 6.711243 5.932720 2.998656 3.554534 4.911977 4.645686 4.203173 9.024543 8.225436 9.492152 0.971867 0.000000 3.514455 3.037105 3.483434 4.930906 3.541577 7.755634 2.246719 6.326622 5.796169 5.910773 5.961116 5.819094 5.962716 7.270797 6.575124 3.200999 3.724529 4.553284 4.114231 3.946676 9.636133 8.785948 9.989066 0.983426 1.528991 0.000000 3.515282 4.848323 3.790991 3.475151 2.749186 3.168662 6.127358 3.872029 3.552191 2.734630 1.772677 4.261261 3.141782 2.726225 2.947084 6.190999 7.144404 4.963089 4.431071 5.334849 4.415762 3.733806 4.407626 6.290254 5.853762 5.998150 0.000000 3.547724 4.906834 3.800484 3.133103 3.149346 2.282200 6.696563 3.731888 3.312191 3.394618 2.441090 4.311707 3.583309 1.757179 2.114551 6.816481 7.770746 5.859421 5.344153 6.154343 4.196503 3.687193 4.184454 6.720624 6.166994 6.459547 0.988642 0.000000 2.624181 3.913502 3.052707 2.822359 1.763933 3.421041 5.198942 3.434433 3.018550 2.976986 2.169418 3.669548 3.344509 2.987713 2.888568 5.317652 6.276625 4.419791 3.889834 4.647584 4.935972 4.181547 5.086581 5.327361 4.874572 5.079723 0.985657 1.555192 0.000000 3.595620 3.527695 4.870324 4.027926 2.776311 5.636772 3.215402 2.783261 3.038784 6.259284 5.693398 1.908986 6.783156 5.753269 5.351969 2.822421 3.541823 3.606460 3.892569 3.177164 6.094388 5.242067 6.738732 4.204342 3.840614 4.675016 4.594692 5.011028 3.830840 0.000000 3.838068 3.509546 5.013720 4.529565 3.080555 6.476258 2.375195 3.685112 3.826791 6.561624 6.117778 2.789414 7.066789 6.511282 6.038753 1.909372 2.583052 3.353397 3.703278 2.697973 7.043154 6.170747 7.663933 3.553580 3.348738 4.124112 5.230889 5.713216 4.396202 0.974022 0.000000 4.240634 4.382525 5.430250 4.653813 3.164015 5.820031 3.677690 3.124147 3.538751 6.090237 5.531004 2.371199 6.730123 5.966903 5.713431 3.099275 3.788717 3.127553 3.551300 2.900480 5.720517 4.815295 6.331983 4.849652 4.609145 5.227634 4.493053 5.026848 3.865275 0.991952 1.558219 0.000000 4.791102 5.696399 5.707393 4.530241 3.782267 3.742156 6.342518 2.860953 3.306400 5.039207 4.180054 3.141161 5.697208 4.041529 4.324902 6.008342 6.835521 4.838396 4.842302 5.184201 2.741783 1.775098 3.180898 7.071936 6.640304 7.123394 2.742728 3.058417 2.885325 3.681119 4.554054 3.212792 0.000000 4.330832 5.410877 5.060007 4.143839 3.321247 3.400748 6.232560 3.157899 3.319266 4.109058 3.220266 3.500994 4.735870 3.478180 3.791544 6.023651 6.912512 4.707664 4.515986 5.109266 3.136603 2.254338 3.347956 6.796340 6.372316 6.721550 1.786706 2.210225 2.082725 3.941008 4.743815 3.574804 0.984042 0.000000 4.240251 5.026874 5.306756 3.851789 3.410059 3.365013 5.972061 1.884326 2.410511 5.433051 4.551034 2.225656 5.993885 3.749973 3.868251 5.688259 6.509676 5.019550 5.039285 5.185736 3.024206 2.189760 3.636159 6.628471 6.103412 6.770507 2.936263 3.077783 2.838178 3.121145 4.061883 2.872690 0.980424 1.531390 0.000000 3.755289 4.488811 3.652635 4.910147 2.744971 6.480873 3.898208 5.788182 5.425025 2.822850 3.019008 5.538057 3.265177 5.933100 5.666671 4.144563 4.980161 2.826716 1.879763 3.080925 7.608424 6.718737 7.709577 4.056004 4.198778 3.477304 3.650882 4.466007 3.086298 4.526847 4.457510 4.482788 5.110423 4.475076 5.230367 0.000000 2.836501 3.629833 2.955655 3.968513 1.761602 5.684288 3.548927 4.864116 4.462488 3.041144 2.933784 4.631519 3.434518 5.182723 4.846103 3.818865 4.733553 2.958022 2.174146 3.051913 7.000873 6.124015 7.182121 3.674552 3.613838 3.233333 3.094757 3.829990 2.350730 3.767419 3.796932 3.844696 4.498042 3.891377 4.478274 0.983462 0.000000 4.097306 5.053339 3.833650 5.078327 3.128029 6.238682 4.854413 6.021286 5.641243 1.872644 2.218159 5.915570 2.381245 5.627366 5.488233 5.073577 5.924569 3.450907 2.504588 3.881669 7.340967 6.497848 7.325168 4.944813 5.006199 4.316110 3.240935 4.069625 2.916524 5.134359 5.205930 5.017406 5.032510 4.273355 5.275110 0.978205 1.549017 0.000000 5.399418 5.823207 6.400593 5.794292 4.083524 6.303465 4.793877 4.164553 4.667215 5.831815 5.326548 3.675055 6.639399 6.451217 6.432979 4.106385 4.728218 2.785844 3.335944 3.060215 5.348944 4.395559 5.821609 6.067315 5.972116 6.272077 4.518368 5.218939 4.185585 2.693982 3.108558 1.714707 2.878578 3.303994 3.075261 4.608178 4.234462 4.945879 0.000000 5.197260 5.823347 6.162145 5.417975 3.895731 5.524672 5.333288 3.753598 4.255960 5.354916 4.744435 3.484695 6.159608 5.697185 5.785799 4.769940 5.485764 3.316992 3.638942 3.699908 4.443483 3.475294 4.874026 6.431311 6.232402 6.557125 3.800726 4.459047 3.623827 2.979986 3.602894 2.110621 1.957943 2.412244 2.333461 4.594052 4.161769 4.762087 0.973250 0.000000 5.262193 5.705119 6.113521 5.875420 3.868836 6.640450 4.332858 4.697378 5.035853 5.308243 4.944721 4.190966 6.130855 6.646156 6.588533 3.684179 4.333112 1.843196 2.414401 2.280460 5.991512 5.012903 6.363609 5.604795 5.633565 5.710896 4.442116 5.258871 4.056363 2.928113 3.120655 2.067652 3.388900 3.557252 3.644601 3.857272 3.637237 4.240781 0.980918 1.578217 0.000000 3.602912 3.755624 2.930911 4.985918 3.625034 7.483995 3.771296 6.814054 6.171178 4.702611 4.952604 6.522271 4.565905 6.814311 6.214450 4.579133 5.231236 4.910311 4.159812 4.636790 9.564161 8.749521 9.749794 2.777289 2.995475 1.817896 5.432046 5.894137 4.671422 5.614400 5.288777 6.022967 7.178408 6.557350 6.980767 2.798017 2.817979 3.343293 6.772371 6.862137 6.121872 0.000000 2.896404 3.201944 2.021413 4.196814 3.193300 6.719086 4.100135 6.286142 5.557751 4.488959 4.608689 6.101644 4.252325 6.021351 5.379404 4.904517 5.637220 5.273411 4.514072 5.023245 9.062706 8.302901 9.247466 3.025184 2.924461 2.208099 4.932780 5.262372 4.174617 5.466439 5.277367 5.944706 6.824216 6.169594 6.564826 2.997736 2.762863 3.401920 6.785130 6.763736 6.237353 0.969346 0.000000 3.645490 4.032009 3.115195 5.012518 3.296053 7.230039 3.697513 6.567249 6.006836 3.949870 4.248524 6.279961 3.955883 6.577142 6.087438 4.344398 5.062936 4.141748 3.315315 4.015064 9.010320 8.165293 9.156654 3.124201 3.375125 2.242994 4.857639 5.445365 4.152681 5.289592 5.017834 5.551135 6.570599 5.930998 6.484150 1.866206 2.086945 2.433840 6.095424 6.168108 5.386354 0.978151 1.524565 0.000000 5.337379 6.150905 6.194871 4.143370 5.290452 1.826831 8.320247 2.901929 3.046815 7.009359 6.030889 3.858762 7.247759 2.801098 3.152135 8.248166 9.069023 7.977890 7.841815 8.073175 2.833826 2.988744 3.391483 8.543233 7.775065 8.667695 4.318063 3.665431 4.503026 5.585819 6.520540 5.691957 3.597420 3.743287 3.092451 7.523617 6.685331 7.399394 6.148967 5.389104 6.730549 8.705972 8.011828 8.422564 0.000000 5.862233 6.746491 6.712417 4.804030 5.590605 2.320576 8.604517 3.282527 3.596978 6.941346 5.957567 4.170668 7.273968 3.230106 3.756082 8.443685 9.264401 7.878906 7.783651 8.072685 1.879342 2.187744 2.468527 8.967265 8.264253 9.068397 4.286966 3.746568 4.615976 5.758850 6.721546 5.695423 3.198680 3.440313 2.920080 7.596526 6.825692 7.414721 5.881849 5.054173 6.503653 9.064394 8.428363 8.683257 0.976680 0.000000 2.039807 2.505005 3.182603 2.759131 0.983557 4.709403 3.196124 2.816368 2.538006 4.758446 4.213173 2.406149 5.153563 4.550795 4.080697 3.262178 4.190365 3.530864 3.337883 3.277280 5.974788 5.128115 6.438541 3.610914 3.135468 3.750824 3.256850 3.680504 2.334910 1.792759 2.167628 2.248245 3.505577 3.297862 3.034180 3.220072 2.296349 3.728814 3.404266 3.346317 3.309528 4.228850 3.924354 3.893973 5.231556 5.493484 0.000000 4.863115 5.531873 5.887701 3.745105 4.779305 2.263418 7.567983 2.020654 2.325192 7.002893 6.040526 2.954944 7.294654 3.133597 3.247625 7.461438 8.248043 7.396224 7.333002 7.411103 3.119962 3.033078 3.835101 7.864863 7.100439 8.072127 4.273184 3.763821 4.266586 4.747810 5.680592 4.905812 3.264104 3.543981 2.555931 7.148301 6.269397 7.144192 5.521758 4.855430 6.139120 8.285454 7.636199 8.019357 0.969697 1.538364 4.579910 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7322,-1.6017,-.9321;-1.5515,-1.4002,-2.073;-1.2488,-2.648,-.1424;.5749,-1.9931,-1.4181;-.6251,-.4065,-.1252;3.5422,-1.8991,-.3348;-3.5463,1.3349,-1.2752;1.9397,.4457,-1.9852;1.5294,-.427,-1.8575;-.2163,-1.1399,3.8212;.5004,-1.0172,3.1573;1.1881,1.0229,-2.2151;-.3747,-2.0886,3.838;2.9055,-2.423,.1995;2.1755,-2.6159,-.407;-3.1738,2.262,-1.2337;-3.8236,2.8291,-1.6579;-2.0884,2.8143,1.4144;-2.1471,1.9361,1.8374;-2.5476,2.6991,.5644;5.237,1.2547,.5701;4.2856,1.4947,.6633;5.5115,.9589,1.4426;-4.0127,-.2401,-1.4443;-3.2414,-.6723,-1.8479;-4.1202,-.7291,-.5979;1.4267,-.6791,1.6842;2.0278,-1.3537,1.2831;.688,-.6037,1.036;-.4038,1.9077,-1.6429;-1.3511,2.091,-1.776;-.1017,2.5914,-.9908;2.5148,1.5819,.5767;2.1793,.8466,1.138;2.3498,1.2476,-.3301;-2.1171,.0791,2.1272;-1.591,-.0999,1.3157;-1.569,-.2785,2.8543;.3944,3.5172,.3646;1.1406,2.9733,.6723;-.3803,3.308,.9286;-3.84,-1.7424,.8852;-3.1023,-2.2934,.5822;-3.408,-1.1108,1.4945;4.5164,-.7185,-1.332;4.9238,-.0749,-.7206;-.5478,.4121,-.6648;3.8437,-.2074,-1.808; 0.2689618 0.1676373 0.1537954 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 592 RedAO= T EigKep= 8.91D-05 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 604 604 604 604 604 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.39335922650 -1471.39335923 1 1.466797014454e+03 -7.699478710469e+03 2.664803347990e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT207.200S Tue Nov 5 23:38:06 2024 -24.54845 -24.54357 -24.54306 -19.04662 -19.04057 -19.04023 -19.03778 -19.03545 -19.03296 -19.02689 -19.02551 -19.02499 -19.02487 -19.02428 -19.02205 -19.02085 -19.01407 -19.01205 -6.75701 -1.09845 -1.05630 -1.05535 -0.94198 -0.93803 -0.93414 -0.93070 -0.92482 -0.92196 -0.92071 -0.91993 -0.91291 -0.91283 -0.90655 -0.90399 -0.90287 -0.89621 -0.89261 -0.47884 -0.46089 -0.45780 -0.45418 -0.45356 -0.44814 -0.44332 -0.44110 -0.43745 -0.43516 -0.43363 -0.43244 -0.42938 -0.42776 -0.42175 -0.41675 -0.40204 -0.39699 -0.35465 -0.35124 -0.34252 -0.33483 -0.32593 -0.32288 -0.32199 -0.31783 -0.31405 -0.31040 -0.30635 -0.30359 -0.29977 -0.29874 -0.29372 -0.28766 -0.28309 -0.27700 -0.27450 -0.27006 -0.25834 -0.24468 -0.24181 -0.23779 -0.23672 -0.23210 -0.23039 -0.22978 -0.22765 -0.22539 -0.22503 -0.22169 -0.21656 -0.21594 -0.21448 -0.20565 0.08069 0.09811 0.10192 0.11603 0.12618 0.13589 0.14776 0.15504 0.16046 0.16686 0.17617 0.18353 0.19216 0.19633 0.19989 0.20582 0.21091 0.21604 0.21685 0.21974 0.22428 0.23207 0.23705 0.23843 0.24377 0.24595 0.24875 0.25498 0.25686 0.26135 0.26574 0.27017 0.27420 0.27587 0.27973 0.28027 0.28391 0.28643 0.29047 0.29540 0.29622 0.30255 0.30735 0.30937 0.31371 0.31639 0.31972 0.32358 0.32576 0.32866 0.33173 0.33710 0.33939 0.34104 0.34350 0.34512 0.34995 0.35307 0.35522 0.35764 0.35924 0.36440 0.36513 0.36654 0.36896 0.37044 0.37200 0.37675 0.37895 0.38557 0.38750 0.39037 0.39236 0.39381 0.39927 0.40767 0.42134 0.42482 0.42812 0.43725 0.44445 0.44808 0.45184 0.45489 0.46986 0.47477 0.48153 0.48688 0.49701 0.49914 0.50424 0.51666 0.52994 0.53882 0.55124 0.55805 0.56467 0.57107 0.57651 0.58512 0.59333 0.59813 0.60279 0.60796 0.61371 0.62079 0.62679 0.62806 0.63167 0.63743 0.64092 0.64357 0.64946 0.65607 0.66114 0.66995 0.67272 0.68062 0.68298 0.68486 0.69567 0.69672 0.70874 0.71489 0.71976 0.72667 0.73272 0.73730 0.73935 0.74594 0.75148 0.75410 0.76876 0.77740 0.78804 0.79454 0.81489 0.82303 0.82905 0.83876 0.87211 0.92464 1.01724 1.03182 1.04601 1.05008 1.05683 1.06646 1.06763 1.07509 1.08660 1.08752 1.09133 1.09537 1.09987 1.10862 1.11411 1.11730 1.12274 1.12409 1.13362 1.13885 1.14104 1.14295 1.14620 1.15956 1.16215 1.16692 1.17334 1.17654 1.17997 1.18945 1.19352 1.20698 1.21057 1.21486 1.21586 1.22087 1.22570 1.22696 1.23287 1.24574 1.25932 1.27341 1.28870 1.30961 1.32568 1.33685 1.34544 1.35112 1.35374 1.36288 1.36713 1.36962 1.37454 1.38460 1.39321 1.39611 1.40592 1.41324 1.41729 1.42366 1.43684 1.43993 1.44130 1.45151 1.45663 1.45907 1.46749 1.46973 1.47378 1.48202 1.49126 1.49873 1.49904 1.50916 1.51119 1.51926 1.52807 1.53593 1.53968 1.54557 1.55532 1.55718 1.56036 1.57155 1.57866 1.58912 1.59031 1.60725 1.60869 1.61731 1.62643 1.63312 1.63725 1.63942 1.65041 1.65614 1.66884 1.67452 1.67930 1.68798 1.69594 1.70740 1.71155 1.72013 1.72606 1.73519 1.74897 1.75699 1.76346 1.77696 1.78434 1.79051 1.79613 1.79827 1.81802 1.82351 1.83110 1.84023 1.84509 1.85618 1.85734 1.87385 1.88578 1.89134 1.89467 1.91963 1.92863 1.93732 1.94578 1.96037 1.97371 2.03011 2.10484 2.10646 2.12147 2.14153 2.19143 2.24010 2.24416 2.25887 2.27137 2.28333 2.29326 2.30404 2.32232 2.33498 2.35416 2.35967 2.36347 2.37904 2.38379 2.39764 2.41554 2.41805 2.44146 2.44884 2.45594 2.46654 2.48785 2.49493 2.51144 2.52315 2.52686 2.54846 2.57915 2.59164 2.59885 2.60627 2.64005 2.66219 2.72925 2.73271 2.73569 2.76346 2.77590 2.78669 2.79420 2.80344 2.80779 2.81159 2.82209 2.82735 2.84033 2.84947 2.85363 2.86133 2.88072 2.89411 2.91005 2.92288 2.93576 2.94930 2.96403 2.97358 3.00701 3.05718 3.15638 3.16557 3.17509 3.17525 3.18028 3.18569 3.19731 3.20217 3.20555 3.20772 3.21335 3.21637 3.22194 3.22475 3.22754 3.23062 3.23964 3.24211 3.24860 3.26092 3.26263 3.27459 3.27564 3.28219 3.28873 3.29024 3.29123 3.30424 3.30524 3.31200 3.34283 3.39376 3.39919 3.40513 3.42097 3.42580 3.43480 3.44189 3.44354 3.44977 3.45402 3.46274 3.46558 3.48394 3.49158 3.66589 3.76854 3.78791 3.79531 3.80203 3.80751 3.81482 3.81929 3.82378 3.83861 3.84949 3.85962 3.86328 3.87461 3.88372 3.89339 3.90840 3.91928 3.93380 3.95887 3.96352 3.98611 3.98693 3.99788 3.99882 4.00181 4.01402 4.01862 4.02066 4.03095 4.03758 4.04345 4.04649 4.05316 4.06348 4.07576 4.08421 4.10418 4.12633 4.19444 4.32501 4.34072 4.49783 4.75491 4.77228 5.09474 5.09895 5.10753 5.11920 5.12574 5.13284 5.13767 5.14145 5.15199 5.17206 5.21258 5.23229 5.30453 5.32953 5.37167 5.44103 5.46357 5.47478 5.48539 5.49171 5.51118 5.52639 5.53568 5.54943 5.55900 5.56168 5.58126 5.59177 5.60706 5.63643 5.72635 5.73867 5.74416 5.74736 5.75435 5.77256 5.77344 5.77848 5.78361 5.80036 5.81502 5.82422 5.83710 5.84567 5.89777 6.46969 6.50129 6.52531 6.54511 6.57074 6.58339 6.62280 6.74289 6.79950 14.69354 49.95969 49.97943 49.99335 50.00553 50.01251 50.02123 50.02400 50.02977 50.03639 50.04031 50.04433 50.04956 50.06712 50.08587 50.10677 66.95109 66.96885 66.97532 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 0.987960 -0.421495 -0.406951 -0.443591 -0.928524 0.377440 0.413452 -0.631692 0.244410 -0.621782 0.373841 0.374221 0.234204 -0.641511 0.270624 -0.769801 0.285426 -0.679345 0.365504 0.339116 -0.653466 0.374858 0.247654 -0.643612 0.264621 0.373247 -0.823769 0.424956 0.347234 -0.817851 0.364137 0.401976 -0.719004 0.371884 0.325643 -0.847641 0.395052 0.426687 -0.687691 0.340859 0.366421 -0.648231 0.275811 0.365459 -0.661174 0.374775 0.438616 0.301040 -1.00000 -0.4173 0.0875 0.3869 0.5758 -179.2402 -160.0461 -144.6619 -7.1694 14.8559 -12.3830 -17.9241 1.2699 16.6542 -7.1694 14.8559 -12.3830 -51.0650 -65.4530 -33.4036 -36.7600 51.2744 41.2476 14.7054 -4.7927 -15.5768 25.6766 -6440.3247 -2907.1549 -2207.5469 -287.8636 421.6553 -37.7869 -140.6903 65.1057 -55.8640 -1482.5647 -1230.0678 -705.5994 -74.9237 84.7525 20.9366 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GANDULLAS LAMSABHI 05-Nov-2024 0 Wavefunction 14H2OBF3OH CONF27 gas -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.3933592 RMSD=2.146e-09 Dipole=0.1471954,0.0504604,0.1646382 Quadrupole=-12.1514915,13.1856958,-1.0342044,-10.9020179,-7.6546575,7.8939343 PG=C01 [X(B1F3H29O15)] 0 0.9345973601 0.7634409151 -1.544571854 0 1.8296146353 -0.0442308534 -2.2929020028 0 1.4649462102 2.0596463033 -1.389282876 0 -0.2899005469 0.8553466647 -2.3126834212 0 0.6620415735 0.2028656229 -0.239791245 0 -3.3369331608 1.4303946662 -1.7025208922 0 3.5199093153 -1.9465642835 0.0777882889 0 -1.7946515739 -1.468864922 -1.6304701627 0 -1.3273101093 -0.6764530151 -1.9464731987 0 -0.022548457 2.9750398901 2.6106591669 0 -0.6873342575 2.5262710789 2.0396522767 0 -1.0754637888 -2.0943427788 -1.4241004946 0 0.2104208252 3.776296479 2.1320771712 0 -2.7078815557 2.1468474283 -1.4649511174 0 -1.9153930611 1.9627355202 -1.9902718394 0 3.0711439418 -2.6933991105 0.5687060187 0 3.7066964381 -3.4139191349 0.5956274463 0 1.7215855584 -1.6914891218 2.9498702996 0 1.814904229 -0.7260721967 2.8365917297 0 2.2597191376 -2.0675100724 2.2318926218 0 -5.3535466312 -0.6849548234 0.5548621537 0 -4.4363467398 -0.8560850442 0.8723481452 0 -5.6769024024 0.0439568449 1.0916841063 0 4.1254483772 -0.7280733756 -0.8576570374 0 3.4292372553 -0.5686406201 -1.5167449411 0 4.199336783 0.1404490774 -0.4023155618 0 -1.5083096847 1.4607539828 0.8850716162 0 -2.0160745933 1.8210995979 0.1171266771 0 -0.7253735806 1.0287283056 0.470482475 0 0.3843369504 -2.5591491645 -0.2851698984 0 1.3215394777 -2.8058138458 -0.1875669912 0 -0.0270704781 -2.7709954356 0.5922322087 0 -2.67755783 -1.0145909378 1.0526558579 0 -2.3328044665 -0.0996429025 1.1638000442 0 -2.408906759 -1.2314587443 0.1350361285 0 1.9110814927 0.9895752807 2.074480548 0 1.4727960165 0.7093272725 1.2398759741 0 1.3336317792 1.6971222789 2.4249281306 0 -0.7110759276 -2.7987639126 2.164359437 0 -1.4341527809 -2.1590164845 2.0414814705 0 0.0269255092 -2.3329721959 2.6122335772 0 3.8763811732 1.8035752773 0.2568175195 0 3.2145638619 2.1166460879 -0.378490301 0 3.3438914705 1.6150299376 1.0553690935 0 -4.3147459157 -0.0814268212 -2.0116956088 0 -4.8239584853 -0.2794100103 -1.2021224601 0 0.564987783 -0.7757213907 -0.2580337461 0 -3.6474710352 -0.7836670021 -2.0554489243 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(BF3H29O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=checkguess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9346,.7634,-1.5446;1.8296,-.0442,-2.2929;1.4649,2.0596,-1.3893;-.2899,.8553,-2.3127;.662,.2029,-.2398;-3.3369,1.4304,-1.7025;3.5199,-1.9466,.0778;-1.7947,-1.4689,-1.6305;-1.3273,-.6765,-1.9465;-.0225,2.975,2.6107;-.6873,2.5263,2.0397;-1.0755,-2.0943,-1.4241;.2104,3.7763,2.1321;-2.7079,2.1468,-1.465;-1.9154,1.9627,-1.9903;3.0711,-2.6934,.5687;3.7067,-3.4139,.5956;1.7216,-1.6915,2.9499;1.8149,-.7261,2.8366;2.2597,-2.0675,2.2319;-5.3535,-.685,.5549;-4.4363,-.8561,.8723;-5.6769,.044,1.0917;4.1254,-.7281,-.8577;3.4292,-.5686,-1.5167;4.1993,.1404,-.4023;-1.5083,1.4608,.8851;-2.0161,1.8211,.1171;-.7254,1.0287,.4705;.3843,-2.5591,-.2852;1.3215,-2.8058,-.1876;-.0271,-2.771,.5922;-2.6776,-1.0146,1.0527;-2.3328,-.0996,1.1638;-2.4089,-1.2315,.135;1.9111,.9896,2.0745;1.4728,.7093,1.2399;1.3336,1.6971,2.4249;-.7111,-2.7988,2.1644;-1.4342,-2.159,2.0415;.0269,-2.333,2.6122;3.8764,1.8036,.2568;3.2146,2.1166,-.3785;3.3439,1.615,1.0554;-4.3147,-.0814,-2.0117;-4.824,-.2794,-1.2021;.565,-.7757,-.258;-3.6475,-.7837,-2.0554; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/gas/CONF27/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 14H2OBF3OH CONF27 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 611 A 592 A 592 916 611 91 91 2096.5442444967 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0592556983 0.000000 1.418939 0.000000 1.409089 2.318579 0.000000 1.448391 2.302602 2.320020 0.000000 1.446023 2.374773 2.326719 2.372511 0.000000 4.326170 5.405209 4.853053 3.160283 4.431501 0.000000 4.081669 3.477951 4.735493 5.299029 3.590030 7.847907 0.000000 3.526949 3.950152 4.809734 2.851605 3.280855 3.284742 5.602758 0.000000 2.711281 3.238193 3.948847 1.885932 2.764685 2.921798 5.404290 0.972719 0.000000 4.803462 6.049084 4.364645 5.366925 4.034685 5.654608 6.571653 6.393420 5.983582 0.000000 4.311020 5.631477 4.075248 4.678971 3.523477 4.714359 6.446399 5.536882 5.153271 0.984572 0.000000 3.495967 3.660226 4.869345 3.179207 3.114270 4.197087 4.836834 0.975214 1.531898 6.564035 5.787772 0.000000 4.808272 6.066190 4.113478 5.342113 4.312671 5.726353 6.922713 6.759349 6.231065 0.961939 1.541775 6.983144 0.000000 3.897154 5.106388 4.174425 2.869365 4.078782 0.982573 7.610614 3.732929 3.179444 4.950507 4.063105 4.544684 4.910214 0.000000 3.124004 4.259646 3.434716 1.993109 3.578337 1.544980 7.007283 3.452523 2.704270 5.077025 4.250410 4.181616 4.980146 0.968451 0.000000 4.580450 4.092467 5.385632 5.673854 3.853024 7.951578 1.000076 5.478305 5.453494 6.772865 6.598090 4.639451 7.244641 7.807745 7.286529 0.000000 5.451176 4.818904 6.239009 6.531285 4.800935 8.852208 1.567220 6.245284 6.268749 7.667230 7.528517 5.356271 8.141488 8.735841 8.197755 0.961146 0.000000 5.181317 5.496525 5.741527 6.182792 3.858128 7.548478 3.398218 5.778668 5.856641 4.993352 4.941750 5.207437 5.731412 7.337824 7.140446 2.914631 3.528440 0.000000 4.710434 5.174633 5.073531 5.783262 3.414110 7.196897 3.465204 5.790965 5.723083 4.138298 4.180197 5.327278 4.831359 6.871137 6.666590 3.254507 3.978105 0.976509 0.000000 4.902236 4.975180 5.547792 5.974682 3.717042 7.683584 2.498574 5.631531 5.679838 5.547929 5.461218 4.948783 6.193518 7.490295 7.176428 1.953545 2.565916 0.972868 1.537198 0.000000 6.785737 7.753586 7.602919 6.019623 6.132455 3.692860 8.975382 4.249227 4.739972 6.785382 5.855776 4.919823 7.303979 4.370159 5.030792 8.660800 9.462395 7.537020 7.522943 7.917431 0.000000 6.108306 7.066837 6.960009 5.501494 5.324640 3.614782 8.069850 3.690278 4.200492 6.097611 5.182473 4.254702 6.681192 4.179493 4.742947 7.735007 8.539803 6.552414 6.553876 6.939251 0.985565 0.000000 7.153980 8.234743 7.824590 6.424007 6.479220 3.899391 9.464222 4.977010 5.354283 6.547538 5.652992 5.663456 7.047932 4.446754 5.227726 9.181228 10.012737 7.823187 7.730771 8.291461 0.961275 1.548277 0.000000 3.588593 2.792565 3.890023 4.911174 3.639175 7.814085 1.651198 6.016111 5.560644 6.553483 6.492152 5.407128 6.674976 7.438304 6.709324 2.647371 3.082395 4.604779 4.357303 3.849721 9.583758 8.735768 10.024073 0.000000 2.828152 1.853704 3.283684 4.061187 3.143756 7.057742 2.109368 5.302108 4.777136 6.442667 6.258802 4.756961 6.523278 6.711243 5.932720 2.998656 3.554534 4.911977 4.645686 4.203173 9.024543 8.225436 9.492152 0.971867 0.000000 3.514455 3.037105 3.483434 4.930906 3.541577 7.755634 2.246719 6.326622 5.796169 5.910773 5.961116 5.819094 5.962716 7.270797 6.575124 3.200999 3.724529 4.553284 4.114231 3.946676 9.636133 8.785948 9.989066 0.983426 1.528991 0.000000 3.515282 4.848323 3.790991 3.475151 2.749186 3.168662 6.127358 3.872029 3.552191 2.734630 1.772677 4.261261 3.141782 2.726225 2.947084 6.190999 7.144404 4.963089 4.431071 5.334849 4.415762 3.733806 4.407626 6.290254 5.853762 5.998150 0.000000 3.547724 4.906834 3.800484 3.133103 3.149346 2.282200 6.696563 3.731888 3.312191 3.394618 2.441090 4.311707 3.583309 1.757179 2.114551 6.816481 7.770746 5.859421 5.344153 6.154343 4.196503 3.687193 4.184454 6.720624 6.166994 6.459547 0.988642 0.000000 2.624181 3.913502 3.052707 2.822359 1.763933 3.421041 5.198942 3.434433 3.018550 2.976986 2.169418 3.669548 3.344509 2.987713 2.888568 5.317652 6.276625 4.419791 3.889834 4.647584 4.935972 4.181547 5.086581 5.327361 4.874572 5.079723 0.985657 1.555192 0.000000 3.595620 3.527695 4.870324 4.027926 2.776311 5.636772 3.215402 2.783261 3.038784 6.259284 5.693398 1.908986 6.783156 5.753269 5.351969 2.822421 3.541823 3.606460 3.892569 3.177164 6.094388 5.242067 6.738732 4.204342 3.840614 4.675016 4.594692 5.011028 3.830840 0.000000 3.838068 3.509546 5.013720 4.529565 3.080555 6.476258 2.375195 3.685112 3.826791 6.561624 6.117778 2.789414 7.066789 6.511282 6.038753 1.909372 2.583052 3.353397 3.703278 2.697973 7.043154 6.170747 7.663933 3.553580 3.348738 4.124112 5.230889 5.713216 4.396202 0.974022 0.000000 4.240634 4.382525 5.430250 4.653813 3.164015 5.820031 3.677690 3.124147 3.538751 6.090237 5.531004 2.371199 6.730123 5.966903 5.713431 3.099275 3.788717 3.127553 3.551300 2.900480 5.720517 4.815295 6.331983 4.849652 4.609145 5.227634 4.493053 5.026848 3.865275 0.991952 1.558219 0.000000 4.791102 5.696399 5.707393 4.530241 3.782267 3.742156 6.342518 2.860953 3.306400 5.039207 4.180054 3.141161 5.697208 4.041529 4.324902 6.008342 6.835521 4.838396 4.842302 5.184201 2.741783 1.775098 3.180898 7.071936 6.640304 7.123394 2.742728 3.058417 2.885325 3.681119 4.554054 3.212792 0.000000 4.330832 5.410877 5.060007 4.143839 3.321247 3.400748 6.232560 3.157899 3.319266 4.109058 3.220266 3.500994 4.735870 3.478180 3.791544 6.023651 6.912512 4.707664 4.515986 5.109266 3.136603 2.254338 3.347956 6.796340 6.372316 6.721550 1.786706 2.210225 2.082725 3.941008 4.743815 3.574804 0.984042 0.000000 4.240251 5.026874 5.306756 3.851789 3.410059 3.365013 5.972061 1.884326 2.410511 5.433051 4.551034 2.225656 5.993885 3.749973 3.868251 5.688259 6.509676 5.019550 5.039285 5.185736 3.024206 2.189760 3.636159 6.628471 6.103412 6.770507 2.936263 3.077783 2.838178 3.121145 4.061883 2.872690 0.980424 1.531390 0.000000 3.755289 4.488811 3.652635 4.910147 2.744971 6.480873 3.898208 5.788182 5.425025 2.822850 3.019008 5.538057 3.265177 5.933100 5.666671 4.144563 4.980161 2.826716 1.879763 3.080925 7.608424 6.718737 7.709577 4.056004 4.198778 3.477304 3.650882 4.466007 3.086298 4.526847 4.457510 4.482788 5.110423 4.475076 5.230367 0.000000 2.836501 3.629833 2.955655 3.968513 1.761602 5.684288 3.548927 4.864116 4.462488 3.041144 2.933784 4.631519 3.434518 5.182723 4.846103 3.818865 4.733553 2.958022 2.174146 3.051913 7.000873 6.124015 7.182121 3.674552 3.613838 3.233333 3.094757 3.829990 2.350730 3.767419 3.796932 3.844696 4.498042 3.891377 4.478274 0.983462 0.000000 4.097306 5.053339 3.833650 5.078327 3.128029 6.238682 4.854413 6.021286 5.641243 1.872644 2.218159 5.915570 2.381245 5.627366 5.488233 5.073577 5.924569 3.450907 2.504588 3.881669 7.340967 6.497848 7.325168 4.944813 5.006199 4.316110 3.240935 4.069625 2.916524 5.134359 5.205930 5.017406 5.032510 4.273355 5.275110 0.978205 1.549017 0.000000 5.399418 5.823207 6.400593 5.794292 4.083524 6.303465 4.793877 4.164553 4.667215 5.831815 5.326548 3.675055 6.639399 6.451217 6.432979 4.106385 4.728218 2.785844 3.335944 3.060215 5.348944 4.395559 5.821609 6.067315 5.972116 6.272077 4.518368 5.218939 4.185585 2.693982 3.108558 1.714707 2.878578 3.303994 3.075261 4.608178 4.234462 4.945879 0.000000 5.197260 5.823347 6.162145 5.417975 3.895731 5.524672 5.333288 3.753598 4.255960 5.354916 4.744435 3.484695 6.159608 5.697185 5.785799 4.769940 5.485764 3.316992 3.638942 3.699908 4.443483 3.475294 4.874026 6.431311 6.232402 6.557125 3.800726 4.459047 3.623827 2.979986 3.602894 2.110621 1.957943 2.412244 2.333461 4.594052 4.161769 4.762087 0.973250 0.000000 5.262193 5.705119 6.113521 5.875420 3.868836 6.640450 4.332858 4.697378 5.035853 5.308243 4.944721 4.190966 6.130855 6.646156 6.588533 3.684179 4.333112 1.843196 2.414401 2.280460 5.991512 5.012903 6.363609 5.604795 5.633565 5.710896 4.442116 5.258871 4.056363 2.928113 3.120655 2.067652 3.388900 3.557252 3.644601 3.857272 3.637237 4.240781 0.980918 1.578217 0.000000 3.602912 3.755624 2.930911 4.985918 3.625034 7.483995 3.771296 6.814054 6.171178 4.702611 4.952604 6.522271 4.565905 6.814311 6.214450 4.579133 5.231236 4.910311 4.159812 4.636790 9.564161 8.749521 9.749794 2.777289 2.995475 1.817896 5.432046 5.894137 4.671422 5.614400 5.288777 6.022967 7.178408 6.557350 6.980767 2.798017 2.817979 3.343293 6.772371 6.862137 6.121872 0.000000 2.896404 3.201944 2.021413 4.196814 3.193300 6.719086 4.100135 6.286142 5.557751 4.488959 4.608689 6.101644 4.252325 6.021351 5.379404 4.904517 5.637220 5.273411 4.514072 5.023245 9.062706 8.302901 9.247466 3.025184 2.924461 2.208099 4.932780 5.262372 4.174617 5.466439 5.277367 5.944706 6.824216 6.169594 6.564826 2.997736 2.762863 3.401920 6.785130 6.763736 6.237353 0.969346 0.000000 3.645490 4.032009 3.115195 5.012518 3.296053 7.230039 3.697513 6.567249 6.006836 3.949870 4.248524 6.279961 3.955883 6.577142 6.087438 4.344398 5.062936 4.141748 3.315315 4.015064 9.010320 8.165293 9.156654 3.124201 3.375125 2.242994 4.857639 5.445365 4.152681 5.289592 5.017834 5.551135 6.570599 5.930998 6.484150 1.866206 2.086945 2.433840 6.095424 6.168108 5.386354 0.978151 1.524565 0.000000 5.337379 6.150905 6.194871 4.143370 5.290452 1.826831 8.320247 2.901929 3.046815 7.009359 6.030889 3.858762 7.247759 2.801098 3.152135 8.248166 9.069023 7.977890 7.841815 8.073175 2.833826 2.988744 3.391483 8.543233 7.775065 8.667695 4.318063 3.665431 4.503026 5.585819 6.520540 5.691957 3.597420 3.743287 3.092451 7.523617 6.685331 7.399394 6.148967 5.389104 6.730549 8.705972 8.011828 8.422564 0.000000 5.862233 6.746491 6.712417 4.804030 5.590605 2.320576 8.604517 3.282527 3.596978 6.941346 5.957567 4.170668 7.273968 3.230106 3.756082 8.443685 9.264401 7.878906 7.783651 8.072685 1.879342 2.187744 2.468527 8.967265 8.264253 9.068397 4.286966 3.746568 4.615976 5.758850 6.721546 5.695423 3.198680 3.440313 2.920080 7.596526 6.825692 7.414721 5.881849 5.054173 6.503653 9.064394 8.428363 8.683257 0.976680 0.000000 2.039807 2.505005 3.182603 2.759131 0.983557 4.709403 3.196124 2.816368 2.538006 4.758446 4.213173 2.406149 5.153563 4.550795 4.080697 3.262178 4.190365 3.530864 3.337883 3.277280 5.974788 5.128115 6.438541 3.610914 3.135468 3.750824 3.256850 3.680504 2.334910 1.792759 2.167628 2.248245 3.505577 3.297862 3.034180 3.220072 2.296349 3.728814 3.404266 3.346317 3.309528 4.228850 3.924354 3.893973 5.231556 5.493484 0.000000 4.863115 5.531873 5.887701 3.745105 4.779305 2.263418 7.567983 2.020654 2.325192 7.002893 6.040526 2.954944 7.294654 3.133597 3.247625 7.461438 8.248043 7.396224 7.333002 7.411103 3.119962 3.033078 3.835101 7.864863 7.100439 8.072127 4.273184 3.763821 4.266586 4.747810 5.680592 4.905812 3.264104 3.543981 2.555931 7.148301 6.269397 7.144192 5.521758 4.855430 6.139120 8.285454 7.636199 8.019357 0.969697 1.538364 4.579910 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7322,-1.6017,-.9321;-1.5515,-1.4002,-2.073;-1.2488,-2.648,-.1424;.5749,-1.9931,-1.4181;-.6251,-.4065,-.1252;3.5422,-1.8991,-.3348;-3.5463,1.3349,-1.2752;1.9397,.4457,-1.9852;1.5294,-.427,-1.8575;-.2163,-1.1399,3.8212;.5004,-1.0172,3.1573;1.1881,1.0229,-2.2151;-.3747,-2.0886,3.838;2.9055,-2.423,.1995;2.1755,-2.6159,-.407;-3.1738,2.262,-1.2337;-3.8236,2.8291,-1.6579;-2.0884,2.8143,1.4144;-2.1471,1.9361,1.8374;-2.5476,2.6991,.5644;5.237,1.2547,.5701;4.2856,1.4947,.6633;5.5115,.9589,1.4426;-4.0127,-.2401,-1.4443;-3.2414,-.6723,-1.8479;-4.1202,-.7291,-.5979;1.4267,-.6791,1.6842;2.0278,-1.3537,1.2831;.688,-.6037,1.036;-.4038,1.9077,-1.6429;-1.3511,2.091,-1.776;-.1017,2.5914,-.9908;2.5148,1.5819,.5767;2.1793,.8466,1.138;2.3498,1.2476,-.3301;-2.1171,.0791,2.1272;-1.591,-.0999,1.3157;-1.569,-.2785,2.8543;.3944,3.5172,.3646;1.1406,2.9733,.6723;-.3803,3.308,.9286;-3.84,-1.7424,.8852;-3.1023,-2.2934,.5822;-3.408,-1.1108,1.4945;4.5164,-.7185,-1.332;4.9238,-.0749,-.7206;-.5478,.4121,-.6648;3.8437,-.2074,-1.808; 0.2689618 0.1676373 0.1537954 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 592 RedAO= T EigKep= 8.91D-05 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 604 604 604 604 604 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.39335922650 -1471.39335923 1 1.466797014454e+03 -7.699478710469e+03 2.664803347990e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT31797.900S Wed Nov 6 00:55:19 2024 -24.54845 -24.54357 -24.54306 -19.04662 -19.04057 -19.04023 -19.03778 -19.03545 -19.03296 -19.02689 -19.02551 -19.02499 -19.02487 -19.02428 -19.02205 -19.02085 -19.01407 -19.01205 -6.75701 -1.09845 -1.05630 -1.05535 -0.94198 -0.93803 -0.93414 -0.93070 -0.92482 -0.92196 -0.92071 -0.91993 -0.91291 -0.91283 -0.90655 -0.90399 -0.90287 -0.89621 -0.89261 -0.47884 -0.46089 -0.45780 -0.45418 -0.45356 -0.44814 -0.44332 -0.44110 -0.43745 -0.43516 -0.43363 -0.43244 -0.42938 -0.42776 -0.42175 -0.41675 -0.40204 -0.39699 -0.35465 -0.35124 -0.34252 -0.33483 -0.32593 -0.32288 -0.32199 -0.31783 -0.31405 -0.31040 -0.30635 -0.30359 -0.29977 -0.29874 -0.29372 -0.28766 -0.28309 -0.27700 -0.27450 -0.27006 -0.25834 -0.24468 -0.24181 -0.23779 -0.23672 -0.23210 -0.23039 -0.22978 -0.22765 -0.22539 -0.22503 -0.22169 -0.21656 -0.21594 -0.21448 -0.20565 0.08069 0.09811 0.10192 0.11603 0.12618 0.13589 0.14776 0.15504 0.16046 0.16686 0.17617 0.18353 0.19216 0.19633 0.19989 0.20582 0.21091 0.21604 0.21685 0.21974 0.22428 0.23207 0.23705 0.23843 0.24377 0.24595 0.24875 0.25498 0.25686 0.26135 0.26574 0.27017 0.27420 0.27587 0.27973 0.28027 0.28391 0.28643 0.29047 0.29540 0.29622 0.30255 0.30735 0.30937 0.31371 0.31639 0.31972 0.32358 0.32576 0.32866 0.33173 0.33710 0.33939 0.34104 0.34350 0.34512 0.34995 0.35307 0.35522 0.35764 0.35924 0.36440 0.36513 0.36654 0.36896 0.37044 0.37200 0.37675 0.37895 0.38557 0.38750 0.39037 0.39236 0.39381 0.39927 0.40767 0.42134 0.42482 0.42812 0.43725 0.44445 0.44808 0.45184 0.45489 0.46986 0.47477 0.48153 0.48688 0.49701 0.49914 0.50424 0.51666 0.52994 0.53882 0.55124 0.55805 0.56467 0.57107 0.57651 0.58512 0.59333 0.59813 0.60279 0.60796 0.61371 0.62079 0.62679 0.62806 0.63167 0.63743 0.64092 0.64357 0.64946 0.65607 0.66114 0.66995 0.67272 0.68062 0.68298 0.68486 0.69567 0.69672 0.70874 0.71489 0.71976 0.72667 0.73272 0.73730 0.73935 0.74594 0.75148 0.75410 0.76876 0.77740 0.78804 0.79454 0.81489 0.82303 0.82905 0.83876 0.87211 0.92464 1.01724 1.03182 1.04601 1.05008 1.05683 1.06646 1.06763 1.07509 1.08660 1.08752 1.09133 1.09537 1.09987 1.10862 1.11411 1.11730 1.12274 1.12409 1.13362 1.13885 1.14104 1.14295 1.14620 1.15956 1.16215 1.16692 1.17334 1.17654 1.17997 1.18945 1.19352 1.20698 1.21057 1.21486 1.21586 1.22087 1.22570 1.22696 1.23287 1.24574 1.25932 1.27341 1.28870 1.30961 1.32568 1.33685 1.34544 1.35112 1.35374 1.36288 1.36713 1.36962 1.37454 1.38460 1.39321 1.39611 1.40592 1.41324 1.41729 1.42366 1.43684 1.43993 1.44130 1.45151 1.45663 1.45907 1.46749 1.46973 1.47378 1.48202 1.49126 1.49873 1.49904 1.50916 1.51119 1.51926 1.52807 1.53593 1.53968 1.54557 1.55532 1.55718 1.56036 1.57155 1.57866 1.58912 1.59031 1.60725 1.60869 1.61731 1.62643 1.63312 1.63725 1.63942 1.65041 1.65614 1.66884 1.67452 1.67930 1.68798 1.69594 1.70740 1.71155 1.72013 1.72606 1.73519 1.74897 1.75699 1.76346 1.77696 1.78434 1.79051 1.79613 1.79827 1.81802 1.82351 1.83110 1.84023 1.84509 1.85618 1.85734 1.87385 1.88578 1.89134 1.89467 1.91963 1.92863 1.93732 1.94578 1.96037 1.97371 2.03011 2.10484 2.10646 2.12147 2.14153 2.19143 2.24010 2.24416 2.25887 2.27137 2.28333 2.29326 2.30404 2.32232 2.33498 2.35416 2.35967 2.36347 2.37904 2.38379 2.39764 2.41554 2.41805 2.44146 2.44884 2.45594 2.46654 2.48785 2.49493 2.51144 2.52315 2.52686 2.54846 2.57915 2.59164 2.59885 2.60627 2.64005 2.66219 2.72925 2.73271 2.73569 2.76346 2.77590 2.78669 2.79420 2.80344 2.80779 2.81159 2.82209 2.82735 2.84033 2.84947 2.85363 2.86133 2.88072 2.89411 2.91005 2.92288 2.93576 2.94930 2.96403 2.97358 3.00701 3.05718 3.15638 3.16557 3.17509 3.17525 3.18028 3.18569 3.19731 3.20217 3.20555 3.20772 3.21335 3.21637 3.22194 3.22475 3.22754 3.23062 3.23964 3.24211 3.24860 3.26092 3.26263 3.27459 3.27564 3.28219 3.28873 3.29024 3.29123 3.30424 3.30524 3.31200 3.34283 3.39376 3.39919 3.40513 3.42097 3.42580 3.43480 3.44189 3.44354 3.44977 3.45402 3.46274 3.46558 3.48394 3.49158 3.66589 3.76854 3.78791 3.79531 3.80203 3.80751 3.81482 3.81929 3.82378 3.83861 3.84949 3.85962 3.86328 3.87461 3.88372 3.89339 3.90840 3.91928 3.93380 3.95887 3.96352 3.98611 3.98693 3.99788 3.99882 4.00181 4.01402 4.01862 4.02066 4.03095 4.03758 4.04345 4.04649 4.05316 4.06348 4.07576 4.08421 4.10418 4.12633 4.19444 4.32501 4.34072 4.49783 4.75491 4.77228 5.09474 5.09895 5.10753 5.11920 5.12574 5.13284 5.13767 5.14145 5.15199 5.17206 5.21258 5.23229 5.30453 5.32953 5.37167 5.44103 5.46357 5.47478 5.48539 5.49171 5.51118 5.52639 5.53568 5.54943 5.55900 5.56168 5.58126 5.59177 5.60706 5.63643 5.72635 5.73867 5.74416 5.74736 5.75435 5.77256 5.77344 5.77848 5.78361 5.80036 5.81502 5.82422 5.83710 5.84567 5.89777 6.46969 6.50129 6.52531 6.54511 6.57074 6.58339 6.62280 6.74289 6.79950 14.69354 49.95969 49.97943 49.99335 50.00553 50.01251 50.02123 50.02400 50.02977 50.03639 50.04031 50.04433 50.04956 50.06712 50.08587 50.10677 66.95109 66.96885 66.97532 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 0.987960 -0.421495 -0.406951 -0.443591 -0.928524 0.377440 0.413452 -0.631692 0.244410 -0.621782 0.373841 0.374221 0.234204 -0.641511 0.270624 -0.769801 0.285426 -0.679345 0.365504 0.339116 -0.653466 0.374858 0.247654 -0.643612 0.264621 0.373247 -0.823769 0.424956 0.347234 -0.817851 0.364137 0.401976 -0.719004 0.371884 0.325643 -0.847641 0.395052 0.426687 -0.687691 0.340859 0.366421 -0.648231 0.275811 0.365459 -0.661174 0.374775 0.438616 0.301040 -1.00000 -0.4173 0.0875 0.3869 0.5758 -179.2402 -160.0461 -144.6619 -7.1694 14.8559 -12.3830 -17.9241 1.2699 16.6542 -7.1694 14.8559 -12.3830 -51.0650 -65.4530 -33.4036 -36.7600 51.2744 41.2476 14.7054 -4.7927 -15.5768 25.6766 -6440.3247 -2907.1549 -2207.5469 -287.8636 421.6553 -37.7869 -140.6903 65.1057 -55.8640 -1482.5647 -1230.0678 -705.5994 -74.9237 84.7525 20.9366 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GANDULLAS LAMSABHI 06-Nov-2024 0 Wavefunction 14H2OBF3OH CONF27 gas -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.3933592 RMSD=2.146e-09 Dipole=0.1471954,0.0504604,0.1646382 Quadrupole=-12.1514915,13.1856958,-1.0342044,-10.9020179,-7.6546575,7.8939343 PG=C01 [X(B1F3H29O15)] 0 0.9345973601 0.7634409151 -1.544571854 0 1.8296146353 -0.0442308534 -2.2929020028 0 1.4649462102 2.0596463033 -1.389282876 0 -0.2899005469 0.8553466647 -2.3126834212 0 0.6620415735 0.2028656229 -0.239791245 0 -3.3369331608 1.4303946662 -1.7025208922 0 3.5199093153 -1.9465642835 0.0777882889 0 -1.7946515739 -1.468864922 -1.6304701627 0 -1.3273101093 -0.6764530151 -1.9464731987 0 -0.022548457 2.9750398901 2.6106591669 0 -0.6873342575 2.5262710789 2.0396522767 0 -1.0754637888 -2.0943427788 -1.4241004946 0 0.2104208252 3.776296479 2.1320771712 0 -2.7078815557 2.1468474283 -1.4649511174 0 -1.9153930611 1.9627355202 -1.9902718394 0 3.0711439418 -2.6933991105 0.5687060187 0 3.7066964381 -3.4139191349 0.5956274463 0 1.7215855584 -1.6914891218 2.9498702996 0 1.814904229 -0.7260721967 2.8365917297 0 2.2597191376 -2.0675100724 2.2318926218 0 -5.3535466312 -0.6849548234 0.5548621537 0 -4.4363467398 -0.8560850442 0.8723481452 0 -5.6769024024 0.0439568449 1.0916841063 0 4.1254483772 -0.7280733756 -0.8576570374 0 3.4292372553 -0.5686406201 -1.5167449411 0 4.199336783 0.1404490774 -0.4023155618 0 -1.5083096847 1.4607539828 0.8850716162 0 -2.0160745933 1.8210995979 0.1171266771 0 -0.7253735806 1.0287283056 0.470482475 0 0.3843369504 -2.5591491645 -0.2851698984 0 1.3215394777 -2.8058138458 -0.1875669912 0 -0.0270704781 -2.7709954356 0.5922322087 0 -2.67755783 -1.0145909378 1.0526558579 0 -2.3328044665 -0.0996429025 1.1638000442 0 -2.408906759 -1.2314587443 0.1350361285 0 1.9110814927 0.9895752807 2.074480548 0 1.4727960165 0.7093272725 1.2398759741 0 1.3336317792 1.6971222789 2.4249281306 0 -0.7110759276 -2.7987639126 2.164359437 0 -1.4341527809 -2.1590164845 2.0414814705 0 0.0269255092 -2.3329721959 2.6122335772 0 3.8763811732 1.8035752773 0.2568175195 0 3.2145638619 2.1166460879 -0.378490301 0 3.3438914705 1.6150299376 1.0553690935 0 -4.3147459157 -0.0814268212 -2.0116956088 0 -4.8239584853 -0.2794100103 -1.2021224601 0 0.564987783 -0.7757213907 -0.2580337461 0 -3.6474710352 -0.7836670021 -2.0554489243 Gaussian 16 6-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(BF3H29O15)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9346,.7634,-1.5446;1.8296,-.0442,-2.2929;1.4649,2.0596,-1.3893;-.2899,.8553,-2.3127;.662,.2029,-.2398;-3.3369,1.4304,-1.7025;3.5199,-1.9466,.0778;-1.7947,-1.4689,-1.6305;-1.3273,-.6765,-1.9465;-.0225,2.975,2.6107;-.6873,2.5263,2.0397;-1.0755,-2.0943,-1.4241;.2104,3.7763,2.1321;-2.7079,2.1468,-1.465;-1.9154,1.9627,-1.9903;3.0711,-2.6934,.5687;3.7067,-3.4139,.5956;1.7216,-1.6915,2.9499;1.8149,-.7261,2.8366;2.2597,-2.0675,2.2319;-5.3535,-.685,.5549;-4.4363,-.8561,.8723;-5.6769,.044,1.0917;4.1254,-.7281,-.8577;3.4292,-.5686,-1.5167;4.1993,.1404,-.4023;-1.5083,1.4608,.8851;-2.0161,1.8211,.1171;-.7254,1.0287,.4705;.3843,-2.5591,-.2852;1.3215,-2.8058,-.1876;-.0271,-2.771,.5922;-2.6776,-1.0146,1.0527;-2.3328,-.0996,1.1638;-2.4089,-1.2315,.135;1.9111,.9896,2.0745;1.4728,.7093,1.2399;1.3336,1.6971,2.4249;-.7111,-2.7988,2.1644;-1.4342,-2.159,2.0415;.0269,-2.333,2.6122;3.8764,1.8036,.2568;3.2146,2.1166,-.3785;3.3439,1.615,1.0554;-4.3147,-.0814,-2.0117;-4.824,-.2794,-1.2021;.565,-.7757,-.258;-3.6475,-.7837,-2.0554; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/gas/CONF27/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=re 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 14H2OBF3OH CONF27 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1116 A 1002 A 1002 1421 1116 91 91 2096.5442444967 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0592556983 0.000000 1.418939 0.000000 1.409089 2.318579 0.000000 1.448391 2.302602 2.320020 0.000000 1.446023 2.374773 2.326719 2.372511 0.000000 4.326170 5.405209 4.853053 3.160283 4.431501 0.000000 4.081669 3.477951 4.735493 5.299029 3.590030 7.847907 0.000000 3.526949 3.950152 4.809734 2.851605 3.280855 3.284742 5.602758 0.000000 2.711281 3.238193 3.948847 1.885932 2.764685 2.921798 5.404290 0.972719 0.000000 4.803462 6.049084 4.364645 5.366925 4.034685 5.654608 6.571653 6.393420 5.983582 0.000000 4.311020 5.631477 4.075248 4.678971 3.523477 4.714359 6.446399 5.536882 5.153271 0.984572 0.000000 3.495967 3.660226 4.869345 3.179207 3.114270 4.197087 4.836834 0.975214 1.531898 6.564035 5.787772 0.000000 4.808272 6.066190 4.113478 5.342113 4.312671 5.726353 6.922713 6.759349 6.231065 0.961939 1.541775 6.983144 0.000000 3.897154 5.106388 4.174425 2.869365 4.078782 0.982573 7.610614 3.732929 3.179444 4.950507 4.063105 4.544684 4.910214 0.000000 3.124004 4.259646 3.434716 1.993109 3.578337 1.544980 7.007283 3.452523 2.704270 5.077025 4.250410 4.181616 4.980146 0.968451 0.000000 4.580450 4.092467 5.385632 5.673854 3.853024 7.951578 1.000076 5.478305 5.453494 6.772865 6.598090 4.639451 7.244641 7.807745 7.286529 0.000000 5.451176 4.818904 6.239009 6.531285 4.800935 8.852208 1.567220 6.245284 6.268749 7.667230 7.528517 5.356271 8.141488 8.735841 8.197755 0.961146 0.000000 5.181317 5.496525 5.741527 6.182792 3.858128 7.548478 3.398218 5.778668 5.856641 4.993352 4.941750 5.207437 5.731412 7.337824 7.140446 2.914631 3.528440 0.000000 4.710434 5.174633 5.073531 5.783262 3.414110 7.196897 3.465204 5.790965 5.723083 4.138298 4.180197 5.327278 4.831359 6.871137 6.666590 3.254507 3.978105 0.976509 0.000000 4.902236 4.975180 5.547792 5.974682 3.717042 7.683584 2.498574 5.631531 5.679838 5.547929 5.461218 4.948783 6.193518 7.490295 7.176428 1.953545 2.565916 0.972868 1.537198 0.000000 6.785737 7.753586 7.602919 6.019623 6.132455 3.692860 8.975382 4.249227 4.739972 6.785382 5.855776 4.919823 7.303979 4.370159 5.030792 8.660800 9.462395 7.537020 7.522943 7.917431 0.000000 6.108306 7.066837 6.960009 5.501494 5.324640 3.614782 8.069850 3.690278 4.200492 6.097611 5.182473 4.254702 6.681192 4.179493 4.742947 7.735007 8.539803 6.552414 6.553876 6.939251 0.985565 0.000000 7.153980 8.234743 7.824590 6.424007 6.479220 3.899391 9.464222 4.977010 5.354283 6.547538 5.652992 5.663456 7.047932 4.446754 5.227726 9.181228 10.012737 7.823187 7.730771 8.291461 0.961275 1.548277 0.000000 3.588593 2.792565 3.890023 4.911174 3.639175 7.814085 1.651198 6.016111 5.560644 6.553483 6.492152 5.407128 6.674976 7.438304 6.709324 2.647371 3.082395 4.604779 4.357303 3.849721 9.583758 8.735768 10.024073 0.000000 2.828152 1.853704 3.283684 4.061187 3.143756 7.057742 2.109368 5.302108 4.777136 6.442667 6.258802 4.756961 6.523278 6.711243 5.932720 2.998656 3.554534 4.911977 4.645686 4.203173 9.024543 8.225436 9.492152 0.971867 0.000000 3.514455 3.037105 3.483434 4.930906 3.541577 7.755634 2.246719 6.326622 5.796169 5.910773 5.961116 5.819094 5.962716 7.270797 6.575124 3.200999 3.724529 4.553284 4.114231 3.946676 9.636133 8.785948 9.989066 0.983426 1.528991 0.000000 3.515282 4.848323 3.790991 3.475151 2.749186 3.168662 6.127358 3.872029 3.552191 2.734630 1.772677 4.261261 3.141782 2.726225 2.947084 6.190999 7.144404 4.963089 4.431071 5.334849 4.415762 3.733806 4.407626 6.290254 5.853762 5.998150 0.000000 3.547724 4.906834 3.800484 3.133103 3.149346 2.282200 6.696563 3.731888 3.312191 3.394618 2.441090 4.311707 3.583309 1.757179 2.114551 6.816481 7.770746 5.859421 5.344153 6.154343 4.196503 3.687193 4.184454 6.720624 6.166994 6.459547 0.988642 0.000000 2.624181 3.913502 3.052707 2.822359 1.763933 3.421041 5.198942 3.434433 3.018550 2.976986 2.169418 3.669548 3.344509 2.987713 2.888568 5.317652 6.276625 4.419791 3.889834 4.647584 4.935972 4.181547 5.086581 5.327361 4.874572 5.079723 0.985657 1.555192 0.000000 3.595620 3.527695 4.870324 4.027926 2.776311 5.636772 3.215402 2.783261 3.038784 6.259284 5.693398 1.908986 6.783156 5.753269 5.351969 2.822421 3.541823 3.606460 3.892569 3.177164 6.094388 5.242067 6.738732 4.204342 3.840614 4.675016 4.594692 5.011028 3.830840 0.000000 3.838068 3.509546 5.013720 4.529565 3.080555 6.476258 2.375195 3.685112 3.826791 6.561624 6.117778 2.789414 7.066789 6.511282 6.038753 1.909372 2.583052 3.353397 3.703278 2.697973 7.043154 6.170747 7.663933 3.553580 3.348738 4.124112 5.230889 5.713216 4.396202 0.974022 0.000000 4.240634 4.382525 5.430250 4.653813 3.164015 5.820031 3.677690 3.124147 3.538751 6.090237 5.531004 2.371199 6.730123 5.966903 5.713431 3.099275 3.788717 3.127553 3.551300 2.900480 5.720517 4.815295 6.331983 4.849652 4.609145 5.227634 4.493053 5.026848 3.865275 0.991952 1.558219 0.000000 4.791102 5.696399 5.707393 4.530241 3.782267 3.742156 6.342518 2.860953 3.306400 5.039207 4.180054 3.141161 5.697208 4.041529 4.324902 6.008342 6.835521 4.838396 4.842302 5.184201 2.741783 1.775098 3.180898 7.071936 6.640304 7.123394 2.742728 3.058417 2.885325 3.681119 4.554054 3.212792 0.000000 4.330832 5.410877 5.060007 4.143839 3.321247 3.400748 6.232560 3.157899 3.319266 4.109058 3.220266 3.500994 4.735870 3.478180 3.791544 6.023651 6.912512 4.707664 4.515986 5.109266 3.136603 2.254338 3.347956 6.796340 6.372316 6.721550 1.786706 2.210225 2.082725 3.941008 4.743815 3.574804 0.984042 0.000000 4.240251 5.026874 5.306756 3.851789 3.410059 3.365013 5.972061 1.884326 2.410511 5.433051 4.551034 2.225656 5.993885 3.749973 3.868251 5.688259 6.509676 5.019550 5.039285 5.185736 3.024206 2.189760 3.636159 6.628471 6.103412 6.770507 2.936263 3.077783 2.838178 3.121145 4.061883 2.872690 0.980424 1.531390 0.000000 3.755289 4.488811 3.652635 4.910147 2.744971 6.480873 3.898208 5.788182 5.425025 2.822850 3.019008 5.538057 3.265177 5.933100 5.666671 4.144563 4.980161 2.826716 1.879763 3.080925 7.608424 6.718737 7.709577 4.056004 4.198778 3.477304 3.650882 4.466007 3.086298 4.526847 4.457510 4.482788 5.110423 4.475076 5.230367 0.000000 2.836501 3.629833 2.955655 3.968513 1.761602 5.684288 3.548927 4.864116 4.462488 3.041144 2.933784 4.631519 3.434518 5.182723 4.846103 3.818865 4.733553 2.958022 2.174146 3.051913 7.000873 6.124015 7.182121 3.674552 3.613838 3.233333 3.094757 3.829990 2.350730 3.767419 3.796932 3.844696 4.498042 3.891377 4.478274 0.983462 0.000000 4.097306 5.053339 3.833650 5.078327 3.128029 6.238682 4.854413 6.021286 5.641243 1.872644 2.218159 5.915570 2.381245 5.627366 5.488233 5.073577 5.924569 3.450907 2.504588 3.881669 7.340967 6.497848 7.325168 4.944813 5.006199 4.316110 3.240935 4.069625 2.916524 5.134359 5.205930 5.017406 5.032510 4.273355 5.275110 0.978205 1.549017 0.000000 5.399418 5.823207 6.400593 5.794292 4.083524 6.303465 4.793877 4.164553 4.667215 5.831815 5.326548 3.675055 6.639399 6.451217 6.432979 4.106385 4.728218 2.785844 3.335944 3.060215 5.348944 4.395559 5.821609 6.067315 5.972116 6.272077 4.518368 5.218939 4.185585 2.693982 3.108558 1.714707 2.878578 3.303994 3.075261 4.608178 4.234462 4.945879 0.000000 5.197260 5.823347 6.162145 5.417975 3.895731 5.524672 5.333288 3.753598 4.255960 5.354916 4.744435 3.484695 6.159608 5.697185 5.785799 4.769940 5.485764 3.316992 3.638942 3.699908 4.443483 3.475294 4.874026 6.431311 6.232402 6.557125 3.800726 4.459047 3.623827 2.979986 3.602894 2.110621 1.957943 2.412244 2.333461 4.594052 4.161769 4.762087 0.973250 0.000000 5.262193 5.705119 6.113521 5.875420 3.868836 6.640450 4.332858 4.697378 5.035853 5.308243 4.944721 4.190966 6.130855 6.646156 6.588533 3.684179 4.333112 1.843196 2.414401 2.280460 5.991512 5.012903 6.363609 5.604795 5.633565 5.710896 4.442116 5.258871 4.056363 2.928113 3.120655 2.067652 3.388900 3.557252 3.644601 3.857272 3.637237 4.240781 0.980918 1.578217 0.000000 3.602912 3.755624 2.930911 4.985918 3.625034 7.483995 3.771296 6.814054 6.171178 4.702611 4.952604 6.522271 4.565905 6.814311 6.214450 4.579133 5.231236 4.910311 4.159812 4.636790 9.564161 8.749521 9.749794 2.777289 2.995475 1.817896 5.432046 5.894137 4.671422 5.614400 5.288777 6.022967 7.178408 6.557350 6.980767 2.798017 2.817979 3.343293 6.772371 6.862137 6.121872 0.000000 2.896404 3.201944 2.021413 4.196814 3.193300 6.719086 4.100135 6.286142 5.557751 4.488959 4.608689 6.101644 4.252325 6.021351 5.379404 4.904517 5.637220 5.273411 4.514072 5.023245 9.062706 8.302901 9.247466 3.025184 2.924461 2.208099 4.932780 5.262372 4.174617 5.466439 5.277367 5.944706 6.824216 6.169594 6.564826 2.997736 2.762863 3.401920 6.785130 6.763736 6.237353 0.969346 0.000000 3.645490 4.032009 3.115195 5.012518 3.296053 7.230039 3.697513 6.567249 6.006836 3.949870 4.248524 6.279961 3.955883 6.577142 6.087438 4.344398 5.062936 4.141748 3.315315 4.015064 9.010320 8.165293 9.156654 3.124201 3.375125 2.242994 4.857639 5.445365 4.152681 5.289592 5.017834 5.551135 6.570599 5.930998 6.484150 1.866206 2.086945 2.433840 6.095424 6.168108 5.386354 0.978151 1.524565 0.000000 5.337379 6.150905 6.194871 4.143370 5.290452 1.826831 8.320247 2.901929 3.046815 7.009359 6.030889 3.858762 7.247759 2.801098 3.152135 8.248166 9.069023 7.977890 7.841815 8.073175 2.833826 2.988744 3.391483 8.543233 7.775065 8.667695 4.318063 3.665431 4.503026 5.585819 6.520540 5.691957 3.597420 3.743287 3.092451 7.523617 6.685331 7.399394 6.148967 5.389104 6.730549 8.705972 8.011828 8.422564 0.000000 5.862233 6.746491 6.712417 4.804030 5.590605 2.320576 8.604517 3.282527 3.596978 6.941346 5.957567 4.170668 7.273968 3.230106 3.756082 8.443685 9.264401 7.878906 7.783651 8.072685 1.879342 2.187744 2.468527 8.967265 8.264253 9.068397 4.286966 3.746568 4.615976 5.758850 6.721546 5.695423 3.198680 3.440313 2.920080 7.596526 6.825692 7.414721 5.881849 5.054173 6.503653 9.064394 8.428363 8.683257 0.976680 0.000000 2.039807 2.505005 3.182603 2.759131 0.983557 4.709403 3.196124 2.816368 2.538006 4.758446 4.213173 2.406149 5.153563 4.550795 4.080697 3.262178 4.190365 3.530864 3.337883 3.277280 5.974788 5.128115 6.438541 3.610914 3.135468 3.750824 3.256850 3.680504 2.334910 1.792759 2.167628 2.248245 3.505577 3.297862 3.034180 3.220072 2.296349 3.728814 3.404266 3.346317 3.309528 4.228850 3.924354 3.893973 5.231556 5.493484 0.000000 4.863115 5.531873 5.887701 3.745105 4.779305 2.263418 7.567983 2.020654 2.325192 7.002893 6.040526 2.954944 7.294654 3.133597 3.247625 7.461438 8.248043 7.396224 7.333002 7.411103 3.119962 3.033078 3.835101 7.864863 7.100439 8.072127 4.273184 3.763821 4.266586 4.747810 5.680592 4.905812 3.264104 3.543981 2.555931 7.148301 6.269397 7.144192 5.521758 4.855430 6.139120 8.285454 7.636199 8.019357 0.969697 1.538364 4.579910 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7322,-1.6017,-.9321;-1.5515,-1.4002,-2.073;-1.2488,-2.648,-.1424;.5749,-1.9931,-1.4181;-.6251,-.4065,-.1252;3.5422,-1.8991,-.3348;-3.5463,1.3349,-1.2752;1.9397,.4457,-1.9852;1.5294,-.427,-1.8575;-.2163,-1.1399,3.8212;.5004,-1.0172,3.1573;1.1881,1.0229,-2.2151;-.3747,-2.0886,3.838;2.9055,-2.423,.1995;2.1755,-2.6159,-.407;-3.1738,2.262,-1.2337;-3.8236,2.8291,-1.6579;-2.0884,2.8143,1.4144;-2.1471,1.9361,1.8374;-2.5476,2.6991,.5644;5.237,1.2547,.5701;4.2856,1.4947,.6633;5.5115,.9589,1.4426;-4.0127,-.2401,-1.4443;-3.2414,-.6723,-1.8479;-4.1202,-.7291,-.5979;1.4267,-.6791,1.6842;2.0278,-1.3537,1.2831;.688,-.6037,1.036;-.4038,1.9077,-1.6429;-1.3511,2.091,-1.776;-.1017,2.5914,-.9908;2.5148,1.5819,.5767;2.1793,.8466,1.138;2.3498,1.2476,-.3301;-2.1171,.0791,2.1272;-1.591,-.0999,1.3157;-1.569,-.2785,2.8543;.3944,3.5172,.3646;1.1406,2.9733,.6723;-.3803,3.308,.9286;-3.84,-1.7424,.8852;-3.1023,-2.2934,.5822;-3.408,-1.1108,1.4945;4.5164,-.7185,-1.332;4.9238,-.0749,-.7206;-.5478,.4121,-.6648;3.8437,-.2074,-1.808; 0.2689618 0.1676373 0.1537954 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 1002 RedAO= T EigKep= 2.38D-05 NBF= 1002 NBsUse= 1002 1.00D-06 EigRej= -1.00D+00 NBFU= 1002 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1087 1079 1084 1084 1087 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.40472983392 -1471.46023922014 -0.055509386221 -1471.46056378916 -0.000324569022 -1471.46102738741 -0.000463598248 -1471.46106434718 -0.000036959772 -1471.46106583304 -0.000001485853 -1471.46106597541 -0.000000142375 -1471.46106599570 -0.000000020287 -1471.46106599593 -0.000000000237 -1471.46106599616 -0.000000000223 -1471.46106600 10 1.466590650794e+03 -7.700036112543e+03 2.665499406954e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11322110188 LenY= 11320863616 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT6571.800S Wed Nov 6 01:09:04 2024 -24.54389 -24.53891 -24.53811 -19.04374 -19.03926 -19.03706 -19.03577 -19.03199 -19.02881 -19.02380 -19.02359 -19.02218 -19.02207 -19.02199 -19.01971 -19.01402 -19.01279 -19.01053 -6.74365 -1.09189 -1.05049 -1.04949 -0.93769 -0.93423 -0.93008 -0.92691 -0.92053 -0.91817 -0.91663 -0.91570 -0.90885 -0.90871 -0.90275 -0.90031 -0.89874 -0.89056 -0.88947 -0.47210 -0.45682 -0.45375 -0.45074 -0.44948 -0.44310 -0.43914 -0.43659 -0.43324 -0.43116 -0.42991 -0.42925 -0.42600 -0.42390 -0.41857 -0.41182 -0.39647 -0.39111 -0.35149 -0.34780 -0.33986 -0.33218 -0.32280 -0.32040 -0.31975 -0.31436 -0.31191 -0.30850 -0.30346 -0.30167 -0.29761 -0.29670 -0.29180 -0.28634 -0.27960 -0.27480 -0.27276 -0.26665 -0.25380 -0.24223 -0.24001 -0.23534 -0.23380 -0.23000 -0.22787 -0.22683 -0.22488 -0.22328 -0.22242 -0.21785 -0.21489 -0.21448 -0.21299 -0.20472 0.08182 0.09832 0.10276 0.11611 0.12635 0.13588 0.14774 0.15453 0.16020 0.16699 0.17473 0.18297 0.19168 0.19595 0.19967 0.20434 0.21017 0.21520 0.21611 0.21897 0.22338 0.23169 0.23627 0.23744 0.24272 0.24486 0.24746 0.25378 0.25551 0.25988 0.26382 0.26827 0.27272 0.27423 0.27734 0.27870 0.28155 0.28383 0.28908 0.29305 0.29387 0.30175 0.30383 0.30815 0.30957 0.31229 0.31684 0.31953 0.32426 0.32565 0.32855 0.33471 0.33596 0.33751 0.34111 0.34151 0.34739 0.35070 0.35278 0.35545 0.35701 0.35836 0.36098 0.36421 0.36597 0.36853 0.37071 0.37289 0.37625 0.37914 0.38200 0.38385 0.38876 0.38995 0.39200 0.40085 0.40736 0.41467 0.42067 0.42151 0.43063 0.44143 0.44622 0.44911 0.45750 0.46027 0.46822 0.47768 0.48634 0.49006 0.49483 0.49725 0.50257 0.51064 0.52551 0.53119 0.53379 0.54542 0.54845 0.55371 0.56274 0.56317 0.56848 0.57612 0.58395 0.58582 0.58615 0.59446 0.60089 0.60510 0.60700 0.61188 0.61353 0.62081 0.62350 0.63125 0.63573 0.63724 0.64224 0.64483 0.65160 0.65966 0.66223 0.66631 0.67168 0.67201 0.67723 0.69155 0.69733 0.70123 0.70340 0.70581 0.70968 0.71665 0.72307 0.72445 0.72941 0.73010 0.74373 0.74643 0.75050 0.75624 0.76450 0.77495 0.77776 0.78654 0.78762 0.79364 0.79689 0.80117 0.80902 0.81475 0.82382 0.82464 0.82889 0.84091 0.84627 0.84947 0.85442 0.85676 0.86292 0.86746 0.87324 0.87664 0.88458 0.89173 0.89212 0.89717 0.90220 0.91552 0.91651 0.91914 0.92980 0.93686 0.93976 0.94381 0.95310 0.95602 0.96020 0.96254 0.97256 0.97384 0.98733 0.99250 0.99857 1.00281 1.00787 1.01106 1.01737 1.02242 1.02336 1.02894 1.03232 1.03443 1.03963 1.04515 1.04955 1.05930 1.06171 1.06476 1.07093 1.07201 1.07622 1.08063 1.08363 1.08731 1.09310 1.09707 1.10176 1.10451 1.10963 1.11349 1.11491 1.11629 1.11886 1.12212 1.13011 1.13298 1.13781 1.13923 1.14254 1.14627 1.14902 1.15431 1.15826 1.16230 1.16799 1.17445 1.17712 1.18165 1.18549 1.19223 1.19496 1.19946 1.20111 1.20975 1.21261 1.21442 1.22301 1.22516 1.23519 1.23724 1.24104 1.24459 1.25098 1.25512 1.26055 1.26701 1.26886 1.28060 1.28468 1.29470 1.29625 1.30157 1.30967 1.31314 1.31655 1.31845 1.32723 1.33273 1.33671 1.34409 1.34668 1.35319 1.35504 1.36392 1.36728 1.37170 1.37439 1.38410 1.38471 1.39251 1.40053 1.40617 1.41239 1.41720 1.42081 1.42569 1.42711 1.43674 1.44119 1.44906 1.45143 1.45376 1.45489 1.46257 1.47006 1.47363 1.48315 1.49130 1.49385 1.50328 1.50708 1.51754 1.52461 1.52915 1.53472 1.53562 1.53797 1.54941 1.55363 1.55881 1.56581 1.57142 1.57957 1.58676 1.59446 1.59778 1.60234 1.60677 1.61228 1.61679 1.62735 1.63256 1.63642 1.64336 1.64819 1.66175 1.66504 1.67251 1.67608 1.68408 1.69795 1.69996 1.70908 1.71374 1.72048 1.72758 1.73225 1.74693 1.75396 1.75801 1.77173 1.77499 1.78523 1.78876 1.80938 1.81066 1.82638 1.83360 1.84221 1.86031 1.86238 1.86813 1.87680 1.88418 1.90553 1.92317 1.93505 1.94015 1.94512 1.95419 1.97604 1.98867 1.99157 1.99849 2.01261 2.01911 2.04162 2.06654 2.08184 2.08965 2.10101 2.10779 2.10935 2.12655 2.13359 2.14094 2.15718 2.17042 2.18123 2.19610 2.20193 2.20718 2.22083 2.23534 2.24564 2.26126 2.26456 2.27219 2.28405 2.28588 2.31837 2.32076 2.32714 2.33961 2.34738 2.35874 2.37476 2.38156 2.39430 2.40124 2.40995 2.41959 2.44058 2.45264 2.46898 2.48617 2.49388 2.50464 2.61458 2.65853 2.67887 2.74831 2.78598 2.78987 2.80112 2.82234 2.82735 2.83306 2.84051 2.84995 2.85298 2.86714 2.87924 2.89185 2.90120 2.91971 2.93018 2.94173 2.94512 2.95344 2.96326 2.97261 2.97784 2.99566 3.01279 3.02578 3.02681 3.04276 3.06538 3.07831 3.08360 3.12863 3.17505 3.18148 3.20734 3.22766 3.23862 3.25833 3.26622 3.26965 3.27845 3.28944 3.29928 3.31906 3.32779 3.32915 3.33772 3.34408 3.35915 3.36024 3.37649 3.37889 3.39358 3.39924 3.40924 3.41223 3.42197 3.43384 3.43786 3.44542 3.45166 3.45684 3.45955 3.47868 3.47983 3.49190 3.49658 3.49907 3.50297 3.51422 3.51570 3.53341 3.53445 3.53773 3.54033 3.54856 3.55185 3.56066 3.56807 3.57326 3.57617 3.58637 3.58844 3.59333 3.59780 3.60958 3.62118 3.62787 3.63497 3.63833 3.64315 3.64841 3.65373 3.66243 3.66861 3.67355 3.68304 3.68633 3.69486 3.69926 3.71799 3.72456 3.73221 3.73945 3.75879 3.78154 3.79440 3.81580 3.85178 3.87483 3.88971 3.90314 3.91651 3.91948 3.95424 3.97631 3.98332 4.00406 4.01834 4.03629 4.05241 4.05710 4.09334 4.09912 4.11359 4.11826 4.13766 4.13895 4.15393 4.17169 4.21474 4.21805 4.22864 4.23439 4.24745 4.25316 4.25724 4.27073 4.28183 4.28746 4.28824 4.29295 4.29805 4.30521 4.31840 4.33360 4.34134 4.34393 4.34928 4.35806 4.36375 4.38590 4.40018 4.40419 4.40494 4.41702 4.42942 4.43777 4.44409 4.45524 4.46275 4.46914 4.47994 4.48941 4.49339 4.50485 4.51413 4.52751 4.54158 4.56197 4.57365 4.73194 4.73889 4.74297 4.76876 4.77244 4.79861 4.81489 4.82112 4.82732 4.83027 4.83836 4.84993 4.85755 4.86117 4.86958 4.87732 4.88673 4.88838 4.89123 4.89482 4.90746 4.92182 4.92514 4.94555 4.95433 4.96435 4.97026 4.98013 4.98319 4.99219 5.00366 5.00625 5.01925 5.02182 5.02670 5.03763 5.04469 5.06108 5.07741 5.08569 5.10431 5.11248 5.11413 5.11881 5.12818 5.13096 5.14090 5.14848 5.15325 5.15753 5.15813 5.16035 5.18369 5.18490 5.21081 5.21535 5.22481 5.22823 5.24131 5.24540 5.26021 5.27538 5.28101 5.29046 5.29857 5.31394 5.31914 5.32471 5.33736 5.34255 5.35552 5.36311 5.36601 5.37601 5.38104 5.38441 5.38780 5.39233 5.39432 5.39870 5.40096 5.40649 5.40726 5.41691 5.42009 5.42399 5.42995 5.43914 5.44595 5.44800 5.45580 5.46056 5.46478 5.47109 5.48143 5.48513 5.49121 5.49305 5.49479 5.50445 5.50571 5.51673 5.52665 5.53851 5.54092 5.54578 5.55079 5.55362 5.55840 5.56215 5.56776 5.57932 5.60230 5.60281 5.60902 5.63300 5.64243 5.64423 5.65878 5.66174 5.67183 5.67437 5.68053 5.68240 5.68510 5.69171 5.69847 5.69975 5.70217 5.70586 5.70801 5.70939 5.71766 5.71848 5.72540 5.73306 5.73433 5.74224 5.75155 5.75494 5.76635 5.77601 5.78377 5.79277 5.81415 5.83047 5.83083 5.84325 5.85893 5.87075 5.88428 5.88728 5.89919 5.91109 5.92082 5.93233 5.93968 5.94450 5.96523 5.98576 6.00569 6.02005 6.02803 6.03177 6.03521 6.04443 6.07924 6.10691 6.12810 6.27610 6.57775 6.62869 6.65214 6.66895 6.71470 6.73529 6.75964 6.76197 6.76699 6.80140 6.82106 6.83878 6.85248 6.89959 6.92424 6.96922 6.98045 7.01261 7.01719 7.03045 7.05050 7.06356 7.07177 7.07209 7.07820 7.08898 7.09215 7.09298 7.09978 7.10198 7.11867 7.12335 7.13486 7.14515 7.14751 7.16791 7.17372 7.18460 7.18854 7.19217 7.19913 7.20202 7.21865 7.22023 7.22772 7.23720 7.24131 7.24749 7.26383 7.28834 7.36910 7.47047 7.47604 7.51414 7.56843 7.59975 7.80569 8.16635 8.17636 14.44405 14.45336 14.45796 14.46590 14.47196 14.47547 14.47998 14.48086 14.48511 14.48873 14.49249 14.49386 14.49715 14.49962 14.50206 14.50761 14.50851 14.50971 14.51392 14.52012 14.52578 14.53206 14.53532 14.53576 14.54234 14.54300 14.54768 14.55035 14.55501 14.56072 14.56343 14.56753 14.57477 14.57804 14.57845 14.58724 14.59439 14.59725 14.60652 14.62349 14.64406 14.65257 14.66907 14.70451 14.71925 14.75429 14.75498 14.76840 14.77603 14.77810 14.78346 14.78737 14.79098 14.79659 14.80162 14.82260 14.82549 14.82733 14.85108 14.87002 15.10722 15.13987 15.15367 15.15968 15.16064 15.17032 15.17413 15.18102 15.18195 15.18467 15.18684 15.19969 15.20224 15.20694 15.24230 16.17190 19.48049 19.48465 19.48552 19.49875 19.51197 19.52491 19.53238 19.56948 19.57228 19.58835 19.63217 19.68342 19.71337 19.73601 19.78481 50.09565 50.11475 50.11952 50.13090 50.13858 50.14257 50.15247 50.16638 50.16743 50.17705 50.19116 50.19461 50.19975 50.20648 50.37410 67.11571 67.17937 67.20367 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 1.288527 -0.479512 -0.475290 -0.542306 -1.124387 0.382470 0.495228 -0.519937 0.245424 -0.652729 0.436901 0.260911 0.210164 -0.674001 0.278324 -0.741937 0.245085 -0.699618 0.373132 0.332879 -0.680682 0.431936 0.214570 -0.713660 0.300613 0.378959 -0.978221 0.425334 0.549643 -0.738623 0.297551 0.422366 -0.709368 0.366005 0.334526 -0.942093 0.545605 0.403949 -0.746828 0.328516 0.387449 -0.644047 0.279234 0.359952 -0.634198 0.373616 0.482284 0.266283 -1.00000 -0.2971 0.2311 0.4177 0.5623 -176.3579 -158.0247 -143.2048 -7.0082 13.9123 -11.9484 -17.1621 1.1711 15.9910 -7.0082 13.9123 -11.9484 -47.1858 -60.8154 -29.9661 -34.4295 48.5344 39.1146 13.5133 -4.3420 -15.4578 24.3380 -6327.5764 -2868.2559 -2178.9389 -273.3560 400.4639 -37.7067 -135.9775 59.1442 -51.3374 -1465.0646 -1222.7908 -704.9206 -75.0827 80.3577 18.0517 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GANDULLAS LAMSABHI 06-Nov-2024 0 Single Point 14H2OBF3OH CONF27 gas -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.461066 RMSD=3.521e-09 Dipole=0.094612,0.0106931,0.1996853 Quadrupole=-11.6924862,12.672334,-0.9798478,-10.4071283,-7.076387,7.6151479 PG=C01 [X(B1F3H29O15)] 0 0.9345973601 0.7634409151 -1.544571854 0 1.8296146353 -0.0442308534 -2.2929020028 0 1.4649462102 2.0596463033 -1.389282876 0 -0.2899005469 0.8553466647 -2.3126834212 0 0.6620415735 0.2028656229 -0.239791245 0 -3.3369331608 1.4303946662 -1.7025208922 0 3.5199093153 -1.9465642835 0.0777882889 0 -1.7946515739 -1.468864922 -1.6304701627 0 -1.3273101093 -0.6764530151 -1.9464731987 0 -0.022548457 2.9750398901 2.6106591669 0 -0.6873342575 2.5262710789 2.0396522767 0 -1.0754637888 -2.0943427788 -1.4241004946 0 0.2104208252 3.776296479 2.1320771712 0 -2.7078815557 2.1468474283 -1.4649511174 0 -1.9153930611 1.9627355202 -1.9902718394 0 3.0711439418 -2.6933991105 0.5687060187 0 3.7066964381 -3.4139191349 0.5956274463 0 1.7215855584 -1.6914891218 2.9498702996 0 1.814904229 -0.7260721967 2.8365917297 0 2.2597191376 -2.0675100724 2.2318926218 0 -5.3535466312 -0.6849548234 0.5548621537 0 -4.4363467398 -0.8560850442 0.8723481452 0 -5.6769024024 0.0439568449 1.0916841063 0 4.1254483772 -0.7280733756 -0.8576570374 0 3.4292372553 -0.5686406201 -1.5167449411 0 4.199336783 0.1404490774 -0.4023155618 0 -1.5083096847 1.4607539828 0.8850716162 0 -2.0160745933 1.8210995979 0.1171266771 0 -0.7253735806 1.0287283056 0.470482475 0 0.3843369504 -2.5591491645 -0.2851698984 0 1.3215394777 -2.8058138458 -0.1875669912 0 -0.0270704781 -2.7709954356 0.5922322087 0 -2.67755783 -1.0145909378 1.0526558579 0 -2.3328044665 -0.0996429025 1.1638000442 0 -2.408906759 -1.2314587443 0.1350361285 0 1.9110814927 0.9895752807 2.074480548 0 1.4727960165 0.7093272725 1.2398759741 0 1.3336317792 1.6971222789 2.4249281306 0 -0.7110759276 -2.7987639126 2.164359437 0 -1.4341527809 -2.1590164845 2.0414814705 0 0.0269255092 -2.3329721959 2.6122335772 0 3.8763811732 1.8035752773 0.2568175195 0 3.2145638619 2.1166460879 -0.378490301 0 3.3438914705 1.6150299376 1.0553690935 0 -4.3147459157 -0.0814268212 -2.0116956088 0 -4.8239584853 -0.2794100103 -1.2021224601 0 0.564987783 -0.7757213907 -0.2580337461 0 -3.6474710352 -0.7836670021 -2.0554489243