Gaussian 16 GINC-HORCAJUELO LAMSABHI Optimization 15-agua-BF3/ CONF92 water EM64L-G16RevC.01 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 49 49 91 91 598 (5D, 7F) 6-311+G(d,p) 141 141 C1[X(BF3H30O15)] C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 307.7972096 0 1 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.8491,1.5949,-.4813;-2.1357,1.4495,-1.0639;-.8073,2.8828,.0926;-.6874,.6296,.5133;.2059,1.4037,-1.4567;3.0412,-1.7529,1.3259;-2.9426,-.2761,-1.3065;.8344,-.9964,3.3499;-.0147,-1.3034,3.0166;-1.9806,-2.4341,.4101;-.9591,-2.4518,.1648;.7093,-.0293,3.4771;-2.4836,-1.9213,-.3394;2.2504,-1.2361,1.1394;1.7792,-1.1279,2.0084;-3.1841,-1.2066,-1.4241;-2.7412,-1.4742,-2.2709;2.6782,1.1305,-.1543;2.5548,.2848,.3319;1.8601,1.2293,-.6805;.4037,1.6607,3.5748;.6352,2.0508,4.4238;.9256,2.1558,2.8932;.3889,-2.58,-.3231;1.0539,-2.1402,.2522;.4335,-2.079,-1.175;4.4161,.4297,-2.1668;4.5323,1.2281,-2.6913;3.8258,.7019,-1.4317;2.9054,-1.1977,-3.7033;3.4631,-.6047,-3.1458;3.2372,-2.0828,-3.523;-2.6168,-1.362,2.6398;-2.4524,-.4015,2.8119;-2.2356,-1.829,3.3916;-1.8674,-1.8967,-3.6512;-1.8422,-2.859,-3.6396;-.9708,-1.6224,-3.3524;1.7632,3.0042,1.6992;2.1693,2.3438,1.1002;1.0095,3.3301,1.1938;.4854,-1.1251,-2.5777;1.3745,-1.1537,-3.0143;.3858,-.2185,-2.224;-2.2951,1.2538,3.1925;-2.5304,1.7349,2.3922;.2076,2.0739,-2.1481;-1.3433,1.4451,3.323;-2.1522,-1.9669,1.2983; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6372176/Gau-323339.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6372176/" chk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF92/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 15-agua-BF3/ CONF92 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 1 1 1 1 2 5 5 5 6 7 8 8 8 10 10 10 11 12 13 14 14 14 16 17 18 18 18 18 21 21 21 23 24 24 26 27 27 27 30 30 30 33 33 33 34 36 36 38 39 39 42 42 45 45 2 3 4 5 7 20 44 47 14 16 9 12 15 11 13 49 24 21 16 15 19 25 17 36 19 20 29 40 22 23 48 39 25 26 42 28 29 31 31 32 43 34 35 49 45 37 38 42 40 41 43 44 46 48 1.4199 1.4106 1.3953 1.4496 1.9204 1.8356 1.8034 0.963 0.9629 0.9685 0.9624 0.9834 1.646 1.0507 1.0381 1.0181 1.4393 1.7202 1.4758 0.9945 1.7486 1.7425 0.9923 1.6874 0.9833 0.9777 1.7698 1.818 0.9626 0.9909 1.7783 1.6874 0.9832 0.9893 1.6972 0.9623 0.9813 1.7136 0.9867 0.9622 1.6794 0.9896 0.9636 1.5433 1.7058 0.9626 0.9841 1.7227 0.9797 0.9642 0.9909 0.9783 0.9629 0.9796 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 2 2 2 3 3 4 1 1 1 1 20 20 44 9 9 12 11 11 13 6 6 6 15 15 19 7 7 13 19 19 19 20 20 29 12 12 12 22 22 23 11 11 25 28 28 29 31 31 32 34 34 35 17 17 37 23 23 40 26 26 26 38 38 43 34 34 46 1 1 1 1 1 1 2 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 16 16 16 18 18 18 18 18 18 21 21 21 21 21 21 24 24 24 27 27 27 30 30 30 33 33 33 36 36 36 39 39 39 42 42 42 42 42 42 45 45 45 3 4 5 4 5 5 7 20 44 47 44 47 47 12 15 15 13 49 49 15 19 25 19 25 25 13 17 17 20 29 40 29 40 40 22 23 48 23 48 48 25 26 26 29 31 31 32 43 43 35 49 49 37 38 38 40 41 41 38 43 44 43 44 44 46 48 48 106.6958 109.0648 111.7078 109.768 111.882 107.6985 121.6411 112.5712 118.5266 113.1144 90.2634 111.6063 108.6911 104.2588 101.4587 104.8958 108.1158 112.0382 108.7566 106.1589 114.4146 112.5838 113.04 100.134 109.6154 104.9322 104.5587 106.5486 104.3553 103.3009 101.3952 100.2917 93.9925 147.2694 113.9273 110.9893 92.7121 106.1171 114.2226 118.7199 113.2818 106.8035 104.2875 104.5218 104.8694 105.1207 104.5972 105.5232 105.1598 105.5987 118.7891 111.6643 104.7184 98.838 104.5463 107.4254 98.7903 103.3744 100.5794 112.0427 102.6415 123.5084 110.1228 106.1056 106.0784 107.9878 104.5123 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 2 10 8 10 8 16 14 5 21 14 24 18 27 33 36 18 30 5 21 10 2 10 8 10 8 16 14 5 21 14 24 18 27 33 36 18 30 5 21 10 7 11 12 13 15 17 19 20 23 25 26 29 31 34 38 40 43 44 48 49 7 11 12 13 15 17 19 20 23 25 26 29 31 34 38 40 43 44 48 49 16 24 21 16 14 36 18 18 39 24 42 27 30 45 42 39 42 42 45 33 16 24 21 16 14 36 18 18 39 24 42 27 30 45 42 39 42 42 45 33 6 1 1 1 1 1 1 8 1 1 1 36 1 2 2 1 6 6 1 1 6 1 1 1 1 1 1 8 1 1 1 36 1 2 2 1 6 6 1 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 170.2538 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 183.1816 175.1586 180.2456 175.7871 176.094 177.1489 173.1402 178.1503 175.915 176.1982 176.3209 179.3597 182.9431 173.5826 171.2779 178.122 176.6493 180.5634 185.567 183.7674 186.9197 178.4364 178.9 185.446 177.2007 181.9247 183.3353 179.0069 175.588 179.4006 180.4397 180.1079 175.7103 173.2924 182.0107 179.5994 177.8531 175.7215 173.5301 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 3 4 5 2 2 2 3 3 3 4 4 4 1 1 1 1 1 44 44 44 47 47 47 1 1 1 20 20 20 47 47 47 9 9 9 12 12 12 9 9 9 15 15 15 11 11 49 49 13 13 49 49 11 11 13 13 6 6 6 15 15 15 25 25 25 6 6 15 15 19 19 7 7 13 13 19 19 20 20 40 40 19 19 20 20 29 29 12 12 22 22 48 48 12 12 22 22 23 23 11 11 11 25 25 25 28 28 29 29 31 31 31 32 32 32 35 35 49 49 17 17 17 37 37 37 1 1 1 1 1 1 1 1 1 1 1 1 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 21 21 21 21 21 21 21 21 21 21 21 21 24 24 24 24 24 24 27 27 27 27 30 30 30 30 30 30 33 33 33 33 36 36 36 36 36 36 2 2 2 5 5 5 5 5 5 5 5 5 16 16 18 18 18 18 18 18 18 18 18 42 42 42 42 42 42 42 42 42 14 14 14 14 14 14 21 21 21 21 21 21 16 16 16 16 24 24 24 24 33 33 33 33 18 18 18 18 18 18 18 18 18 24 24 24 24 24 24 36 36 36 36 27 27 27 27 27 27 39 39 39 39 39 39 39 39 39 39 39 39 45 45 45 45 45 45 42 42 42 42 42 42 30 30 30 30 42 42 42 42 42 42 45 45 45 45 42 42 42 42 42 42 7 7 7 20 44 47 20 44 47 20 44 47 13 17 19 29 40 19 29 40 19 29 40 26 38 43 26 38 43 26 38 43 6 19 25 6 19 25 22 23 48 22 23 48 7 17 7 17 25 26 25 26 34 35 34 35 20 29 40 20 29 40 20 29 40 11 26 11 26 11 26 37 38 37 38 28 31 28 31 28 31 23 41 23 41 23 41 40 41 40 41 40 41 34 46 34 46 34 46 38 43 44 38 43 44 32 43 32 43 26 38 44 26 38 44 46 48 46 48 26 43 44 26 43 44 -154.1056 -35.6001 83.3328 -167.773 -64.3813 64.5652 72.6811 176.0729 -54.9807 -48.0323 55.3595 -175.6941 27.2608 -82.1081 65.624 173.0151 -36.1206 -55.4572 51.9339 -157.2019 -166.5089 -59.1178 91.7465 -47.8134 57.7358 -164.7784 67.6572 173.2065 -49.3077 -179.4059 -73.8566 63.6292 -127.6105 103.3606 -11.1602 124.8218 -4.2071 -118.7279 129.3242 -110.0843 11.4317 -125.6415 -5.0501 116.466 -72.4688 37.9664 49.4994 159.9345 118.1199 3.0026 -3.0585 -118.1758 63.6056 -62.3784 -58.1948 175.8212 148.7525 44.8684 -114.4293 -88.6869 167.429 8.1313 21.467 -82.4172 118.2852 134.575 -111.3985 21.072 135.0985 -97.7886 16.2379 161.8143 54.6105 52.2952 -54.9085 177.6009 68.0554 70.4587 -39.0867 -43.1174 -152.6628 -14.1745 -115.9198 90.7015 -11.0438 -157.6228 100.6319 8.2022 115.0257 133.2484 -119.928 -96.8207 10.0028 -7.7943 -120.0957 -124.9312 122.7674 107.2926 -5.0088 -45.2808 -179.0086 68.043 -164.3551 61.9171 -51.0314 144.2187 -105.2157 -105.945 4.6206 -76.8506 162.6921 33.7704 33.1117 -87.3455 143.7328 170.5367 58.041 42.4687 -70.027 55.5692 -178.9686 -50.7868 -50.57 74.8922 -156.926 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 617 A 598 A 924 617 2108.4262616008 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 598 RedAO= T EigKep= 1.01D-04 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Berny optimization. local minimum Step number 49 out of a maximum of 294 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00077 0.00158 0.00210 0.00234 0.00248 0.00321 0.00344 0.00367 0.00387 0.00411 0.00433 0.00471 0.00532 0.00580 0.00642 0.00768 0.00839 0.00885 0.00909 0.00968 0.01148 0.01296 0.01431 0.01485 0.01561 0.01685 0.01778 0.01837 0.02125 0.02294 0.02398 0.02571 0.02662 0.02779 0.02875 0.02996 0.03050 0.03181 0.03513 0.03642 0.03709 0.03787 0.03925 0.03995 0.04053 0.04108 0.04179 0.04345 0.04348 0.04405 0.04537 0.04703 0.05026 0.05067 0.05170 0.05320 0.05322 0.05513 0.05550 0.05577 0.05687 0.05874 0.05988 0.06109 0.06135 0.06253 0.06422 0.06454 0.06626 0.06701 0.06887 0.06927 0.07038 0.07080 0.07232 0.07276 0.07456 0.07506 0.07633 0.07676 0.07735 0.07869 0.07891 0.08030 0.08240 0.08305 0.08342 0.08749 0.08896 0.08965 0.09200 0.09600 0.10009 0.10196 0.10279 0.10969 0.11670 0.11911 0.12226 0.12284 0.12944 0.13346 0.14196 0.18243 0.19681 0.21749 0.23410 0.35238 0.36719 0.39259 0.39579 0.42016 0.42354 0.42449 0.42962 0.44924 0.46237 0.47140 0.47767 0.48096 0.48364 0.49021 0.49230 0.49364 0.49873 0.50275 0.50528 0.51325 0.51916 0.53502 0.53861 0.54385 0.54757 0.54841 0.54880 0.54956 0.54994 0.55177 0.55549 0.59904 0.60193 -7.97846233e-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 A99 A100 A101 A102 A103 A104 A105 A106 A107 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 2.70694 2.72764 2.65027 2.71856 3.45530 3.44665 3.43523 1.82265 1.82424 1.84001 1.84682 1.85240 3.21473 1.97249 1.94606 1.90853 2.80100 3.40082 2.88453 1.87656 3.36508 3.31615 1.86771 3.30646 1.85840 1.85230 3.32176 3.47326 1.82334 1.86831 3.44929 3.29155 1.86197 1.86690 3.29911 1.82370 1.86400 3.32263 1.86331 1.82388 3.32932 1.87168 1.82508 3.02181 3.31722 1.82401 1.86151 3.31463 1.85448 1.83461 1.86205 1.85222 1.83196 1.85322 1.85158 1.90668 1.96114 1.88754 1.96146 1.89358 2.05330 1.92592 1.95087 1.97441 1.45557 2.08367 2.01554 1.81669 1.84036 1.84411 1.87549 1.90340 1.89368 1.85445 1.99350 2.00726 1.97374 1.88085 1.75419 1.82930 1.82388 1.82288 1.84246 1.83623 1.79824 1.83219 1.58624 2.48225 2.16147 1.96561 1.55599 1.86187 2.12845 1.74277 1.89281 1.86713 1.82732 1.83884 1.94544 1.83981 1.83514 1.80141 1.90556 1.85430 2.08320 1.98820 1.91720 1.72649 1.83538 1.88440 1.74589 1.80186 1.63755 1.94090 1.86047 2.14714 1.99357 1.85745 1.85899 1.76335 1.80843 3.01222 3.15268 3.02124 3.13749 3.08523 3.04394 3.16675 3.07665 2.97212 3.06286 3.10274 3.07971 3.06929 3.25443 3.02425 2.93370 3.10987 3.06581 2.97199 3.20247 3.19578 3.19445 3.09154 3.08980 3.17455 3.09039 3.14071 3.25738 3.11607 3.12119 3.15350 3.18994 3.14706 3.26444 3.07421 3.17091 3.13690 3.06191 3.09014 3.17997 -2.44576 -0.41486 1.68759 -2.82913 -1.24222 1.06868 1.36713 2.95404 -1.01824 -0.71914 0.86777 -3.10451 0.41364 -1.46408 0.89923 2.86821 -0.88953 -1.04711 0.92187 -2.83587 -3.08745 -1.11846 1.40698 -0.81015 0.93667 -2.86976 1.09386 2.84068 -0.96575 -3.10388 -1.35707 1.11969 -2.45063 1.61134 -0.28755 1.92400 -0.29722 -2.19611 2.19226 -1.77812 -0.04389 -2.18856 0.12424 1.85847 -1.31467 0.59202 0.73785 2.64454 2.14838 0.18145 0.09433 -1.87260 1.53232 -2.52118 -0.52491 1.70477 2.65998 0.72604 -1.96611 -1.50326 2.84598 0.15383 0.50178 -1.43216 2.15888 2.36076 -1.95780 0.27967 2.24429 -1.77822 0.18640 2.77944 0.87761 0.88929 -1.01254 -2.88093 1.34098 1.47409 -0.58718 -0.48663 -2.54790 0.09276 -1.69874 1.92957 0.13807 -2.40603 2.08566 -0.23820 1.61585 2.24741 -2.18173 -1.81968 0.03436 0.00812 -1.88171 -2.27696 2.11640 1.97200 0.08217 -0.89202 -3.12511 1.14117 -2.88792 1.16217 -0.85473 2.25395 -2.04167 -2.05365 -0.06609 -1.24731 3.12270 0.76136 0.69270 -1.22048 2.70137 -2.50998 1.90241 -0.15606 -2.02685 1.07163 3.14145 -0.83274 -0.88653 1.18328 -2.79090 0.00003 -0.00002 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00002 -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 0.00001 -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 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00002 -0.00001 -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 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 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 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -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 0.00004 0.00005 -0.00004 -0.00002 0.00008 -0.00019 0.00003 0.00001 -0.00000 -0.00002 -0.00000 0.00001 0.00004 0.00003 -0.00001 -0.00000 -0.00018 -0.00010 -0.00001 0.00000 0.00003 0.00005 0.00001 -0.00020 -0.00001 0.00003 -0.00010 -0.00005 -0.00000 -0.00002 0.00017 0.00010 -0.00002 0.00002 -0.00007 -0.00001 0.00001 -0.00002 -0.00001 -0.00000 -0.00009 -0.00001 0.00001 -0.00005 -0.00014 0.00000 -0.00000 -0.00006 -0.00002 -0.00001 -0.00000 0.00000 -0.00003 -0.00001 -0.00009 -0.00001 0.00001 0.00003 0.00004 0.00003 -0.00003 0.00006 -0.00003 -0.00009 0.00012 -0.00003 0.00001 0.00006 0.00009 -0.00004 0.00006 0.00004 0.00012 0.00000 0.00001 0.00003 0.00002 -0.00009 0.00003 0.00013 -0.00005 -0.00002 -0.00002 -0.00006 -0.00002 0.00004 -0.00005 0.00009 0.00014 0.00014 -0.00015 0.00011 -0.00018 -0.00016 0.00008 0.00007 -0.00002 0.00005 0.00000 -0.00001 0.00002 0.00013 -0.00003 0.00002 -0.00007 0.00008 -0.00001 0.00005 -0.00003 -0.00010 0.00013 0.00001 -0.00002 -0.00006 -0.00007 0.00016 -0.00002 -0.00002 0.00001 -0.00003 -0.00004 -0.00031 -0.00001 0.00003 0.00016 0.00005 -0.00024 -0.00014 0.00024 -0.00010 -0.00011 -0.00001 0.00013 -0.00014 -0.00008 0.00015 0.00031 0.00008 -0.00006 -0.00004 0.00003 -0.00030 0.00006 0.00019 -0.00001 0.00003 0.00001 0.00001 -0.00007 -0.00006 0.00005 0.00013 0.00017 0.00005 -0.00016 0.00004 0.00004 -0.00007 -0.00002 0.00001 0.00007 0.00007 0.00005 0.00008 -0.00013 0.00002 -0.00007 -0.00005 0.00010 0.00001 -0.00013 0.00002 -0.00007 -0.00018 -0.00016 0.00007 -0.00001 0.00007 0.00006 -0.00002 0.00006 0.00001 -0.00007 0.00001 -0.00021 -0.00030 -0.00007 -0.00011 -0.00019 0.00003 -0.00008 -0.00017 0.00006 0.00001 -0.00002 -0.00003 -0.00009 -0.00011 -0.00012 -0.00039 0.00007 -0.00013 -0.00027 0.00020 -0.00001 0.00006 0.00006 0.00025 0.00025 0.00012 0.00007 -0.00007 -0.00013 -0.00013 -0.00006 -0.00030 -0.00023 0.00008 0.00007 -0.00001 0.00012 0.00011 0.00003 0.00001 0.00000 -0.00008 0.00005 0.00011 0.00009 0.00015 0.00010 0.00017 0.00014 0.00017 0.00006 0.00009 0.00015 0.00006 0.00016 0.00008 0.00001 -0.00008 0.00001 -0.00020 0.00000 -0.00021 0.00015 -0.00007 -0.00006 -0.00003 0.00045 0.00048 0.00018 0.00021 0.00009 0.00010 0.00013 0.00014 0.00021 0.00022 -0.00001 -0.00014 -0.00006 -0.00013 -0.00026 -0.00018 -0.00018 -0.00018 -0.00014 -0.00014 0.00009 0.00002 -0.00003 0.00017 0.00010 0.00005 -0.00007 -0.00004 -0.00010 -0.00006 0.00001 -0.00004 0.00009 -0.00001 -0.00006 0.00007 0.00003 -0.00005 0.00002 -0.00001 0.00001 0.00003 0.00006 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00005 0.00002 0.00000 0.00001 -0.00004 -0.00001 -0.00000 0.00001 0.00005 0.00005 0.00001 -0.00004 -0.00000 -0.00001 0.00003 0.00001 -0.00001 -0.00001 0.00003 0.00003 0.00001 0.00001 -0.00012 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00016 0.00000 -0.00001 -0.00008 0.00000 0.00000 0.00001 -0.00005 0.00001 -0.00000 0.00002 -0.00000 0.00003 0.00002 0.00002 0.00000 -0.00001 -0.00002 0.00000 -0.00000 -0.00001 -0.00002 -0.00006 0.00002 0.00006 0.00000 0.00000 -0.00001 0.00016 -0.00006 -0.00006 -0.00002 0.00002 0.00001 0.00004 0.00001 -0.00001 -0.00010 0.00004 -0.00006 0.00001 -0.00000 0.00001 -0.00006 0.00001 0.00001 0.00001 0.00003 0.00010 0.00006 -0.00007 0.00006 -0.00004 -0.00017 -0.00003 -0.00001 0.00002 -0.00002 -0.00000 -0.00004 0.00001 0.00006 -0.00002 0.00008 0.00002 0.00012 0.00003 -0.00006 0.00004 -0.00003 0.00009 0.00002 0.00001 -0.00002 -0.00002 0.00005 -0.00002 -0.00000 -0.00007 -0.00002 0.00000 0.00007 -0.00004 0.00012 0.00005 -0.00001 0.00005 0.00002 -0.00004 0.00005 0.00003 0.00006 -0.00005 0.00005 -0.00002 0.00001 -0.00004 0.00000 -0.00002 -0.00012 0.00002 0.00003 0.00008 0.00001 0.00011 -0.00007 -0.00001 0.00011 0.00004 0.00004 -0.00001 -0.00007 -0.00011 -0.00006 0.00007 -0.00000 -0.00010 0.00004 0.00009 0.00008 0.00003 -0.00000 -0.00001 -0.00001 -0.00001 0.00003 -0.00001 -0.00003 0.00000 -0.00003 -0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00001 -0.00005 -0.00001 0.00003 -0.00001 0.00003 -0.00001 -0.00005 -0.00001 0.00003 0.00004 0.00009 0.00002 0.00004 0.00008 0.00004 0.00005 0.00010 0.00004 0.00003 0.00003 0.00002 0.00000 0.00000 -0.00023 0.00005 -0.00016 -0.00005 0.00023 0.00002 -0.00002 -0.00001 -0.00005 -0.00005 0.00001 0.00000 0.00005 0.00005 0.00000 0.00029 0.00008 0.00036 -0.00008 -0.00004 -0.00005 -0.00003 0.00001 0.00000 -0.00012 -0.00008 -0.00009 -0.00005 -0.00006 0.00001 0.00000 0.00002 0.00002 -0.00002 -0.00004 0.00004 0.00001 -0.00008 -0.00001 -0.00007 0.00000 -0.00006 0.00001 0.00012 0.00004 0.00013 0.00005 0.00020 0.00012 -0.00028 -0.00022 -0.00005 0.00001 -0.00015 -0.00010 0.00009 0.00018 0.00002 0.00011 0.00015 0.00024 -0.00004 -0.00009 -0.00005 -0.00002 -0.00007 -0.00003 0.00011 0.00014 0.00006 0.00009 0.00002 0.00002 -0.00001 0.00005 0.00005 0.00001 -0.00047 -0.00043 -0.00015 -0.00012 -0.00001 -0.00001 0.00002 -0.00003 -0.00003 -0.00000 0.00007 0.00000 -0.00003 -0.00002 0.00008 -0.00016 0.00009 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00005 -0.00001 0.00001 -0.00022 -0.00011 -0.00002 0.00001 0.00008 0.00010 0.00003 -0.00024 -0.00001 0.00003 -0.00006 -0.00003 -0.00001 -0.00003 0.00021 0.00012 -0.00001 0.00003 -0.00019 -0.00000 0.00001 -0.00003 -0.00000 0.00000 -0.00025 -0.00000 0.00000 -0.00013 -0.00013 0.00000 0.00001 -0.00011 -0.00002 -0.00002 0.00002 -0.00000 -0.00000 0.00001 -0.00006 -0.00001 -0.00001 0.00001 0.00004 0.00002 -0.00004 0.00005 -0.00009 -0.00007 0.00018 -0.00003 0.00001 0.00005 0.00026 -0.00010 -0.00000 0.00001 0.00014 0.00001 0.00004 0.00005 0.00001 -0.00019 0.00007 0.00007 -0.00004 -0.00002 -0.00001 -0.00012 -0.00001 0.00006 -0.00004 0.00012 0.00024 0.00020 -0.00022 0.00017 -0.00022 -0.00033 0.00005 0.00005 0.00001 0.00003 0.00000 -0.00006 0.00002 0.00019 -0.00005 0.00010 -0.00005 0.00020 0.00002 -0.00001 0.00001 -0.00013 0.00022 0.00003 -0.00002 -0.00009 -0.00010 0.00022 -0.00004 -0.00003 -0.00006 -0.00005 -0.00003 -0.00024 -0.00005 0.00015 0.00021 0.00004 -0.00018 -0.00011 0.00020 -0.00005 -0.00008 0.00005 0.00008 -0.00009 -0.00010 0.00015 0.00027 0.00008 -0.00008 -0.00016 0.00005 -0.00028 0.00014 0.00020 0.00010 -0.00005 -0.00000 0.00012 -0.00002 -0.00002 0.00004 0.00006 0.00005 -0.00001 -0.00010 0.00004 -0.00006 -0.00003 0.00007 0.00010 0.00010 0.00007 0.00004 0.00006 -0.00014 0.00005 -0.00008 -0.00008 0.00010 -0.00002 -0.00014 0.00005 -0.00008 -0.00018 -0.00015 0.00006 -0.00006 0.00006 0.00009 -0.00003 0.00009 -0.00000 -0.00012 -0.00000 -0.00018 -0.00025 0.00002 -0.00009 -0.00016 0.00011 -0.00004 -0.00011 0.00016 0.00005 0.00001 -0.00000 -0.00007 -0.00011 -0.00012 -0.00062 0.00012 -0.00029 -0.00032 0.00042 0.00002 0.00004 0.00005 0.00019 0.00021 0.00013 0.00007 -0.00002 -0.00008 -0.00013 0.00022 -0.00022 0.00013 0.00000 0.00003 -0.00006 0.00009 0.00012 0.00003 -0.00011 -0.00008 -0.00017 -0.00001 0.00006 0.00009 0.00015 0.00013 0.00019 0.00013 0.00013 0.00010 0.00010 0.00006 0.00005 0.00009 0.00008 -0.00006 -0.00007 0.00013 -0.00017 0.00013 -0.00017 0.00035 0.00005 -0.00034 -0.00025 0.00041 0.00049 0.00002 0.00011 0.00018 0.00028 0.00015 0.00025 0.00036 0.00046 -0.00004 -0.00023 -0.00011 -0.00015 -0.00034 -0.00022 -0.00007 -0.00004 -0.00008 -0.00005 0.00011 0.00005 -0.00004 0.00022 0.00015 0.00006 -0.00054 -0.00047 -0.00025 -0.00018 -0.00000 -0.00005 0.00011 -0.00004 -0.00009 0.00007 2.70701 2.72764 2.65024 2.71853 3.45538 3.44649 3.43532 1.82266 1.82424 1.84001 1.84683 1.85241 3.21471 1.97254 1.94605 1.90854 2.80078 3.40072 2.88452 1.87657 3.36516 3.31625 1.86774 3.30622 1.85839 1.85233 3.32169 3.47322 1.82332 1.86828 3.44950 3.29167 1.86196 1.86693 3.29893 1.82370 1.86401 3.32260 1.86330 1.82388 3.32907 1.87167 1.82508 3.02168 3.31709 1.82401 1.86151 3.31452 1.85446 1.83459 1.86207 1.85222 1.83196 1.85323 1.85152 1.90667 1.96113 1.88755 1.96151 1.89360 2.05326 1.92597 1.95078 1.97434 1.45575 2.08364 2.01555 1.81674 1.84061 1.84401 1.87548 1.90342 1.89382 1.85445 1.99354 2.00730 1.97375 1.88066 1.75427 1.82937 1.82385 1.82286 1.84245 1.83611 1.79824 1.83225 1.58619 2.48237 2.16171 1.96581 1.55577 1.86204 2.12823 1.74244 1.89286 1.86718 1.82733 1.83887 1.94544 1.83975 1.83516 1.80160 1.90552 1.85440 2.08315 1.98840 1.91722 1.72648 1.83539 1.88427 1.74611 1.80189 1.63753 1.94081 1.86037 2.14736 1.99353 1.85742 1.85893 1.76330 1.80840 3.01198 3.15263 3.02139 3.13770 3.08528 3.04376 3.16663 3.07685 2.97207 3.06279 3.10279 3.07978 3.06921 3.25432 3.02441 2.93397 3.10996 3.06573 2.97183 3.20252 3.19550 3.19459 3.09174 3.08989 3.17450 3.09038 3.14083 3.25736 3.11605 3.12123 3.15356 3.18999 3.14704 3.26435 3.07425 3.17085 3.13687 3.06198 3.09024 3.18007 -2.44569 -0.41481 1.68765 -2.82927 -1.24218 1.06861 1.36705 2.95414 -1.01826 -0.71928 0.86781 -3.10459 0.41346 -1.46423 0.89929 2.86815 -0.88947 -1.04702 0.92184 -2.83578 -3.08745 -1.11859 1.40698 -0.81033 0.93642 -2.86974 1.09378 2.84052 -0.96563 -3.10393 -1.35718 1.11985 -2.45058 1.61135 -0.28755 1.92393 -0.29733 -2.19623 2.19164 -1.77800 -0.04418 -2.18888 0.12466 1.85849 -1.31463 0.59207 0.73804 2.64475 2.14851 0.18152 0.09431 -1.87268 1.53219 -2.52096 -0.52513 1.70490 2.65998 0.72607 -1.96617 -1.50317 2.84610 0.15386 0.50167 -1.43224 2.15871 2.36076 -1.95774 0.27976 2.24444 -1.77810 0.18659 2.77956 0.87774 0.88939 -1.01243 -2.88087 1.34103 1.47418 -0.58710 -0.48668 -2.54797 0.09289 -1.69891 1.92970 0.13790 -2.40568 2.08571 -0.23854 1.61560 2.24782 -2.18124 -1.81966 0.03447 0.00831 -1.88143 -2.27681 2.11665 1.97236 0.08262 -0.89206 -3.12535 1.14106 -2.88807 1.16183 -0.85495 2.25388 -2.04171 -2.05373 -0.06614 -1.24720 3.12275 0.76131 0.69291 -1.22032 2.70143 -2.51052 1.90195 -0.15631 -2.02703 1.07163 3.14140 -0.83263 -0.88658 1.18319 -2.79083 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000026 0.000005 0.001685 0.000269 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.897115e-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 5 5 5 6 7 8 8 8 10 10 10 11 12 13 14 14 14 16 17 18 18 18 18 21 21 21 23 24 24 26 27 27 27 30 30 30 33 33 33 34 36 36 38 39 39 42 42 45 45 2 3 4 5 7 20 44 47 14 16 9 12 15 11 13 49 24 21 16 15 19 25 17 36 19 20 29 40 22 23 48 39 25 26 42 28 29 31 31 32 43 34 35 49 45 37 38 42 40 41 43 44 46 48 1.4325 1.4434 1.4025 1.4386 1.8285 1.8239 1.8178 0.9645 0.9653 0.9737 0.9773 0.9802 1.7012 1.0438 1.0298 1.0099 1.4822 1.7996 1.5264 0.993 1.7807 1.7548 0.9884 1.7497 0.9834 0.9802 1.7578 1.838 0.9649 0.9887 1.8253 1.7418 0.9853 0.9879 1.7458 0.9651 0.9864 1.7583 0.986 0.9652 1.7618 0.9904 0.9658 1.5991 1.7554 0.9652 0.9851 1.754 0.9813 0.9708 0.9854 0.9802 0.9694 0.9807 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 2 2 2 3 3 4 1 1 1 1 20 20 44 9 9 12 11 11 13 6 6 6 15 15 19 7 7 13 19 19 19 20 20 29 12 12 12 22 22 23 11 11 25 28 28 29 31 31 32 34 34 35 17 17 37 23 23 40 26 26 26 38 38 43 34 34 46 1 1 1 1 1 1 2 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 16 16 16 18 18 18 18 18 18 21 21 21 21 21 21 24 24 24 27 27 27 30 30 30 33 33 33 36 36 36 39 39 39 42 42 42 42 42 42 45 45 45 3 4 5 4 5 5 7 20 44 47 44 47 47 12 15 15 13 49 49 15 19 25 19 25 25 13 17 17 20 29 40 29 40 40 22 23 48 23 48 48 25 26 26 29 31 31 32 43 43 35 49 49 37 38 38 40 41 41 38 43 44 43 44 44 46 48 48 106.0877 109.2447 112.3648 108.1481 112.3836 108.494 117.6452 110.3471 111.7766 113.1253 83.398 119.3855 115.4817 104.0889 105.4448 105.6595 107.4575 109.057 108.4997 106.2519 114.2192 115.0073 113.0872 107.7648 100.5079 104.811 104.5008 104.4433 105.5655 105.2084 103.0317 104.9767 90.8847 142.2227 123.8431 112.6214 89.1518 106.6774 121.9514 99.8531 108.4499 106.9787 104.6976 105.3578 111.4655 105.4131 105.1455 103.2134 109.1806 106.2436 119.3586 113.9152 109.8477 98.9205 105.1595 107.9681 100.0321 103.239 93.8249 111.2053 106.5969 123.0221 114.2231 106.4241 106.5126 101.0326 103.6156 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 2 10 8 10 8 16 14 5 21 14 24 18 27 33 36 18 30 5 21 10 2 10 8 10 8 16 14 5 21 14 24 18 27 33 36 18 30 5 21 7 11 12 13 15 17 19 20 23 25 26 29 31 34 38 40 43 44 48 49 7 11 12 13 15 17 19 20 23 25 26 29 31 34 38 40 43 44 48 16 24 21 16 14 36 18 18 39 24 42 27 30 45 42 39 42 42 45 33 16 24 21 16 14 36 18 18 39 24 42 27 30 45 42 39 42 42 45 6 1 1 1 1 1 1 8 1 1 1 36 1 2 2 1 6 6 1 1 6 1 1 1 1 1 1 8 1 1 1 36 1 2 2 1 6 6 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 172.5876 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 180.6353 173.1045 179.7648 176.7708 174.4051 181.4413 176.2791 170.29 175.4892 177.7739 176.4543 175.8575 186.4651 173.277 168.0885 178.1826 175.6581 170.2827 183.4882 183.1047 183.0284 177.1325 177.0324 181.8881 177.0661 179.9493 186.6344 178.5376 178.831 180.6821 182.7701 180.313 187.0387 176.1394 181.6798 179.7312 175.4344 177.0523 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 3 4 5 2 2 2 3 3 3 4 4 4 1 1 1 1 1 44 44 44 47 47 47 1 1 1 20 20 20 47 47 47 9 9 9 12 12 12 9 9 9 15 15 15 11 11 49 49 13 13 49 49 11 11 13 13 6 6 6 15 15 15 25 25 25 6 6 15 15 19 19 7 7 13 13 19 19 20 20 40 40 19 19 20 20 29 29 12 12 22 22 48 48 12 12 22 22 23 23 11 11 11 25 25 25 28 28 29 29 31 31 31 32 32 32 35 35 49 49 17 17 17 37 37 1 1 1 1 1 1 1 1 1 1 1 1 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 21 21 21 21 21 21 21 21 21 21 21 21 24 24 24 24 24 24 27 27 27 27 30 30 30 30 30 30 33 33 33 33 36 36 36 36 36 2 2 2 5 5 5 5 5 5 5 5 5 16 16 18 18 18 18 18 18 18 18 18 42 42 42 42 42 42 42 42 42 14 14 14 14 14 14 21 21 21 21 21 21 16 16 16 16 24 24 24 24 33 33 33 33 18 18 18 18 18 18 18 18 18 24 24 24 24 24 24 36 36 36 36 27 27 27 27 27 27 39 39 39 39 39 39 39 39 39 39 39 39 45 45 45 45 45 45 42 42 42 42 42 42 30 30 30 30 42 42 42 42 42 42 45 45 45 45 42 42 42 42 42 7 7 7 20 44 47 20 44 47 20 44 47 13 17 19 29 40 19 29 40 19 29 40 26 38 43 26 38 43 26 38 43 6 19 25 6 19 25 22 23 48 22 23 48 7 17 7 17 25 26 25 26 34 35 34 35 20 29 40 20 29 40 20 29 40 11 26 11 26 11 26 37 38 37 38 28 31 28 31 28 31 23 41 23 41 23 41 40 41 40 41 40 41 34 46 34 46 34 46 38 43 44 38 43 44 32 43 32 43 26 38 44 26 38 44 46 48 46 48 26 43 44 26 43 -140.1315 -23.7695 96.6915 -162.0971 -71.1742 61.2311 78.331 169.2538 -58.3409 -41.2035 49.7193 -177.8754 23.7001 -83.8857 51.5219 164.3364 -50.9664 -59.9952 52.8193 -162.4835 -176.8977 -64.0832 80.614 -46.4181 53.6671 -164.4251 62.6737 162.759 -55.3333 -177.8394 -77.7542 64.1536 -140.4105 92.323 -16.4753 110.2369 -17.0296 -125.8279 125.6075 -101.8788 -2.5145 -125.3954 7.1183 106.4826 -75.3251 33.9204 42.2755 151.5211 123.0932 10.3962 5.4049 -107.2921 87.7957 -144.4531 -30.0751 97.6761 152.4057 41.5989 -112.6497 -86.1306 163.0626 8.814 28.7499 -82.0569 123.6945 135.2618 -112.1737 16.0239 128.5884 -101.8847 10.6799 159.2499 50.2834 50.9524 -58.0141 -165.0652 76.8327 84.459 -33.6431 -27.8816 -145.9837 5.3147 -97.3308 110.5563 7.9108 -137.8551 119.4994 -13.6477 92.5813 128.7671 -125.0039 -104.2602 1.9689 0.4655 -107.814 -130.46 121.2606 112.9873 4.7079 -51.109 -179.0558 65.3843 -165.4655 66.5876 -48.9723 129.1418 -116.9791 -117.6655 -3.7864 -71.4657 178.9176 43.6226 39.6885 -69.9282 154.7768 -143.8111 109.0003 -8.9415 -116.1301 61.4001 179.9918 -47.7123 -50.7946 67.7971 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0561467670 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.8491,1.5949,-.4813;-2.1357,1.4495,-1.0639;-.8073,2.8828,.0926;-.6874,.6296,.5133;.2059,1.4036,-1.4567;3.0412,-1.7529,1.3259;-2.9426,-.2761,-1.3065;.8344,-.9964,3.3499;-.0147,-1.3034,3.0166;-1.9806,-2.4341,.4101;-.9591,-2.4518,.1649;.7093,-.0293,3.4771;-2.4836,-1.9213,-.3394;2.2504,-1.2361,1.1394;1.7792,-1.1279,2.0084;-3.1841,-1.2066,-1.4241;-2.7412,-1.4742,-2.2709;2.6782,1.1305,-.1543;2.5548,.2848,.3319;1.8601,1.2293,-.6805;.4037,1.6607,3.5748;.6352,2.0508,4.4238;.9256,2.1558,2.8932;.3889,-2.58,-.3231;1.0539,-2.1402,.2522;.4335,-2.079,-1.175;4.4161,.4297,-2.1668;4.5323,1.2281,-2.6913;3.8257,.7019,-1.4317;2.9054,-1.1977,-3.7033;3.4631,-.6047,-3.1458;3.2372,-2.0828,-3.523;-2.6168,-1.362,2.6398;-2.4524,-.4015,2.812;-2.2356,-1.829,3.3916;-1.8674,-1.8967,-3.6512;-1.8422,-2.859,-3.6396;-.9708,-1.6224,-3.3524;1.7632,3.0042,1.6992;2.1693,2.3438,1.1002;1.0095,3.3301,1.1938;.4854,-1.1251,-2.5778;1.3745,-1.1537,-3.0143;.3858,-.2185,-2.224;-2.2951,1.2538,3.1925;-2.5304,1.7349,2.3922;.2076,2.0739,-2.1481;-1.3433,1.4451,3.323;-2.1522,-1.9669,1.2983; 0.000000 1.419862 0.000000 1.410576 2.270796 0.000000 1.395340 2.292867 2.295224 0.000000 1.449553 2.374812 2.369607 2.297381 0.000000 5.441308 6.539627 6.149910 4.498782 5.073990 0.000000 2.926529 1.920361 4.061513 3.036087 3.571733 6.701904 0.000000 4.922012 5.855330 5.324701 3.606374 5.409099 3.088522 6.038696 0.000000 4.618599 5.359824 5.167405 3.233555 5.233301 3.521194 5.321383 0.962400 0.000000 4.278727 4.156789 5.454033 3.327054 4.795193 5.149831 2.920401 4.316644 3.455027 0.000000 4.099501 4.256176 5.337297 3.112995 4.341844 4.223548 3.291347 3.934359 3.216091 1.050697 0.000000 4.553555 5.558871 4.715354 3.342012 5.162285 3.610624 6.023249 0.983407 1.536073 4.735490 4.429792 0.000000 3.880144 3.465299 5.106469 3.234299 4.420083 5.772749 1.962770 5.047310 4.211924 1.038125 1.691148 5.323518 0.000000 4.499800 5.595115 5.235524 3.536073 4.229435 0.962880 5.819906 2.636089 2.942644 4.457425 3.567726 3.049026 5.006742 0.000000 4.529916 5.604343 5.142561 3.377639 4.570704 1.564991 5.831743 1.646020 2.065190 4.289120 3.556611 2.123368 4.930826 0.994513 0.000000 3.766937 2.878196 4.967198 3.654947 4.278630 6.827463 0.968500 6.243618 5.456572 2.513783 3.004318 6.369121 1.475768 6.008835 6.035074 0.000000 4.025218 3.220489 5.320678 4.049171 4.198870 6.815474 1.551084 6.678787 5.951541 2.947462 3.172516 6.858050 1.999204 6.050085 6.234309 0.992321 0.000000 3.572761 4.909505 3.909027 3.467567 2.807699 3.261416 5.907594 4.494763 4.819804 5.893169 5.115186 4.290609 5.999357 2.730850 3.253682 6.437476 6.374552 0.000000 3.736844 5.030473 4.255624 3.265494 3.157255 2.318796 5.763688 3.702585 4.041276 5.288483 4.456947 3.660143 5.541021 1.748650 2.325526 6.184046 6.157649 0.983309 0.000000 2.740984 4.020193 3.232134 2.876478 1.835551 3.783355 5.071855 4.716889 4.857710 5.418498 4.713050 4.493724 5.376797 3.089057 3.576743 5.650671 5.568691 0.977719 1.549050 0.000000 4.245661 5.292540 3.884023 3.409828 5.042002 4.864872 6.227091 2.701151 3.045134 5.698082 5.513487 1.720185 6.040620 4.211100 3.481669 6.788477 7.341043 4.400141 4.127531 4.518244 0.000000 5.144969 6.176919 4.640266 4.365958 5.931621 5.463964 7.145058 3.237057 3.695080 6.562541 6.399592 2.286639 6.942141 4.919422 4.153004 7.706884 8.285239 5.097145 4.852567 5.313111 0.962578 0.000000 3.853717 5.052624 3.372646 3.255000 4.472787 4.712780 6.206007 3.186333 3.586800 5.973147 5.676802 2.272021 6.220533 4.041790 3.506300 6.843557 7.300012 3.662079 3.565824 3.808283 0.990917 1.561425 0.000000 4.357500 4.812457 5.607687 3.487087 4.145876 3.230749 4.168181 4.024559 3.598071 2.484611 1.439274 4.588064 2.947097 2.722190 3.078551 3.983016 3.848975 4.363209 3.650678 4.099134 5.760041 6.636182 5.749831 0.000000 4.255643 4.979147 5.359112 3.282108 4.024729 2.291727 4.677194 3.309395 3.079595 3.052766 2.038813 3.869715 3.593298 1.742473 2.152925 4.652077 4.605725 3.674415 2.853026 3.587928 5.090159 5.928132 5.044497 0.983174 0.000000 3.952744 4.366238 5.269352 3.382798 3.501452 3.627701 3.829600 4.669781 4.286206 2.909706 1.968104 5.091070 3.038524 3.060689 3.584591 3.729627 3.412645 4.047388 3.515410 3.636533 6.045420 6.960092 5.892854 0.989283 1.557364 0.000000 5.649870 6.721813 6.197306 5.767863 4.379307 4.341993 7.442331 6.730234 7.035830 7.467191 6.529334 6.767934 7.514792 4.289033 5.178051 7.809705 7.406956 2.749778 3.119164 3.062969 7.112023 7.769176 6.384923 5.354996 4.874460 4.810208 0.000000 5.829067 6.867302 6.244946 6.154038 4.502485 5.219878 7.749446 7.424154 7.724180 8.089953 7.200998 7.365135 8.041917 5.094403 5.934450 8.189977 7.770670 3.143722 3.733637 3.344258 7.516386 8.154085 6.712359 6.105550 5.666453 5.480505 0.962290 0.000000 4.853336 6.019405 5.342741 4.914918 3.687294 3.774371 6.839761 5.890315 6.209457 6.851274 5.948911 5.860323 6.919680 3.584401 4.401286 7.264979 6.968850 1.769770 2.213530 2.169401 6.139609 6.803430 5.406464 4.879757 4.312343 4.393917 0.981327 1.537068 0.000000 5.681304 6.275984 6.696603 5.833295 4.370558 5.061576 6.386971 7.353749 7.327736 6.505534 5.609824 7.599152 6.393832 4.886971 5.822180 6.502075 5.832099 4.250603 4.313275 4.015089 8.209814 9.042029 7.660333 4.435070 4.467979 3.644131 2.700273 3.091203 3.100953 0.000000 5.525701 6.316747 6.394267 5.669130 4.182798 4.635970 6.672620 7.018366 7.110437 6.754608 5.824778 7.195669 6.706151 4.498008 5.447537 6.892859 6.325783 3.546243 3.702839 3.465717 7.723923 8.505805 7.108412 4.617403 4.439433 3.903351 1.713647 2.170006 2.185616 0.986666 0.000000 6.282951 6.884239 7.354431 6.249079 5.060951 4.864031 6.809298 7.361410 7.344967 6.543547 5.598687 7.720673 6.548957 4.840297 5.799528 6.812174 6.138415 4.688856 4.575118 4.576697 8.510089 9.327894 8.029762 4.312734 4.361471 3.657042 3.088916 3.651127 3.531896 0.962223 1.542049 0.000000 4.648639 4.674824 5.270813 3.494562 5.692014 5.821723 4.105972 3.542416 2.629958 2.554590 3.171982 3.679692 3.034240 5.094865 4.447286 4.106281 4.913586 6.485229 5.897822 6.146724 4.374395 5.040441 4.998790 4.392823 4.447544 4.936756 8.704963 9.286531 7.895839 8.411811 8.426931 8.530541 0.000000 4.171506 4.306817 4.570305 3.076110 5.342925 5.849261 4.149426 3.383176 2.607241 3.181652 3.666199 3.252204 3.498853 5.060681 4.367979 4.373530 5.202818 6.121212 5.629670 5.783918 3.604473 4.259712 4.237544 4.758913 4.676464 5.199806 8.523780 9.040278 7.657735 8.472851 8.398169 8.679272 0.989598 0.000000 5.352057 5.532621 5.926559 4.089820 6.318014 5.667225 4.998342 3.181149 2.312877 3.052987 3.525545 3.452299 3.740414 5.054559 4.303832 4.947518 5.696087 6.743748 6.064445 6.535231 4.379245 4.935569 5.110727 4.609884 4.557795 5.295313 8.957822 9.599551 8.149206 8.784478 8.758536 8.822019 0.963594 1.555842 0.000000 4.824617 4.238337 6.163097 5.011723 4.472880 6.991821 3.046277 7.558090 6.945770 4.098202 3.961727 7.806315 3.368669 6.351564 6.776400 2.677626 1.687415 6.484955 6.338759 5.700094 8.368309 9.330156 8.188567 4.078463 4.881553 3.385135 6.862772 7.186224 6.640080 4.824022 5.508080 5.109596 6.358023 6.659571 7.052726 0.000000 5.549654 5.028296 6.925938 5.545296 5.208608 7.051706 3.650393 7.712735 7.075654 4.074285 3.926797 8.072460 3.490264 6.497857 6.929016 3.072360 2.144631 6.963991 6.707451 6.259161 8.804556 9.760271 8.688286 4.006859 4.904103 3.444095 7.221515 7.631330 7.048403 5.030264 5.785461 5.139672 6.501745 6.930684 7.117163 0.962637 0.000000 4.313837 4.003854 5.673753 4.482743 3.759655 6.164328 3.144171 6.969260 6.448231 3.979255 3.613728 7.211249 3.384622 5.540895 6.045256 2.964716 2.079909 5.578647 5.444384 4.825456 7.788088 8.748778 7.541772 3.455782 4.166601 2.630939 5.885171 6.232687 5.665526 3.915201 4.553899 4.236567 6.219634 6.456352 6.864667 0.984073 1.539780 0.000000 3.683007 5.025257 3.033673 3.612546 3.866123 4.939948 6.476055 4.426287 4.842720 6.727020 6.287583 3.670660 6.815571 4.304788 4.143736 7.208450 7.490504 2.789960 3.145044 2.970300 2.677866 3.099173 1.687359 6.096088 5.390932 5.989007 5.349051 5.486252 4.399713 6.938932 6.276025 7.437864 6.255699 5.532467 6.497255 8.113386 8.710848 7.375551 0.000000 3.488891 4.900607 3.188341 3.382821 3.358077 4.194600 6.227959 4.242615 4.663095 6.366007 5.801729 3.662351 6.474034 3.581085 3.609742 6.901899 7.074936 1.818033 2.231264 2.123370 3.115659 3.672276 2.190212 5.425872 4.697868 5.267916 4.402936 4.604812 3.442469 6.013236 5.328877 6.489200 6.245865 5.641497 6.485805 7.540077 8.101054 6.739186 0.979682 0.000000 3.044813 4.304175 2.171019 3.261121 3.373750 5.475577 5.905514 4.837068 5.083359 6.540652 6.193914 4.072923 6.490713 4.732105 4.596708 6.709775 7.010911 3.072517 3.521980 2.941040 2.970326 3.494219 2.067388 6.133137 5.550905 5.933044 5.595617 5.649980 4.661740 6.933804 6.350991 7.517302 6.103875 5.341125 6.478943 7.685679 8.354535 7.008289 0.964190 1.525266 0.000000 3.684402 3.973775 4.986530 3.742849 2.780197 4.707900 3.753373 5.939276 5.619476 4.089188 3.371722 6.157278 3.802475 4.116404 4.765182 3.847391 3.259937 3.971062 3.838826 3.321553 6.754398 7.689693 6.394510 2.685056 3.059776 1.697179 4.246966 4.682727 3.976106 2.669990 3.075769 3.063181 6.074805 6.180858 6.597911 2.698736 3.090522 1.722737 6.080852 5.328858 5.860728 0.000000 4.349226 4.785697 5.541368 4.458178 3.214301 4.687578 4.724845 6.388955 6.190606 4.962090 4.151830 6.621533 4.757013 4.245795 5.039040 4.828285 4.194648 3.885412 3.828759 3.370621 7.230476 8.132726 6.786231 3.201295 3.427217 2.263787 3.532186 3.968463 3.457775 1.679399 2.163520 2.142765 6.924128 7.011135 7.384062 3.386423 3.694080 2.415505 6.297339 5.458353 6.159996 0.990941 0.000000 2.801851 3.238209 4.050678 3.059955 1.803414 4.691143 3.452964 5.645690 5.366634 4.176912 3.535947 5.713348 3.832007 3.978008 4.547720 3.789452 3.370047 3.370230 3.389761 2.579145 6.095709 7.028879 5.666935 3.031529 3.204805 2.136411 4.082504 4.416397 3.648033 3.081587 3.235583 3.646056 5.829236 5.783511 6.403113 3.151219 3.733631 2.254898 5.260648 4.560325 4.966125 0.978311 1.573824 0.000000 3.962757 4.263804 3.804741 3.186300 5.281343 6.403180 4.795891 3.857695 3.430861 4.630454 4.968241 3.279268 4.753012 5.574668 4.865637 5.306284 6.122829 5.995884 5.713416 5.680295 2.756017 3.276913 3.357957 5.853322 5.601822 6.134139 8.627937 9.012902 7.691059 8.978189 8.762704 9.318632 2.692891 1.705766 3.089798 7.546131 7.987335 7.270561 4.665139 5.049379 4.384729 6.832707 7.601716 6.220320 0.000000 3.332172 3.490255 3.094341 2.854643 4.734116 6.659198 4.230225 4.438336 3.993784 4.648841 4.995941 3.845104 4.564218 5.766565 5.188041 4.862547 5.664567 5.829290 5.675122 5.382719 3.164392 3.774686 3.517392 5.874875 5.695937 6.004666 8.410863 8.716699 7.489356 8.677846 8.489187 9.101119 3.108054 2.178670 3.713091 7.081746 7.613195 6.834053 4.530621 4.911934 4.063466 6.478866 7.267961 5.799068 0.962905 0.000000 2.030892 2.656414 2.589457 3.157536 0.962988 5.894309 4.019281 6.328327 6.174979 5.626248 5.214767 6.026477 5.145458 5.092889 5.477135 4.773848 4.615159 3.312028 3.855020 2.366085 5.741217 6.585910 5.092912 5.002312 4.923110 4.271443 4.518361 4.440010 3.935343 4.516740 4.332334 5.324202 6.535148 6.148638 7.203520 4.725541 5.546126 4.062210 4.252944 3.804335 3.659177 3.239722 3.539748 2.300595 5.954664 5.312865 0.000000 3.839099 4.457820 3.576199 2.998281 5.024671 5.782715 5.191549 3.271691 3.068164 4.892761 5.030674 2.531939 5.103535 4.987200 4.254238 5.740615 6.462777 5.325758 5.048550 5.131840 1.778256 2.343783 2.416111 5.700536 5.294415 5.983984 8.021200 8.410765 7.062471 8.625866 8.315569 8.960725 3.157321 2.213854 3.394198 7.751195 8.200707 7.355837 3.836378 4.252825 3.690810 6.690945 7.368938 6.043645 0.979553 1.536043 5.721331 0.000000 4.189439 4.153559 5.175134 3.082843 4.950893 5.197832 3.204418 3.751072 2.821678 1.018111 1.715602 4.085281 1.671514 4.465687 4.082121 3.008996 3.650837 5.919207 5.306559 5.498110 4.987519 5.803529 5.386373 3.075992 3.376856 3.579845 7.803370 8.414662 7.093013 7.154519 7.289501 7.232121 1.543252 2.198156 2.099546 4.958117 5.027388 4.810688 6.340592 6.107105 6.169696 4.763279 5.630006 4.680195 3.739193 3.878588 5.811597 4.049154 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3589,.1111,-1.8421;.4025,1.4118,-2.4097;1.1368,-.7206,-2.6746;.9161,.1529,-.5635;-1.0015,-.3729,-1.7144;-.6228,-1.9916,3.0795;.1518,2.9867,-1.3399;2.2923,-1.148,2.5057;2.3156,-.202,2.3298;.6905,2.7373,1.5195;.0149,1.9796,1.7906;2.6853,-1.5537,1.7007;.3918,3.1234,.6034;-.3059,-1.5382,2.2914;.6804,-1.4618,2.3938;-.0592,3.673,-.6899;-1.0509,3.6909,-.659;-1.0574,-2.6576,-.0834;-.7814,-2.2889,.7854;-1.1188,-1.8774,-.6694;3.3039,-2.1544,.2122;4.0226,-2.7865,.3148;2.598,-2.6217,-.3028;-1.0427,1.0795,2.1686;-.7434,.1482,2.2681;-1.6789,1.0518,1.4116;-3.7382,-3.1466,.2844;-4.0549,-3.475,-.5629;-2.7752,-3.0124,.1519;-4.7634,-.6572,.4922;-4.3951,-1.5695,.418;-4.9653,-.5524,1.4272;3.1494,2.0761,1.3141;3.4491,1.4223,.6344;3.5156,1.767,2.1501;-2.7327,3.5885,-.5668;-2.96,4.0328,.2564;-2.8147,2.6297,-.361;1.3914,-3.3684,-1.2159;.5374,-3.2026,-.7652;1.372,-2.7578,-1.9619;-2.6867,.9614,.049;-3.4699,.3745,.204;-2.1242,.4968,-.6029;4.0947,.3743,-.5466;3.6243,.571,-1.3634;-1.4404,-.4952,-2.5627;3.8233,-.5395,-.321;1.6425,2.3871,1.4326; 0.2291716 0.1931771 0.1538385 -24.63831 -24.63554 -24.63290 -19.15572 -19.13174 -19.12992 -19.12835 -19.12825 -19.12520 -19.12509 -19.12464 -19.12442 -19.12397 -19.12259 -19.12028 -19.11905 -19.11668 -19.11566 -6.84330 -1.19449 -1.14921 -1.14792 -1.06281 -1.03305 -1.02858 -1.02525 -1.02412 -1.02172 -1.01808 -1.01620 -1.01066 -1.00699 -1.00606 -1.00265 -1.00118 -0.99497 -0.99129 -0.57180 -0.56963 -0.56029 -0.54238 -0.54182 -0.54074 -0.53984 -0.53877 -0.53652 -0.53390 -0.53338 -0.53162 -0.53103 -0.52952 -0.52878 -0.52749 -0.51918 -0.49697 -0.49132 -0.44582 -0.44181 -0.44012 -0.43463 -0.42431 -0.42105 -0.41773 -0.41353 -0.40904 -0.40724 -0.40180 -0.39793 -0.39154 -0.38913 -0.38424 -0.38410 -0.37897 -0.37529 -0.37235 -0.36321 -0.34963 -0.33657 -0.33207 -0.33007 -0.32951 -0.32722 -0.32699 -0.32566 -0.32510 -0.32355 -0.32319 -0.32126 -0.32025 -0.31888 -0.31393 -0.00760 0.01344 0.02045 0.02212 0.04470 0.04905 0.05417 0.06338 0.06507 0.08198 0.08368 0.09182 0.10052 0.10794 0.11144 0.11377 0.11960 0.12244 0.12586 0.13108 0.13215 0.13662 0.14077 0.14601 0.14919 0.15110 0.15461 0.15843 0.16556 0.16720 0.16739 0.17534 0.17804 0.18004 0.18583 0.18926 0.19031 0.19504 0.19648 0.20110 0.20307 0.20597 0.21140 0.21630 0.22122 0.22419 0.22628 0.23210 0.23491 0.23759 0.24106 0.24248 0.24744 0.25038 0.25307 0.25927 0.26443 0.26714 0.27035 0.27256 0.27584 0.28165 0.28444 0.28541 0.28849 0.29035 0.29566 0.29735 0.29819 0.30142 0.30513 0.30764 0.31212 0.31467 0.31890 0.32042 0.32696 0.33023 0.33223 0.33630 0.33837 0.34639 0.35037 0.35295 0.35838 0.36971 0.37716 0.38127 0.38760 0.39802 0.40810 0.41216 0.42100 0.42314 0.43090 0.43830 0.45365 0.47136 0.47805 0.48157 0.48919 0.49533 0.50213 0.50491 0.50984 0.51754 0.52810 0.53288 0.54019 0.54169 0.54506 0.55463 0.56214 0.56718 0.57012 0.57392 0.57914 0.58685 0.59319 0.59511 0.59753 0.60875 0.61218 0.62099 0.62324 0.63170 0.63604 0.64335 0.64917 0.65290 0.65760 0.66401 0.66807 0.67308 0.68334 0.69520 0.69913 0.70544 0.70869 0.71862 0.72786 0.74210 0.76026 0.80792 0.94706 0.95342 0.96118 0.97074 0.97249 0.97995 0.98361 0.99276 0.99598 1.00085 1.01089 1.01156 1.01407 1.02396 1.02528 1.02716 1.03077 1.03620 1.04044 1.04944 1.05088 1.06150 1.06603 1.07742 1.08224 1.08579 1.09077 1.09419 1.10537 1.11098 1.11370 1.11714 1.12038 1.12726 1.12955 1.14071 1.14711 1.15364 1.16285 1.16547 1.16752 1.18506 1.18796 1.19518 1.19943 1.22181 1.22494 1.23203 1.24570 1.25626 1.26391 1.27195 1.27350 1.28814 1.29559 1.30314 1.31066 1.31824 1.32279 1.32704 1.33407 1.33882 1.34271 1.34790 1.35479 1.36034 1.36831 1.37353 1.38209 1.38407 1.39036 1.40228 1.40587 1.41634 1.41829 1.42297 1.42787 1.44333 1.45047 1.45569 1.46136 1.46536 1.47463 1.47616 1.48670 1.48976 1.49731 1.50321 1.51672 1.52999 1.53359 1.54737 1.55453 1.56732 1.57209 1.58352 1.58635 1.59304 1.60235 1.61007 1.61800 1.62057 1.62497 1.62937 1.63740 1.64819 1.65047 1.65753 1.65999 1.67347 1.67998 1.69066 1.69959 1.70991 1.71347 1.72530 1.72721 1.74655 1.75153 1.76259 1.77150 1.77579 1.78028 1.79415 1.80723 1.81630 1.82405 1.83085 1.84721 1.86267 1.87597 1.88934 1.94976 2.00128 2.02222 2.02777 2.03485 2.03935 2.04471 2.05520 2.06462 2.08243 2.09317 2.13297 2.14829 2.17012 2.19391 2.23248 2.24141 2.26772 2.27500 2.28932 2.29676 2.32607 2.33131 2.34022 2.35411 2.35755 2.37451 2.38177 2.39030 2.40861 2.42524 2.44577 2.45389 2.47761 2.48675 2.49921 2.52787 2.56275 2.59450 2.61967 2.63844 2.64321 2.65175 2.65633 2.68043 2.70650 2.71092 2.72089 2.72694 2.73893 2.74519 2.75455 2.76053 2.76876 2.77104 2.77926 2.79754 2.81244 2.81741 2.83358 2.83751 2.86051 2.87561 2.88019 2.89948 2.90520 2.91646 2.94361 3.07359 3.07753 3.08128 3.08930 3.09189 3.10284 3.10792 3.10939 3.11375 3.11544 3.12042 3.12447 3.12917 3.13316 3.13945 3.14914 3.15136 3.15459 3.15779 3.16174 3.17804 3.18195 3.18802 3.19293 3.19508 3.21021 3.21845 3.24168 3.25512 3.29527 3.29774 3.30211 3.30481 3.31048 3.31695 3.32681 3.33209 3.33539 3.34046 3.34759 3.34943 3.36128 3.36776 3.38648 3.54325 3.58174 3.67390 3.67663 3.68578 3.69547 3.70945 3.72218 3.73715 3.74226 3.75133 3.76550 3.78206 3.78899 3.79280 3.79781 3.81725 3.82430 3.83121 3.85682 3.86149 3.88623 3.89019 3.90598 3.91260 3.91705 3.91985 3.92659 3.93392 3.93791 3.94576 3.95269 3.95566 3.95658 3.96343 3.97340 3.97662 3.99085 4.00263 4.01396 4.11833 4.24773 4.27705 4.39615 4.66232 4.70302 4.99061 4.99698 5.00282 5.01479 5.02301 5.02621 5.03712 5.03965 5.04116 5.04812 5.09193 5.12008 5.16680 5.17201 5.25324 5.35599 5.37087 5.39365 5.40882 5.41382 5.42336 5.42691 5.44831 5.46193 5.47460 5.48651 5.49803 5.50831 5.55462 5.60019 5.66090 5.66333 5.67593 5.68434 5.68738 5.69663 5.69761 5.70049 5.71569 5.73044 5.73318 5.76433 5.80418 5.81420 5.85984 6.37423 6.39737 6.40450 6.43688 6.49203 6.54229 6.58084 6.66382 6.66693 14.60593 49.88601 49.89180 49.90026 49.90893 49.91732 49.92451 49.93612 49.93975 49.95216 49.95626 49.96244 49.96641 49.97658 49.99345 49.99952 66.84486 66.87197 66.88684 1-A. -1.0631 -4.4797 6.0295 7.5864 -121.2412 -143.0945 -120.6067 -4.4252 5.6805 8.8189 7.0729 -14.7804 7.7074 -4.4252 5.6805 8.8189 38.3450 -27.2456 23.0414 -7.7601 -55.8422 44.9472 -25.6775 -30.6096 35.3810 -34.9259 -4610.4692 -3854.0611 -1734.6542 -205.0414 -40.7267 -155.3307 102.0010 15.6874 -16.5134 -1181.2179 -873.8775 -882.4268 180.7659 13.7548 133.4714 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9914,1.4551,-.5297;-2.271,1.3427,-1.1638;-1.0614,2.6291,.307;-.7859,.341,.2971;.0864,1.5231,-1.4801;2.9398,-1.826,1.4587;-2.9858,-.3308,-1.3415;.722,-1.0273,3.526;-.2052,-1.1934,3.2655;-1.936,-2.4816,.401;-.9499,-2.5355,.0631;.749,-.0651,3.7116;-2.4818,-1.9844,-.3169;2.1169,-1.3674,1.2478;1.6371,-1.2474,2.109;-3.2378,-1.2669,-1.4321;-2.792,-1.5639,-2.2628;2.485,.9959,-.1372;2.3383,.1565,.3536;1.673,1.1354,-.6684;.6377,1.7228,3.8842;.9035,2.2036,4.6773;1.0309,2.2042,3.1154;.4227,-2.6394,-.4867;1.0474,-2.2277,.1544;.4595,-2.0554,-1.2828;4.4099,.3559,-1.9825;4.7689,1.179,-2.336;3.7394,.6295,-1.3128;2.9496,-1.0123,-3.858;3.5127,-.5327,-3.206;3.2854,-1.9171,-3.8639;-1.9705,-1.1833,2.6619;-2.049,-.1961,2.6807;-2.6286,-1.5185,3.2842;-1.8418,-2.0205,-3.6592;-1.7366,-2.9797,-3.6846;-.967,-1.6731,-3.3689;1.4881,2.9513,1.6098;1.9521,2.2784,1.0666;.6184,3.0196,1.1839;.479,-.9801,-2.6579;1.3563,-.9911,-3.1066;.3591,-.0732,-2.3059;-1.9737,1.5437,2.9011;-1.8267,1.9267,2.0227;.0283,2.2881,-2.0646;-1.1036,1.6394,3.3432;-1.9631,-1.9426,1.2546; 0.000000 1.432451 0.000000 1.443405 2.298095 0.000000 1.402461 2.311522 2.304639 0.000000 1.438598 2.385309 2.394671 2.305740 0.000000 5.493033 6.638529 6.097854 4.463829 5.290974 0.000000 2.797459 1.828465 3.896412 2.824159 3.590899 6.722249 0.000000 5.054376 6.047259 5.187645 3.817322 5.654143 3.135355 6.158343 0.000000 4.694252 5.506198 4.908884 3.391625 5.475832 3.681799 5.449775 0.977296 0.000000 4.154003 4.145635 5.185875 3.049737 4.864784 5.032080 2.960409 4.352705 3.586217 0.000000 4.034578 4.276821 5.171602 2.890715 4.464025 4.192941 3.313338 4.130646 3.551306 1.043796 0.000000 4.830013 5.905280 4.704034 3.765625 5.469486 3.602209 6.289126 0.980249 1.543502 4.899912 4.722419 0.000000 3.754507 3.439672 4.867368 2.942926 4.500134 5.707160 2.009464 5.093987 4.317707 1.029813 1.671816 5.509171 0.000000 4.559356 5.693347 5.192207 3.499821 4.463126 0.965347 5.815178 2.692862 3.081111 4.287715 3.489027 3.104395 4.896661 0.000000 4.601657 5.717784 5.055350 3.417155 4.791835 1.566708 5.840964 1.701159 2.175902 4.148211 3.540848 2.180607 4.836705 0.993033 0.000000 3.642800 2.795926 4.789662 3.404102 4.340171 6.843396 0.973693 6.349889 5.591993 2.555474 3.013217 6.617980 1.526430 5.988762 6.025351 0.000000 3.919168 3.150830 5.213485 3.769131 4.292740 6.838963 1.551402 6.793120 6.114819 2.944562 3.122002 7.104839 2.014796 6.038245 6.231336 0.988350 0.000000 3.528489 4.877810 3.929562 3.363920 2.798972 3.273693 5.756702 4.541025 4.858871 5.650487 4.930475 4.353526 5.795147 2.763946 3.285870 6.288699 6.238382 0.000000 3.681482 4.995448 4.204025 3.130079 3.209476 2.348031 5.608559 3.752061 4.095177 5.023041 4.259470 3.721740 5.316576 1.780723 2.354552 6.025563 6.010380 0.983424 0.000000 2.687152 3.980398 3.264902 2.758516 1.823888 3.859927 4.930279 4.814003 4.942302 5.220321 4.570638 4.634594 5.207669 3.183267 3.659628 5.520089 5.455779 0.980197 1.563726 0.000000 4.712573 5.838441 4.062600 4.099164 5.396228 4.876101 6.682406 2.774530 3.097894 6.036023 5.937559 1.799638 6.412775 4.322910 3.601694 7.226457 7.768562 4.484716 4.220249 4.705597 0.000000 5.591471 6.703562 4.810580 5.050739 6.248569 5.544739 7.601069 3.434704 3.842135 6.949943 6.869236 2.470578 7.344558 5.097664 4.363997 8.156073 8.718751 5.209588 4.994439 5.505426 0.964867 0.000000 4.235267 5.473181 3.527737 3.835976 4.740684 4.757241 6.513317 3.272085 3.618544 6.174725 5.975384 2.363240 6.454757 4.174184 3.646127 7.137967 7.598533 3.762176 3.678342 3.983883 0.988669 1.567151 0.000000 4.331959 4.855009 5.530774 3.310246 4.292538 3.283599 4.204461 4.334824 4.069952 2.525127 1.482224 4.935530 2.982285 2.738058 3.185918 4.022001 3.826900 4.194117 3.491737 3.980655 6.178953 7.096026 6.066750 0.000000 4.264674 5.049456 5.297058 3.159032 4.202793 2.333145 4.701301 3.593675 3.509637 3.004305 2.022925 4.173645 3.568857 1.754831 2.264712 4.669387 4.585249 3.541674 2.718488 3.518394 5.448395 6.333563 5.330036 0.985313 0.000000 3.872471 4.360876 5.175497 3.128905 3.603344 3.704017 3.853305 4.924476 4.676735 2.958917 2.007033 5.384152 3.096709 3.102282 3.680142 3.783440 3.431421 3.837382 3.331619 3.468697 6.403442 7.338918 6.149372 0.987920 1.562296 0.000000 5.700311 6.802819 6.351775 5.673895 4.506409 4.331694 7.455133 6.771835 7.158280 7.348680 6.424339 6.782526 7.466419 4.320063 5.196073 7.837372 7.458705 2.742284 3.128711 3.134531 7.107480 7.750017 6.389285 5.206436 4.748472 4.680777 0.000000 6.043166 7.138614 6.563558 6.204058 4.772462 5.174462 7.962608 7.457072 7.857862 8.114572 7.228919 7.367546 8.164333 5.134313 5.954246 8.420598 8.043382 3.175556 3.766587 3.516676 7.486849 8.073268 6.688886 6.073637 5.626471 5.490103 0.965060 0.000000 4.865762 6.054366 5.447017 4.811783 3.764420 3.788187 6.793480 5.938376 6.312210 6.695281 5.822398 5.888143 6.821176 3.630092 4.432988 7.231365 6.955097 1.757798 2.227990 2.222874 6.150188 6.811919 5.424473 4.729590 4.190907 4.238831 0.986387 1.551942 0.000000 5.718163 6.329229 6.833426 5.748940 4.503421 5.378622 6.482775 7.712765 7.792969 6.645847 5.735965 7.939740 6.556311 5.185512 6.114167 6.650864 5.984612 4.253598 4.413309 4.051717 8.530389 9.347796 7.915553 4.516465 4.603864 3.731042 2.742621 3.229244 3.130089 0.000000 5.603673 6.413938 6.577309 5.613643 4.352556 4.874448 6.763713 7.304319 7.492658 6.818892 5.883290 7.463944 6.810957 4.741521 5.681356 7.018224 6.457787 3.579146 3.811158 3.550604 7.976458 8.743153 7.321906 4.623960 4.499285 3.916587 1.758260 2.294492 2.233007 0.986021 0.000000 6.385896 6.984994 7.547142 6.244048 5.267942 5.334511 6.943119 7.872307 7.970947 6.765414 5.808702 8.200677 6.771029 5.272293 6.232174 6.992044 6.294743 4.797305 4.794106 4.704156 8.960545 9.777834 8.412973 4.485753 4.609983 3.829735 3.157587 3.757766 3.633079 0.965153 1.549530 0.000000 4.255081 4.594257 4.572339 3.052729 5.358280 5.096210 4.217173 2.832036 1.865664 2.607418 3.102279 3.122143 3.126742 4.328960 3.650272 4.286543 5.007216 5.695184 5.068371 5.453647 4.091658 4.877805 4.548489 4.214404 4.060243 4.714440 8.040456 8.716529 7.189407 8.169819 8.057361 8.411209 0.000000 3.761837 4.146970 3.819905 2.750560 4.982730 5.388706 4.131959 3.013997 2.176328 3.230031 3.678684 2.984840 3.517163 4.558498 3.875547 4.413045 5.182687 5.469825 4.978767 5.181021 3.514169 4.296899 3.928936 4.702251 4.482957 5.045662 7.985501 8.575647 7.080680 8.270863 8.105522 8.616790 0.990448 0.000000 5.105726 5.300916 5.340673 3.971954 6.270644 5.868008 4.789063 3.395016 2.445183 3.117707 3.771994 3.701782 3.634066 5.166126 4.432911 4.762190 5.549559 6.646590 6.005293 6.416401 4.640543 5.317059 5.222920 4.978575 4.879639 5.539110 8.988437 9.673948 8.142368 9.076553 8.989450 9.285949 0.965791 1.564891 0.000000 4.753596 4.209823 6.161110 4.726965 4.585185 7.006704 3.087995 7.693311 7.163405 4.087349 3.862099 8.053881 3.403219 6.338514 6.780286 2.734317 1.749703 6.342258 6.189866 5.591017 8.778561 9.740551 8.485023 3.946550 4.788949 3.308288 6.895122 7.462491 6.608958 4.900380 5.575838 5.132361 6.377604 6.600388 7.005835 0.000000 5.493250 5.032207 6.917213 5.271157 5.334654 7.046508 3.750626 7.864488 7.337619 4.120665 3.855031 8.329318 3.589915 6.463603 6.924491 3.203219 2.267140 6.797895 6.538124 6.136613 9.221579 10.186246 8.987314 3.873610 4.801516 3.383235 7.197453 7.838045 6.974170 5.085434 5.811421 5.136380 6.600004 6.954311 7.175991 0.965225 0.000000 4.224560 3.957000 5.659527 4.186753 3.859116 6.212196 3.160348 7.128084 6.695212 3.975513 3.538695 7.460825 3.421472 5.560376 6.080245 3.012100 2.136900 5.429827 5.303617 4.706412 8.167873 9.125218 7.814764 3.342396 4.096217 2.555977 5.911816 6.488516 5.628445 4.001922 4.625420 4.288047 6.133310 6.320554 6.859193 0.985067 1.548968 0.000000 3.600607 4.940767 2.881161 3.702388 3.681293 4.995258 6.284748 4.481926 4.773535 6.534693 6.200112 3.750018 6.620688 4.379227 4.230895 7.027195 7.328270 2.805236 3.179923 2.919166 2.721272 3.210995 1.741812 6.065152 5.397604 5.873014 5.308290 5.428965 4.358972 6.909645 6.279272 7.542719 5.492115 4.854331 6.303179 7.973071 8.579419 7.224936 0.000000 3.448293 4.866710 3.127498 3.441270 3.246099 4.239772 6.081947 4.299943 4.641378 6.182128 5.709915 3.733065 6.304425 3.654092 3.690180 6.763811 6.953816 1.837968 2.271651 2.096317 3.158342 3.760633 2.247568 5.379319 4.685715 5.150737 4.362849 4.552004 3.402231 6.006356 5.347291 6.609853 5.469468 4.973727 6.349599 7.430249 7.989322 6.618876 0.981347 0.000000 2.824137 4.083142 1.934698 3.151687 3.101506 5.379995 5.531083 4.676907 4.770789 6.115655 5.880073 3.990245 6.074835 4.636346 4.483427 6.331553 6.672265 3.053673 3.441664 2.844869 2.995632 3.598784 2.136720 5.903674 5.364513 5.644985 5.612270 5.744916 4.656926 6.863818 6.345663 7.547468 5.152755 4.438069 5.962279 7.410213 8.077138 6.727753 0.970832 1.530336 0.000000 3.552673 3.897455 4.918347 3.475257 2.794165 4.870038 3.762913 6.188902 5.966639 4.176586 3.444556 6.440594 3.905864 4.252959 4.912834 3.924253 3.346168 3.779188 3.717193 3.139981 7.080251 8.007647 6.616291 2.733221 3.128728 1.745815 4.206292 4.813305 3.876889 2.746827 3.115098 3.195028 5.860197 5.958711 6.727256 2.733378 3.156217 1.754025 5.889606 5.163365 5.547666 0.000000 4.258564 4.730482 5.532028 4.236510 3.252535 4.903674 4.733369 6.662940 6.563714 5.036221 4.213092 6.907517 4.847666 4.436332 5.229374 4.897476 4.271818 3.746864 3.775395 3.250727 7.533386 8.426164 7.002017 3.232952 3.501248 2.294179 3.521735 4.116893 3.394595 1.761798 2.206883 2.269974 6.661772 6.761651 7.549760 3.404821 3.722198 2.435422 6.148469 5.334823 5.919298 0.985354 0.000000 2.704533 3.197899 4.018437 2.873700 1.817844 4.889170 3.490693 5.920572 5.710847 4.288959 3.659020 6.030146 3.959769 4.170581 4.743736 3.889276 3.486240 3.219523 3.323011 2.422548 6.451390 7.365190 5.918455 3.146193 3.341957 2.232962 4.086274 4.584174 3.592540 3.162526 3.311563 3.793474 5.598063 5.538967 6.501116 3.235370 3.839363 2.334109 5.074934 4.409294 4.670276 0.980155 1.574095 0.000000 3.569763 4.080747 2.956292 3.104572 4.841408 6.130087 4.747397 3.777213 3.279043 4.738721 5.073762 3.264742 4.802225 5.285923 4.632060 5.317434 6.082170 5.423232 5.196865 5.119228 2.796064 3.445118 3.083744 5.892233 5.558306 6.031540 8.124741 8.545313 7.157700 8.744040 8.468134 9.241246 2.737489 1.755398 3.154869 7.467202 7.993082 7.118600 3.953834 4.395121 3.441780 6.579392 7.321607 5.930391 0.000000 2.726713 3.269944 2.005682 2.564242 4.011531 6.092592 4.213979 4.181065 3.729380 4.698391 4.951782 3.667937 4.604273 5.196450 4.698941 4.911893 5.610841 4.911421 4.823516 4.485083 3.095132 3.818065 3.071867 5.674996 5.386031 5.657754 7.576577 7.940941 6.617385 8.126112 7.867483 8.692530 3.178201 2.233513 3.755506 6.918451 7.526898 6.539645 3.494020 3.913705 2.806497 5.972768 6.704760 5.245403 0.969433 0.000000 2.022306 2.644196 2.632170 3.167255 0.964506 6.149459 4.057887 6.536654 6.370644 5.717315 5.362005 6.278680 5.254462 5.356980 5.701470 4.868879 4.778247 3.379285 3.965751 2.446060 6.006592 6.799032 5.276760 5.188940 5.133705 4.434364 4.789448 4.876119 4.133786 4.758462 4.626095 5.615157 6.195594 5.744934 7.082316 4.960294 5.786979 4.287512 4.009001 3.675008 3.381718 3.352040 3.688096 2.396553 5.405586 4.503093 0.000000 3.878946 4.665236 3.193744 3.326507 4.969296 5.648809 5.419490 3.236831 2.972794 5.131503 5.311586 2.544230 5.331770 4.878814 4.167533 5.983815 6.673771 5.040379 4.794090 4.904733 1.825284 2.475205 2.219628 5.941860 5.454283 6.123301 7.772361 8.182363 6.793615 8.678586 8.301848 9.157185 3.030362 2.168418 3.507359 7.935618 8.433695 7.486239 3.382709 3.863747 3.087536 6.736476 7.387141 6.081542 0.980684 1.532693 5.562971 0.000000 3.958749 4.091058 4.755125 2.741794 4.867196 4.908465 3.222317 3.634091 2.774020 1.009948 1.672694 4.113032 1.655455 4.120284 3.764888 3.049617 3.633527 5.509717 4.870221 5.137426 5.207045 6.092889 5.442590 3.034718 3.217828 3.509978 7.508438 8.243502 6.762076 7.151143 7.202020 7.331164 1.599072 2.256326 2.177593 4.915921 5.052016 4.737265 5.998876 5.760281 5.593923 4.711490 5.562646 4.643733 3.855561 3.947090 5.734214 4.234541 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2568,.4653,-1.7875;-.0135,1.767,-2.3208;1.4064,-.0305,-2.5058;.6049,.5834,-.4341;-.8761,-.4152,-1.8922;-.0154,-2.1693,3.0248;-.5096,3.0784,-1.1472;2.7124,-.7279,2.4661;2.6712,.2197,2.2307;.1209,2.6885,1.7189;-.4679,1.8531,1.9309;3.1764,-1.142,1.7084;-.2307,3.0998,.8427;.157,-1.5601,2.2961;1.1075,-1.2858,2.3821;-.8187,3.6755,-.4429;-1.7879,3.4949,-.3731;-.4609,-2.5979,-.19;-.2382,-2.2145,.6878;-.6834,-1.8337,-.762;3.925,-1.7397,.1849;4.7273,-2.2749,.1543;3.2707,-2.1749,-.4151;-1.3688,.7122,2.2203;-.8228,-.1042,2.2988;-1.9203,.5683,1.4134;-2.8581,-3.862,.2289;-3.0176,-4.4526,-.5175;-1.9826,-3.4446,.0493;-4.6051,-1.7479,.2524;-4.0114,-2.5351,.2574;-4.9846,-1.7126,1.1391;2.5973,1.9156,1.4566;2.9455,1.6119,.5805;3.235,2.5583,1.7927;-3.4577,2.9915,-.2326;-3.8103,3.2612,.6245;-3.3184,2.0191,-.1594;2.0115,-2.6668,-1.5135;1.1812,-2.7619,-.9992;1.878,-1.8374,-2.0001;-2.8403,.3349,-.0519;-3.4873,-.4017,.047;-2.2028,.0531,-.7409;3.6726,.8548,-.8264;2.9534,.6974,-1.4572;-1.1527,-.57,-2.8031;3.8723,-.0392,-.4763;1.075,2.3911,1.5731; 0.2350852 0.1923517 0.1565073 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= 603 596 598 603 603 MxSgAt= 49 MxSgA2= 49. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 598 RedAO= T EigKep= 9.33D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 599 599 599 599 599 MxSgAt= 49 MxSgA2= 49. 1 -4.18260695e-01 -1.76243386e+00 2.37220073e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 0.005349010 -0.000960327 -0.005109103 -0.009217908 -0.002835862 -0.004310839 0.002041350 0.009328272 0.005177455 0.000977843 -0.006356956 0.006632264 0.003469855 -0.001875383 -0.001788698 0.002316157 -0.001329159 0.000400050 0.001223841 0.004321978 0.000661581 0.001900522 -0.001358529 0.002192428 -0.003877338 -0.001768193 -0.000940672 -0.000318326 -0.000342714 0.000533530 -0.002340438 -0.000240766 0.000419878 -0.000637117 0.002598159 0.000279666 0.001036738 -0.001503266 0.002186458 -0.000062541 0.000551485 -0.001115301 0.000504597 -0.000155976 -0.000054345 -0.002525310 -0.000056624 -0.001169142 -0.000305173 0.000134407 -0.000256117 0.002417201 0.000685626 0.000302965 -0.000356106 -0.001337872 0.000646669 -0.003870367 0.000596098 -0.001130418 -0.001320981 -0.001153520 0.000242256 0.000726950 0.001212071 0.002584920 0.000580154 0.000426393 -0.000159942 0.001297428 -0.002234475 -0.000410263 0.001413649 0.000889988 0.000827354 0.000074573 0.000494501 -0.001213866 0.001775632 -0.001840732 -0.000758443 0.001461789 0.002683459 -0.001846255 -0.002254036 0.000984068 0.003294863 -0.000396285 0.000408767 -0.002212554 0.001173174 0.000795480 0.000645903 0.001218192 -0.003348508 -0.000360849 -0.000450552 -0.000374846 0.000479119 -0.000123482 0.001096249 0.000344888 0.000068407 -0.001457341 0.001839734 -0.001930710 0.000772269 -0.001851839 -0.000305303 -0.003195926 -0.000857967 0.002712332 0.000740335 0.000984483 0.001675566 0.001229967 0.002238747 0.001635222 -0.002182889 -0.002027661 -0.004312942 0.001343286 -0.002891867 -0.000391885 -0.001122354 -0.001365092 -0.001207800 0.000280527 0.000420452 -0.000610619 0.003360931 0.001794788 -0.001938124 -0.000587926 0.001692549 -0.000761732 0.001441611 -0.002561501 -0.000939218 0.001457592 -0.000619018 0.002973469 0.000510111 0.000096465 0.000430647 -0.000723486 -0.001907711 0.009328272 0.002217012 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1471.94577682210 -1471.94577766088 -0.000000838779 -1471.94577765440 0.000000006482 -1471.94577767404 -0.000000019642 -1471.94577767389 0.000000000153 -1471.94577767 5 1.467083776273e+03 -7.730549058748e+03 2.669125757212e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT104317.600S Fri Jul 19 06:50:53 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 0.883849 -0.444058 -0.443369 -0.357092 -0.818688 0.335297 0.316629 -0.713979 0.315078 -0.747024 0.523509 0.427124 0.493609 -0.795465 0.450988 -0.735794 0.443333 -0.816430 0.429925 0.404556 -0.816550 0.342064 0.458340 -0.822080 0.415494 0.435632 -0.738499 0.314551 0.415569 -0.752331 0.434435 0.311726 -0.724383 0.446394 0.300612 -0.720457 0.307337 0.408875 -0.689726 0.390308 0.295668 -0.900042 0.513365 0.401870 -0.699955 0.303563 0.317897 0.406211 0.492111 -0.00000 -24.64772 -24.64482 -24.63770 -19.16860 -19.13850 -19.12959 -19.12918 -19.12784 -19.12392 -19.12284 -19.12280 -19.12257 -19.12217 -19.12216 -19.12132 -19.12043 -19.11981 -19.11611 -6.85436 -1.19825 -1.15472 -1.15332 -1.07292 -1.03009 -1.02742 -1.02205 -1.02145 -1.01933 -1.01646 -1.01361 -1.00802 -1.00780 -1.00468 -1.00296 -0.99659 -0.99572 -0.99382 -0.57734 -0.57294 -0.56543 -0.54766 -0.54455 -0.54102 -0.53918 -0.53821 -0.53417 -0.53401 -0.53181 -0.53006 -0.52974 -0.52877 -0.52805 -0.52481 -0.51750 -0.50118 -0.49361 -0.44616 -0.44360 -0.44197 -0.43210 -0.42726 -0.42181 -0.41847 -0.41656 -0.41360 -0.40540 -0.40011 -0.39665 -0.39427 -0.39038 -0.38526 -0.38391 -0.38148 -0.37726 -0.37227 -0.36860 -0.35679 -0.33776 -0.33385 -0.33068 -0.32894 -0.32769 -0.32624 -0.32554 -0.32383 -0.32237 -0.32205 -0.32139 -0.32046 -0.31907 -0.31651 -0.00621 0.01678 0.02119 0.02333 0.04819 0.04991 0.05591 0.06327 0.06421 0.08429 0.08716 0.09398 0.10153 0.10430 0.10874 0.11371 0.11827 0.12389 0.12555 0.12840 0.13310 0.13450 0.14326 0.14679 0.14747 0.15434 0.15910 0.16228 0.16640 0.17112 0.17260 0.17553 0.17886 0.18027 0.18487 0.18929 0.19104 0.19847 0.20306 0.20691 0.21060 0.21112 0.21608 0.21808 0.22279 0.22459 0.22787 0.22901 0.23286 0.23634 0.24238 0.24285 0.24879 0.25037 0.25337 0.25722 0.26010 0.26297 0.26577 0.26917 0.27276 0.27606 0.28058 0.28256 0.28462 0.28643 0.28789 0.29122 0.29335 0.29714 0.29973 0.30653 0.30826 0.30930 0.31187 0.31395 0.31615 0.32003 0.32789 0.33349 0.33868 0.34114 0.34567 0.35799 0.36128 0.36501 0.37266 0.38254 0.38994 0.39473 0.40535 0.41467 0.42304 0.42740 0.44418 0.44504 0.44746 0.46640 0.47762 0.48527 0.48827 0.49618 0.49948 0.50400 0.50974 0.51993 0.52630 0.53166 0.53398 0.54605 0.54931 0.55426 0.56101 0.56635 0.57307 0.58136 0.58411 0.59100 0.59604 0.60116 0.60448 0.60910 0.61496 0.62036 0.62247 0.63400 0.63861 0.64225 0.64940 0.65579 0.66074 0.66790 0.67048 0.67474 0.67942 0.69147 0.69403 0.70200 0.71176 0.71548 0.72312 0.74439 0.76959 0.80454 0.95639 0.95987 0.96515 0.97221 0.97684 0.98945 0.99524 0.99821 1.00007 1.00639 1.00922 1.01660 1.01733 1.02452 1.02510 1.03064 1.03869 1.04626 1.04751 1.05646 1.05868 1.06238 1.06436 1.06992 1.07788 1.08427 1.08576 1.09454 1.09943 1.10275 1.10669 1.11043 1.11593 1.12444 1.12739 1.13439 1.14329 1.14414 1.14787 1.15534 1.16324 1.17180 1.17590 1.19462 1.19910 1.20748 1.21557 1.23585 1.25341 1.25934 1.26636 1.27015 1.28093 1.28455 1.29154 1.30382 1.30906 1.31714 1.32075 1.32355 1.33368 1.33546 1.33854 1.34389 1.35528 1.36154 1.36202 1.36919 1.37775 1.38338 1.38916 1.39501 1.39991 1.40239 1.41618 1.42250 1.43054 1.43195 1.43936 1.44664 1.45900 1.45960 1.46593 1.46720 1.48003 1.48357 1.48816 1.50433 1.51827 1.52490 1.53290 1.53655 1.54975 1.55603 1.56952 1.57211 1.57790 1.58562 1.59251 1.59702 1.60263 1.61799 1.62042 1.62131 1.63147 1.64179 1.65255 1.66175 1.67330 1.68185 1.69275 1.69677 1.70188 1.70803 1.72783 1.74219 1.74784 1.75294 1.76812 1.77140 1.77923 1.79047 1.79365 1.80870 1.81953 1.82187 1.82656 1.83445 1.84042 1.86085 1.87268 1.88006 1.93787 2.01093 2.02325 2.03260 2.03819 2.04283 2.05217 2.05301 2.06747 2.11494 2.15409 2.18254 2.19493 2.20740 2.22063 2.24117 2.26621 2.26672 2.27748 2.29260 2.30585 2.31143 2.33295 2.33460 2.35221 2.35591 2.36693 2.37366 2.38479 2.39529 2.40384 2.43565 2.43752 2.46566 2.47884 2.51007 2.55063 2.57061 2.57207 2.58078 2.58315 2.61095 2.61862 2.62864 2.68675 2.69838 2.70789 2.71758 2.72034 2.73509 2.74276 2.75176 2.75542 2.76244 2.76484 2.77477 2.78704 2.79918 2.81632 2.83170 2.83783 2.84658 2.86638 2.87141 2.88118 2.90574 2.91246 2.94738 3.06784 3.07623 3.08002 3.08454 3.09167 3.09915 3.10207 3.11062 3.11199 3.11472 3.11699 3.12497 3.12949 3.13285 3.13900 3.14346 3.15036 3.15354 3.15813 3.16240 3.16980 3.17744 3.17796 3.18583 3.18672 3.19152 3.20083 3.23110 3.24201 3.28775 3.29161 3.29859 3.30263 3.30768 3.31101 3.31436 3.31895 3.32677 3.33891 3.34579 3.35536 3.36465 3.36789 3.39015 3.54232 3.55510 3.67725 3.68278 3.68769 3.69803 3.70674 3.71878 3.72982 3.73473 3.74488 3.75264 3.76362 3.78294 3.79042 3.79636 3.80739 3.82618 3.84124 3.85449 3.86709 3.87818 3.88991 3.89968 3.90816 3.91342 3.91669 3.92156 3.93029 3.93239 3.94280 3.94418 3.94950 3.95213 3.95973 3.96399 3.96524 3.97603 3.98600 4.00765 4.10224 4.21978 4.24597 4.37269 4.65461 4.70908 4.99775 4.99946 5.00596 5.01617 5.02102 5.02768 5.03533 5.04906 5.05906 5.06796 5.07926 5.11945 5.15684 5.17290 5.24839 5.34960 5.39013 5.39622 5.40101 5.41102 5.41907 5.43328 5.45027 5.45921 5.46750 5.48358 5.49569 5.52070 5.54500 5.59895 5.65664 5.66573 5.66795 5.67908 5.68122 5.68398 5.69703 5.69892 5.71271 5.71783 5.75040 5.75394 5.76379 5.79032 5.81776 6.37431 6.42186 6.42365 6.47095 6.52272 6.55866 6.59356 6.68003 6.69370 14.58105 49.88042 49.88835 49.90202 49.90640 49.91583 49.92749 49.93564 49.93825 49.93997 49.94787 49.95884 49.96671 49.97204 49.98286 49.99514 66.85771 66.86719 66.88654 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 0.841188 -0.435627 -0.424991 -0.362530 -0.780178 0.337112 0.316468 -0.771335 0.381919 -0.745019 0.518412 0.399562 0.508662 -0.792623 0.438998 -0.734600 0.427611 -0.806495 0.434499 0.403864 -0.790527 0.356790 0.423684 -0.809163 0.417360 0.422338 -0.747649 0.320429 0.407748 -0.744582 0.425553 0.311857 -0.771593 0.420191 0.350736 -0.719732 0.308576 0.405579 -0.693390 0.372240 0.305773 -0.858900 0.484433 0.379249 -0.694150 0.309175 0.352876 0.386876 0.513325 -0.00000 1.95984366e-01 -1.38134085e+00 1.93937882e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.4981 -3.5110 4.9294 6.0724 -116.2941 -129.7768 -127.2709 6.5177 2.1510 12.4942 8.1532 -5.3295 -2.8236 6.5177 2.1510 12.4942 82.4415 -47.1886 -8.2737 23.8279 -25.4332 74.1691 -42.4055 -26.7110 47.3724 -11.5732 -4092.6013 -3426.4891 -1784.8080 -195.3838 -207.2940 175.7712 175.0128 17.7942 -34.0503 -1051.3681 -1040.4176 -817.3936 174.5179 89.0131 118.8322 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.9457777 9.215E-9 1.039E-5 -6.0697468,2.5291384,3.5406084,4.6405012,-9.5086777,-0.9572525 C01 [X(B1F3H30O15)] 1.795001 -1.1054928 1.1240817 0.000038240 0.000016200 0.000020281 -0.000024945 0.000001850 -0.000011565 -0.000000122 -0.000015624 -0.000008461 -0.000001976 0.000002332 0.000000409 0.000001052 0.000002423 -0.000000042 -0.000002065 -0.000006483 -0.000002064 0.000007886 0.000007785 -0.000000516 -0.000003007 -0.000007443 -0.000015605 -0.000013938 -0.000005503 0.000016106 -0.000021953 0.000009240 -0.000005383 0.000005034 0.000008039 -0.000003522 -0.000005949 0.000001494 -0.000008369 0.000016444 -0.000008317 -0.000003795 0.000004549 0.000000993 0.000002979 -0.000000870 0.000000305 0.000004850 -0.000015528 0.000005103 -0.000000883 0.000009018 0.000003010 -0.000011248 -0.000001073 0.000003676 0.000009837 0.000008079 0.000005212 -0.000004794 0.000002829 -0.000001201 0.000004322 0.000048859 0.000008567 0.000009550 -0.000023107 -0.000008990 0.000001123 -0.000017548 -0.000013767 0.000000417 -0.000003233 -0.000008057 0.000000015 -0.000009288 -0.000007188 0.000005189 -0.000000497 0.000013712 -0.000020667 0.000005504 0.000000375 0.000009520 0.000000699 -0.000003778 0.000001060 0.000002587 -0.000012081 -0.000003385 -0.000009644 0.000006730 0.000013610 0.000002303 -0.000002537 -0.000003891 -0.000003252 -0.000003005 0.000001494 -0.000013422 0.000012348 0.000005514 0.000008993 -0.000008111 -0.000018302 0.000004054 -0.000012276 -0.000005530 -0.000002961 -0.000003891 -0.000004549 -0.000003592 0.000003333 -0.000005854 0.000003795 0.000016231 0.000012755 -0.000009223 -0.000010163 -0.000004442 -0.000000603 0.000002203 0.000007147 0.000009717 0.000004586 0.000001667 -0.000011051 -0.000014390 -0.000000886 0.000023267 0.000000335 -0.000004595 -0.000005627 -0.000002340 -0.000001051 -0.000023292 0.000002505 0.000002910 0.000007496 0.000000645 -0.000010817 0.000000173 0.000002465 0.000002356 0.000018726 0.000003170 0.000009187 -0.000001533 0.000010277 0.000017917 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9914,1.4551,-.5297;-2.271,1.3427,-1.1638;-1.0614,2.6291,.307;-.7859,.341,.2971;.0864,1.5231,-1.4801;2.9398,-1.826,1.4587;-2.9858,-.3308,-1.3415;.722,-1.0273,3.526;-.2052,-1.1934,3.2655;-1.936,-2.4816,.401;-.9499,-2.5355,.0631;.749,-.0651,3.7116;-2.4818,-1.9844,-.3169;2.1169,-1.3674,1.2478;1.6371,-1.2474,2.109;-3.2378,-1.2669,-1.4321;-2.792,-1.5639,-2.2628;2.485,.9959,-.1372;2.3383,.1565,.3536;1.673,1.1354,-.6684;.6377,1.7228,3.8842;.9035,2.2036,4.6773;1.0309,2.2042,3.1154;.4227,-2.6394,-.4867;1.0474,-2.2277,.1544;.4595,-2.0554,-1.2828;4.4099,.3559,-1.9825;4.7689,1.179,-2.336;3.7394,.6295,-1.3128;2.9496,-1.0123,-3.858;3.5127,-.5327,-3.206;3.2854,-1.9171,-3.8639;-1.9705,-1.1833,2.6619;-2.049,-.1961,2.6807;-2.6286,-1.5185,3.2842;-1.8418,-2.0205,-3.6592;-1.7366,-2.9797,-3.6846;-.967,-1.6731,-3.3689;1.4881,2.9513,1.6098;1.9521,2.2784,1.0666;.6184,3.0196,1.1839;.479,-.9801,-2.6579;1.3563,-.9911,-3.1066;.3591,-.0732,-2.3059;-1.9737,1.5437,2.9011;-1.8267,1.9267,2.0227;.0283,2.2881,-2.0646;-1.1036,1.6394,3.3432;-1.9631,-1.9426,1.2546; Gaussian 16 GINC-HORCAJUELO LAMSABHI Optimization 15-agua-BF3/ CONF92 water EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9914,1.4551,-.5297;-2.271,1.3427,-1.1638;-1.0614,2.6291,.307;-.7859,.341,.2971;.0864,1.5231,-1.4801;2.9398,-1.826,1.4587;-2.9858,-.3308,-1.3415;.722,-1.0273,3.526;-.2052,-1.1934,3.2655;-1.936,-2.4816,.401;-.9499,-2.5355,.0631;.749,-.0651,3.7116;-2.4818,-1.9844,-.3169;2.1169,-1.3674,1.2478;1.6371,-1.2474,2.109;-3.2378,-1.2669,-1.4321;-2.792,-1.5639,-2.2628;2.485,.9959,-.1372;2.3383,.1565,.3536;1.673,1.1354,-.6684;.6377,1.7228,3.8842;.9035,2.2036,4.6773;1.0309,2.2042,3.1154;.4227,-2.6394,-.4867;1.0474,-2.2277,.1544;.4595,-2.0554,-1.2828;4.4099,.3559,-1.9825;4.7689,1.179,-2.336;3.7394,.6295,-1.3128;2.9496,-1.0123,-3.858;3.5127,-.5327,-3.206;3.2854,-1.9171,-3.8639;-1.9705,-1.1833,2.6619;-2.049,-.1961,2.6807;-2.6286,-1.5185,3.2842;-1.8418,-2.0205,-3.6592;-1.7366,-2.9797,-3.6846;-.967,-1.6731,-3.3689;1.4881,2.9513,1.6098;1.9521,2.2784,1.0666;.6184,3.0196,1.1839;.479,-.9801,-2.6579;1.3563,-.9911,-3.1066;.3591,-.0732,-2.3059;-1.9737,1.5437,2.9011;-1.8267,1.9267,2.0227;.0283,2.2881,-2.0646;-1.1036,1.6394,3.3432;-1.9631,-1.9426,1.2546; Optimization 15-agua-BF3/ CONF92 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF92/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 5 5 5 6 7 8 8 8 10 10 10 11 12 13 14 14 14 16 17 18 18 18 18 21 21 21 23 24 24 26 27 27 27 30 30 30 33 33 33 34 36 36 38 39 39 42 42 45 45 2 3 4 5 7 20 44 47 14 16 9 12 15 11 13 49 24 21 16 15 19 25 17 36 19 20 29 40 22 23 48 39 25 26 42 28 29 31 31 32 43 34 35 49 45 37 38 42 40 41 43 44 46 48 1.4325 1.4434 1.4025 1.4386 1.8285 1.8239 1.8178 0.9645 0.9653 0.9737 0.9773 0.9802 1.7012 1.0438 1.0298 1.0099 1.4822 1.7996 1.5264 0.993 1.7807 1.7548 0.9884 1.7497 0.9834 0.9802 1.7578 1.838 0.9649 0.9887 1.8253 1.7418 0.9853 0.9879 1.7458 0.9651 0.9864 1.7583 0.986 0.9652 1.7618 0.9904 0.9658 1.5991 1.7554 0.9652 0.9851 1.754 0.9813 0.9708 0.9854 0.9802 0.9694 0.9807 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 2 2 2 3 3 4 1 1 1 1 20 20 44 9 9 12 11 11 13 6 6 6 15 15 19 7 7 13 19 19 19 20 20 29 12 12 12 22 22 23 11 11 25 28 28 29 31 31 32 34 34 35 17 17 37 23 23 40 26 26 26 38 38 43 34 34 46 1 1 1 1 1 1 2 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 16 16 16 18 18 18 18 18 18 21 21 21 21 21 21 24 24 24 27 27 27 30 30 30 33 33 33 36 36 36 39 39 39 42 42 42 42 42 42 45 45 45 3 4 5 4 5 5 7 20 44 47 44 47 47 12 15 15 13 49 49 15 19 25 19 25 25 13 17 17 20 29 40 29 40 40 22 23 48 23 48 48 25 26 26 29 31 31 32 43 43 35 49 49 37 38 38 40 41 41 38 43 44 43 44 44 46 48 48 106.0877 109.2447 112.3648 108.1481 112.3836 108.494 117.6452 110.3471 111.7766 113.1253 83.398 119.3855 115.4817 104.0889 105.4448 105.6595 107.4575 109.057 108.4997 106.2519 114.2192 115.0073 113.0872 107.7648 100.5079 104.811 104.5008 104.4433 105.5655 105.2084 103.0317 104.9767 90.8847 142.2227 123.8431 112.6214 89.1518 106.6774 121.9514 99.8531 108.4499 106.9787 104.6976 105.3578 111.4655 105.4131 105.1455 103.2134 109.1806 106.2436 119.3586 113.9152 109.8477 98.9205 105.1595 107.9681 100.0321 103.239 93.8249 111.2053 106.5969 123.0221 114.2231 106.4241 106.5126 101.0326 103.6156 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 2 10 8 10 8 16 14 5 21 14 24 18 27 33 36 18 30 5 21 10 2 10 8 10 8 16 14 5 21 14 24 18 27 33 36 18 30 5 21 10 7 11 12 13 15 17 19 20 23 25 26 29 31 34 38 40 43 44 48 49 7 11 12 13 15 17 19 20 23 25 26 29 31 34 38 40 43 44 48 49 16 24 21 16 14 36 18 18 39 24 42 27 30 45 42 39 42 42 45 33 16 24 21 16 14 36 18 18 39 24 42 27 30 45 42 39 42 42 45 33 6 1 1 1 1 1 1 8 1 1 1 36 1 2 2 1 6 6 1 1 6 1 1 1 1 1 1 8 1 1 1 36 1 2 2 1 6 6 1 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 172.5876 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 180.6353 173.1045 179.7648 176.7708 174.4051 181.4413 176.2791 170.29 175.4892 177.7739 176.4543 175.8575 186.4651 173.277 168.0885 178.1826 175.6581 170.2827 183.4882 183.1047 183.0284 177.1325 177.0324 181.8881 177.0661 179.9493 186.6344 178.5376 178.831 180.6821 182.7701 180.313 187.0387 176.1394 181.6798 179.7312 175.4344 177.0523 182.1988 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 3 4 5 2 2 2 3 3 3 4 4 4 1 1 1 1 1 44 44 44 47 47 47 1 1 1 20 20 20 47 47 47 9 9 9 12 12 12 9 9 9 15 15 15 11 11 49 49 13 13 49 49 11 11 13 13 6 6 6 15 15 15 25 25 25 6 6 15 15 19 19 7 7 13 13 19 19 20 20 40 40 19 19 20 20 29 29 12 12 22 22 48 48 12 12 22 22 23 23 11 11 11 25 25 25 28 28 29 29 31 31 31 32 32 32 35 35 49 49 17 17 17 37 37 37 1 1 1 1 1 1 1 1 1 1 1 1 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 21 21 21 21 21 21 21 21 21 21 21 21 24 24 24 24 24 24 27 27 27 27 30 30 30 30 30 30 33 33 33 33 36 36 36 36 36 36 2 2 2 5 5 5 5 5 5 5 5 5 16 16 18 18 18 18 18 18 18 18 18 42 42 42 42 42 42 42 42 42 14 14 14 14 14 14 21 21 21 21 21 21 16 16 16 16 24 24 24 24 33 33 33 33 18 18 18 18 18 18 18 18 18 24 24 24 24 24 24 36 36 36 36 27 27 27 27 27 27 39 39 39 39 39 39 39 39 39 39 39 39 45 45 45 45 45 45 42 42 42 42 42 42 30 30 30 30 42 42 42 42 42 42 45 45 45 45 42 42 42 42 42 42 7 7 7 20 44 47 20 44 47 20 44 47 13 17 19 29 40 19 29 40 19 29 40 26 38 43 26 38 43 26 38 43 6 19 25 6 19 25 22 23 48 22 23 48 7 17 7 17 25 26 25 26 34 35 34 35 20 29 40 20 29 40 20 29 40 11 26 11 26 11 26 37 38 37 38 28 31 28 31 28 31 23 41 23 41 23 41 40 41 40 41 40 41 34 46 34 46 34 46 38 43 44 38 43 44 32 43 32 43 26 38 44 26 38 44 46 48 46 48 26 43 44 26 43 44 -140.1315 -23.7695 96.6915 -162.0971 -71.1742 61.2311 78.331 169.2538 -58.3409 -41.2035 49.7193 -177.8754 23.7001 -83.8857 51.5219 164.3364 -50.9664 -59.9952 52.8193 -162.4835 -176.8977 -64.0832 80.614 -46.4181 53.6671 -164.4251 62.6737 162.759 -55.3333 -177.8394 -77.7542 64.1536 -140.4105 92.323 -16.4753 110.2369 -17.0296 -125.8279 125.6075 -101.8788 -2.5145 -125.3954 7.1183 106.4826 -75.3251 33.9204 42.2755 151.5211 123.0932 10.3962 5.4049 -107.2921 87.7957 -144.4531 -30.0751 97.6761 152.4057 41.5989 -112.6497 -86.1306 163.0626 8.814 28.7499 -82.0569 123.6945 135.2618 -112.1737 16.0239 128.5884 -101.8847 10.6799 159.2499 50.2834 50.9524 -58.0141 -165.0652 76.8327 84.459 -33.6431 -27.8816 -145.9837 5.3147 -97.3308 110.5563 7.9108 -137.8551 119.4994 -13.6477 92.5813 128.7671 -125.0039 -104.2602 1.9689 0.4655 -107.814 -130.46 121.2606 112.9873 4.7079 -51.109 -179.0558 65.3843 -165.4655 66.5876 -48.9723 129.1418 -116.9791 -117.6655 -3.7864 -71.4657 178.9176 43.6226 39.6885 -69.9282 154.7768 -143.8111 109.0003 -8.9415 -116.1301 61.4001 179.9918 -47.7123 -50.7946 67.7971 -159.907 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00033 0.00071 0.00077 0.00092 0.00097 0.00123 0.00141 0.00159 0.00164 0.00181 0.00205 0.00218 0.00225 0.00267 0.00282 0.00310 0.00320 0.00342 0.00358 0.00409 0.00442 0.00468 0.00484 0.00502 0.00534 0.00563 0.00578 0.00621 0.00636 0.00659 0.00672 0.00706 0.00733 0.00777 0.00822 0.00843 0.00887 0.00915 0.00923 0.00969 0.01013 0.01032 0.01065 0.01087 0.01117 0.01136 0.01192 0.01209 0.01249 0.01267 0.01285 0.01312 0.01358 0.01379 0.01412 0.01419 0.01470 0.01520 0.01558 0.01591 0.01607 0.01672 0.01709 0.01745 0.01755 0.01784 0.01851 0.01868 0.01888 0.01947 0.01979 0.02029 0.02121 0.02137 0.02201 0.02221 0.02444 0.02558 0.02633 0.02823 0.02903 0.03227 0.03486 0.03811 0.03967 0.04027 0.04443 0.04555 0.04993 0.05183 0.05454 0.05553 0.05657 0.05858 0.06018 0.06173 0.06326 0.06435 0.06637 0.07039 0.07406 0.08174 0.09171 0.11011 0.13614 0.15468 0.16948 0.20665 0.25072 0.29939 0.30730 0.31857 0.36799 0.37360 0.38162 0.39794 0.40968 0.42422 0.42669 0.43105 0.43279 0.43575 0.43887 0.44476 0.45187 0.45634 0.45677 0.46436 0.46677 0.47141 0.48128 0.48557 0.49606 0.50654 0.52594 0.52611 0.52622 0.52641 0.52665 0.52755 0.52769 Angle between quadratic step and forces= 66.94 degrees. 1 2 3 0.00133297 0.00000227 0.00000000 0.00000189 0.00000128 0.00000128 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 A99 A100 A101 A102 A103 A104 A105 A106 A107 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 2.70694 2.72764 2.65027 2.71856 3.45530 3.44665 3.43523 1.82265 1.82424 1.84001 1.84682 1.85240 3.21473 1.97249 1.94606 1.90853 2.80100 3.40082 2.88453 1.87656 3.36508 3.31615 1.86771 3.30646 1.85840 1.85230 3.32176 3.47326 1.82334 1.86831 3.44929 3.29155 1.86197 1.86690 3.29911 1.82370 1.86400 3.32263 1.86331 1.82388 3.32932 1.87168 1.82508 3.02181 3.31722 1.82401 1.86151 3.31463 1.85448 1.83461 1.86205 1.85222 1.83196 1.85322 1.85158 1.90668 1.96114 1.88754 1.96146 1.89358 2.05330 1.92592 1.95087 1.97441 1.45557 2.08367 2.01554 1.81669 1.84036 1.84411 1.87549 1.90340 1.89368 1.85445 1.99350 2.00726 1.97374 1.88085 1.75419 1.82930 1.82388 1.82288 1.84246 1.83623 1.79824 1.83219 1.58624 2.48225 2.16147 1.96561 1.55599 1.86187 2.12845 1.74277 1.89281 1.86713 1.82732 1.83884 1.94544 1.83981 1.83514 1.80141 1.90556 1.85430 2.08320 1.98820 1.91720 1.72649 1.83538 1.88440 1.74589 1.80186 1.63755 1.94090 1.86047 2.14714 1.99357 1.85745 1.85899 1.76335 1.80843 3.01222 3.15268 3.02124 3.13749 3.08523 3.04394 3.16675 3.07665 2.97212 3.06286 3.10274 3.07971 3.06929 3.25443 3.02425 2.93370 3.10987 3.06581 2.97199 3.20247 3.19578 3.19445 3.09154 3.08980 3.17455 3.09039 3.14071 3.25738 3.11607 3.12119 3.15350 3.18994 3.14706 3.26444 3.07421 3.17091 3.13690 3.06191 3.09014 3.17997 -2.44576 -0.41486 1.68759 -2.82913 -1.24222 1.06868 1.36713 2.95404 -1.01824 -0.71914 0.86777 -3.10451 0.41364 -1.46408 0.89923 2.86821 -0.88953 -1.04711 0.92187 -2.83587 -3.08745 -1.11846 1.40698 -0.81015 0.93667 -2.86976 1.09386 2.84068 -0.96575 -3.10388 -1.35707 1.11969 -2.45063 1.61134 -0.28755 1.92400 -0.29722 -2.19611 2.19226 -1.77812 -0.04389 -2.18856 0.12424 1.85847 -1.31467 0.59202 0.73785 2.64454 2.14838 0.18145 0.09433 -1.87260 1.53232 -2.52118 -0.52491 1.70477 2.65998 0.72604 -1.96611 -1.50326 2.84598 0.15383 0.50178 -1.43216 2.15888 2.36076 -1.95780 0.27967 2.24429 -1.77822 0.18640 2.77944 0.87761 0.88929 -1.01254 -2.88093 1.34098 1.47409 -0.58718 -0.48663 -2.54790 0.09276 -1.69874 1.92957 0.13807 -2.40603 2.08566 -0.23820 1.61585 2.24741 -2.18173 -1.81968 0.03436 0.00812 -1.88171 -2.27696 2.11640 1.97200 0.08217 -0.89202 -3.12511 1.14117 -2.88792 1.16217 -0.85473 2.25395 -2.04167 -2.05365 -0.06609 -1.24731 3.12270 0.76136 0.69270 -1.22048 2.70137 -2.50998 1.90241 -0.15606 -2.02685 1.07163 3.14145 -0.83274 -0.88653 1.18328 -2.79090 0.00003 -0.00002 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00002 -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 0.00001 -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 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00002 -0.00001 -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 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 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 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00018 -0.00010 -0.00003 -0.00005 -0.00038 0.00020 0.00043 0.00000 0.00000 0.00002 0.00001 -0.00005 -0.00000 0.00009 -0.00017 0.00013 -0.00022 0.00010 0.00061 -0.00000 0.00027 0.00058 0.00002 -0.00007 -0.00002 0.00000 0.00055 -0.00023 -0.00003 -0.00002 0.00028 -0.00016 -0.00002 0.00011 -0.00087 -0.00000 -0.00004 0.00006 -0.00000 0.00001 -0.00131 -0.00002 -0.00001 -0.00074 0.00012 -0.00000 0.00003 -0.00036 0.00000 -0.00003 0.00012 -0.00001 0.00004 0.00007 -0.00006 -0.00002 -0.00006 -0.00002 0.00010 0.00006 -0.00004 0.00003 -0.00066 -0.00007 0.00101 -0.00017 0.00005 0.00005 0.00098 -0.00062 -0.00012 0.00003 0.00021 -0.00000 -0.00000 -0.00067 0.00011 -0.00091 0.00143 -0.00030 -0.00007 -0.00005 -0.00013 -0.00182 0.00019 0.00011 0.00026 0.00143 0.00344 0.00170 -0.00073 0.00023 -0.00394 -0.00202 -0.00010 -0.00011 -0.00006 0.00002 -0.00077 -0.00036 0.00003 0.00095 -0.00051 0.00022 -0.00025 0.00001 0.00031 -0.00030 0.00005 -0.00072 0.00112 0.00006 -0.00000 -0.00113 0.00004 0.00099 -0.00009 -0.00003 -0.00024 -0.00013 0.00003 0.00035 0.00008 0.00003 -0.00001 -0.00010 -0.00014 -0.00030 -0.00028 0.00012 -0.00024 0.00019 0.00008 -0.00005 0.00029 0.00030 0.00042 0.00009 -0.00009 0.00039 0.00016 0.00001 0.00016 0.00059 0.00005 -0.00008 0.00019 0.00067 -0.00002 0.00063 -0.00040 -0.00024 0.00050 -0.00025 0.00013 0.00018 -0.00030 0.00033 0.00032 0.00059 0.00025 0.00067 0.00060 0.00062 -0.00078 0.00014 -0.00048 -0.00073 0.00018 -0.00043 -0.00080 0.00011 -0.00051 -0.00038 -0.00029 0.00064 -0.00146 0.00039 0.00102 -0.00108 0.00077 0.00040 -0.00171 0.00014 -0.00013 -0.00005 0.00126 0.00022 0.00030 0.00161 0.00051 0.00060 0.00190 0.00016 0.00009 -0.00113 -0.00004 -0.00011 -0.00133 -0.00526 0.00122 -0.00116 -0.00433 0.00216 -0.00023 0.00018 -0.00001 0.00026 0.00006 0.00011 0.00026 -0.00010 0.00004 -0.00063 -0.00043 -0.00065 -0.00046 -0.00138 -0.00049 -0.00106 -0.00111 -0.00023 -0.00079 -0.00139 -0.00051 -0.00108 0.00024 -0.00002 0.00122 0.00096 0.00080 0.00053 -0.00017 -0.00019 0.00020 0.00019 -0.00083 0.00007 -0.00003 0.00087 -0.00213 -0.00123 0.00127 0.00007 0.00123 0.00003 0.00281 0.00161 -0.00215 -0.00183 0.00466 0.00498 -0.00082 -0.00049 0.00025 0.00041 -0.00157 -0.00140 0.00187 0.00204 -0.00021 -0.00088 -0.00026 -0.00007 -0.00074 -0.00012 0.00000 -0.00012 -0.00054 -0.00066 -0.00003 0.00047 -0.00048 0.00025 0.00076 -0.00019 -0.00007 0.00003 0.00009 0.00018 -0.00010 -0.00114 -0.00017 -0.00041 -0.00145 -0.00047 0.00018 -0.00010 -0.00003 -0.00005 -0.00038 0.00020 0.00043 0.00000 0.00000 0.00002 0.00001 -0.00005 -0.00000 0.00009 -0.00017 0.00013 -0.00022 0.00010 0.00061 -0.00000 0.00027 0.00058 0.00002 -0.00007 -0.00002 0.00000 0.00055 -0.00023 -0.00003 -0.00002 0.00028 -0.00016 -0.00002 0.00011 -0.00087 -0.00000 -0.00004 0.00006 -0.00000 0.00001 -0.00131 -0.00002 -0.00001 -0.00074 0.00012 -0.00000 0.00003 -0.00036 0.00000 -0.00003 0.00012 -0.00001 0.00004 0.00007 -0.00006 -0.00002 -0.00006 -0.00002 0.00010 0.00006 -0.00004 0.00003 -0.00066 -0.00007 0.00101 -0.00017 0.00005 0.00005 0.00098 -0.00062 -0.00012 0.00003 0.00021 -0.00000 -0.00000 -0.00067 0.00011 -0.00091 0.00143 -0.00030 -0.00007 -0.00005 -0.00013 -0.00182 0.00019 0.00011 0.00025 0.00143 0.00344 0.00169 -0.00072 0.00022 -0.00394 -0.00202 -0.00010 -0.00011 -0.00006 0.00002 -0.00077 -0.00036 0.00003 0.00095 -0.00051 0.00022 -0.00025 0.00001 0.00031 -0.00030 0.00005 -0.00072 0.00112 0.00006 -0.00000 -0.00113 0.00004 0.00099 -0.00009 -0.00003 -0.00024 -0.00013 0.00003 0.00035 0.00008 0.00003 -0.00001 -0.00010 -0.00014 -0.00030 -0.00028 0.00012 -0.00024 0.00019 0.00008 -0.00005 0.00030 0.00030 0.00042 0.00009 -0.00009 0.00039 0.00016 0.00001 0.00016 0.00059 0.00005 -0.00008 0.00019 0.00067 -0.00002 0.00063 -0.00040 -0.00024 0.00050 -0.00025 0.00013 0.00018 -0.00030 0.00033 0.00032 0.00059 0.00025 0.00067 0.00060 0.00062 -0.00078 0.00014 -0.00048 -0.00073 0.00018 -0.00043 -0.00080 0.00011 -0.00051 -0.00038 -0.00029 0.00064 -0.00146 0.00039 0.00102 -0.00108 0.00077 0.00039 -0.00171 0.00014 -0.00013 -0.00005 0.00126 0.00022 0.00030 0.00161 0.00051 0.00060 0.00190 0.00016 0.00009 -0.00113 -0.00004 -0.00011 -0.00133 -0.00527 0.00123 -0.00116 -0.00433 0.00216 -0.00023 0.00018 -0.00001 0.00026 0.00006 0.00011 0.00026 -0.00010 0.00004 -0.00063 -0.00043 -0.00065 -0.00046 -0.00138 -0.00049 -0.00106 -0.00111 -0.00023 -0.00079 -0.00139 -0.00051 -0.00108 0.00024 -0.00002 0.00122 0.00096 0.00080 0.00053 -0.00017 -0.00019 0.00020 0.00019 -0.00083 0.00007 -0.00003 0.00087 -0.00213 -0.00123 0.00127 0.00007 0.00123 0.00003 0.00281 0.00161 -0.00215 -0.00183 0.00466 0.00498 -0.00082 -0.00049 0.00025 0.00041 -0.00157 -0.00140 0.00187 0.00204 -0.00021 -0.00088 -0.00026 -0.00007 -0.00074 -0.00012 0.00000 -0.00012 -0.00054 -0.00066 -0.00003 0.00047 -0.00048 0.00025 0.00076 -0.00019 -0.00007 0.00003 0.00009 0.00018 -0.00010 -0.00114 -0.00017 -0.00041 -0.00145 -0.00047 2.70712 2.72754 2.65024 2.71851 3.45491 3.44685 3.43566 1.82265 1.82424 1.84003 1.84683 1.85235 3.21472 1.97258 1.94589 1.90866 2.80078 3.40092 2.88515 1.87656 3.36535 3.31673 1.86773 3.30639 1.85838 1.85231 3.32231 3.47303 1.82331 1.86830 3.44957 3.29139 1.86195 1.86701 3.29824 1.82370 1.86396 3.32269 1.86331 1.82388 3.32801 1.87166 1.82507 3.02107 3.31734 1.82401 1.86153 3.31426 1.85448 1.83457 1.86217 1.85221 1.83200 1.85330 1.85152 1.90666 1.96108 1.88752 1.96157 1.89363 2.05326 1.92595 1.95021 1.97433 1.45658 2.08350 2.01559 1.81675 1.84134 1.84349 1.87536 1.90344 1.89388 1.85445 1.99350 2.00659 1.97385 1.87994 1.75562 1.82899 1.82381 1.82283 1.84233 1.83442 1.79843 1.83230 1.58649 2.48369 2.16491 1.96731 1.55527 1.86209 2.12451 1.74074 1.89271 1.86702 1.82726 1.83886 1.94467 1.83945 1.83517 1.80237 1.90505 1.85452 2.08295 1.98820 1.91752 1.72619 1.83543 1.88368 1.74701 1.80192 1.63755 1.93977 1.86051 2.14813 1.99348 1.85742 1.85876 1.76322 1.80846 3.01257 3.15276 3.02127 3.13748 3.08513 3.04380 3.16645 3.07637 2.97224 3.06263 3.10293 3.07978 3.06924 3.25472 3.02455 2.93412 3.10996 3.06572 2.97238 3.20263 3.19579 3.19461 3.09213 3.08985 3.17446 3.09058 3.14138 3.25736 3.11670 3.12079 3.15326 3.19044 3.14680 3.26457 3.07439 3.17061 3.13723 3.06223 3.09074 3.18022 -2.44509 -0.41426 1.68820 -2.82991 -1.24209 1.06820 1.36640 2.95422 -1.01867 -0.71994 0.86788 -3.10502 0.41326 -1.46437 0.89987 2.86675 -0.88914 -1.04609 0.92079 -2.83510 -3.08705 -1.12017 1.40712 -0.81028 0.93662 -2.86850 1.09408 2.84098 -0.96414 -3.10337 -1.35647 1.12159 -2.45046 1.61143 -0.28868 1.92396 -0.29733 -2.19744 2.18700 -1.77689 -0.04505 -2.19290 0.12640 1.85824 -1.31449 0.59201 0.73810 2.64460 2.14850 0.18171 0.09423 -1.87256 1.53170 -2.52161 -0.52556 1.70431 2.65861 0.72554 -1.96717 -1.50437 2.84575 0.15304 0.50039 -1.43267 2.15780 2.36100 -1.95782 0.28089 2.24525 -1.77743 0.18693 2.77927 0.87742 0.88949 -1.01235 -2.88176 1.34105 1.47405 -0.58631 -0.48876 -2.54912 0.09403 -1.69868 1.93080 0.13810 -2.40321 2.08727 -0.24035 1.61402 2.25207 -2.17675 -1.82050 0.03387 0.00837 -1.88129 -2.27853 2.11500 1.97387 0.08421 -0.89223 -3.12600 1.14091 -2.88798 1.16143 -0.85485 2.25395 -2.04179 -2.05419 -0.06674 -1.24735 3.12317 0.76088 0.69295 -1.21972 2.70117 -2.51005 1.90244 -0.15597 -2.02667 1.07153 3.14030 -0.83290 -0.88694 1.18183 -2.79138 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000026 0.000005 0.006813 0.001333 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.379224e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 91 91 2122.4346475853 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0573936516 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 1.432451 0.000000 1.443405 2.298095 0.000000 1.402461 2.311522 2.304639 0.000000 1.438598 2.385309 2.394671 2.305740 0.000000 5.493033 6.638529 6.097854 4.463829 5.290974 0.000000 2.797459 1.828465 3.896412 2.824159 3.590899 6.722249 0.000000 5.054376 6.047259 5.187645 3.817322 5.654143 3.135355 6.158343 0.000000 4.694252 5.506198 4.908884 3.391625 5.475832 3.681799 5.449775 0.977296 0.000000 4.154003 4.145635 5.185875 3.049737 4.864784 5.032080 2.960409 4.352705 3.586217 0.000000 4.034578 4.276821 5.171602 2.890715 4.464025 4.192941 3.313338 4.130646 3.551306 1.043796 0.000000 4.830013 5.905280 4.704034 3.765625 5.469486 3.602209 6.289126 0.980249 1.543502 4.899912 4.722419 0.000000 3.754507 3.439672 4.867368 2.942926 4.500134 5.707160 2.009464 5.093987 4.317707 1.029813 1.671816 5.509171 0.000000 4.559356 5.693347 5.192207 3.499821 4.463126 0.965347 5.815178 2.692862 3.081111 4.287715 3.489027 3.104395 4.896661 0.000000 4.601657 5.717784 5.055350 3.417155 4.791835 1.566708 5.840964 1.701159 2.175902 4.148211 3.540848 2.180607 4.836705 0.993033 0.000000 3.642800 2.795926 4.789662 3.404102 4.340171 6.843396 0.973693 6.349889 5.591993 2.555474 3.013217 6.617980 1.526430 5.988762 6.025351 0.000000 3.919168 3.150830 5.213485 3.769131 4.292740 6.838963 1.551402 6.793120 6.114819 2.944562 3.122002 7.104839 2.014796 6.038245 6.231336 0.988350 0.000000 3.528489 4.877810 3.929562 3.363920 2.798972 3.273693 5.756702 4.541025 4.858871 5.650487 4.930475 4.353526 5.795147 2.763946 3.285870 6.288699 6.238382 0.000000 3.681482 4.995448 4.204025 3.130079 3.209476 2.348031 5.608559 3.752061 4.095177 5.023041 4.259470 3.721740 5.316576 1.780723 2.354552 6.025563 6.010380 0.983424 0.000000 2.687152 3.980398 3.264902 2.758516 1.823888 3.859927 4.930279 4.814003 4.942302 5.220321 4.570638 4.634594 5.207669 3.183267 3.659628 5.520089 5.455779 0.980197 1.563726 0.000000 4.712573 5.838441 4.062600 4.099164 5.396228 4.876101 6.682406 2.774530 3.097894 6.036023 5.937559 1.799638 6.412775 4.322910 3.601694 7.226457 7.768562 4.484716 4.220249 4.705597 0.000000 5.591471 6.703562 4.810580 5.050739 6.248569 5.544739 7.601069 3.434704 3.842135 6.949943 6.869236 2.470578 7.344558 5.097664 4.363997 8.156073 8.718751 5.209588 4.994439 5.505426 0.964867 0.000000 4.235267 5.473181 3.527737 3.835976 4.740684 4.757241 6.513317 3.272085 3.618544 6.174725 5.975384 2.363240 6.454757 4.174184 3.646127 7.137967 7.598533 3.762176 3.678342 3.983883 0.988669 1.567151 0.000000 4.331959 4.855009 5.530774 3.310246 4.292538 3.283599 4.204461 4.334824 4.069952 2.525127 1.482224 4.935530 2.982285 2.738058 3.185918 4.022001 3.826900 4.194117 3.491737 3.980655 6.178953 7.096026 6.066750 0.000000 4.264674 5.049456 5.297058 3.159032 4.202793 2.333145 4.701301 3.593675 3.509637 3.004305 2.022925 4.173645 3.568857 1.754831 2.264712 4.669387 4.585249 3.541674 2.718488 3.518394 5.448395 6.333563 5.330036 0.985313 0.000000 3.872471 4.360876 5.175497 3.128905 3.603344 3.704017 3.853305 4.924476 4.676735 2.958917 2.007033 5.384152 3.096709 3.102282 3.680142 3.783440 3.431421 3.837382 3.331619 3.468697 6.403442 7.338918 6.149372 0.987920 1.562296 0.000000 5.700311 6.802819 6.351775 5.673895 4.506409 4.331694 7.455133 6.771835 7.158280 7.348680 6.424339 6.782526 7.466419 4.320063 5.196073 7.837372 7.458705 2.742284 3.128711 3.134531 7.107480 7.750017 6.389285 5.206436 4.748472 4.680777 0.000000 6.043166 7.138614 6.563558 6.204058 4.772462 5.174462 7.962608 7.457072 7.857862 8.114572 7.228919 7.367546 8.164333 5.134313 5.954246 8.420598 8.043382 3.175556 3.766587 3.516676 7.486849 8.073268 6.688886 6.073637 5.626471 5.490103 0.965060 0.000000 4.865762 6.054366 5.447017 4.811783 3.764420 3.788187 6.793480 5.938376 6.312210 6.695281 5.822398 5.888143 6.821176 3.630092 4.432988 7.231365 6.955097 1.757798 2.227990 2.222874 6.150188 6.811919 5.424473 4.729590 4.190907 4.238831 0.986387 1.551942 0.000000 5.718163 6.329229 6.833426 5.748940 4.503421 5.378622 6.482775 7.712765 7.792969 6.645847 5.735965 7.939740 6.556311 5.185512 6.114167 6.650864 5.984612 4.253598 4.413309 4.051717 8.530389 9.347796 7.915553 4.516465 4.603864 3.731042 2.742621 3.229244 3.130089 0.000000 5.603673 6.413938 6.577309 5.613643 4.352556 4.874448 6.763713 7.304319 7.492658 6.818892 5.883290 7.463944 6.810957 4.741521 5.681356 7.018224 6.457787 3.579146 3.811158 3.550604 7.976458 8.743153 7.321906 4.623960 4.499285 3.916587 1.758260 2.294492 2.233007 0.986021 0.000000 6.385896 6.984994 7.547142 6.244048 5.267942 5.334511 6.943119 7.872307 7.970947 6.765414 5.808702 8.200677 6.771029 5.272293 6.232174 6.992044 6.294743 4.797305 4.794106 4.704156 8.960545 9.777834 8.412973 4.485753 4.609983 3.829735 3.157587 3.757766 3.633079 0.965153 1.549530 0.000000 4.255081 4.594257 4.572339 3.052729 5.358280 5.096210 4.217173 2.832036 1.865664 2.607418 3.102279 3.122143 3.126742 4.328960 3.650272 4.286543 5.007216 5.695184 5.068371 5.453647 4.091658 4.877805 4.548489 4.214404 4.060243 4.714440 8.040456 8.716529 7.189407 8.169819 8.057361 8.411209 0.000000 3.761837 4.146970 3.819905 2.750560 4.982730 5.388706 4.131959 3.013997 2.176328 3.230031 3.678684 2.984840 3.517163 4.558498 3.875547 4.413045 5.182687 5.469825 4.978767 5.181021 3.514169 4.296899 3.928936 4.702251 4.482957 5.045662 7.985501 8.575647 7.080680 8.270863 8.105522 8.616790 0.990448 0.000000 5.105726 5.300916 5.340673 3.971954 6.270644 5.868008 4.789063 3.395016 2.445183 3.117707 3.771994 3.701782 3.634066 5.166126 4.432911 4.762190 5.549559 6.646590 6.005293 6.416401 4.640543 5.317059 5.222920 4.978575 4.879639 5.539110 8.988437 9.673948 8.142368 9.076553 8.989450 9.285949 0.965791 1.564891 0.000000 4.753596 4.209823 6.161110 4.726965 4.585185 7.006704 3.087995 7.693311 7.163405 4.087349 3.862099 8.053881 3.403219 6.338514 6.780286 2.734317 1.749703 6.342258 6.189866 5.591017 8.778561 9.740551 8.485023 3.946550 4.788949 3.308288 6.895122 7.462491 6.608958 4.900380 5.575838 5.132361 6.377604 6.600388 7.005835 0.000000 5.493250 5.032207 6.917213 5.271157 5.334654 7.046508 3.750626 7.864488 7.337619 4.120665 3.855031 8.329318 3.589915 6.463603 6.924491 3.203219 2.267140 6.797895 6.538124 6.136613 9.221579 10.186246 8.987314 3.873610 4.801516 3.383235 7.197453 7.838045 6.974170 5.085434 5.811421 5.136380 6.600004 6.954311 7.175991 0.965225 0.000000 4.224560 3.957000 5.659527 4.186753 3.859116 6.212196 3.160348 7.128084 6.695212 3.975513 3.538695 7.460825 3.421472 5.560376 6.080245 3.012100 2.136900 5.429827 5.303617 4.706412 8.167873 9.125218 7.814764 3.342396 4.096217 2.555977 5.911816 6.488516 5.628445 4.001922 4.625420 4.288047 6.133310 6.320554 6.859193 0.985067 1.548968 0.000000 3.600607 4.940767 2.881161 3.702388 3.681293 4.995258 6.284748 4.481926 4.773535 6.534693 6.200112 3.750018 6.620688 4.379227 4.230895 7.027195 7.328270 2.805236 3.179923 2.919166 2.721272 3.210995 1.741812 6.065152 5.397604 5.873014 5.308290 5.428965 4.358972 6.909645 6.279272 7.542719 5.492115 4.854331 6.303179 7.973071 8.579419 7.224936 0.000000 3.448293 4.866710 3.127498 3.441270 3.246099 4.239772 6.081947 4.299943 4.641378 6.182128 5.709915 3.733065 6.304425 3.654092 3.690180 6.763811 6.953816 1.837968 2.271651 2.096317 3.158342 3.760633 2.247568 5.379319 4.685715 5.150737 4.362849 4.552004 3.402231 6.006356 5.347291 6.609853 5.469468 4.973727 6.349599 7.430249 7.989322 6.618876 0.981347 0.000000 2.824137 4.083142 1.934698 3.151687 3.101506 5.379995 5.531083 4.676907 4.770789 6.115655 5.880073 3.990245 6.074835 4.636346 4.483427 6.331553 6.672265 3.053673 3.441664 2.844869 2.995632 3.598784 2.136720 5.903674 5.364513 5.644985 5.612270 5.744916 4.656926 6.863818 6.345663 7.547468 5.152755 4.438069 5.962279 7.410213 8.077138 6.727753 0.970832 1.530336 0.000000 3.552673 3.897455 4.918347 3.475257 2.794165 4.870038 3.762913 6.188902 5.966639 4.176586 3.444556 6.440594 3.905864 4.252959 4.912834 3.924253 3.346168 3.779188 3.717193 3.139981 7.080251 8.007647 6.616291 2.733221 3.128728 1.745815 4.206292 4.813305 3.876889 2.746827 3.115098 3.195028 5.860197 5.958711 6.727256 2.733378 3.156217 1.754025 5.889606 5.163365 5.547666 0.000000 4.258564 4.730482 5.532028 4.236510 3.252535 4.903674 4.733369 6.662940 6.563714 5.036221 4.213092 6.907517 4.847666 4.436332 5.229374 4.897476 4.271818 3.746864 3.775395 3.250727 7.533386 8.426164 7.002017 3.232952 3.501248 2.294179 3.521735 4.116893 3.394595 1.761798 2.206883 2.269974 6.661772 6.761651 7.549760 3.404821 3.722198 2.435422 6.148469 5.334823 5.919298 0.985354 0.000000 2.704533 3.197899 4.018437 2.873700 1.817844 4.889170 3.490693 5.920572 5.710847 4.288959 3.659020 6.030146 3.959769 4.170581 4.743736 3.889276 3.486240 3.219523 3.323011 2.422548 6.451390 7.365190 5.918455 3.146193 3.341957 2.232962 4.086274 4.584174 3.592540 3.162526 3.311563 3.793474 5.598063 5.538967 6.501116 3.235370 3.839363 2.334109 5.074934 4.409294 4.670276 0.980155 1.574095 0.000000 3.569763 4.080747 2.956292 3.104572 4.841408 6.130087 4.747397 3.777213 3.279043 4.738721 5.073762 3.264742 4.802225 5.285923 4.632060 5.317434 6.082170 5.423232 5.196865 5.119228 2.796064 3.445118 3.083744 5.892233 5.558306 6.031540 8.124741 8.545313 7.157700 8.744040 8.468134 9.241246 2.737489 1.755398 3.154869 7.467202 7.993082 7.118600 3.953834 4.395121 3.441780 6.579392 7.321607 5.930391 0.000000 2.726713 3.269944 2.005682 2.564242 4.011531 6.092592 4.213979 4.181065 3.729380 4.698391 4.951782 3.667937 4.604273 5.196450 4.698941 4.911893 5.610841 4.911421 4.823516 4.485083 3.095132 3.818065 3.071867 5.674996 5.386031 5.657754 7.576577 7.940941 6.617385 8.126112 7.867483 8.692530 3.178201 2.233513 3.755506 6.918451 7.526898 6.539645 3.494020 3.913705 2.806497 5.972768 6.704760 5.245403 0.969433 0.000000 2.022306 2.644196 2.632170 3.167255 0.964506 6.149459 4.057887 6.536654 6.370644 5.717315 5.362005 6.278680 5.254462 5.356980 5.701470 4.868879 4.778247 3.379285 3.965751 2.446060 6.006592 6.799032 5.276760 5.188940 5.133705 4.434364 4.789448 4.876119 4.133786 4.758462 4.626095 5.615157 6.195594 5.744934 7.082316 4.960294 5.786979 4.287512 4.009001 3.675008 3.381718 3.352040 3.688096 2.396553 5.405586 4.503093 0.000000 3.878946 4.665236 3.193744 3.326507 4.969296 5.648809 5.419490 3.236831 2.972794 5.131503 5.311586 2.544230 5.331770 4.878814 4.167533 5.983815 6.673771 5.040379 4.794090 4.904733 1.825284 2.475205 2.219628 5.941860 5.454283 6.123301 7.772361 8.182363 6.793615 8.678586 8.301848 9.157185 3.030362 2.168418 3.507359 7.935618 8.433695 7.486239 3.382709 3.863747 3.087536 6.736476 7.387141 6.081542 0.980684 1.532693 5.562971 0.000000 3.958749 4.091058 4.755125 2.741794 4.867196 4.908465 3.222317 3.634091 2.774020 1.009948 1.672694 4.113032 1.655455 4.120284 3.764888 3.049617 3.633527 5.509717 4.870221 5.137426 5.207045 6.092889 5.442590 3.034718 3.217828 3.509978 7.508438 8.243502 6.762076 7.151143 7.202020 7.331164 1.599072 2.256326 2.177593 4.915921 5.052016 4.737265 5.998876 5.760281 5.593923 4.711490 5.562646 4.643733 3.855561 3.947090 5.734214 4.234541 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2568,.4653,-1.7875;-.0135,1.767,-2.3208;1.4064,-.0305,-2.5058;.6049,.5834,-.4341;-.8761,-.4152,-1.8922;-.0154,-2.1693,3.0248;-.5096,3.0784,-1.1472;2.7124,-.7279,2.4661;2.6712,.2197,2.2307;.1209,2.6885,1.7189;-.4679,1.8531,1.9309;3.1764,-1.142,1.7084;-.2307,3.0998,.8427;.157,-1.5601,2.2961;1.1075,-1.2858,2.3821;-.8187,3.6755,-.4429;-1.7879,3.4949,-.3731;-.4609,-2.5979,-.19;-.2382,-2.2145,.6878;-.6834,-1.8337,-.762;3.925,-1.7397,.1849;4.7273,-2.2749,.1543;3.2707,-2.1749,-.4151;-1.3688,.7122,2.2203;-.8228,-.1042,2.2988;-1.9203,.5683,1.4134;-2.8581,-3.862,.2289;-3.0176,-4.4526,-.5175;-1.9826,-3.4446,.0493;-4.6051,-1.7479,.2524;-4.0114,-2.5351,.2574;-4.9846,-1.7126,1.1391;2.5973,1.9156,1.4566;2.9455,1.6119,.5805;3.235,2.5583,1.7927;-3.4577,2.9915,-.2326;-3.8103,3.2612,.6245;-3.3184,2.0191,-.1594;2.0115,-2.6668,-1.5135;1.1812,-2.7619,-.9992;1.878,-1.8374,-2.0001;-2.8403,.3349,-.0519;-3.4873,-.4017,.047;-2.2028,.0531,-.7409;3.6726,.8548,-.8264;2.9534,.6974,-1.4572;-1.1527,-.57,-2.8031;3.8723,-.0392,-.4763;1.075,2.3911,1.5731; 0.2350852 0.1923517 0.1565073 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 598 RedAO= T EigKep= 9.33D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 599 599 599 599 599 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.94577767414 -1471.94577767 1 1.467083773773e+03 -7.730549060350e+03 2.669125761314e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 49. Will process 50 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 15275 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 15099494400 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 780000000 NMat= 147 IRICut= 367 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 4.61D-14 1.00D-09 XBig12= 7.16D+01 9.74D-01. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 4.61D-14 1.00D-09 XBig12= 3.15D+00 1.19D-01. 147 vectors produced by pass 2 Test12= 4.61D-14 1.00D-09 XBig12= 3.19D-02 1.28D-02. 147 vectors produced by pass 3 Test12= 4.61D-14 1.00D-09 XBig12= 1.00D-04 6.56D-04. 147 vectors produced by pass 4 Test12= 4.61D-14 1.00D-09 XBig12= 1.46D-07 1.80D-05. 97 vectors produced by pass 5 Test12= 4.61D-14 1.00D-09 XBig12= 1.57D-10 7.42D-07. 7 vectors produced by pass 6 Test12= 4.61D-14 1.00D-09 XBig12= 1.57D-13 2.92D-08. 3 vectors produced by pass 7 Test12= 4.61D-14 1.00D-09 XBig12= 2.29D-16 1.71D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 842 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 186.06 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 191.587 0.175 186.422 -0.552 -0.057 180.161 176.593 -0.131 173.359 -0.897 0.458 170.640 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT29556.300S Fri Jul 19 07:22:02 2024 -24.64772 -24.64482 -24.63770 -19.16860 -19.13850 -19.12959 -19.12918 -19.12784 -19.12392 -19.12284 -19.12279 -19.12257 -19.12218 -19.12217 -19.12132 -19.12043 -19.11981 -19.11611 -6.85436 -1.19825 -1.15472 -1.15332 -1.07292 -1.03009 -1.02742 -1.02205 -1.02145 -1.01933 -1.01646 -1.01361 -1.00802 -1.00780 -1.00468 -1.00296 -0.99659 -0.99572 -0.99382 -0.57734 -0.57294 -0.56543 -0.54766 -0.54455 -0.54102 -0.53918 -0.53821 -0.53417 -0.53401 -0.53181 -0.53006 -0.52974 -0.52877 -0.52805 -0.52481 -0.51750 -0.50118 -0.49361 -0.44616 -0.44360 -0.44197 -0.43210 -0.42726 -0.42181 -0.41847 -0.41656 -0.41360 -0.40540 -0.40011 -0.39665 -0.39427 -0.39038 -0.38526 -0.38391 -0.38148 -0.37726 -0.37227 -0.36860 -0.35679 -0.33776 -0.33385 -0.33068 -0.32894 -0.32769 -0.32624 -0.32554 -0.32383 -0.32237 -0.32205 -0.32139 -0.32046 -0.31907 -0.31651 -0.00621 0.01678 0.02119 0.02333 0.04819 0.04991 0.05591 0.06327 0.06421 0.08429 0.08716 0.09398 0.10153 0.10430 0.10874 0.11371 0.11827 0.12389 0.12555 0.12840 0.13310 0.13450 0.14326 0.14679 0.14747 0.15434 0.15910 0.16228 0.16640 0.17112 0.17260 0.17553 0.17886 0.18027 0.18487 0.18929 0.19104 0.19847 0.20306 0.20691 0.21060 0.21112 0.21608 0.21808 0.22279 0.22459 0.22787 0.22901 0.23286 0.23634 0.24238 0.24285 0.24879 0.25037 0.25337 0.25722 0.26010 0.26297 0.26577 0.26917 0.27276 0.27606 0.28058 0.28256 0.28462 0.28643 0.28789 0.29122 0.29335 0.29714 0.29973 0.30653 0.30826 0.30930 0.31187 0.31395 0.31615 0.32003 0.32789 0.33349 0.33868 0.34114 0.34567 0.35799 0.36128 0.36501 0.37266 0.38254 0.38994 0.39473 0.40535 0.41467 0.42304 0.42740 0.44418 0.44504 0.44746 0.46640 0.47762 0.48527 0.48827 0.49618 0.49948 0.50400 0.50974 0.51993 0.52630 0.53166 0.53398 0.54605 0.54931 0.55426 0.56101 0.56635 0.57307 0.58136 0.58411 0.59100 0.59604 0.60116 0.60448 0.60910 0.61496 0.62036 0.62247 0.63400 0.63861 0.64225 0.64940 0.65579 0.66074 0.66790 0.67048 0.67474 0.67942 0.69147 0.69403 0.70200 0.71176 0.71548 0.72312 0.74439 0.76959 0.80454 0.95639 0.95987 0.96515 0.97221 0.97684 0.98945 0.99524 0.99821 1.00007 1.00639 1.00922 1.01660 1.01733 1.02452 1.02510 1.03064 1.03869 1.04626 1.04751 1.05646 1.05868 1.06238 1.06436 1.06992 1.07788 1.08427 1.08576 1.09454 1.09943 1.10275 1.10669 1.11043 1.11593 1.12444 1.12739 1.13439 1.14329 1.14414 1.14787 1.15534 1.16324 1.17180 1.17590 1.19462 1.19910 1.20748 1.21557 1.23585 1.25341 1.25934 1.26636 1.27015 1.28093 1.28455 1.29154 1.30382 1.30906 1.31714 1.32075 1.32355 1.33368 1.33546 1.33854 1.34389 1.35528 1.36154 1.36202 1.36919 1.37775 1.38338 1.38916 1.39501 1.39991 1.40239 1.41618 1.42250 1.43054 1.43195 1.43936 1.44664 1.45900 1.45960 1.46593 1.46720 1.48003 1.48357 1.48816 1.50433 1.51827 1.52490 1.53290 1.53655 1.54975 1.55603 1.56952 1.57211 1.57790 1.58562 1.59251 1.59702 1.60263 1.61799 1.62042 1.62131 1.63147 1.64179 1.65255 1.66175 1.67330 1.68185 1.69275 1.69677 1.70188 1.70803 1.72783 1.74219 1.74784 1.75294 1.76812 1.77140 1.77923 1.79047 1.79365 1.80870 1.81953 1.82187 1.82656 1.83445 1.84042 1.86085 1.87268 1.88006 1.93787 2.01093 2.02325 2.03260 2.03819 2.04283 2.05217 2.05301 2.06747 2.11494 2.15409 2.18254 2.19493 2.20740 2.22063 2.24117 2.26621 2.26672 2.27748 2.29260 2.30585 2.31143 2.33295 2.33460 2.35221 2.35591 2.36693 2.37366 2.38479 2.39529 2.40384 2.43565 2.43752 2.46566 2.47884 2.51007 2.55063 2.57061 2.57207 2.58078 2.58315 2.61095 2.61862 2.62864 2.68675 2.69838 2.70789 2.71758 2.72034 2.73509 2.74276 2.75176 2.75542 2.76244 2.76484 2.77477 2.78704 2.79918 2.81632 2.83170 2.83783 2.84658 2.86638 2.87141 2.88118 2.90574 2.91246 2.94738 3.06784 3.07623 3.08002 3.08454 3.09167 3.09915 3.10207 3.11062 3.11199 3.11472 3.11699 3.12497 3.12949 3.13285 3.13900 3.14346 3.15036 3.15354 3.15813 3.16240 3.16980 3.17744 3.17796 3.18583 3.18672 3.19152 3.20083 3.23110 3.24201 3.28775 3.29161 3.29859 3.30263 3.30768 3.31101 3.31436 3.31895 3.32677 3.33891 3.34579 3.35536 3.36465 3.36789 3.39015 3.54232 3.55510 3.67725 3.68278 3.68769 3.69803 3.70674 3.71878 3.72982 3.73473 3.74488 3.75264 3.76362 3.78294 3.79042 3.79636 3.80739 3.82618 3.84124 3.85449 3.86709 3.87818 3.88991 3.89968 3.90816 3.91342 3.91669 3.92156 3.93029 3.93239 3.94280 3.94418 3.94950 3.95213 3.95973 3.96399 3.96524 3.97603 3.98600 4.00765 4.10224 4.21978 4.24597 4.37269 4.65461 4.70908 4.99775 4.99946 5.00596 5.01617 5.02102 5.02768 5.03533 5.04906 5.05906 5.06796 5.07926 5.11945 5.15684 5.17290 5.24839 5.34960 5.39013 5.39622 5.40101 5.41102 5.41907 5.43328 5.45027 5.45921 5.46750 5.48358 5.49569 5.52070 5.54500 5.59895 5.65664 5.66573 5.66795 5.67908 5.68122 5.68398 5.69703 5.69892 5.71271 5.71783 5.75040 5.75394 5.76379 5.79032 5.81776 6.37431 6.42186 6.42365 6.47095 6.52272 6.55866 6.59356 6.68003 6.69370 14.58105 49.88042 49.88835 49.90202 49.90640 49.91583 49.92749 49.93564 49.93825 49.93997 49.94787 49.95884 49.96671 49.97204 49.98286 49.99514 66.85771 66.86719 66.88654 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 0.841186 -0.435627 -0.424991 -0.362529 -0.780176 0.337112 0.316468 -0.771334 0.381919 -0.745020 0.518412 0.399562 0.508662 -0.792623 0.438998 -0.734600 0.427611 -0.806496 0.434499 0.403864 -0.790527 0.356790 0.423684 -0.809163 0.417360 0.422338 -0.747649 0.320428 0.407748 -0.744581 0.425553 0.311857 -0.771593 0.420191 0.350736 -0.719733 0.308576 0.405579 -0.693389 0.372240 0.305772 -0.858901 0.484433 0.379249 -0.694150 0.309175 0.352876 0.386876 0.513326 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 8 10 14 16 18 21 24 27 30 33 36 39 42 45 B F F F O O O O O O O O O O O O O O O 0.841186 -0.435627 -0.424991 -0.362529 -0.427301 0.010147 0.795380 -0.016513 0.009479 0.031867 -0.010053 0.030535 -0.019472 -0.007171 -0.000665 -0.005578 -0.015376 0.004782 0.001901 0.00000 1.95984095e-01 -1.38134186e+00 1.93937868e+00 1.91586883e+02 1.74502874e-01 1.86421559e+02 -5.52118842e-01 -5.70973894e-02 1.80160834e+02 -14.1913 -6.8055 -5.4732 -0.0002 0.0006 0.0011 24.9655 29.5584 31.3685 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 24.5097 29.3426 31.2732 35.1551 38.3748 43.8057 49.5001 54.5038 57.9941 60.7393 61.4113 66.1604 68.9401 75.3060 81.1750 91.3081 94.0823 96.3165 110.8981 126.5339 137.4888 138.6147 142.2121 161.5502 173.1097 177.3349 181.3629 195.3806 196.9479 206.7856 211.2502 212.9164 221.2811 229.5391 235.7735 242.1682 247.6120 258.6165 268.0618 275.5404 276.9414 282.0949 287.9949 291.1569 297.8352 308.0421 323.8204 331.2202 343.4905 360.5091 382.6880 393.0341 410.5298 416.9906 427.0776 436.2575 451.8042 456.0289 478.4904 485.2691 496.0201 502.7701 518.2242 521.1781 550.8316 560.4634 578.0188 605.0651 624.0206 627.9711 640.5561 665.7414 675.0529 680.4365 690.9152 703.7431 709.8649 723.8701 741.0653 759.7014 788.3000 795.8438 818.4411 845.9015 847.6803 853.0822 865.1355 895.9388 901.4790 927.1264 935.5469 953.2940 991.4971 1036.5540 1138.6242 1308.1133 1600.4228 1604.5765 1606.4765 1609.7425 1617.7797 1623.5659 1634.8055 1637.4248 1649.3731 1654.1640 1654.8378 1657.3611 1659.9390 1709.9128 1767.3486 2267.4266 2560.8915 2936.2262 3207.9574 3285.7710 3304.9593 3310.5524 3317.7212 3330.9981 3364.7470 3387.4439 3398.4657 3433.1606 3435.8683 3481.0840 3484.3944 3504.7208 3513.0200 3532.2478 3566.1342 3659.9412 3711.0390 3745.9202 3825.1447 3826.2390 3826.8896 3827.6486 3828.7295 3830.3235 3833.2231 5.9873 5.8877 5.6937 7.7115 5.7255 6.2442 6.6602 6.7366 7.0787 7.5590 6.5860 7.2989 8.1067 7.1437 7.6988 7.6851 6.4504 6.8440 6.6056 6.8117 5.8341 6.4866 6.4419 6.4428 3.6275 4.3986 6.1864 4.1205 5.0147 5.3653 5.4597 5.4589 5.7884 5.0872 4.4677 1.6941 1.1467 3.4857 4.8487 1.3093 1.9056 2.1631 3.7347 1.5474 2.5300 3.7038 1.2579 1.6045 5.0851 7.0114 2.5996 1.0844 1.0889 1.0708 1.0974 1.1114 1.0811 1.0855 1.2430 3.2834 2.9959 3.9253 1.3746 1.1283 1.0645 1.0913 1.1126 1.0408 1.0652 1.0414 1.0439 1.0558 1.0546 1.0576 1.0843 1.0470 1.0740 1.0773 5.1190 1.0891 1.0781 1.0512 1.0416 1.0390 1.0638 1.0537 1.0418 5.8496 1.0646 2.6581 1.0532 1.0456 1.0437 7.1274 2.0199 1.0991 1.0793 1.0763 1.0752 1.0767 1.0727 1.0702 1.0687 1.0685 1.0727 1.0710 1.0702 1.0648 1.0703 1.0306 1.0388 1.1332 1.0859 1.0615 1.0679 1.0669 1.0661 1.0658 1.0676 1.0636 1.0668 1.0646 1.0643 1.0659 1.0656 1.0636 1.0762 1.0643 1.0600 1.0650 1.0733 1.0660 1.0672 1.0669 1.0664 1.0664 1.0665 1.0668 1.0670 1.0660 1.0670 0.0021 0.0030 0.0033 0.0056 0.0050 0.0071 0.0096 0.0118 0.0140 0.0164 0.0146 0.0188 0.0227 0.0239 0.0299 0.0378 0.0336 0.0374 0.0479 0.0643 0.0650 0.0734 0.0768 0.0991 0.0640 0.0815 0.1199 0.0927 0.1146 0.1352 0.1436 0.1458 0.1670 0.1579 0.1463 0.0585 0.0414 0.1374 0.2053 0.0586 0.0861 0.1014 0.1825 0.0773 0.1322 0.2071 0.0777 0.1037 0.3535 0.5369 0.2243 0.0987 0.1081 0.1097 0.1179 0.1246 0.1300 0.1330 0.1677 0.4556 0.4343 0.5846 0.2175 0.1806 0.1903 0.2020 0.2190 0.2245 0.2444 0.2420 0.2524 0.2757 0.2832 0.2885 0.3050 0.3055 0.3189 0.3326 1.6563 0.3704 0.3947 0.3923 0.4111 0.4380 0.4504 0.4518 0.4594 2.7665 0.5097 1.3461 0.5431 0.5598 0.6045 4.5120 1.5429 1.1081 1.6288 1.6326 1.6349 1.6439 1.6542 1.6622 1.6828 1.6879 1.7194 1.7267 1.7267 1.7233 1.7376 1.7753 1.9117 3.4326 4.1960 5.3918 6.4753 6.7868 6.8609 6.8824 6.9234 6.9531 7.1163 7.1973 7.2422 7.4019 7.4120 7.5935 7.6986 7.7020 7.7077 7.8290 8.0423 8.4130 8.6591 8.8201 9.1934 9.1983 9.2020 9.2087 9.2160 9.2142 9.2377 0.9983 1.8040 4.0426 3.0294 3.4400 2.2841 1.2404 0.2302 1.3210 7.2164 0.9246 6.0734 0.8599 1.7863 1.6303 7.4401 9.9828 0.9019 7.3783 4.4747 8.5960 3.7466 5.2358 11.1237 18.0574 41.7683 2.9933 67.5897 78.7028 53.8787 34.3280 56.9777 160.3241 18.6814 102.6387 226.8320 138.7119 50.7964 11.7707 261.4681 19.7122 47.6841 29.1141 192.1725 43.4966 96.1268 275.7494 231.8321 141.9691 9.6666 70.2640 69.3443 41.9419 185.4948 88.5005 166.3777 37.4027 145.9351 103.6321 76.7801 45.1853 27.1758 1.2612 91.6856 116.0276 42.1382 21.2185 8.2391 117.5613 71.8493 45.4815 93.0977 270.5062 134.6723 229.0551 395.0298 205.9485 403.9151 95.2034 65.4234 589.4646 64.3568 279.8237 312.0610 67.1246 284.1209 115.2530 451.9486 280.5598 432.9666 273.7748 93.2244 164.7176 845.5899 281.2893 459.3911 224.3523 96.1784 114.7432 204.9702 115.2878 125.9240 208.7715 16.0586 82.0813 116.1186 178.7285 18.4493 107.9830 19.3092 58.7898 3770.2217 3024.6780 1879.2123 1904.8130 1313.8592 1231.4016 1219.0257 1048.3127 2160.2147 2072.1569 809.4527 396.8773 1622.5183 429.4284 1046.2747 736.2822 66.2252 622.2173 1153.5038 912.7936 618.7918 354.7440 419.7098 136.4939 126.5434 166.0951 123.8073 77.0348 117.0445 128.4214 -0.02 0.03 -0.06 -0.05 0.02 -0.05 0.01 0.07 -0.03 -0.06 0.03 -0.05 0.01 -0.01 -0.10 -0.09 -0.06 -0.14 0.08 0.03 0.01 -0.02 -0.11 0.05 -0.02 -0.10 0.08 -0.03 -0.04 0.04 -0.05 -0.04 -0.01 -0.01 -0.08 0.04 0.02 -0.01 0.04 -0.03 -0.03 -0.10 -0.03 -0.06 -0.04 0.07 0.02 0.02 0.07 0.03 -0.01 0.03 -0.02 -0.11 0.04 -0.01 -0.12 0.01 -0.03 -0.12 0.00 -0.01 0.01 0.02 0.02 -0.01 0.02 0.01 -0.03 -0.05 -0.05 -0.08 -0.05 -0.04 -0.09 -0.02 -0.02 -0.10 0.08 0.04 0.36 -0.03 -0.10 0.50 0.05 0.01 0.15 0.04 0.01 0.15 0.06 0.03 0.23 0.07 0.12 0.15 -0.04 -0.08 0.13 -0.03 -0.04 0.12 -0.05 -0.08 0.15 0.06 0.03 -0.08 0.03 0.02 -0.09 0.04 0.03 -0.10 0.06 0.06 -0.08 0.05 0.03 -0.10 0.06 0.07 -0.06 -0.01 0.01 -0.11 0.01 0.01 -0.05 -0.02 -0.02 -0.11 -0.04 0.02 0.09 -0.04 0.04 0.08 0.03 -0.00 -0.11 -0.03 0.01 0.06 -0.03 -0.05 0.08 -0.04 0.05 -0.03 -0.06 0.03 -0.07 -0.01 0.06 0.00 -0.06 0.10 -0.03 -0.02 0.03 -0.03 -0.12 0.07 -0.01 -0.01 0.05 -0.05 -0.05 -0.03 0.07 -0.02 -0.03 0.04 0.04 0.06 -0.05 0.01 0.08 -0.03 -0.05 -0.07 0.09 0.04 0.05 -0.05 -0.08 0.07 -0.00 -0.07 0.03 0.03 0.00 0.05 -0.05 0.01 0.02 -0.01 0.04 0.05 -0.03 -0.00 0.05 -0.02 0.02 0.04 -0.03 -0.04 -0.14 0.12 -0.05 -0.15 0.13 -0.02 -0.10 0.06 -0.01 0.11 -0.01 -0.03 0.10 0.01 -0.01 0.10 -0.01 0.11 -0.12 -0.21 0.11 0.03 -0.33 0.10 -0.06 -0.14 0.14 -0.10 0.25 0.13 -0.11 0.09 0.31 -0.15 0.32 0.00 -0.05 -0.01 -0.00 -0.09 -0.00 0.03 -0.07 -0.03 0.02 0.01 0.05 0.05 0.00 0.06 0.00 0.00 0.04 0.02 0.02 -0.02 0.01 0.04 -0.03 0.05 0.04 -0.01 -0.01 -0.01 0.01 0.05 -0.05 0.09 -0.01 -0.01 0.00 -0.02 -0.17 0.04 -0.03 -0.19 0.04 -0.01 0.01 -0.03 -0.02 -0.15 0.07 0.03 0.02 -0.05 0.01 -0.07 0.02 0.03 -0.06 0.04 0.00 -0.07 0.00 0.02 -0.10 0.02 -0.00 -0.05 0.01 -0.04 -0.05 -0.04 0.07 -0.04 0.03 -0.08 -0.00 -0.05 -0.07 0.01 -0.01 -0.02 0.01 0.05 -0.00 -0.00 0.04 -0.04 0.04 -0.06 0.00 -0.00 0.04 -0.05 -0.06 -0.05 -0.06 -0.04 -0.06 0.06 -0.02 0.00 0.05 0.01 -0.04 -0.02 -0.09 -0.05 -0.04 -0.09 -0.04 -0.00 -0.08 -0.05 0.03 0.16 -0.07 0.04 0.18 -0.04 0.03 0.10 -0.03 -0.00 -0.01 0.01 -0.01 -0.02 -0.00 0.01 0.02 -0.00 -0.09 -0.00 -0.19 -0.16 0.15 -0.29 -0.07 -0.04 -0.14 0.02 0.08 0.31 -0.01 0.05 0.14 0.25 0.07 0.41 -0.01 0.04 0.07 -0.00 0.09 0.05 -0.02 0.02 0.11 0.03 0.03 -0.15 -0.04 0.07 -0.20 0.02 0.03 -0.10 0.04 -0.02 0.02 0.03 -0.05 0.00 0.01 -0.03 0.00 0.02 0.04 0.00 0.02 0.04 0.09 0.00 -0.02 0.01 -0.00 0.17 0.01 0.00 0.19 0.00 -0.00 -0.04 0.01 0.00 0.16 -0.03 -0.01 0.03 0.07 0.13 0.04 0.06 0.23 0.10 0.15 0.10 0.01 0.03 0.13 -0.08 0.07 0.07 0.13 -0.01 -0.04 -0.05 -0.09 -0.16 0.02 0.02 -0.12 0.07 -0.10 -0.11 0.06 -0.13 -0.05 0.00 -0.04 -0.03 -0.01 -0.01 -0.10 0.04 -0.07 -0.12 0.01 -0.02 -0.07 -0.04 -0.09 -0.08 0.00 -0.09 -0.19 -0.00 0.02 -0.19 -0.03 0.01 -0.05 0.01 -0.11 -0.04 -0.01 -0.10 -0.03 0.03 -0.09 -0.07 -0.10 0.01 -0.10 -0.15 0.08 -0.06 -0.08 -0.01 -0.02 -0.00 0.00 -0.04 -0.02 -0.01 -0.02 0.01 -0.00 0.02 -0.02 0.14 -0.06 -0.07 0.20 -0.01 -0.01 0.02 0.06 0.00 0.14 0.04 -0.01 0.15 0.12 0.07 0.16 -0.03 0.06 -0.15 -0.00 0.01 -0.11 -0.02 0.05 -0.14 -0.19 -0.05 -0.02 -0.21 -0.06 -0.02 -0.13 -0.04 -0.02 -0.04 -0.05 -0.07 -0.05 -0.03 -0.09 0.01 -0.04 -0.05 0.01 0.02 -0.01 0.05 -0.01 0.01 0.03 0.05 -0.01 0.11 -0.09 -0.03 0.14 -0.09 -0.06 0.08 0.19 -0.02 0.06 -0.09 0.01 -0.06 0.03 -0.10 0.02 -0.07 -0.03 0.02 -0.05 0.01 0.02 -0.05 -0.04 0.01 -0.10 -0.02 0.01 -0.06 -0.06 -0.12 0.02 -0.05 -0.03 -0.04 -0.02 -0.13 0.05 -0.00 -0.10 0.05 -0.01 0.02 0.02 -0.03 0.00 0.03 -0.05 -0.09 0.05 0.03 0.05 0.03 -0.03 -0.11 0.01 -0.06 -0.12 0.03 -0.04 0.03 0.01 -0.03 0.04 0.02 0.07 -0.00 -0.06 -0.06 -0.04 -0.04 -0.06 -0.00 -0.08 -0.07 0.01 0.10 0.06 0.01 0.10 0.11 0.03 0.06 0.06 -0.04 0.05 -0.09 -0.07 0.04 -0.07 -0.03 0.06 -0.10 -0.01 -0.03 0.03 -0.04 -0.05 0.06 -0.01 -0.05 -0.01 0.01 -0.00 -0.02 0.01 -0.01 0.00 0.03 0.03 -0.01 0.02 0.04 -0.02 0.02 0.04 -0.02 0.02 0.03 -0.01 0.05 0.07 0.42 0.32 -0.07 0.57 0.04 0.05 0.21 0.06 -0.00 0.06 0.05 -0.02 0.02 0.05 -0.02 0.03 -0.01 0.01 -0.11 0.00 0.00 -0.08 -0.01 -0.00 -0.10 0.01 0.06 -0.03 0.02 0.04 -0.03 0.03 -0.04 -0.06 0.01 0.06 -0.01 0.02 0.02 -0.01 -0.03 0.01 -0.04 -0.05 0.00 -0.04 -0.01 0.02 -0.02 -0.04 0.01 -0.03 -0.01 -0.01 -0.05 0.14 -0.10 -0.09 -0.11 -0.04 -0.01 0.09 0.08 0.11 0.05 0.06 0.05 -0.03 -0.09 -0.02 0.01 -0.11 -0.02 0.13 0.05 0.15 -0.07 -0.08 -0.01 0.14 -0.09 -0.07 0.12 -0.03 -0.01 -0.10 -0.06 0.02 -0.10 -0.03 0.02 0.03 -0.02 -0.08 0.06 -0.04 -0.08 0.04 -0.01 -0.07 0.12 -0.04 0.19 0.12 -0.04 0.17 0.12 -0.01 0.17 0.05 -0.15 -0.03 0.07 -0.14 -0.07 0.04 -0.12 -0.03 -0.10 0.18 -0.07 -0.15 0.21 -0.08 -0.07 0.11 -0.07 -0.11 0.16 0.10 -0.10 0.16 0.05 0.00 0.18 0.15 -0.01 0.01 -0.08 -0.02 -0.04 -0.07 -0.02 0.05 -0.14 -0.11 -0.01 0.05 -0.08 -0.04 0.07 -0.06 -0.00 0.02 0.14 0.08 0.10 0.10 0.04 0.03 0.15 0.07 0.10 0.01 0.03 -0.02 -0.03 0.07 -0.00 -0.02 -0.00 -0.04 -0.01 -0.12 -0.02 -0.01 -0.20 0.00 0.00 -0.02 -0.05 0.04 -0.08 0.05 -0.02 -0.05 -0.05 0.08 0.02 -0.06 0.10 -0.01 -0.13 0.10 -0.02 -0.01 0.04 0.08 -0.06 0.07 0.02 -0.05 0.06 0.05 0.05 -0.12 -0.08 -0.14 0.15 -0.10 0.03 0.11 -0.09 0.09 -0.07 0.03 -0.09 -0.05 0.02 -0.06 0.08 -0.06 -0.03 -0.05 -0.03 -0.12 0.09 0.04 0.05 0.10 -0.01 0.05 -0.11 -0.08 -0.13 -0.10 -0.10 -0.07 -0.08 0.08 0.07 -0.03 0.08 0.06 -0.02 0.08 0.05 -0.06 -0.01 -0.12 -0.05 0.00 -0.19 -0.08 -0.01 -0.09 0.01 -0.01 -0.04 0.05 0.02 -0.01 0.03 -0.05 -0.04 -0.07 0.04 -0.04 -0.05 0.10 -0.09 -0.07 0.07 0.01 -0.05 0.05 0.11 -0.07 0.03 0.06 0.07 0.09 0.16 -0.06 -0.03 0.18 -0.01 0.01 0.18 -0.10 -0.02 0.22 -0.09 -0.09 0.17 0.08 -0.15 0.26 -0.04 -0.08 0.09 -0.13 -0.05 -0.03 -0.11 -0.02 0.01 -0.12 -0.04 -0.02 0.04 -0.05 -0.04 0.03 -0.04 -0.02 0.03 -0.05 -0.05 0.03 0.09 0.17 0.06 0.18 0.12 0.10 -0.03 -0.05 -0.02 0.05 0.08 -0.05 0.03 -0.02 -0.02 -0.04 0.08 -0.03 -0.06 0.04 -0.01 -0.05 0.09 -0.02 0.00 0.07 -0.01 -0.05 0.11 -0.09 0.08 -0.02 -0.14 -0.03 -0.06 0.02 -0.17 -0.11 0.01 -0.17 -0.08 -0.05 0.08 -0.07 -0.07 0.10 -0.01 0.05 -0.14 -0.11 -0.07 0.04 -0.08 -0.07 0.08 -0.01 -0.04 -0.02 -0.05 -0.11 0.01 -0.08 -0.11 0.04 -0.04 0.19 -0.07 -0.01 0.12 -0.05 -0.00 0.15 -0.08 -0.01 0.18 -0.06 -0.10 0.20 -0.03 -0.09 0.20 -0.07 -0.11 -0.06 0.11 0.04 -0.05 0.11 0.03 -0.06 0.11 0.05 0.08 0.13 -0.02 0.06 0.11 0.01 0.12 0.06 -0.01 0.02 0.09 -0.06 0.06 0.11 -0.04 -0.02 0.05 -0.07 -0.10 -0.11 0.03 -0.08 -0.08 0.03 -0.08 -0.15 0.08 -0.14 0.10 0.04 -0.08 0.09 0.06 -0.10 0.10 0.03 0.17 -0.07 -0.08 0.19 -0.07 -0.04 0.15 -0.06 -0.06 -0.03 0.12 0.02 -0.03 0.12 0.02 -0.00 0.09 0.06 -0.02 -0.02 0.02 -0.02 -0.06 0.03 -0.02 -0.07 0.11 0.06 -0.01 -0.01 -0.07 0.03 -0.06 0.01 0.04 -0.03 0.13 0.08 -0.02 -0.04 -0.06 -0.04 0.03 -0.00 -0.03 -0.07 0.15 -0.03 -0.07 -0.00 0.03 0.01 0.03 -0.03 0.02 -0.18 -0.01 0.00 -0.18 -0.02 -0.00 -0.08 -0.04 -0.05 -0.04 -0.03 0.09 -0.15 0.02 0.01 -0.05 -0.03 -0.05 0.02 0.05 -0.02 -0.07 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 -0.11 0.14 0.04 -0.13 0.13 0.04 -0.11 0.13 0.03 0.25 0.11 -0.01 0.22 0.06 -0.05 0.16 0.09 0.09 -0.07 -0.01 -0.01 -0.07 -0.00 0.00 -0.07 -0.01 -0.01 0.01 -0.08 0.02 0.04 -0.07 0.01 -0.03 -0.00 0.02 0.00 -0.08 0.04 -0.00 -0.09 0.03 0.02 -0.08 0.05 -0.04 -0.20 -0.04 -0.04 -0.13 -0.06 -0.04 -0.22 0.00 -0.01 0.02 -0.02 -0.02 0.05 -0.03 -0.06 0.02 -0.00 0.01 0.12 0.28 -0.02 0.14 0.24 0.01 0.08 0.21 -0.09 0.00 0.00 -0.05 -0.03 -0.00 -0.07 0.05 -0.00 0.03 0.03 -0.14 0.02 -0.04 -0.12 -0.07 0.16 -0.03 0.12 0.06 -0.13 -0.02 -0.13 -0.05 0.05 0.04 0.02 -0.17 -0.01 0.01 0.13 0.22 0.02 0.02 0.10 0.02 0.19 -0.14 0.01 -0.09 0.01 0.22 -0.02 0.04 0.03 -0.13 -0.06 -0.13 -0.10 -0.06 -0.14 0.03 -0.05 -0.01 0.00 -0.04 -0.02 -0.09 -0.07 -0.11 0.02 -0.01 0.01 -0.14 -0.03 0.18 -0.12 -0.05 0.08 -0.02 0.02 0.05 -0.01 -0.01 0.05 0.00 -0.05 0.15 -0.06 -0.05 0.17 0.06 -0.04 0.13 0.07 -0.00 -0.05 0.03 -0.08 -0.00 0.05 0.02 -0.05 -0.06 0.01 -0.04 -0.09 -0.01 0.05 0.00 -0.02 -0.08 -0.09 0.05 0.01 -0.08 0.08 -0.02 -0.07 0.02 0.06 -0.07 0.06 0.06 -0.09 0.05 0.05 0.03 0.13 0.10 0.03 -0.06 -0.10 0.06 -0.04 -0.10 0.04 -0.09 -0.05 0.01 -0.11 -0.01 -0.01 -0.19 0.01 0.06 -0.11 -0.07 -0.03 0.10 0.02 0.01 0.06 0.07 -0.07 0.12 0.06 0.08 -0.10 -0.11 0.04 -0.05 -0.08 0.09 -0.15 -0.08 0.10 -0.01 -0.09 0.08 -0.03 -0.07 0.22 -0.18 0.01 0.12 -0.00 -0.08 0.02 -0.07 -0.05 -0.01 0.05 0.00 0.01 0.00 -0.11 0.02 -0.01 0.08 -0.05 0.15 0.00 -0.01 0.04 0.03 -0.09 -0.07 -0.19 -0.01 -0.01 -0.09 -0.11 -0.04 -0.06 -0.07 -0.03 -0.03 0.09 0.11 -0.06 0.12 0.11 0.02 -0.03 -0.01 -0.02 0.06 0.03 -0.08 -0.08 -0.06 -0.18 -0.08 -0.06 -0.16 -0.02 -0.04 -0.08 -0.01 -0.09 -0.05 -0.08 -0.11 -0.15 -0.08 -0.11 -0.15 -0.06 -0.09 -0.14 0.09 0.02 0.03 0.07 0.00 0.06 0.07 0.02 0.05 0.13 0.11 0.13 0.10 0.08 0.09 0.07 0.08 0.18 -0.11 -0.03 0.06 -0.17 -0.11 0.14 -0.12 -0.06 -0.04 -0.09 -0.02 -0.06 -0.11 -0.03 -0.01 -0.20 -0.04 -0.10 0.07 0.02 0.05 0.09 0.03 0.05 0.09 -0.02 0.10 0.02 -0.15 -0.00 0.00 -0.09 -0.03 0.05 -0.15 0.08 0.05 0.05 0.06 0.02 -0.02 -0.01 0.04 0.07 0.09 0.07 -0.11 0.20 0.02 -0.08 0.13 0.04 -0.07 0.17 0.03 0.03 0.05 0.01 0.02 0.07 -0.06 0.08 0.04 0.06 0.03 0.04 0.09 0.10 -0.04 -0.02 0.01 0.11 0.00 0.01 0.10 0.05 0.04 0.19 -0.12 0.01 0.13 0.01 -0.01 -0.00 0.14 0.14 -0.12 0.09 0.13 0.01 0.17 0.05 -0.11 0.15 0.05 -0.10 -0.04 0.04 -0.01 -0.05 0.04 -0.09 0.18 0.05 -0.11 0.01 0.10 -0.00 0.13 0.11 -0.15 0.13 0.10 -0.17 0.06 0.14 -0.01 0.07 0.10 -0.01 -0.10 -0.06 -0.03 -0.04 -0.02 -0.06 -0.07 -0.07 -0.06 0.14 -0.10 -0.07 0.13 -0.12 -0.12 0.09 -0.10 -0.01 -0.05 0.00 -0.16 0.00 0.04 -0.18 -0.06 -0.01 -0.14 -0.09 -0.09 -0.01 -0.09 -0.07 -0.03 -0.10 -0.07 -0.01 -0.10 -0.10 0.06 -0.10 -0.09 0.03 -0.02 -0.06 0.09 -0.02 0.09 -0.02 -0.01 0.05 -0.00 -0.03 0.11 -0.05 0.11 0.02 0.01 0.12 -0.01 0.02 0.04 0.00 -0.05 -0.03 -0.04 0.07 -0.04 -0.06 0.05 -0.02 -0.02 0.10 -0.12 -0.07 -0.13 -0.10 -0.08 -0.08 -0.10 -0.09 -0.10 -0.02 -0.04 0.06 -0.03 -0.09 0.08 0.10 -0.00 -0.03 0.05 -0.03 0.04 -0.04 0.04 -0.00 0.01 0.07 0.05 0.04 -0.01 -0.17 0.01 -0.07 0.15 -0.01 0.29 0.04 -0.00 0.07 0.18 0.06 -0.19 0.08 0.03 -0.02 -0.12 -0.11 0.06 -0.07 -0.10 0.07 -0.07 -0.04 -0.18 -0.08 -0.02 -0.19 -0.09 -0.09 0.07 -0.06 -0.02 -0.16 -0.08 -0.00 -0.20 0.06 -0.03 -0.09 0.03 0.07 -0.05 -0.08 0.06 0.02 -0.08 0.04 -0.03 0.01 0.04 -0.11 0.05 0.05 0.03 0.08 -0.05 0.03 -0.02 -0.05 0.03 0.05 -0.03 -0.01 -0.02 -0.02 -0.20 -0.05 -0.06 -0.22 -0.07 -0.07 -0.15 -0.03 0.05 -0.03 0.02 0.04 -0.03 0.02 0.05 -0.03 -0.00 0.02 -0.04 0.03 0.05 -0.03 0.03 0.04 -0.05 0.04 0.03 0.06 -0.05 0.07 0.07 -0.03 -0.02 0.10 -0.03 0.03 0.17 0.04 0.13 0.21 0.07 -0.05 0.16 0.03 0.00 -0.09 -0.02 0.00 -0.08 -0.01 -0.00 -0.08 0.00 -0.14 0.10 -0.01 -0.09 0.05 -0.01 -0.08 0.11 0.04 0.06 0.04 -0.01 0.04 0.06 0.00 -0.00 -0.03 0.19 0.03 0.03 -0.01 -0.02 -0.12 -0.06 -0.01 -0.01 0.01 -0.13 -0.03 0.02 -0.00 0.07 -0.04 0.05 0.01 -0.01 0.05 -0.09 0.06 0.03 -0.02 -0.02 -0.14 -0.02 -0.01 0.05 -0.04 0.03 0.04 -0.04 0.04 0.03 0.04 -0.04 0.07 0.01 -0.03 0.07 -0.02 0.02 -0.01 0.02 -0.03 0.06 -0.07 -0.06 0.05 -0.07 -0.05 -0.09 0.01 -0.02 -0.10 0.09 0.00 -0.15 -0.13 0.02 -0.10 -0.13 0.01 -0.12 -0.12 0.02 0.03 -0.02 0.01 0.00 -0.05 -0.04 -0.03 0.02 0.05 0.11 -0.01 -0.05 0.10 -0.03 -0.09 0.09 0.04 -0.05 -0.08 -0.25 0.03 -0.12 -0.20 0.00 -0.09 -0.24 0.02 0.25 0.06 -0.08 0.13 -0.03 -0.05 0.14 0.06 -0.13 0.02 -0.00 0.05 0.04 -0.01 0.06 0.03 -0.02 0.07 -0.16 0.17 -0.03 -0.16 0.14 -0.02 -0.11 0.18 -0.03 -0.09 0.09 0.10 -0.10 0.01 0.07 -0.13 0.10 0.13 0.06 0.19 -0.05 0.12 0.14 -0.02 0.09 0.18 -0.02 0.03 0.00 0.05 0.02 0.03 0.06 -0.02 -0.05 0.07 0.03 -0.01 0.03 0.04 0.06 -0.04 0.02 0.01 0.07 -0.05 0.01 0.12 -0.08 0.02 -0.10 0.22 -0.02 0.02 -0.00 0.01 0.20 -0.08 0.05 0.01 -0.04 0.10 -0.08 0.04 -0.06 0.17 0.03 -0.06 0.16 0.06 0.02 -0.17 0.05 0.02 -0.19 -0.01 -0.06 0.14 0.06 0.06 -0.15 0.02 -0.01 -0.02 0.01 -0.03 0.06 -0.03 0.12 -0.09 -0.01 0.07 -0.04 0.05 -0.09 -0.01 0.07 -0.12 -0.00 0.04 -0.06 0.04 -0.10 0.05 0.06 -0.09 0.07 0.03 -0.07 0.09 -0.01 0.06 0.03 -0.16 0.04 0.02 -0.16 -0.04 -0.00 -0.09 -0.03 0.02 -0.01 -0.03 -0.00 0.01 -0.02 -0.01 -0.00 -0.20 -0.11 0.04 -0.13 -0.06 0.03 -0.16 -0.13 0.06 0.06 -0.09 0.06 0.09 -0.06 0.06 0.03 -0.08 0.09 0.01 -0.00 -0.03 -0.02 0.03 -0.05 -0.05 -0.01 -0.01 0.03 0.12 -0.12 0.05 0.04 -0.12 -0.01 0.15 -0.07 -0.19 -0.06 0.02 -0.17 -0.07 0.02 -0.12 -0.07 0.08 0.12 0.03 -0.00 0.11 0.11 -0.01 -0.07 -0.01 0.22 0.03 0.00 -0.00 0.06 -0.00 -0.14 -0.01 0.02 0.08 0.02 0.02 0.05 0.09 0.05 0.20 -0.17 0.02 0.11 0.03 -0.01 -0.06 -0.06 -0.03 -0.08 -0.05 0.06 -0.04 0.07 -0.07 0.24 0.02 -0.08 0.19 0.08 -0.01 -0.09 0.06 0.01 -0.06 -0.01 -0.07 0.19 0.04 0.00 -0.07 0.03 -0.01 -0.04 0.03 -0.04 0.07 -0.04 0.05 -0.03 -0.04 0.02 0.00 -0.00 -0.01 -0.05 0.02 -0.00 -0.06 0.01 -0.02 -0.06 -0.17 0.21 0.01 -0.13 0.27 0.01 -0.14 0.11 0.04 0.05 0.02 -0.01 0.05 0.02 -0.01 0.06 0.02 -0.02 0.00 0.00 -0.00 -0.02 0.00 0.00 0.00 -0.01 -0.02 0.06 0.05 -0.02 0.04 0.03 -0.01 0.06 0.06 -0.02 0.01 -0.19 -0.08 -0.04 -0.13 -0.12 0.01 -0.19 -0.10 -0.03 -0.04 -0.01 -0.04 -0.07 0.00 0.02 -0.03 -0.02 -0.02 -0.15 -0.01 -0.03 -0.11 -0.03 0.00 -0.18 -0.06 0.08 -0.00 -0.03 0.07 0.01 -0.02 0.05 -0.01 -0.06 -0.07 0.08 -0.23 -0.09 0.04 -0.21 0.12 0.01 -0.09 -0.08 0.09 -0.18 0.06 -0.07 -0.13 -0.07 -0.02 0.00 0.00 0.01 0.03 -0.04 -0.02 0.07 -0.16 -0.08 0.03 -0.09 0.02 -0.10 -0.03 -0.03 0.11 -0.12 -0.06 0.02 -0.07 -0.01 -0.07 0.02 0.00 -0.00 0.21 -0.03 -0.06 0.22 -0.04 -0.09 -0.05 -0.00 -0.06 0.14 -0.03 -0.04 -0.05 -0.05 0.09 -0.05 -0.03 0.05 -0.08 -0.08 0.05 -0.08 -0.07 0.09 0.03 0.10 0.02 -0.01 0.09 0.04 0.00 0.09 0.02 0.03 -0.00 -0.03 0.02 -0.02 0.00 0.03 -0.01 -0.02 0.11 0.03 -0.15 0.02 -0.02 -0.09 0.09 0.04 -0.13 0.07 0.06 -0.01 0.10 0.05 -0.00 0.06 0.08 0.00 -0.03 -0.03 0.00 0.01 0.00 -0.00 -0.01 -0.04 0.01 0.28 0.08 0.11 0.32 0.07 0.13 0.25 0.09 0.14 -0.16 -0.01 -0.04 -0.22 -0.04 -0.06 -0.14 -0.01 -0.06 0.00 -0.00 0.02 0.01 0.04 0.03 0.03 -0.00 0.01 -0.07 0.01 -0.09 -0.05 0.00 -0.04 -0.11 0.01 -0.12 0.04 0.02 0.09 -0.02 0.09 0.14 0.01 -0.01 -0.13 0.03 0.00 0.04 0.22 0.03 -0.04 0.03 -0.00 -0.01 -0.03 -0.04 -0.09 0.02 -0.02 -0.00 0.06 0.11 -0.03 0.05 -0.03 0.07 -0.05 0.25 -0.19 -0.03 -0.19 0.12 0.07 0.03 0.06 0.14 0.04 0.06 0.08 -0.11 0.14 -0.02 -0.05 0.14 0.04 0.01 0.05 0.07 -0.12 0.14 -0.01 0.27 -0.17 -0.00 0.23 -0.12 -0.01 -0.22 0.16 -0.02 -0.15 0.13 -0.02 -0.04 -0.04 0.00 0.03 -0.07 -0.00 -0.07 -0.08 -0.04 0.03 -0.00 -0.03 0.03 0.00 -0.03 0.02 0.01 -0.18 0.09 0.04 -0.16 0.09 -0.02 -0.15 0.14 0.01 -0.03 -0.02 -0.01 -0.03 -0.02 -0.01 -0.03 -0.02 -0.01 -0.04 -0.03 0.01 -0.03 -0.02 0.01 -0.01 -0.01 0.03 0.15 -0.03 0.01 0.14 -0.00 -0.00 0.11 0.02 -0.01 -0.12 0.02 -0.02 -0.16 0.00 -0.04 -0.14 0.02 -0.04 -0.00 -0.05 -0.01 -0.01 -0.06 -0.02 -0.01 -0.05 -0.01 -0.09 0.03 -0.06 -0.06 0.00 -0.04 -0.03 0.02 0.00 0.12 0.01 -0.07 0.10 0.05 -0.05 0.02 -0.06 0.08 0.06 -0.00 -0.06 0.05 -0.15 0.12 -0.04 -0.05 0.03 0.02 -0.04 0.04 0.02 -0.01 0.08 -0.13 -0.12 0.06 -0.03 -0.04 -0.07 0.05 0.01 -0.03 0.00 -0.07 -0.14 0.04 0.04 0.02 0.06 0.04 0.01 -0.03 -0.17 -0.17 -0.06 -0.10 -0.04 0.01 0.02 0.01 -0.02 -0.18 -0.18 0.01 0.07 0.01 0.00 0.08 -0.00 0.04 -0.06 -0.13 0.04 -0.01 -0.12 -0.03 0.01 0.00 -0.01 0.04 -0.02 -0.06 -0.02 -0.02 -0.03 -0.02 -0.01 -0.06 -0.06 -0.04 -0.04 0.08 -0.07 -0.14 -0.03 0.19 -0.11 -0.01 0.17 -0.11 -0.04 0.16 -0.01 -0.03 0.00 -0.01 -0.01 -0.02 -0.02 -0.02 0.01 0.04 0.03 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.02 0.04 -0.00 -0.03 0.15 0.01 0.00 -0.08 0.10 -0.00 0.05 0.04 0.00 0.11 0.09 0.02 0.04 0.04 0.04 -0.02 0.30 -0.14 0.01 0.17 -0.12 -0.08 0.40 0.03 0.03 0.02 0.07 0.02 0.03 0.05 0.01 0.03 0.06 0.16 0.01 0.06 0.16 0.08 0.05 -0.01 0.03 -0.09 0.10 -0.01 0.04 -0.03 -0.19 -0.14 0.02 -0.02 0.01 0.16 -0.04 -0.08 0.05 -0.12 0.09 -0.05 0.04 0.02 -0.00 0.02 -0.01 -0.03 0.05 0.19 0.04 -0.14 0.08 0.03 -0.01 0.04 -0.02 -0.02 -0.00 0.02 0.18 0.18 0.06 0.14 0.10 0.00 -0.02 0.03 0.02 0.11 0.14 0.01 -0.04 0.12 0.01 -0.05 0.11 0.01 -0.13 0.06 0.01 -0.11 0.03 0.01 -0.08 0.05 0.01 -0.11 0.06 -0.00 -0.07 0.08 -0.00 -0.01 0.01 -0.00 -0.01 -0.03 0.02 0.07 -0.08 0.09 0.05 -0.10 0.07 0.04 -0.08 0.09 0.06 -0.10 -0.09 -0.09 0.02 -0.09 -0.07 -0.00 -0.08 -0.11 0.04 -0.05 -0.02 0.01 -0.07 -0.03 0.01 -0.04 0.01 0.01 -0.07 -0.01 -0.06 -0.17 -0.04 -0.09 0.05 -0.12 -0.09 -0.04 0.03 0.00 -0.01 0.02 0.02 -0.07 0.02 -0.03 0.05 0.28 -0.20 0.10 0.09 -0.16 -0.05 0.39 0.01 -0.05 0.02 -0.08 -0.03 0.01 -0.04 -0.04 0.01 -0.07 -0.10 -0.03 -0.09 -0.06 -0.12 -0.10 0.04 -0.01 -0.02 -0.04 0.00 -0.03 0.02 0.16 0.14 0.02 -0.05 -0.01 -0.07 -0.07 -0.01 0.08 0.04 0.03 -0.05 -0.05 0.00 0.06 -0.11 -0.06 0.03 -0.13 -0.13 0.01 -0.13 0.04 -0.02 -0.04 -0.03 -0.09 -0.05 -0.06 -0.03 0.16 0.09 0.03 0.13 0.09 -0.02 -0.03 -0.03 -0.05 0.09 0.05 0.05 -0.08 -0.09 0.05 -0.09 -0.05 0.03 -0.07 -0.00 0.01 0.01 -0.02 -0.02 0.11 -0.04 0.00 0.10 -0.04 -0.00 0.11 -0.06 -0.07 0.00 0.00 -0.14 -0.10 0.07 -0.12 0.02 0.04 0.11 -0.00 0.04 0.12 -0.00 -0.02 0.06 0.02 0.08 0.14 0.10 -0.02 0.19 0.05 0.01 0.12 0.15 -0.04 -0.10 -0.12 0.02 -0.00 -0.04 -0.00 -0.11 -0.20 0.02 -0.12 -0.04 -0.07 -0.06 -0.02 -0.05 -0.05 -0.18 0.06 -0.02 0.14 -0.01 -0.02 0.19 -0.02 -0.08 0.14 0.03 -0.10 0.03 0.10 -0.13 0.07 0.08 -0.06 0.02 0.07 -0.09 0.01 0.05 -0.09 0.01 0.06 -0.11 -0.00 0.05 0.22 0.03 -0.01 0.25 0.08 -0.06 0.13 -0.16 -0.07 0.13 0.01 -0.00 -0.04 0.14 0.05 -0.07 -0.02 0.04 -0.02 -0.04 -0.03 -0.13 -0.17 0.05 -0.03 0.06 0.03 -0.12 0.03 0.11 -0.02 0.06 -0.08 0.03 0.13 0.07 -0.02 -0.02 -0.03 -0.04 -0.02 -0.04 -0.06 0.02 0.08 -0.08 -0.03 -0.02 -0.02 -0.02 -0.03 -0.03 0.07 0.10 0.02 0.03 -0.09 0.02 0.02 -0.07 -0.04 0.09 0.06 -0.02 -0.02 0.05 0.01 0.01 0.01 0.02 0.01 0.01 -0.03 0.00 0.02 -0.06 -0.01 0.00 -0.12 -0.10 0.05 -0.10 0.03 0.01 0.01 -0.01 -0.17 0.03 0.00 -0.15 0.03 -0.03 -0.19 0.06 0.10 -0.01 0.04 0.11 -0.02 0.08 0.07 -0.00 0.17 0.12 -0.03 0.15 0.09 -0.03 0.18 0.15 -0.03 -0.04 -0.03 -0.02 0.03 0.01 0.01 -0.04 -0.10 0.09 0.06 -0.21 0.01 0.04 -0.28 0.03 0.12 -0.21 -0.04 -0.07 0.10 0.05 -0.06 0.04 0.05 -0.11 0.13 0.10 0.09 -0.03 -0.06 0.08 -0.02 -0.04 0.08 -0.03 -0.08 0.24 0.01 -0.01 0.24 0.10 -0.03 -0.14 -0.01 0.13 0.12 -0.02 -0.01 -0.08 0.01 0.05 -0.04 0.02 -0.08 -0.01 0.04 -0.06 -0.04 -0.01 -0.03 -0.10 0.00 -0.06 -0.07 0.04 -0.11 -0.02 0.01 0.19 -0.02 0.18 0.07 0.05 0.02 0.08 -0.00 0.00 0.03 -0.04 0.04 0.05 -0.04 0.03 0.04 0.03 0.01 0.07 -0.05 0.08 0.08 -0.01 -0.02 0.16 -0.02 -0.03 0.15 -0.04 0.16 0.07 -0.03 0.13 0.05 0.00 -0.06 0.00 -0.01 -0.06 -0.00 0.01 -0.06 0.00 0.06 0.02 0.00 0.09 0.05 0.05 0.12 -0.03 -0.02 -0.01 0.02 0.04 -0.01 0.02 0.07 0.01 -0.00 0.03 -0.13 -0.14 0.03 -0.14 -0.12 0.01 -0.14 -0.15 0.02 -0.06 -0.01 0.01 -0.10 -0.04 0.02 -0.08 0.00 -0.00 -0.04 0.00 -0.05 0.09 0.02 0.00 -0.06 -0.03 0.07 -0.03 0.05 -0.00 -0.09 0.05 -0.02 -0.01 0.06 0.01 0.13 -0.19 -0.11 0.14 -0.15 -0.10 0.14 -0.19 -0.12 0.01 0.01 0.02 0.01 0.01 0.01 -0.02 0.02 -0.02 0.34 0.03 0.03 0.34 0.13 0.01 -0.05 0.06 -0.12 0.21 -0.00 0.03 -0.05 0.02 -0.00 0.04 -0.05 -0.06 0.08 -0.09 -0.12 0.09 -0.12 0.02 -0.00 0.01 -0.05 0.06 -0.08 -0.05 0.02 0.08 -0.06 -0.05 0.45 0.07 -0.05 -0.01 -0.07 0.00 0.00 -0.04 0.04 -0.14 0.02 -0.02 -0.15 -0.01 -0.04 -0.01 -0.07 0.04 0.02 0.15 0.02 0.07 -0.06 0.03 0.07 -0.07 -0.07 0.38 0.11 -0.05 0.30 0.10 0.05 -0.05 0.05 0.04 -0.00 0.04 0.04 -0.07 0.02 -0.07 0.01 0.01 -0.10 -0.03 0.05 -0.08 0.03 -0.01 0.03 -0.03 0.04 0.04 -0.03 0.02 0.01 -0.03 0.05 0.03 0.02 -0.01 0.06 0.01 -0.01 0.04 0.01 0.03 -0.08 -0.05 0.01 -0.04 -0.02 0.00 -0.09 -0.10 0.01 0.04 -0.04 0.01 0.03 -0.03 -0.00 0.00 0.01 -0.01 -0.12 0.08 0.00 -0.27 0.06 -0.05 -0.05 0.10 0.03 -0.02 0.10 0.03 -0.00 0.01 0.05 -0.09 0.13 0.10 0.04 -0.02 0.07 0.01 -0.00 0.06 0.02 -0.04 0.06 -0.10 0.00 0.03 -0.10 -0.02 0.03 0.07 -0.11 -0.05 -0.06 0.01 0.02 0.04 -0.13 -0.02 0.02 -0.03 0.01 -0.01 -0.05 -0.03 0.01 -0.05 0.01 0.03 0.02 -0.00 0.02 -0.04 0.04 -0.11 -0.19 -0.03 -0.01 0.08 0.04 0.07 -0.00 0.17 0.04 -0.01 0.14 0.05 0.02 -0.00 0.05 0.06 0.01 0.08 0.01 0.18 0.02 0.04 0.02 -0.10 -0.12 0.03 -0.12 -0.12 0.08 -0.02 0.06 0.05 -0.02 0.02 0.05 -0.07 0.04 -0.09 -0.08 0.00 -0.08 -0.03 0.06 -0.08 0.08 0.04 -0.12 0.24 0.29 -0.54 0.04 0.04 -0.08 -0.07 0.04 0.04 -0.12 0.02 0.06 -0.05 0.05 0.03 0.05 0.06 -0.01 0.02 0.01 0.04 0.04 0.07 -0.07 0.03 -0.01 -0.00 0.05 -0.00 -0.01 0.05 -0.01 0.01 0.01 0.10 -0.10 0.00 -0.03 -0.07 -0.02 0.19 -0.23 0.01 -0.02 -0.00 -0.04 -0.05 -0.01 0.01 -0.03 -0.02 -0.06 0.02 -0.01 -0.06 0.02 -0.01 -0.06 0.03 0.00 -0.02 -0.00 -0.04 -0.01 -0.01 -0.03 -0.00 -0.01 -0.01 -0.01 -0.07 0.09 0.02 -0.03 0.05 0.03 -0.09 0.04 -0.05 -0.10 0.06 0.05 0.01 -0.05 -0.00 0.01 0.00 -0.00 0.02 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.00 0.06 0.10 -0.00 0.01 -0.05 0.01 -0.12 0.19 -0.02 -0.17 0.17 -0.14 0.09 -0.04 -0.01 0.06 -0.02 -0.01 -0.04 0.14 0.07 0.07 -0.03 0.01 0.05 0.06 -0.04 0.04 0.12 -0.04 0.02 -0.05 0.02 0.02 -0.04 0.03 0.00 0.00 0.05 0.03 0.02 0.04 0.00 -0.01 0.04 0.03 0.09 -0.07 0.20 0.36 -0.39 0.05 0.05 -0.06 0.07 -0.01 -0.04 0.07 -0.01 -0.06 0.05 0.00 -0.03 -0.02 -0.02 0.00 0.01 0.01 -0.03 -0.01 -0.01 0.04 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.02 0.00 -0.01 -0.10 -0.23 -0.10 -0.02 -0.22 -0.10 -0.05 -0.36 0.05 -0.01 -0.00 -0.00 -0.03 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.02 -0.02 0.02 -0.01 0.00 -0.02 -0.02 -0.03 0.00 0.01 0.01 0.00 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.06 0.23 0.06 0.02 0.13 -0.02 0.02 0.00 -0.05 -0.11 0.15 0.07 -0.11 -0.07 -0.02 0.05 -0.03 0.06 0.09 0.00 -0.04 0.03 -0.04 -0.04 0.01 -0.02 -0.04 0.08 -0.05 0.07 -0.11 -0.05 -0.01 -0.02 0.01 0.08 -0.09 -0.05 0.06 -0.09 -0.01 0.07 0.06 -0.05 0.08 0.14 0.03 0.02 -0.06 -0.10 0.01 0.03 -0.07 0.03 -0.08 -0.03 0.03 -0.07 -0.05 -0.01 -0.05 0.04 -0.02 -0.05 0.03 0.24 -0.24 0.08 0.18 -0.22 0.10 0.10 -0.24 0.14 -0.16 0.04 -0.05 -0.15 0.06 -0.12 -0.21 0.04 -0.02 -0.09 0.04 0.12 -0.09 0.05 0.09 -0.04 0.06 0.09 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.07 -0.14 0.05 -0.07 -0.00 0.01 -0.03 0.03 0.00 0.06 0.06 0.06 -0.01 0.05 -0.09 0.01 -0.03 -0.06 -0.04 0.10 -0.14 0.03 0.00 -0.01 0.04 -0.04 0.01 0.02 -0.01 -0.06 -0.04 0.05 0.21 -0.03 -0.04 0.22 -0.14 0.01 0.17 -0.00 0.02 -0.12 -0.00 0.03 -0.12 0.03 0.01 -0.09 0.02 -0.04 0.11 0.06 0.06 0.04 -0.06 0.14 -0.06 -0.07 -0.08 0.06 0.07 0.02 -0.08 0.00 -0.02 0.01 -0.04 -0.04 -0.01 -0.02 -0.05 0.00 0.04 0.02 0.00 0.00 -0.03 0.05 0.15 -0.12 -0.01 -0.04 0.06 0.04 0.06 -0.04 -0.11 0.02 -0.05 -0.10 0.14 0.02 -0.07 0.14 0.11 0.01 -0.00 -0.04 -0.16 0.05 0.03 -0.05 0.07 -0.04 0.04 0.07 -0.03 -0.01 -0.04 0.02 0.08 -0.04 -0.03 0.10 -0.10 0.12 -0.06 -0.05 0.09 -0.06 -0.04 0.13 -0.07 -0.05 -0.00 0.11 -0.20 -0.24 0.53 -0.01 -0.01 0.07 -0.04 0.02 0.11 -0.05 0.02 0.10 -0.01 0.04 0.09 -0.01 -0.04 0.01 -0.00 -0.04 0.01 -0.05 0.03 -0.03 -0.00 0.01 -0.00 -0.02 -0.01 -0.00 0.09 0.08 0.04 -0.06 -0.05 -0.10 -0.04 -0.04 -0.10 -0.08 -0.04 -0.07 0.05 -0.05 -0.00 -0.02 -0.10 -0.01 0.03 -0.06 -0.06 0.09 -0.01 -0.04 0.06 0.03 -0.09 0.15 -0.01 -0.07 -0.04 0.04 -0.13 -0.02 0.03 -0.12 -0.00 0.03 -0.08 -0.05 0.13 0.10 -0.01 0.09 0.06 0.02 -0.09 0.06 0.02 0.13 0.06 0.13 -0.04 -0.13 -0.00 0.00 -0.01 0.02 0.00 -0.01 -0.01 -0.03 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.19 -0.24 -0.10 -0.05 0.09 -0.00 -0.05 0.22 0.04 -0.09 0.20 -0.05 0.01 0.10 -0.06 0.03 0.16 0.02 0.01 0.17 0.12 -0.02 0.06 -0.09 0.07 -0.14 -0.04 0.02 0.00 -0.03 -0.06 0.04 0.04 -0.06 0.01 0.04 0.01 -0.05 0.05 0.05 -0.06 0.05 0.00 -0.03 0.07 0.11 -0.11 -0.00 0.10 -0.13 -0.09 0.08 -0.06 0.02 -0.10 0.04 0.14 -0.10 0.04 0.12 -0.05 0.05 0.12 0.04 0.03 -0.01 0.07 0.03 -0.01 0.05 0.02 0.03 -0.03 -0.03 0.00 0.01 -0.00 -0.01 0.11 0.04 0.06 0.05 -0.14 0.17 0.05 0.03 0.13 0.11 -0.29 0.37 0.03 -0.01 -0.00 0.02 -0.07 0.01 0.03 -0.02 -0.07 -0.10 -0.01 -0.04 -0.07 -0.03 -0.00 -0.11 0.04 0.04 -0.01 0.02 -0.13 -0.00 0.02 -0.13 0.03 0.01 -0.09 0.01 0.04 -0.14 -0.05 0.01 -0.07 0.01 -0.03 -0.00 0.04 0.06 -0.12 -0.00 0.06 -0.00 -0.01 -0.00 0.05 -0.04 -0.02 0.03 -0.07 -0.05 0.02 0.02 0.03 0.04 -0.02 0.00 0.07 0.02 -0.04 -0.07 0.01 -0.04 -0.04 -0.04 -0.03 -0.02 -0.01 -0.01 0.02 -0.06 0.01 0.02 -0.02 -0.02 0.05 -0.02 -0.00 -0.02 -0.04 -0.02 0.00 0.01 0.03 -0.02 0.02 0.01 -0.02 0.03 0.01 -0.06 0.02 0.07 -0.07 0.00 0.14 -0.04 -0.01 0.14 -0.04 -0.01 0.13 -0.06 -0.04 0.07 -0.03 0.07 0.24 -0.21 -0.02 0.05 -0.04 0.04 -0.04 0.07 0.06 -0.02 0.08 0.12 -0.03 0.02 0.07 -0.16 -0.00 0.19 -0.25 0.05 0.00 -0.04 -0.02 -0.24 -0.00 0.02 -0.24 0.02 -0.01 0.05 0.16 0.14 0.03 0.03 0.06 0.01 0.00 0.06 0.06 0.01 0.04 -0.06 0.05 -0.00 0.10 -0.07 0.10 0.08 0.07 -0.11 0.05 0.02 0.01 0.03 0.09 -0.01 0.08 -0.01 -0.06 0.26 0.02 -0.16 0.19 0.11 -0.19 0.24 -0.03 -0.18 0.02 -0.13 -0.03 0.01 -0.09 -0.02 -0.02 -0.02 0.08 -0.04 -0.14 0.00 -0.05 0.04 0.05 -0.02 0.02 0.02 -0.00 0.03 0.02 -0.05 -0.00 -0.00 -0.00 0.01 0.01 -0.04 0.04 0.02 -0.13 -0.00 -0.05 0.10 -0.07 -0.03 0.02 0.01 0.10 -0.00 -0.01 0.02 0.09 -0.08 0.04 0.04 -0.07 0.01 0.02 -0.03 0.13 0.12 -0.06 0.08 -0.07 -0.00 -0.04 -0.08 -0.02 0.02 0.14 -0.01 -0.06 0.14 0.07 -0.07 0.03 -0.06 0.02 0.02 -0.05 0.02 -0.00 -0.06 0.03 0.12 -0.17 0.04 -0.02 -0.40 0.19 0.07 -0.09 0.05 0.02 0.02 -0.04 -0.01 0.01 -0.01 0.06 0.02 -0.07 0.06 0.02 -0.01 0.11 -0.05 0.03 0.07 0.01 0.00 -0.09 -0.04 0.01 -0.05 -0.01 -0.01 0.02 -0.01 0.06 -0.08 0.01 -0.13 -0.07 0.02 -0.14 -0.15 0.10 -0.16 -0.16 0.04 0.00 -0.04 -0.03 0.08 -0.03 0.06 -0.03 -0.13 -0.03 -0.03 -0.10 -0.04 0.01 -0.12 0.02 0.05 0.17 -0.04 -0.02 0.13 0.00 -0.04 0.15 -0.05 -0.05 -0.03 0.25 0.04 0.03 0.21 -0.01 -0.09 0.10 0.03 0.06 0.26 -0.02 0.10 -0.12 -0.01 -0.01 0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 -0.01 -0.00 0.00 -0.02 -0.08 -0.03 -0.30 -0.07 0.02 0.03 -0.14 -0.17 0.08 -0.06 -0.15 0.14 -0.01 0.01 -0.04 0.06 0.01 0.00 -0.05 -0.13 0.11 -0.07 -0.00 -0.05 0.02 0.04 -0.21 0.04 -0.02 -0.12 -0.09 -0.02 0.06 -0.10 -0.05 0.05 -0.03 0.04 0.29 0.07 0.11 0.25 -0.01 -0.01 0.23 0.11 0.04 0.06 0.17 0.13 0.04 0.18 0.02 0.03 0.07 -0.07 0.06 0.09 -0.07 -0.04 0.04 -0.02 0.08 0.01 -0.02 0.00 0.12 0.18 -0.18 0.02 0.06 0.21 -0.01 -0.01 0.00 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.00 0.12 -0.06 -0.00 0.03 -0.03 -0.04 0.22 -0.17 0.11 0.00 -0.01 0.06 0.01 -0.03 0.05 -0.01 -0.02 -0.03 -0.05 -0.15 0.04 -0.04 -0.04 -0.06 0.00 -0.06 -0.03 0.04 -0.05 -0.02 0.04 -0.04 -0.01 0.03 -0.03 0.01 0.00 0.01 0.01 -0.04 0.02 0.01 -0.01 -0.02 0.04 0.02 0.04 0.01 0.05 -0.07 0.01 -0.01 -0.01 -0.00 -0.02 -0.02 0.03 -0.01 0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.01 -0.18 0.22 0.12 -0.19 0.02 0.06 -0.01 0.04 0.07 -0.01 0.03 0.01 -0.03 -0.03 -0.07 0.01 -0.07 -0.05 -0.01 -0.00 0.10 -0.11 -0.03 -0.07 -0.08 0.10 0.05 -0.08 0.05 0.08 -0.21 -0.07 0.12 -0.22 -0.12 0.14 0.12 0.01 -0.12 0.02 0.00 -0.10 0.04 0.01 -0.10 0.03 -0.13 -0.05 -0.01 -0.17 -0.16 -0.05 -0.06 -0.02 0.10 -0.05 -0.05 0.09 -0.06 -0.07 0.06 -0.03 -0.02 0.08 -0.16 -0.01 0.09 -0.25 0.07 0.05 -0.14 -0.08 -0.12 0.13 0.01 -0.16 0.12 0.00 -0.15 0.10 0.00 -0.02 -0.01 -0.02 0.01 0.02 -0.02 -0.04 -0.01 0.02 0.24 0.01 -0.01 0.02 0.09 -0.13 0.11 -0.01 0.05 -0.07 0.02 0.07 -0.09 0.06 0.06 -0.03 0.01 0.05 -0.01 0.08 0.05 -0.06 0.12 0.04 -0.04 0.06 0.04 -0.03 0.11 -0.01 -0.02 0.13 -0.02 0.01 -0.01 -0.01 -0.02 0.10 -0.05 -0.03 0.01 -0.10 0.01 -0.02 -0.01 -0.00 -0.02 -0.01 0.04 0.02 0.00 0.00 -0.02 -0.00 0.02 -0.02 -0.01 0.09 -0.30 -0.22 0.14 0.03 -0.02 -0.01 0.01 0.01 -0.01 0.00 0.01 0.04 0.01 0.05 -0.02 0.03 -0.00 0.01 0.01 0.02 0.10 0.04 0.06 0.03 -0.11 -0.08 0.01 -0.07 -0.05 0.12 0.06 -0.06 0.13 0.02 -0.06 0.11 0.12 0.06 0.11 0.11 0.07 0.04 0.11 0.07 -0.00 -0.02 -0.01 0.01 -0.01 -0.05 -0.01 -0.00 -0.01 -0.10 0.05 -0.04 -0.13 0.05 -0.04 -0.12 0.06 -0.03 0.05 -0.23 0.02 0.05 0.04 -0.19 0.00 -0.11 0.08 -0.05 0.24 0.00 -0.15 0.18 0.08 -0.31 0.19 -0.11 0.00 0.01 -0.00 -0.01 0.01 -0.01 0.00 0.02 -0.02 -0.11 -0.14 0.02 -0.02 -0.15 0.05 -0.05 -0.13 0.02 -0.00 0.00 0.00 -0.01 0.11 0.03 0.06 -0.02 -0.05 -0.14 0.04 0.09 -0.17 0.05 0.11 -0.15 0.02 0.09 0.00 0.01 -0.01 0.01 0.01 -0.01 0.07 -0.08 -0.01 0.00 0.01 -0.01 0.04 -0.03 0.06 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.12 -0.30 -0.16 -0.14 -0.06 0.05 0.06 0.02 -0.03 0.03 0.02 -0.02 -0.02 0.01 -0.05 -0.07 0.04 -0.08 0.02 0.04 -0.06 -0.03 0.03 -0.06 0.02 -0.13 -0.05 -0.00 -0.07 -0.05 -0.08 -0.08 0.09 -0.10 -0.01 0.12 -0.02 0.04 0.06 0.02 0.04 0.06 -0.01 0.03 0.06 -0.01 0.05 0.01 -0.09 -0.09 0.26 0.01 0.03 0.01 -0.18 0.12 -0.18 -0.20 0.13 -0.05 -0.09 0.04 -0.25 0.01 -0.02 0.00 0.04 0.08 -0.08 0.00 0.04 0.06 -0.03 -0.01 0.01 -0.05 -0.01 0.04 -0.20 -0.09 -0.06 0.02 -0.03 -0.01 0.04 -0.03 -0.00 0.01 -0.01 -0.00 0.08 0.14 -0.00 -0.21 0.23 -0.15 0.02 0.15 0.11 0.02 -0.00 -0.03 0.03 0.01 -0.02 0.02 -0.00 -0.03 0.19 -0.09 0.14 0.14 -0.05 0.13 0.12 -0.09 0.06 -0.02 -0.02 0.03 -0.03 -0.06 0.05 -0.04 0.03 0.01 0.04 -0.01 0.02 -0.03 -0.02 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.03 0.05 0.04 0.01 0.01 -0.01 0.01 0.02 0.02 -0.00 0.03 0.08 -0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.06 0.07 -0.06 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 0.03 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.04 -0.02 -0.00 -0.04 -0.01 -0.01 -0.03 -0.01 0.07 0.12 -0.06 -0.26 -0.41 0.70 0.04 0.07 0.02 0.01 -0.00 0.01 0.01 -0.01 -0.01 0.00 0.00 0.01 0.04 -0.00 -0.01 0.11 -0.17 0.10 0.04 -0.02 -0.03 -0.02 0.03 0.00 -0.02 0.03 -0.05 0.07 0.03 0.04 -0.00 -0.01 0.01 -0.01 -0.06 0.03 -0.01 0.04 -0.05 -0.00 -0.02 0.00 0.03 -0.03 0.01 0.00 -0.02 -0.01 -0.08 -0.01 -0.03 -0.07 -0.02 -0.01 -0.09 -0.00 -0.01 -0.02 0.02 0.00 -0.02 0.02 -0.01 -0.01 0.02 0.01 -0.01 -0.08 0.03 -0.03 -0.23 0.09 -0.04 0.04 0.00 0.21 -0.03 0.02 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.03 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 0.01 0.02 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.02 0.02 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.02 0.01 0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.02 0.01 -0.03 0.01 0.01 -0.03 0.00 0.01 -0.03 0.01 0.01 -0.03 -0.07 -0.13 0.12 -0.01 0.01 -0.01 0.02 -0.01 0.02 0.02 -0.01 0.01 0.03 -0.00 0.01 0.01 -0.02 0.04 -0.35 0.65 -0.42 -0.01 0.02 0.05 0.01 -0.03 0.00 0.06 0.01 0.22 -0.37 -0.07 -0.16 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.04 -0.02 0.02 0.01 0.00 -0.03 -0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.02 0.00 -0.03 0.01 0.02 0.01 0.01 -0.02 -0.03 -0.00 -0.01 0.00 -0.01 -0.03 0.01 0.02 -0.02 0.00 0.04 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.04 0.15 0.19 0.02 0.01 -0.01 0.05 -0.03 -0.10 0.06 -0.03 -0.12 -0.02 -0.01 0.02 -0.03 -0.02 0.01 0.11 -0.05 -0.05 -0.00 -0.01 0.02 0.01 0.00 0.06 0.02 0.00 -0.03 -0.01 0.00 -0.01 -0.00 -0.02 -0.02 -0.14 -0.14 -0.03 -0.09 -0.15 -0.04 -0.07 -0.12 -0.03 0.01 0.06 0.18 0.25 0.43 -0.20 0.09 0.02 0.13 -0.02 0.02 -0.02 -0.02 0.03 -0.01 -0.01 0.03 -0.02 0.20 -0.01 -0.01 0.09 0.22 -0.16 0.18 0.05 -0.03 -0.07 0.06 0.02 -0.01 0.11 0.09 -0.31 -0.05 -0.08 0.02 -0.01 -0.00 0.02 0.02 -0.02 0.04 -0.05 0.04 0.00 -0.04 -0.00 0.11 -0.07 0.05 0.03 -0.04 -0.03 -0.08 -0.03 -0.07 -0.06 -0.15 -0.07 -0.13 0.05 0.07 0.01 0.07 0.01 -0.03 0.11 0.04 -0.01 0.02 0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.06 0.08 -0.00 -0.08 -0.00 0.07 -0.02 -0.01 0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.02 0.03 0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.16 -0.04 -0.07 0.02 0.03 -0.01 0.07 0.08 0.05 0.03 0.08 0.04 -0.01 -0.04 0.03 -0.02 -0.07 0.02 -0.04 0.08 -0.02 -0.00 -0.03 0.05 -0.11 -0.04 -0.06 -0.13 -0.04 0.00 -0.02 0.01 -0.02 -0.02 -0.04 -0.05 -0.21 -0.06 0.15 -0.13 -0.01 0.11 -0.07 -0.09 0.07 -0.10 -0.08 -0.16 -0.23 -0.29 0.08 -0.13 -0.06 -0.17 0.04 0.01 -0.01 -0.00 -0.02 -0.03 0.01 0.06 -0.00 0.11 0.03 -0.02 0.28 -0.01 -0.03 0.11 0.12 0.08 -0.05 -0.01 0.02 -0.02 0.02 -0.03 -0.12 -0.13 -0.01 -0.01 -0.02 0.01 -0.00 -0.02 0.01 -0.02 -0.01 0.00 0.01 -0.06 -0.01 0.26 -0.10 0.10 0.05 -0.07 -0.06 0.25 0.03 0.06 0.25 -0.09 0.00 0.16 -0.01 0.02 0.00 0.12 0.00 -0.01 0.14 0.02 0.01 0.08 0.03 -0.00 0.01 -0.01 -0.01 0.06 -0.01 -0.14 0.18 0.00 -0.01 -0.01 -0.07 -0.01 -0.03 0.02 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.03 0.02 -0.03 -0.02 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.02 0.01 -0.02 0.02 0.02 -0.02 -0.01 0.01 -0.00 0.02 0.01 -0.03 -0.01 0.01 0.01 -0.00 0.01 0.01 0.03 -0.01 0.01 0.02 0.03 0.06 -0.03 -0.02 0.00 -0.02 0.00 -0.01 -0.03 -0.04 -0.02 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 0.01 -0.02 0.00 0.02 -0.01 -0.00 -0.02 -0.04 0.02 0.05 -0.02 0.02 -0.08 0.29 -0.20 0.04 0.02 0.05 -0.03 0.02 -0.04 0.02 0.06 -0.00 0.54 0.45 0.19 -0.03 0.01 0.02 -0.03 0.01 0.02 -0.04 0.03 0.00 0.00 0.02 0.02 -0.38 0.07 -0.16 -0.04 0.02 0.10 0.02 0.00 0.01 0.02 -0.02 -0.00 0.01 0.00 0.01 -0.02 -0.06 0.02 -0.02 -0.08 -0.12 0.03 0.02 0.03 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.16 0.20 0.02 0.00 -0.00 -0.00 0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.04 -0.04 -0.05 0.06 0.03 0.04 0.03 -0.06 -0.00 -0.02 0.03 0.01 0.03 -0.12 -0.08 0.01 0.04 -0.02 0.02 -0.00 -0.01 0.01 -0.01 -0.05 -0.04 -0.01 0.05 -0.05 -0.04 0.03 0.02 -0.03 0.01 -0.02 -0.01 0.07 0.00 -0.02 0.00 0.00 -0.02 0.00 -0.05 0.02 -0.03 -0.04 -0.04 -0.07 0.06 0.03 -0.00 0.03 0.07 -0.01 -0.02 -0.01 -0.02 0.00 0.01 0.03 0.03 0.04 -0.02 0.01 0.01 0.02 -0.00 0.03 -0.02 -0.03 0.01 -0.01 -0.02 0.03 -0.01 -0.05 0.01 0.01 -0.10 0.10 -0.05 -0.04 -0.02 0.03 -0.02 -0.07 -0.01 0.02 -0.04 -0.02 0.23 0.08 0.09 0.06 -0.02 -0.04 0.06 -0.02 -0.04 0.12 -0.12 0.02 0.01 -0.03 -0.02 0.36 -0.04 0.13 0.03 -0.03 -0.07 -0.03 -0.01 -0.01 -0.03 0.04 0.01 0.00 -0.01 -0.01 0.01 0.07 0.01 0.03 0.04 -0.06 0.09 0.10 0.07 -0.01 0.02 0.02 -0.03 0.00 0.05 -0.48 0.57 0.06 0.00 0.02 0.03 -0.04 0.01 0.04 -0.00 0.00 0.00 0.02 0.02 0.03 -0.04 -0.02 -0.03 -0.02 0.03 0.00 0.01 -0.02 -0.00 -0.04 0.03 0.01 0.03 0.01 0.00 0.01 -0.00 0.02 0.00 -0.02 -0.07 -0.09 0.04 0.04 -0.07 -0.00 0.04 -0.00 -0.06 0.04 -0.09 0.03 0.03 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.04 0.01 -0.03 -0.04 -0.01 -0.10 -0.02 -0.01 0.00 -0.01 -0.03 0.01 0.02 0.01 0.01 0.00 -0.01 -0.01 -0.05 -0.08 0.08 -0.01 -0.01 -0.00 -0.00 -0.02 0.02 0.02 -0.01 0.02 -0.01 -0.04 0.03 0.03 -0.02 0.01 -0.02 0.11 -0.08 0.02 0.01 0.01 0.00 0.04 -0.03 0.01 0.05 -0.01 0.30 0.26 0.09 0.14 -0.04 -0.09 0.15 -0.07 -0.09 0.32 -0.31 0.07 -0.01 0.05 -0.03 0.42 0.07 0.15 -0.02 0.05 -0.06 0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.03 -0.09 0.02 -0.04 -0.09 -0.04 -0.04 -0.06 -0.00 -0.03 0.04 0.06 -0.03 0.08 0.04 0.26 -0.32 -0.03 -0.02 0.02 -0.00 -0.10 0.08 0.05 0.00 0.00 -0.00 -0.02 -0.02 -0.03 0.03 0.01 0.03 0.03 -0.02 -0.01 -0.01 0.02 0.00 0.22 0.14 0.14 0.02 0.00 0.01 -0.21 -0.08 0.09 -0.12 -0.08 0.09 -0.03 0.08 -0.02 -0.02 0.11 -0.02 -0.16 -0.10 0.13 -0.03 0.07 -0.06 0.22 0.05 0.07 0.22 0.10 0.07 0.04 0.00 0.02 0.03 0.03 0.02 -0.07 -0.05 -0.05 0.00 -0.03 -0.08 -0.05 -0.06 -0.07 0.01 -0.05 -0.10 -0.08 -0.18 -0.02 -0.04 -0.02 -0.07 -0.10 -0.03 -0.00 -0.01 0.02 -0.02 -0.05 -0.05 -0.03 0.05 0.01 -0.02 0.09 -0.09 0.06 0.05 0.02 -0.04 0.01 0.04 0.03 -0.02 0.02 0.04 -0.35 -0.18 -0.12 0.07 0.02 -0.06 0.07 -0.05 -0.04 0.14 -0.06 -0.05 -0.03 0.00 0.01 -0.11 -0.02 -0.02 -0.01 0.01 0.00 0.05 0.01 0.03 0.03 -0.05 -0.01 0.02 0.01 0.03 0.02 -0.03 -0.01 0.01 -0.01 0.05 0.03 -0.06 0.02 -0.02 0.04 0.02 -0.03 0.05 0.03 -0.29 0.36 0.03 0.01 0.02 -0.04 -0.04 0.07 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.07 0.00 0.02 0.07 0.07 0.04 -0.04 -0.01 0.00 -0.01 0.01 0.07 0.07 -0.02 -0.02 0.05 0.01 -0.02 -0.02 0.03 -0.01 0.03 -0.00 0.00 0.04 0.01 0.01 0.03 0.03 -0.00 -0.03 -0.01 0.06 -0.03 -0.07 -0.06 -0.01 -0.01 -0.01 -0.00 -0.01 -0.02 -0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.01 0.01 -0.04 -0.00 -0.00 -0.01 -0.01 0.02 -0.02 -0.01 0.02 0.00 -0.01 0.00 -0.01 0.02 -0.01 0.00 -0.01 0.04 -0.03 0.01 0.00 -0.00 0.00 0.02 -0.01 0.00 0.02 -0.01 0.13 0.12 0.04 -0.07 0.02 0.05 -0.09 0.03 0.05 -0.22 0.24 -0.09 -0.04 0.04 -0.05 0.79 0.01 0.30 -0.00 0.04 -0.16 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.06 0.03 -0.02 -0.06 0.01 0.00 -0.05 0.04 0.02 -0.02 -0.03 0.02 -0.03 -0.03 -0.01 0.01 -0.00 0.01 -0.01 -0.01 0.07 -0.05 -0.06 0.01 -0.00 -0.00 0.03 0.02 0.03 -0.02 0.00 -0.04 -0.04 0.02 0.01 0.02 -0.03 -0.00 0.14 0.06 0.10 -0.02 -0.02 -0.02 -0.08 -0.03 0.02 -0.01 -0.01 0.07 -0.00 -0.05 0.05 -0.07 -0.05 0.02 -0.05 -0.01 0.03 0.03 -0.03 0.08 0.11 -0.02 0.02 0.10 0.04 0.00 -0.03 0.00 -0.05 -0.02 -0.04 -0.02 -0.01 -0.01 -0.04 0.03 -0.07 -0.02 0.03 0.04 0.01 0.01 -0.01 -0.02 -0.01 -0.04 -0.01 -0.01 -0.01 -0.01 -0.03 0.09 -0.05 -0.03 0.09 -0.04 -0.03 0.09 -0.06 -0.01 0.01 0.02 -0.14 0.17 -0.08 -0.02 0.00 -0.01 -0.06 -0.10 -0.03 0.04 -0.03 -0.05 0.42 0.15 0.17 0.00 -0.00 0.00 -0.03 -0.03 -0.00 -0.11 0.21 -0.17 0.04 -0.07 0.01 -0.07 -0.03 -0.05 0.04 -0.07 0.06 0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.01 0.03 0.16 0.06 0.02 0.16 -0.03 -0.01 0.20 0.01 0.00 0.01 0.00 0.03 0.03 -0.04 0.35 -0.45 -0.03 -0.01 -0.01 -0.02 -0.01 -0.09 0.03 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.02 -0.00 -0.18 0.24 0.14 0.20 0.09 0.11 0.04 -0.00 0.00 -0.05 -0.02 -0.07 -0.06 0.10 -0.19 0.03 0.12 -0.16 0.02 -0.02 0.01 -0.09 0.10 -0.27 -0.04 0.02 -0.02 -0.04 -0.02 0.02 0.16 -0.02 0.20 0.14 -0.00 0.07 0.02 0.02 0.00 -0.01 -0.01 0.02 0.01 0.03 0.02 -0.00 0.01 0.01 -0.01 -0.00 0.02 0.00 0.01 0.01 -0.05 -0.10 -0.04 0.00 -0.06 -0.10 -0.06 -0.07 -0.04 -0.02 0.00 0.01 -0.07 0.07 -0.03 -0.02 -0.00 0.00 -0.03 -0.07 -0.01 0.03 -0.03 -0.03 0.19 0.02 0.08 -0.01 0.03 -0.02 0.09 0.05 0.01 0.16 -0.30 0.28 -0.09 -0.08 -0.01 0.20 -0.14 0.14 0.01 -0.07 -0.06 -0.01 0.00 -0.00 -0.01 0.02 0.00 0.01 -0.00 -0.02 0.05 0.13 0.09 0.03 0.14 0.02 0.03 0.14 0.07 -0.01 -0.01 0.00 -0.05 -0.01 0.04 0.08 -0.12 -0.01 -0.00 -0.00 0.01 -0.05 0.13 -0.12 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.02 0.00 -0.01 0.01 0.01 -0.25 0.68 0.52 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.06 0.02 0.03 -0.01 0.01 0.01 -0.03 0.03 0.02 0.01 0.02 -0.01 -0.00 0.01 0.00 0.01 -0.08 -0.06 -0.01 -0.01 -0.03 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.04 0.01 -0.03 -0.09 0.07 0.01 0.10 0.10 -0.00 -0.00 0.01 0.01 0.01 -0.02 -0.00 0.00 0.00 -0.02 0.01 0.02 0.06 0.04 -0.12 -0.04 0.04 0.03 -0.00 -0.00 0.00 -0.04 -0.01 0.01 -0.01 -0.01 -0.04 0.00 0.01 0.00 -0.01 -0.00 0.02 -0.03 0.01 -0.02 0.03 -0.03 0.01 -0.02 -0.05 -0.01 -0.10 0.20 -0.20 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.06 -0.01 0.05 -0.02 -0.04 0.01 -0.02 -0.01 0.01 -0.03 -0.01 0.02 -0.02 0.00 0.00 0.01 0.01 0.02 0.01 -0.01 -0.05 0.03 0.02 0.00 0.00 -0.00 -0.02 -0.04 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 -0.13 0.27 0.18 -0.05 -0.00 -0.04 0.01 -0.02 0.02 -0.16 -0.05 -0.10 0.09 -0.05 0.03 0.08 -0.03 0.01 0.01 -0.04 0.03 0.08 -0.04 0.07 0.03 -0.01 -0.02 0.03 -0.04 0.03 -0.05 0.01 -0.05 -0.04 -0.02 -0.01 -0.00 0.01 -0.00 -0.00 -0.04 0.02 0.00 0.03 0.03 0.00 0.01 -0.01 -0.02 -0.03 0.01 -0.01 0.01 -0.00 -0.05 -0.01 0.00 -0.03 -0.00 -0.05 -0.04 0.03 -0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.08 0.10 -0.02 0.07 0.15 0.03 0.25 -0.54 0.58 0.02 0.01 -0.00 0.03 0.03 -0.01 0.01 0.01 0.01 0.00 0.00 0.00 -0.01 0.02 -0.01 0.02 -0.02 -0.03 0.01 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.02 -0.02 -0.06 -0.05 0.05 0.02 -0.04 0.01 0.01 -0.01 0.01 0.13 0.02 0.05 -0.00 0.00 -0.00 -0.02 0.00 0.01 0.00 -0.02 0.03 0.03 0.01 -0.01 -0.00 0.01 -0.02 -0.01 0.04 0.07 0.07 0.02 0.07 -0.01 -0.02 0.02 -0.12 -0.04 -0.07 -0.19 -0.19 -0.09 -0.24 -0.27 -0.03 0.00 -0.03 0.03 -0.14 -0.14 -0.09 0.07 -0.08 -0.01 0.08 -0.10 0.03 0.09 -0.04 0.13 0.07 0.03 0.06 -0.00 0.00 0.00 0.02 -0.03 0.01 -0.00 0.02 0.02 -0.00 0.00 -0.01 -0.02 -0.02 -0.00 -0.01 0.01 -0.00 0.17 0.32 0.03 0.13 0.28 0.07 0.07 0.23 0.11 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 0.02 -0.00 -0.01 0.01 0.02 -0.03 0.03 -0.02 -0.04 0.06 -0.03 0.15 0.11 0.03 0.03 -0.20 0.33 -0.02 0.01 0.00 -0.06 -0.09 0.02 -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.06 -0.04 -0.08 -0.04 -0.06 -0.04 -0.03 -0.07 -0.05 -0.01 -0.01 -0.00 -0.11 -0.02 0.11 -0.01 0.05 -0.03 0.01 0.00 0.01 -0.20 -0.11 -0.05 0.01 -0.01 0.00 0.22 -0.04 -0.17 -0.03 0.21 -0.18 -0.23 -0.13 0.09 0.03 -0.08 0.31 0.09 -0.16 -0.12 0.02 0.09 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.01 -0.02 -0.02 -0.02 -0.02 0.01 0.00 0.01 -0.02 -0.01 -0.03 -0.00 0.02 0.01 0.00 0.02 -0.03 0.01 0.00 0.05 0.01 0.00 0.03 -0.02 0.02 -0.02 0.00 -0.06 0.00 -0.01 0.09 0.05 0.01 0.00 0.00 -0.02 -0.04 0.01 -0.02 0.02 0.02 0.04 0.02 -0.00 0.01 0.01 0.03 0.01 0.01 0.02 0.00 -0.00 -0.00 -0.04 -0.03 0.03 -0.01 -0.00 -0.06 0.01 0.01 0.00 -0.01 -0.00 0.05 -0.09 0.02 -0.04 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.02 0.00 -0.07 -0.06 0.00 -0.00 0.02 -0.06 0.00 -0.01 0.02 -0.07 0.20 -0.05 0.16 -0.14 -0.25 0.00 -0.04 -0.05 0.02 -0.05 -0.05 0.15 -0.09 0.10 0.01 -0.00 0.01 0.08 0.07 -0.10 -0.33 -0.12 0.43 -0.04 -0.03 -0.03 -0.03 0.01 -0.01 0.02 -0.02 -0.00 0.05 0.02 0.12 -0.04 -0.07 -0.09 -0.08 0.13 0.01 0.12 -0.14 -0.04 -0.10 0.09 0.06 -0.01 -0.06 0.03 0.00 0.00 -0.00 -0.02 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.02 0.01 -0.02 0.01 -0.00 0.01 0.01 -0.02 -0.00 0.01 -0.04 0.05 -0.00 -0.00 -0.02 -0.00 0.01 0.00 0.01 0.03 -0.01 -0.02 0.13 -0.04 0.01 -0.06 -0.12 0.01 0.00 -0.00 0.04 0.04 0.13 0.07 -0.09 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.06 -0.05 0.03 0.02 -0.01 -0.00 0.00 0.07 0.01 -0.03 -0.01 0.03 0.06 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 0.01 0.00 -0.02 -0.01 0.00 0.03 -0.03 0.00 0.01 -0.00 0.00 -0.02 -0.05 0.01 0.01 -0.00 -0.04 -0.01 0.00 -0.00 0.02 -0.04 0.03 -0.04 0.05 0.08 -0.02 0.02 0.01 -0.01 -0.00 -0.00 0.09 -0.03 0.13 -0.00 -0.01 0.01 0.11 0.15 -0.16 -0.48 0.64 0.01 -0.13 -0.07 -0.07 0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.02 0.01 0.02 0.01 0.01 -0.03 0.00 -0.01 0.02 0.01 -0.05 0.01 -0.00 -0.00 0.02 -0.01 0.00 0.00 0.01 -0.03 0.01 0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.04 -0.07 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.02 0.02 -0.01 0.08 0.02 -0.03 -0.00 -0.00 -0.02 0.13 0.19 0.33 0.19 -0.32 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 0.02 -0.00 -0.01 -0.02 0.03 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.04 0.02 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 -0.01 -0.01 0.06 -0.22 0.04 -0.04 0.27 0.46 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.01 0.09 0.36 -0.19 0.06 -0.08 0.01 -0.29 -0.16 -0.18 0.00 0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.13 0.05 0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.02 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 0.01 0.01 -0.05 0.10 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.04 0.11 0.05 -0.09 -0.00 -0.04 -0.08 0.00 0.00 0.00 -0.01 -0.02 -0.05 -0.03 0.04 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 0.01 -0.00 -0.04 -0.01 0.02 0.60 0.16 -0.26 -0.07 0.26 0.52 0.01 0.01 0.00 -0.06 -0.04 -0.22 0.08 -0.20 0.04 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.03 0.03 -0.00 0.00 0.00 0.00 -0.01 -0.05 0.01 0.01 0.00 -0.04 -0.00 -0.00 0.00 -0.01 -0.07 -0.02 -0.05 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.03 -0.06 0.04 0.03 -0.05 0.01 0.05 0.02 0.03 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.02 0.01 0.01 0.18 0.12 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.01 0.02 -0.16 -0.12 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.02 -0.00 -0.01 -0.00 0.00 -0.00 0.08 -0.01 -0.01 -0.01 0.04 0.05 0.00 -0.00 0.00 -0.04 -0.03 0.07 -0.07 0.06 -0.03 0.00 -0.00 -0.00 0.02 0.01 0.00 -0.02 0.01 0.02 -0.02 -0.05 -0.00 0.17 0.67 -0.15 -0.14 -0.02 0.58 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.03 0.07 -0.05 -0.04 0.01 0.11 -0.07 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.02 0.01 -0.01 -0.02 0.01 0.01 -0.01 0.01 0.01 0.02 0.01 -0.02 0.02 -0.03 0.08 -0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.05 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.03 -0.02 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.04 -0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.00 -0.00 -0.07 0.02 -0.20 -0.02 0.10 0.01 0.00 -0.00 0.04 0.03 0.13 0.05 -0.10 0.04 0.00 0.00 0.00 -0.01 -0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.08 0.04 -0.04 0.03 -0.01 0.10 -0.00 0.01 0.00 0.01 0.02 -0.08 0.03 -0.09 0.02 -0.01 0.01 0.01 -0.07 -0.07 0.01 0.09 -0.06 -0.05 -0.00 -0.00 -0.00 0.01 0.03 -0.00 -0.00 -0.00 0.02 -0.02 0.01 0.01 -0.15 0.49 -0.11 0.40 -0.15 -0.37 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.03 0.00 -0.03 -0.00 -0.01 0.01 0.12 0.29 -0.21 0.04 0.02 -0.04 -0.22 -0.13 -0.16 0.01 0.02 0.02 -0.02 -0.01 -0.01 0.02 0.00 0.01 0.00 0.01 0.01 0.01 0.01 -0.02 -0.01 -0.02 0.00 -0.12 -0.03 -0.06 0.01 -0.05 0.03 0.00 0.00 0.00 -0.05 -0.01 -0.04 0.00 0.02 0.02 -0.04 0.06 0.03 -0.03 -0.01 -0.01 -0.03 0.05 0.04 0.01 0.01 0.00 0.02 -0.07 0.10 -0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.06 -0.02 0.01 -0.00 -0.00 -0.01 0.06 0.08 0.10 0.07 -0.11 0.00 -0.00 -0.01 -0.00 0.04 0.01 -0.02 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.04 -0.00 0.01 0.02 -0.03 -0.02 -0.00 0.00 -0.00 0.02 0.01 -0.02 0.01 -0.02 0.01 0.01 -0.02 -0.04 0.42 0.15 0.07 -0.41 0.23 0.27 0.00 0.00 0.00 -0.01 -0.02 0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.04 0.13 -0.02 0.14 0.00 -0.03 0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.02 -0.37 0.18 0.37 -0.04 -0.02 0.01 -0.07 -0.06 -0.09 -0.05 -0.10 -0.11 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.19 -0.03 -0.07 -0.02 -0.02 0.00 0.00 0.00 -0.01 -0.05 -0.00 -0.02 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.02 0.01 0.00 0.00 0.01 0.01 0.00 0.03 -0.09 0.14 -0.00 0.00 -0.00 -0.00 0.02 0.02 -0.00 -0.02 -0.00 0.06 0.00 -0.02 -0.02 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.02 0.01 -0.04 -0.03 0.00 0.01 -0.01 0.01 -0.03 0.25 -0.12 0.02 -0.03 0.11 0.09 0.02 -0.04 0.00 -0.13 -0.15 0.52 -0.23 0.60 -0.14 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.02 0.00 0.00 -0.00 -0.02 -0.11 0.03 -0.01 -0.00 -0.10 -0.00 0.00 0.00 -0.03 0.06 -0.03 0.04 -0.03 -0.07 -0.00 0.01 0.02 0.06 -0.06 -0.08 0.05 0.11 0.02 -0.00 -0.00 0.00 0.02 0.03 -0.03 0.03 -0.04 -0.00 -0.02 -0.01 -0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.61 0.07 0.23 0.00 -0.02 0.01 -0.00 -0.01 0.02 0.18 -0.00 0.04 -0.00 0.00 0.00 0.02 -0.01 -0.00 0.05 -0.05 0.07 -0.02 0.01 0.01 -0.05 -0.01 -0.01 -0.10 0.31 -0.46 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.01 -0.05 -0.08 0.04 0.03 0.05 0.04 -0.00 0.00 -0.01 -0.02 -0.02 0.02 -0.01 -0.01 0.02 0.01 -0.00 -0.01 -0.07 -0.05 0.07 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.18 -0.00 -0.04 -0.04 0.10 0.10 0.01 -0.01 0.00 -0.06 -0.06 0.12 -0.06 0.15 -0.03 -0.01 0.00 -0.01 0.10 0.03 0.02 -0.06 -0.01 0.11 0.00 0.00 0.00 -0.01 -0.03 0.01 -0.00 -0.00 -0.03 0.00 -0.00 -0.00 0.00 -0.04 -0.01 -0.00 0.04 0.07 -0.00 0.00 0.00 0.02 -0.02 -0.02 0.02 0.03 0.01 0.00 -0.01 -0.00 -0.10 0.06 0.09 -0.04 0.00 0.02 -0.02 -0.03 -0.04 -0.01 0.00 -0.03 0.02 0.01 0.03 -0.02 -0.02 -0.03 -0.02 -0.00 -0.01 0.01 -0.01 0.05 0.03 0.03 -0.03 -0.03 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.10 0.00 0.01 0.01 -0.01 0.02 0.01 0.14 -0.05 0.11 -0.01 0.01 0.01 -0.00 0.00 0.00 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.02 0.02 -0.00 0.07 0.00 -0.02 0.04 0.03 0.03 -0.23 -0.36 -0.23 -0.27 0.28 0.17 -0.00 -0.00 -0.00 0.02 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.04 -0.00 0.01 -0.01 -0.00 -0.03 -0.00 0.00 -0.00 0.01 0.01 -0.02 0.01 -0.02 0.00 0.00 0.00 -0.01 0.15 0.03 0.04 -0.14 0.08 0.10 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 -0.21 -0.06 -0.20 -0.07 -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.03 0.01 0.05 0.39 -0.15 0.09 0.08 -0.05 -0.22 -0.19 -0.27 -0.02 -0.04 -0.04 0.01 0.03 0.14 0.02 -0.08 -0.12 -0.16 0.04 -0.05 0.07 -0.00 0.19 0.07 0.01 -0.13 0.10 0.05 0.07 0.02 0.12 -0.08 0.00 -0.00 0.01 0.04 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.12 -0.04 -0.04 0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.02 0.08 -0.06 0.00 -0.00 0.01 0.00 -0.04 -0.00 0.01 -0.01 0.01 -0.10 0.13 -0.03 -0.04 -0.13 -0.12 -0.03 -0.02 -0.02 0.16 0.26 0.21 0.24 -0.17 -0.20 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.00 -0.02 -0.00 0.00 -0.01 0.03 -0.02 0.00 0.01 -0.01 0.03 0.00 -0.01 -0.00 -0.00 -0.01 0.07 -0.01 0.09 -0.01 0.00 -0.01 -0.01 0.04 0.09 -0.03 -0.07 0.02 0.06 0.00 0.00 0.00 -0.03 -0.06 0.01 -0.01 -0.00 -0.05 -0.01 0.00 0.01 0.07 0.12 0.15 -0.03 -0.05 -0.07 -0.00 0.01 0.02 -0.02 0.02 0.02 -0.08 0.02 -0.05 0.00 0.02 -0.01 -0.06 -0.23 0.13 0.29 0.29 -0.25 0.11 0.12 0.20 -0.01 -0.02 -0.00 0.10 -0.05 0.01 -0.06 -0.13 0.07 0.13 -0.03 -0.14 -0.09 0.06 0.05 -0.05 0.17 0.02 0.02 -0.02 -0.01 -0.04 -0.13 0.10 -0.00 0.01 0.01 0.08 -0.06 -0.28 -0.00 0.01 0.00 -0.02 0.02 0.00 -0.06 -0.26 0.12 -0.02 0.04 0.03 -0.00 0.00 -0.00 -0.02 0.05 0.02 0.00 0.01 -0.00 -0.01 0.06 0.02 -0.00 -0.01 -0.00 0.03 -0.07 0.02 -0.01 0.04 0.07 -0.01 0.00 -0.02 0.04 0.07 0.11 0.09 -0.07 -0.07 0.00 -0.00 -0.00 0.01 0.00 0.02 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.04 0.00 -0.06 0.01 0.02 -0.02 -0.01 0.16 0.32 -0.07 -0.27 0.14 0.25 -0.00 -0.00 -0.00 0.03 0.01 0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.02 -0.04 0.02 -0.01 0.05 0.08 0.00 -0.01 -0.00 0.02 -0.03 -0.03 -0.00 0.07 -0.04 -0.03 0.00 0.00 0.24 -0.27 -0.24 0.10 0.02 -0.00 -0.01 0.11 0.27 -0.03 -0.06 -0.06 0.06 0.14 -0.04 -0.12 0.20 -0.08 -0.03 -0.16 0.04 -0.05 -0.14 0.00 0.20 0.02 0.06 -0.02 -0.06 -0.06 0.03 0.09 -0.08 0.00 0.01 0.01 0.07 -0.05 -0.26 0.00 0.01 0.01 -0.02 0.02 0.01 -0.07 -0.23 0.10 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.03 0.06 0.00 -0.01 -0.01 0.01 -0.05 -0.02 -0.01 -0.01 -0.01 0.06 -0.16 0.04 0.08 0.11 0.11 -0.00 -0.00 -0.02 0.06 0.09 0.14 0.11 -0.08 -0.08 0.00 -0.01 -0.00 -0.00 -0.01 -0.05 -0.05 0.02 0.03 0.00 -0.00 0.00 0.01 0.02 -0.02 -0.02 0.04 -0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.06 0.00 -0.07 0.01 0.02 -0.01 -0.01 0.12 0.27 -0.06 -0.22 0.12 0.19 0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.03 -0.00 -0.02 -0.01 0.01 0.01 -0.05 0.20 -0.01 0.13 -0.07 -0.16 -0.01 0.00 0.00 0.03 -0.04 -0.03 0.13 -0.00 0.13 -0.02 -0.00 0.00 0.22 -0.15 -0.23 0.04 0.03 0.11 -0.08 0.06 0.20 -0.02 -0.04 -0.01 0.05 0.01 -0.01 -0.05 -0.00 0.00 0.04 -0.05 -0.04 -0.05 -0.01 0.03 0.04 0.07 0.02 0.03 0.00 0.01 -0.01 -0.02 0.01 0.01 -0.02 -0.01 -0.17 0.09 0.45 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.02 0.41 -0.26 -0.01 0.00 0.01 -0.00 0.00 0.00 0.02 -0.04 -0.05 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.03 -0.02 0.01 0.08 0.01 -0.01 -0.00 -0.02 0.02 0.07 0.08 0.01 0.09 0.03 -0.12 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.03 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.00 -0.04 0.00 -0.01 0.01 -0.01 0.05 -0.23 0.09 0.10 -0.08 -0.06 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.08 -0.04 0.12 -0.26 -0.16 -0.23 -0.00 -0.00 -0.00 0.02 -0.02 -0.02 0.04 0.03 0.03 0.01 0.01 -0.01 -0.25 0.12 0.26 0.06 0.02 0.02 0.08 -0.04 -0.17 0.00 0.01 -0.01 0.02 0.01 0.01 -0.02 -0.01 -0.01 -0.01 -0.02 -0.04 -0.02 -0.00 0.03 0.04 0.02 -0.01 -0.03 -0.02 -0.03 0.01 0.02 -0.02 -0.00 -0.01 -0.01 -0.08 0.02 0.12 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.11 0.14 -0.02 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.11 -0.15 0.04 -0.06 0.11 0.17 -0.00 0.01 -0.01 -0.06 -0.07 -0.17 -0.20 -0.07 0.27 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.02 -0.09 0.03 0.06 -0.03 -0.06 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.03 -0.01 -0.18 0.03 -0.28 0.47 0.30 0.40 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.02 0.00 0.01 0.01 -0.00 -0.13 -0.09 0.18 0.03 0.08 -0.02 0.16 0.04 -0.02 0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.01 -0.02 -0.02 0.00 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.48 -0.47 0.18 0.00 -0.00 -0.00 -0.02 0.00 0.03 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 0.03 -0.01 -0.01 0.04 0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 0.01 -0.00 -0.05 0.51 0.22 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.01 0.03 0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 0.02 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.03 -0.02 0.18 0.15 0.00 0.27 0.03 0.22 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.02 0.01 0.01 -0.01 0.00 -0.01 -0.06 0.05 -0.00 -0.02 -0.04 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.02 0.00 0.02 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.02 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.01 0.02 0.02 0.00 -0.01 -0.02 -0.02 -0.00 0.06 0.02 0.03 0.07 0.00 0.03 0.01 -0.02 0.00 -0.29 0.05 0.36 -0.00 0.01 0.01 -0.03 0.03 0.01 0.08 0.41 -0.19 -0.02 0.03 0.03 -0.01 0.00 0.00 0.03 -0.08 -0.12 -0.00 0.00 -0.00 0.00 -0.05 -0.04 0.00 0.00 0.00 -0.05 0.02 0.00 -0.02 -0.02 -0.02 0.00 -0.01 0.00 -0.01 -0.03 -0.06 -0.04 0.03 0.03 -0.00 -0.00 -0.00 0.04 0.03 0.04 0.04 -0.05 -0.02 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 0.02 -0.01 -0.02 0.22 0.14 0.00 -0.18 0.05 0.25 0.00 0.00 0.00 -0.02 -0.02 -0.00 -0.02 -0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.04 0.03 0.04 0.00 0.00 0.00 -0.01 0.01 0.01 -0.03 -0.00 -0.03 -0.03 0.00 0.01 0.35 -0.19 -0.38 -0.02 -0.01 -0.00 0.00 0.06 0.13 -0.03 -0.07 -0.07 0.01 0.01 -0.00 -0.02 0.02 -0.01 0.02 -0.02 -0.01 -0.02 -0.01 -0.00 0.00 0.02 0.03 0.03 0.07 0.08 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.08 -0.01 0.06 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.01 -0.02 -0.07 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.01 0.03 -0.30 0.53 -0.13 -0.15 -0.40 -0.43 -0.00 0.01 0.00 -0.05 -0.06 -0.07 -0.07 0.02 0.06 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.08 -0.14 0.07 -0.00 -0.00 -0.00 0.04 0.03 0.03 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.01 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.02 -0.02 0.07 0.19 0.15 0.18 0.11 0.14 0.00 -0.00 -0.00 -0.02 0.01 -0.01 0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.03 0.01 0.04 0.08 -0.08 0.03 0.04 -0.01 -0.04 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.01 -0.04 0.06 0.03 -0.02 0.06 -0.06 0.00 0.00 0.00 -0.13 -0.03 -0.11 0.00 -0.00 0.00 -0.05 0.03 -0.01 0.07 -0.02 0.06 0.05 -0.01 -0.02 -0.00 -0.00 -0.01 0.03 -0.10 -0.05 -0.00 -0.00 0.00 0.00 -0.02 0.03 0.00 0.00 -0.00 -0.03 -0.03 0.02 -0.00 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.01 0.03 0.02 -0.01 -0.01 -0.02 0.01 -0.01 0.16 0.19 0.54 0.39 -0.44 -0.22 -0.00 -0.00 -0.00 0.02 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.02 0.01 0.03 0.01 0.03 -0.00 0.00 0.00 0.01 -0.04 -0.02 -0.00 0.02 0.01 -0.05 -0.00 0.00 -0.00 -0.00 -0.03 0.01 0.01 0.00 -0.02 0.00 0.00 -0.00 0.02 0.00 0.03 -0.02 -0.01 -0.01 -0.00 0.01 0.01 -0.08 0.07 0.05 -0.26 0.05 -0.24 0.00 -0.00 -0.00 -0.04 0.02 0.04 -0.04 0.06 0.02 -0.00 -0.01 -0.01 -0.00 -0.04 0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.01 0.01 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.01 0.00 0.26 -0.47 0.52 -0.00 0.00 -0.00 -0.00 -0.01 -0.05 0.01 -0.01 -0.01 -0.02 -0.03 -0.12 0.01 -0.04 0.03 -0.07 0.25 0.15 0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.01 0.03 -0.01 0.01 -0.14 -0.06 0.00 -0.00 0.00 -0.04 0.01 0.01 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.02 0.03 0.10 -0.02 -0.12 0.04 0.00 -0.00 0.00 -0.02 0.02 -0.00 -0.01 0.03 -0.03 -0.00 0.01 0.01 -0.06 -0.04 -0.07 -0.02 -0.08 0.00 -0.00 0.01 0.01 -0.03 -0.06 0.02 0.05 -0.02 -0.04 0.01 0.01 0.01 -0.03 -0.04 0.00 -0.25 -0.04 -0.12 -0.00 -0.00 -0.00 0.02 0.03 0.03 0.01 0.01 0.02 -0.00 -0.00 0.01 0.14 -0.15 -0.15 0.08 0.25 -0.02 -0.00 0.00 0.00 0.00 -0.01 0.00 0.02 -0.00 -0.00 0.05 -0.00 -0.04 -0.00 0.02 -0.13 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 0.01 -0.10 0.01 -0.01 0.10 -0.05 0.09 -0.01 0.00 -0.01 0.61 0.11 0.32 0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.31 -0.05 -0.17 -0.05 0.04 0.04 0.01 -0.02 -0.01 -0.08 0.22 0.24 -0.01 0.00 -0.00 -0.00 -0.03 -0.08 -0.00 0.00 0.01 0.15 0.07 -0.06 -0.06 -0.04 -0.03 0.01 0.00 0.01 -0.00 -0.02 -0.08 -0.03 0.05 0.02 -0.00 0.00 -0.00 -0.02 0.00 0.14 0.11 -0.06 -0.06 -0.00 0.00 -0.01 -0.01 -0.02 0.02 0.05 -0.09 0.04 -0.00 -0.01 -0.00 0.08 0.05 0.06 0.01 0.05 -0.00 -0.01 0.00 -0.01 0.08 -0.01 0.02 0.00 -0.09 0.13 -0.00 0.00 0.00 -0.03 -0.01 -0.00 0.06 0.01 0.01 0.00 0.00 0.01 -0.06 -0.06 -0.11 0.02 0.00 0.01 0.00 0.00 0.00 -0.09 0.10 0.08 -0.12 -0.11 -0.07 -0.01 -0.00 0.00 0.04 -0.02 -0.05 -0.00 0.02 0.01 0.03 -0.00 -0.02 -0.00 0.01 -0.06 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.03 -0.00 -0.01 -0.30 0.12 -0.24 -0.01 -0.00 -0.00 0.22 0.05 0.14 -0.01 0.01 0.01 -0.05 0.03 0.00 -0.09 0.01 -0.06 0.12 -0.09 -0.09 0.00 -0.01 -0.00 -0.02 0.05 0.07 0.02 -0.00 0.00 0.02 0.08 0.24 0.00 -0.00 0.00 -0.02 0.03 -0.01 0.00 -0.03 -0.03 0.01 0.00 0.00 -0.02 -0.03 -0.04 -0.02 0.03 0.01 0.00 0.00 -0.00 0.05 0.04 0.05 0.01 -0.09 0.01 0.01 0.00 0.01 -0.05 0.03 -0.00 -0.03 0.04 -0.07 -0.00 0.02 0.01 -0.14 -0.08 -0.12 -0.04 -0.12 0.00 -0.00 -0.00 -0.01 0.03 0.05 -0.02 -0.02 -0.02 0.07 0.01 -0.01 -0.01 0.08 0.00 0.02 -0.26 -0.05 -0.09 -0.00 -0.00 -0.00 0.01 0.03 0.02 0.03 0.02 0.02 -0.01 -0.01 0.01 0.26 -0.28 -0.23 0.09 0.48 -0.09 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.02 -0.00 -0.04 0.00 0.03 -0.01 -0.05 0.12 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.04 -0.05 0.00 0.02 -0.01 -0.00 0.01 -0.00 0.12 0.01 -0.01 0.00 0.00 0.00 0.02 0.01 0.06 -0.05 -0.07 0.01 -0.05 -0.03 0.00 0.01 0.01 -0.00 0.01 -0.01 0.05 0.00 -0.00 0.00 -0.01 0.04 -0.04 -0.00 -0.02 -0.01 -0.20 -0.14 0.10 0.21 0.08 0.03 -0.01 0.00 0.01 -0.03 -0.02 -0.08 0.01 0.09 -0.08 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 0.09 0.08 -0.07 0.01 -0.01 0.01 0.02 0.03 -0.02 -0.17 0.29 -0.18 0.01 0.00 -0.01 -0.17 -0.13 -0.06 0.04 0.03 0.01 -0.01 0.01 -0.00 0.10 -0.11 0.08 -0.02 -0.00 0.04 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.04 0.01 0.01 -0.01 -0.02 -0.02 0.20 0.30 0.38 0.12 0.09 0.13 -0.00 0.01 -0.01 0.07 -0.03 0.23 -0.06 -0.10 -0.02 -0.02 0.00 0.01 0.08 -0.02 -0.09 -0.02 0.03 -0.00 0.27 -0.05 -0.28 -0.01 -0.01 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.05 0.00 0.01 -0.04 0.07 -0.08 0.01 0.00 0.01 -0.11 -0.04 -0.16 0.00 0.00 0.01 -0.03 0.02 -0.01 -0.09 -0.10 -0.00 0.02 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.04 -0.00 0.00 -0.01 0.00 0.00 0.01 0.02 -0.00 0.01 -0.01 0.09 -0.01 -0.02 -0.18 0.01 0.07 -0.02 -0.01 0.01 0.06 0.10 -0.01 0.06 -0.02 -0.06 0.00 0.00 -0.00 0.02 0.01 -0.00 -0.08 -0.06 0.07 -0.01 0.01 -0.01 0.01 -0.02 0.01 0.13 -0.22 0.15 -0.00 -0.00 0.01 0.14 0.11 0.05 -0.04 -0.04 -0.01 -0.00 0.01 0.00 0.15 -0.19 0.13 -0.05 0.04 0.04 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.03 0.01 0.01 0.01 0.00 0.00 -0.02 -0.07 -0.04 -0.06 -0.01 -0.00 0.00 -0.01 0.01 -0.08 0.03 -0.25 0.05 0.13 -0.01 -0.03 0.01 0.02 0.13 -0.07 -0.14 0.01 -0.02 -0.00 0.50 -0.07 -0.48 -0.02 -0.05 -0.02 0.00 0.00 0.01 -0.00 0.02 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.05 0.02 0.03 -0.07 -0.08 0.03 0.01 -0.00 0.01 -0.15 -0.03 -0.09 -0.01 -0.00 -0.01 0.07 -0.02 0.13 -0.03 -0.02 -0.01 -0.09 -0.07 -0.01 -0.00 -0.00 0.00 -0.02 0.05 -0.01 0.01 0.01 -0.00 0.00 0.06 0.04 0.00 0.00 0.01 0.11 0.12 -0.06 -0.04 -0.07 -0.07 -0.00 -0.00 -0.00 0.04 0.07 0.03 0.01 -0.09 0.05 -0.00 -0.01 0.02 -0.10 -0.09 -0.12 0.19 0.30 -0.17 0.01 0.00 -0.00 -0.06 0.01 0.01 0.01 -0.02 -0.03 -0.01 0.00 -0.01 -0.10 -0.07 -0.02 0.05 0.06 0.01 0.00 0.00 0.00 0.03 -0.05 0.03 -0.02 0.03 -0.01 0.01 -0.01 0.00 0.03 0.01 0.00 -0.27 -0.05 -0.08 0.00 0.01 0.02 -0.14 -0.16 -0.25 -0.03 -0.06 -0.09 0.00 0.00 -0.00 0.23 -0.14 0.43 -0.26 0.03 -0.26 -0.01 0.00 0.00 0.03 -0.03 -0.02 -0.02 0.04 0.01 0.12 -0.01 -0.10 -0.00 0.04 -0.05 -0.01 0.00 0.01 -0.00 0.02 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.02 0.01 -0.01 -0.04 -0.04 -0.02 -0.06 0.04 0.00 -0.00 -0.00 -0.01 0.01 0.03 -0.00 -0.00 -0.00 0.03 -0.01 0.05 -0.01 0.02 -0.02 -0.03 -0.02 -0.00 0.00 0.01 0.00 0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 0.01 0.02 0.00 0.01 -0.03 -0.08 -0.18 0.07 -0.30 0.11 0.23 0.01 0.00 0.01 -0.06 -0.09 -0.04 0.02 0.16 -0.12 0.00 -0.00 0.01 -0.05 -0.05 -0.17 0.00 0.19 -0.03 -0.01 0.01 -0.01 0.06 -0.01 -0.01 0.16 -0.26 0.22 -0.01 -0.00 -0.00 0.16 0.12 0.07 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.04 0.05 -0.03 0.01 -0.00 -0.02 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.13 -0.02 -0.05 0.00 -0.02 -0.02 0.20 0.13 0.34 -0.06 0.08 0.16 0.02 -0.02 0.01 -0.04 0.03 -0.01 -0.25 0.15 -0.30 0.01 -0.01 -0.01 -0.04 0.06 0.04 -0.03 0.04 0.01 -0.15 0.01 0.12 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 -0.01 0.01 0.02 0.03 0.02 0.14 0.09 -0.01 0.02 -0.00 0.01 -0.18 -0.03 -0.07 0.00 0.00 0.00 0.15 -0.08 0.08 -0.19 -0.01 -0.11 -0.20 -0.08 0.04 0.00 -0.00 -0.01 -0.03 0.09 0.05 -0.01 -0.02 0.01 -0.07 0.21 -0.35 0.00 -0.00 0.01 0.00 0.04 -0.01 0.05 -0.03 -0.05 0.01 0.00 0.00 -0.01 -0.03 -0.04 -0.02 0.03 0.01 0.00 0.01 -0.00 -0.17 -0.10 0.05 0.03 0.09 -0.03 0.01 -0.00 0.00 -0.02 0.01 -0.00 -0.06 0.10 -0.08 0.00 0.01 0.01 -0.08 -0.06 -0.06 -0.03 -0.06 -0.00 0.00 -0.01 0.01 -0.02 0.01 -0.01 -0.01 0.03 -0.04 -0.01 0.01 0.00 -0.07 -0.11 0.01 0.43 0.07 0.09 -0.00 -0.00 0.00 -0.02 0.00 -0.04 0.04 0.01 0.00 -0.01 -0.02 0.02 -0.00 -0.06 -0.26 -0.10 0.35 -0.21 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.02 0.00 -0.06 0.01 0.06 0.03 0.14 -0.12 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.09 -0.04 -0.04 0.05 0.02 0.01 -0.04 0.00 -0.02 0.37 0.06 0.15 0.01 -0.00 -0.00 -0.02 0.03 0.05 0.56 0.06 0.32 -0.04 -0.01 0.01 -0.00 0.01 0.02 0.07 -0.20 -0.09 -0.00 -0.00 0.00 -0.02 0.05 -0.10 0.00 -0.00 0.00 -0.03 0.01 0.01 0.05 -0.00 -0.02 -0.02 -0.00 -0.02 0.04 0.08 0.14 0.02 -0.17 0.06 -0.01 -0.00 0.01 0.09 0.04 -0.19 -0.02 0.09 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.03 0.05 -0.03 0.00 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.02 -0.00 -0.01 0.01 -0.00 0.04 -0.04 0.03 0.02 -0.05 0.05 -0.00 0.00 -0.00 -0.02 -0.04 0.01 0.14 0.02 0.03 0.00 0.01 0.00 -0.02 -0.05 -0.05 -0.06 -0.06 -0.09 0.01 -0.01 0.01 -0.07 0.03 -0.13 -0.17 0.17 -0.22 -0.00 0.01 0.00 0.03 -0.05 -0.02 -0.01 0.03 0.00 0.08 0.01 -0.04 -0.01 -0.04 -0.05 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.02 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.07 0.02 -0.00 0.04 0.05 -0.02 -0.01 0.00 -0.01 0.10 0.02 0.05 0.00 0.00 0.00 0.10 -0.04 0.08 0.20 0.03 0.11 -0.13 -0.07 0.02 0.00 0.00 -0.00 0.03 -0.07 -0.00 -0.00 -0.01 0.01 -0.04 0.16 -0.20 0.00 0.01 -0.01 0.01 -0.04 0.01 -0.29 0.02 0.12 -0.01 -0.00 -0.00 0.00 0.01 0.04 0.03 0.00 -0.04 -0.01 0.00 -0.01 -0.06 -0.01 0.20 0.17 -0.03 -0.12 0.00 0.01 -0.01 -0.03 0.02 -0.00 0.16 -0.26 0.15 -0.01 0.01 -0.00 -0.10 -0.06 -0.04 0.00 0.02 0.00 -0.00 -0.00 0.00 0.02 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.03 -0.03 0.00 0.15 0.03 0.04 0.01 -0.00 -0.00 0.05 -0.02 0.07 -0.09 0.00 0.03 -0.04 0.02 -0.02 0.33 -0.28 0.22 0.30 -0.02 0.30 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.03 -0.06 -0.00 0.00 0.00 0.00 0.01 0.08 -0.09 -0.09 -0.04 0.07 -0.03 0.21 -0.09 0.18 -0.07 -0.12 0.07 0.03 0.22 -0.20 -0.16 -0.05 0.00 -0.02 -0.02 0.07 -0.03 0.05 0.00 0.00 0.00 0.03 0.00 -0.00 0.01 -0.00 0.00 -0.09 0.03 -0.10 -0.07 -0.02 -0.03 0.05 0.10 0.04 -0.00 0.00 0.00 0.01 -0.03 -0.02 -0.01 -0.01 -0.00 -0.01 -0.02 -0.05 0.02 0.01 -0.01 -0.11 -0.04 0.05 -0.36 -0.00 0.14 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.03 0.00 0.00 -0.01 0.12 0.08 0.01 -0.14 -0.17 0.12 0.01 0.00 0.01 -0.05 0.04 -0.01 -0.08 0.13 -0.12 0.01 0.01 0.00 -0.31 -0.23 -0.12 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.02 -0.03 0.00 0.21 0.04 0.06 0.01 -0.00 0.00 -0.02 -0.09 -0.05 -0.07 -0.00 0.02 -0.01 0.01 -0.02 0.13 -0.11 -0.01 0.20 -0.02 0.19 0.00 -0.00 -0.00 -0.02 0.02 0.02 -0.16 -0.18 -0.06 -0.03 -0.00 0.02 -0.02 -0.08 -0.00 0.01 0.00 -0.01 0.00 -0.02 0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.02 0.03 0.02 0.01 0.09 -0.07 -0.03 0.09 0.00 0.04 0.01 0.01 0.01 0.01 -0.00 -0.03 0.01 -0.00 -0.01 -0.25 0.18 0.02 -0.24 -0.07 -0.10 0.13 0.08 -0.01 -0.01 -0.00 0.01 0.01 -0.05 -0.10 -0.01 -0.00 0.00 0.00 -0.07 -0.03 0.02 0.00 -0.00 -0.18 0.01 0.05 -0.22 -0.02 0.06 0.01 0.00 0.00 -0.00 -0.01 -0.03 0.00 0.04 -0.02 -0.01 -0.01 0.01 0.40 0.23 -0.32 -0.00 -0.03 0.01 0.01 0.01 0.00 -0.02 0.02 -0.01 0.02 -0.03 0.00 0.00 0.00 -0.00 -0.17 -0.13 -0.06 0.01 0.02 0.00 -0.00 0.01 0.00 -0.04 -0.03 0.01 0.07 -0.04 -0.02 -0.01 0.01 -0.01 -0.02 -0.06 0.01 0.33 0.06 0.08 0.01 0.00 0.00 -0.05 -0.09 -0.10 -0.03 0.00 0.02 -0.01 0.00 -0.00 0.11 -0.09 0.16 -0.08 0.05 -0.09 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.03 0.02 0.01 -0.03 0.00 0.03 -0.07 -0.28 0.04 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.02 -0.02 -0.01 -0.01 0.08 0.01 0.05 0.04 -0.00 0.02 0.00 -0.00 -0.00 -0.07 -0.01 -0.01 0.01 -0.00 -0.00 -0.12 0.11 0.06 0.09 0.02 0.04 0.03 0.02 -0.00 -0.02 -0.01 0.00 -0.05 0.09 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.05 -0.04 -0.00 0.01 0.63 0.05 -0.19 0.38 0.01 -0.14 -0.00 -0.00 0.00 -0.02 -0.03 -0.01 0.04 0.10 -0.12 -0.01 -0.01 0.01 0.18 0.10 -0.12 0.06 -0.00 -0.04 -0.00 0.00 -0.01 -0.05 -0.03 0.03 0.08 -0.14 0.07 -0.01 0.00 -0.00 0.11 0.09 0.04 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.04 0.02 0.04 -0.02 -0.02 -0.00 0.00 -0.00 -0.01 -0.03 0.01 0.11 0.02 0.03 -0.01 -0.01 -0.00 0.08 0.18 0.18 0.11 0.04 0.04 -0.01 0.00 -0.00 0.14 -0.12 0.07 0.03 0.08 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.03 -0.01 -0.00 -0.04 0.01 0.04 -0.04 -0.16 -0.02 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.02 0.02 0.01 0.01 -0.01 0.04 0.03 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.04 -0.00 0.02 -0.01 0.00 0.00 0.02 -0.10 -0.25 0.18 0.07 0.07 0.17 0.12 -0.01 -0.00 -0.00 -0.00 -0.04 0.10 0.07 -0.00 0.00 -0.01 0.05 -0.24 0.21 -0.00 0.00 0.00 0.32 0.06 -0.11 -0.26 -0.05 0.04 -0.01 -0.00 0.00 -0.00 0.00 0.02 0.04 0.05 -0.09 0.02 0.01 -0.00 -0.20 -0.13 0.11 -0.20 -0.06 0.16 0.01 0.00 0.00 -0.09 0.02 0.01 -0.01 0.01 -0.06 0.01 0.00 0.00 -0.30 -0.23 -0.10 0.01 0.04 -0.00 0.00 -0.01 -0.01 -0.01 0.09 -0.04 -0.05 0.03 0.02 -0.01 0.01 -0.01 0.00 -0.03 0.01 0.25 0.05 0.07 0.00 -0.01 -0.00 0.05 0.04 0.09 -0.03 0.02 0.04 0.01 0.00 -0.00 0.00 0.02 0.12 -0.16 -0.01 -0.15 -0.00 -0.00 0.00 -0.00 0.02 0.00 0.04 0.04 -0.00 0.05 -0.02 -0.07 0.04 0.10 0.16 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.03 -0.01 -0.02 0.04 -0.01 0.03 0.00 -0.00 0.00 0.02 0.01 0.02 -0.01 -0.00 -0.00 0.02 -0.07 -0.16 -0.07 0.01 -0.05 0.13 0.08 -0.01 0.01 0.00 -0.00 0.01 -0.02 0.02 -0.01 0.00 -0.01 0.04 -0.18 0.13 -0.01 0.00 -0.01 -0.28 -0.09 0.10 0.38 0.08 -0.06 0.00 0.00 -0.01 0.02 0.03 -0.02 -0.10 -0.19 0.25 0.01 0.00 0.00 -0.10 -0.06 0.05 -0.07 -0.00 0.05 -0.01 0.00 -0.00 0.06 -0.01 -0.01 0.11 -0.18 0.16 -0.02 -0.00 -0.01 0.20 0.16 0.07 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.06 0.17 -0.09 -0.04 0.02 0.03 -0.01 0.01 -0.01 -0.00 -0.05 0.02 0.29 0.06 0.07 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.04 -0.08 -0.01 0.00 -0.01 0.24 -0.19 0.21 -0.03 0.13 -0.08 -0.00 -0.00 0.01 -0.01 -0.01 0.02 -0.03 0.00 -0.00 0.09 -0.02 -0.09 0.04 0.09 0.15 -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 0.03 -0.01 -0.00 -0.01 0.01 -0.02 0.01 -0.00 -0.00 -0.08 -0.02 -0.04 0.01 0.00 0.00 -0.07 0.07 0.05 -0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.00 -0.01 -0.01 -0.08 0.23 0.16 0.00 -0.00 0.00 -0.01 0.05 -0.03 -0.01 0.00 -0.01 0.08 -0.02 -0.02 -0.06 0.02 0.03 0.01 0.01 -0.02 0.01 0.02 -0.02 -0.25 -0.41 0.57 0.00 -0.00 -0.00 0.02 0.01 -0.00 -0.01 -0.02 0.01 0.00 0.01 -0.00 -0.03 0.02 -0.00 0.05 -0.07 0.03 0.01 0.00 0.00 -0.17 -0.13 -0.06 -0.01 0.02 -0.00 -0.00 0.01 0.00 0.06 -0.15 0.08 0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.07 -0.01 -0.02 0.01 0.01 -0.02 0.18 0.09 0.27 -0.18 -0.07 -0.11 0.01 0.00 0.00 -0.08 0.06 -0.05 -0.02 -0.05 0.00 0.00 0.01 -0.01 0.02 -0.08 -0.00 0.00 -0.00 0.00 -0.05 0.04 0.10 -0.05 -0.13 -0.09 0.02 -0.03 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.02 -0.00 0.01 0.06 -0.11 0.12 -0.00 -0.01 0.00 -0.01 0.01 0.05 -0.01 -0.00 -0.02 0.02 0.05 0.20 -0.01 0.06 -0.04 0.02 -0.17 -0.11 -0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.01 0.02 -0.00 0.03 -0.14 0.08 0.00 -0.00 0.00 0.12 0.03 -0.04 -0.14 -0.02 0.03 -0.00 0.00 -0.00 0.01 0.02 -0.02 -0.04 -0.09 0.11 -0.01 -0.01 0.01 0.07 0.04 -0.08 0.31 0.18 -0.25 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.05 0.09 -0.06 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 0.02 -0.02 -0.00 -0.25 0.45 -0.26 -0.03 0.01 0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.06 0.01 0.02 0.00 0.00 -0.01 0.06 0.02 0.09 -0.06 -0.01 -0.01 -0.01 -0.01 0.01 -0.11 0.05 -0.21 0.12 0.00 0.12 -0.00 -0.01 0.02 -0.04 0.04 0.05 -0.02 -0.04 0.01 0.17 -0.06 -0.22 0.04 0.03 0.18 -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 0.02 -0.01 0.00 0.00 0.06 -0.05 -0.00 -0.00 0.01 0.04 0.01 0.04 0.01 -0.00 0.01 0.03 -0.06 -0.15 -0.08 0.02 -0.06 -0.04 0.05 0.05 -0.01 0.00 0.01 0.03 -0.11 -0.09 -0.00 -0.02 0.02 -0.09 0.37 -0.36 -0.01 0.00 -0.00 0.08 -0.00 -0.02 0.07 0.01 -0.02 -0.00 0.00 0.00 0.01 0.01 -0.02 -0.02 -0.04 0.06 -0.00 0.01 -0.00 0.17 0.12 -0.06 -0.24 -0.21 0.19 0.00 0.01 -0.00 -0.03 0.01 0.00 0.07 -0.10 0.05 0.01 0.00 -0.00 -0.13 -0.10 -0.04 0.01 0.03 -0.00 0.01 -0.02 0.00 -0.21 0.36 -0.21 -0.02 0.00 0.02 0.01 -0.01 0.01 -0.01 0.03 -0.01 -0.25 -0.05 -0.08 -0.00 0.00 -0.00 0.02 0.02 0.03 -0.01 -0.01 -0.02 0.01 0.01 -0.01 -0.01 0.04 0.10 -0.10 -0.06 -0.08 0.00 -0.01 0.01 -0.03 0.04 0.04 0.01 0.03 -0.00 0.13 -0.05 -0.18 0.06 0.12 0.03 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.02 0.00 0.01 0.01 0.03 -0.03 0.00 -0.00 -0.00 -0.04 -0.01 0.00 0.00 -0.00 0.00 -0.04 0.01 -0.08 0.04 0.02 0.01 0.03 0.07 0.02 -0.00 -0.01 -0.00 -0.04 0.11 0.07 -0.00 -0.01 0.01 -0.03 0.10 -0.11 0.01 -0.01 0.00 0.11 0.05 -0.05 -0.35 -0.06 0.08 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.04 -0.07 0.09 0.00 0.00 -0.00 0.04 0.02 0.00 -0.10 -0.09 0.09 -0.01 -0.02 0.00 0.07 -0.05 0.01 -0.25 0.40 -0.23 -0.02 -0.00 -0.01 0.44 0.34 0.16 0.03 -0.05 0.01 0.00 -0.00 0.00 -0.03 0.04 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.05 0.01 0.08 -0.08 -0.01 0.00 -0.01 0.00 -0.01 0.19 -0.14 0.19 0.01 0.06 -0.02 0.00 0.00 0.00 -0.01 -0.01 0.01 0.04 0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.03 0.01 -0.41 0.42 0.21 0.05 -0.12 0.03 0.12 -0.06 -0.08 0.00 -0.04 -0.09 0.03 -0.03 0.02 0.01 0.00 0.01 -0.00 -0.12 0.11 0.00 0.00 0.00 0.04 0.01 -0.00 -0.01 -0.00 -0.01 0.06 -0.04 0.04 -0.09 -0.03 -0.03 -0.02 -0.01 0.01 -0.00 0.00 0.01 0.05 -0.15 -0.12 0.01 0.00 -0.01 0.03 -0.11 0.13 0.00 0.00 -0.00 0.09 0.02 -0.03 -0.13 -0.02 0.03 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.03 -0.04 0.06 -0.01 -0.00 0.01 0.05 0.03 -0.04 0.17 0.10 -0.13 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.05 0.08 -0.05 -0.00 0.00 0.00 0.07 0.05 0.02 -0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.07 0.01 0.02 0.01 -0.01 0.01 -0.01 0.05 -0.00 -0.02 -0.05 -0.10 -0.01 -0.00 0.00 0.03 -0.05 -0.13 0.15 0.03 0.14 0.01 0.00 0.01 0.02 0.03 -0.04 0.41 0.21 -0.14 -0.02 -0.02 -0.03 0.04 0.11 0.02 -0.03 0.04 -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 -0.01 -0.02 -0.03 0.03 -0.02 0.04 -0.00 -0.02 -0.01 -0.14 -0.02 0.02 0.01 0.01 -0.01 -0.18 0.17 0.11 0.29 0.12 0.09 0.06 -0.01 -0.04 0.01 -0.02 -0.02 -0.17 0.50 0.39 -0.00 -0.00 0.01 -0.03 0.10 -0.12 0.01 0.00 -0.00 -0.27 -0.03 0.08 0.07 0.02 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.04 0.08 0.10 -0.16 0.02 -0.00 -0.01 -0.09 -0.06 0.07 -0.04 -0.02 0.04 -0.00 0.00 0.00 0.02 0.01 -0.01 0.03 -0.05 0.04 0.00 0.00 0.00 -0.02 -0.02 -0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.13 0.15 -0.10 0.04 -0.03 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.04 -0.01 -0.01 -0.00 -0.00 0.01 -0.07 -0.05 -0.11 0.05 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.01 0.04 0.01 -0.01 -0.01 0.00 0.04 -0.02 -0.07 -0.08 -0.30 0.02 0.04 -0.19 0.27 -0.01 0.08 -0.04 0.01 0.01 -0.02 -0.04 -0.00 -0.13 -0.03 -0.01 0.05 0.01 -0.01 -0.01 0.04 -0.03 0.04 0.00 -0.00 -0.00 -0.03 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.02 0.06 0.03 0.01 0.01 0.04 -0.09 -0.07 0.00 -0.00 -0.00 -0.03 0.08 0.06 -0.01 0.01 0.01 -0.01 0.02 -0.06 -0.01 0.01 -0.00 -0.04 -0.08 0.04 0.15 0.04 -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 0.04 0.03 -0.01 0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.06 0.04 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.03 0.02 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.04 0.07 -0.03 0.09 0.00 0.00 -0.00 -0.03 0.00 0.03 0.62 0.54 -0.25 -0.01 0.01 0.02 0.03 0.02 0.15 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.06 -0.05 -0.02 -0.04 0.04 -0.06 0.00 -0.01 -0.01 -0.09 -0.01 -0.01 -0.01 -0.02 0.01 0.20 -0.23 -0.24 0.14 0.04 0.05 -0.04 0.10 0.08 -0.01 -0.01 -0.00 -0.13 0.35 0.23 0.00 -0.01 -0.00 0.01 -0.02 0.05 0.00 -0.00 -0.00 -0.10 -0.01 0.03 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.02 0.02 -0.04 -0.03 0.00 0.03 0.39 0.25 -0.26 0.16 -0.03 -0.11 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.10 -0.07 0.05 -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 -0.02 -0.01 -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 -0.04 0.03 -0.00 0.04 -0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.03 -0.03 0.01 -0.02 0.01 0.03 0.14 0.45 0.03 -0.00 0.02 -0.02 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.14 -0.14 0.21 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.02 0.01 0.02 0.02 -0.01 -0.02 0.01 0.28 -0.32 -0.29 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.01 0.01 -0.06 0.15 -0.26 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -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 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.02 0.20 -0.21 0.12 -0.10 0.06 0.03 0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.05 -0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.03 -0.03 -0.06 -0.05 0.02 -0.04 0.02 0.07 0.12 0.10 0.63 0.00 -0.00 0.00 -0.00 0.00 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 0.09 -0.08 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.17 -0.01 -0.41 -0.02 -0.01 -0.00 0.30 0.49 0.12 0.00 0.00 0.00 0.03 -0.06 -0.04 -0.01 -0.03 0.01 -0.06 0.21 -0.19 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.03 -0.16 -0.13 -0.00 0.31 0.29 -0.24 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.03 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.06 -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 0.01 -0.05 0.02 -0.10 0.05 0.00 0.06 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.03 -0.13 0.16 0.50 0.42 -0.04 -0.01 -0.05 0.02 -0.04 -0.01 0.02 -0.03 -0.02 -0.03 -0.26 -0.21 0.03 0.00 -0.00 -0.00 -0.00 -0.03 0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.03 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.06 0.02 -0.07 0.02 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.03 -0.01 0.00 0.00 0.00 -0.01 -0.02 0.07 -0.02 0.04 -0.00 -0.00 -0.01 -0.06 0.01 0.08 0.43 0.37 -0.30 0.00 0.00 0.00 -0.00 -0.00 0.00 0.10 0.05 0.26 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.07 0.01 0.02 -0.09 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.03 -0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 -0.03 0.00 0.00 -0.00 -0.03 0.01 0.03 -0.71 -0.58 0.26 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 0.06 -0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.16 0.28 0.56 0.00 -0.00 0.00 -0.11 0.47 0.28 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.02 0.04 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.00 0.07 -0.09 -0.01 0.05 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.04 -0.02 0.01 -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 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.16 0.33 0.31 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.25 -0.03 -0.08 0.01 -0.00 0.01 -0.01 -0.01 0.02 0.08 -0.04 -0.16 0.00 -0.00 0.00 -0.05 0.02 0.01 0.01 0.16 -0.09 0.06 -0.01 -0.02 0.02 -0.01 0.02 -0.03 0.19 -0.27 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.02 0.01 0.03 0.04 0.01 -0.03 -0.02 0.16 0.22 0.22 -0.30 0.30 0.09 0.00 0.00 0.00 -0.02 -0.02 -0.02 0.01 -0.03 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.04 -0.01 0.02 0.39 0.28 0.06 0.22 -0.06 -0.32 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.02 0.06 -0.01 -0.04 0.01 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.01 0.10 -0.04 0.00 0.00 -0.00 0.09 0.04 0.06 -0.01 0.05 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.49 0.06 0.15 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.03 0.00 -0.00 0.00 -0.03 0.01 -0.00 0.01 -0.03 0.02 0.05 -0.01 -0.02 -0.03 0.02 -0.04 0.05 -0.39 0.54 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.01 -0.09 0.03 -0.02 -0.06 -0.08 0.00 -0.01 -0.01 0.07 0.09 0.09 -0.12 0.12 0.04 0.00 -0.01 -0.01 0.05 0.05 0.10 -0.05 0.13 0.01 -0.00 0.00 0.01 0.06 0.02 -0.03 0.00 -0.04 -0.08 0.00 -0.00 0.00 0.01 0.01 -0.05 -0.02 0.04 -0.01 -0.02 -0.01 0.01 0.23 0.18 0.03 0.13 -0.04 -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 -0.01 0.02 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.02 0.02 0.03 0.02 0.03 0.00 -0.00 -0.01 -0.00 0.01 0.05 -0.02 0.00 -0.00 0.00 0.05 0.02 0.03 -0.00 0.04 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.05 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.02 -0.01 -0.04 -0.00 0.00 -0.00 0.05 -0.02 -0.01 0.00 0.02 -0.02 -0.07 0.02 0.03 -0.00 0.00 -0.00 0.01 -0.04 0.05 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 0.01 0.00 -0.01 -0.02 0.01 -0.04 -0.02 0.21 0.29 0.30 -0.40 0.41 0.11 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 -0.00 0.00 0.00 0.03 0.01 -0.01 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.01 0.01 -0.03 -0.01 0.02 -0.01 0.04 0.01 -0.02 -0.39 -0.30 -0.06 -0.22 0.06 0.32 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.02 0.08 -0.02 -0.06 0.02 0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.05 0.01 -0.00 -0.00 0.00 0.03 0.01 0.03 0.01 -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 0.08 0.01 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.07 0.09 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.04 0.06 -0.02 0.02 0.05 0.06 0.00 -0.00 -0.00 0.02 0.03 0.03 -0.04 0.04 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.01 0.02 0.00 0.02 -0.01 -0.04 -0.36 -0.12 0.16 -0.03 0.26 0.45 -0.01 0.03 -0.04 -0.15 -0.10 0.53 0.23 -0.37 0.11 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.03 0.00 -0.00 -0.00 -0.01 0.02 -0.01 0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.01 -0.00 0.02 0.04 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.02 0.03 -0.05 0.02 -0.57 0.18 -0.28 0.02 0.68 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 0.13 0.14 0.11 0.15 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -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 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 0.06 -0.21 0.08 -0.05 -0.14 -0.18 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.03 -0.02 -0.04 0.02 -0.05 -0.00 -0.02 0.01 0.03 0.36 0.10 -0.15 0.04 -0.27 -0.42 -0.00 0.03 -0.03 -0.15 -0.09 0.49 0.21 -0.34 0.10 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.05 0.02 -0.02 0.00 0.06 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.05 -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.01 0.00 0.02 -0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.00 -0.02 0.01 0.03 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.04 -0.01 -0.07 0.47 -0.19 0.10 0.30 0.37 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.02 -0.01 0.12 0.09 0.19 -0.09 0.22 0.02 -0.01 0.01 0.01 0.17 0.05 -0.07 0.02 -0.14 -0.20 0.00 0.00 -0.01 -0.05 -0.03 0.13 0.06 -0.08 0.03 0.00 0.00 -0.00 -0.02 -0.02 -0.00 -0.01 0.00 0.02 -0.00 -0.00 0.01 -0.00 0.09 -0.03 0.04 -0.01 -0.12 0.01 -0.01 0.00 -0.03 0.08 -0.04 -0.08 0.01 0.04 0.00 -0.03 -0.01 -0.17 0.17 0.23 0.16 0.27 0.03 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.10 -0.02 -0.04 0.01 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.01 -0.06 -0.00 0.00 0.00 -0.02 -0.01 -0.01 0.01 0.06 -0.03 0.03 -0.01 -0.01 0.01 -0.00 0.01 -0.01 0.08 -0.10 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.03 0.01 0.06 -0.37 0.15 -0.08 -0.24 -0.30 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.11 0.09 0.18 -0.09 0.20 0.02 0.00 -0.00 -0.01 -0.08 -0.02 0.03 -0.01 0.06 0.09 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.03 -0.03 -0.00 -0.02 0.01 0.03 -0.00 -0.01 0.01 -0.00 0.12 -0.04 0.05 -0.01 -0.16 -0.01 0.00 -0.00 0.03 -0.07 0.03 0.07 -0.01 -0.03 0.00 -0.04 -0.02 -0.24 0.25 0.34 0.23 0.40 0.04 0.00 0.00 0.00 -0.00 -0.02 0.00 0.00 -0.01 0.00 -0.02 -0.01 -0.01 0.00 0.03 -0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.06 -0.01 -0.02 -0.00 -0.00 -0.00 0.02 0.02 -0.03 -0.23 0.09 0.40 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.42 0.20 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.03 0.01 -0.01 -0.02 -0.02 -0.00 0.00 -0.00 0.01 0.02 0.00 -0.01 -0.02 0.02 0.00 0.00 0.00 -0.03 -0.02 -0.05 0.02 -0.06 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.02 -0.00 0.00 0.00 0.01 -0.02 0.01 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.03 0.04 0.05 0.04 0.06 0.01 -0.02 -0.04 -0.01 -0.02 0.47 -0.09 0.00 -0.00 -0.00 0.39 0.21 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.12 -0.04 -0.02 -0.02 -0.02 0.03 0.21 -0.08 -0.36 0.00 0.00 -0.00 0.01 -0.01 -0.02 0.04 0.38 -0.18 -0.03 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.04 0.07 0.01 0.01 0.01 0.01 -0.10 -0.11 0.00 -0.01 -0.00 -0.01 0.07 -0.03 -0.01 0.05 0.07 -0.00 0.01 0.00 -0.04 -0.05 -0.07 0.07 -0.09 -0.01 -0.00 -0.00 -0.00 0.02 0.02 0.04 -0.02 0.05 0.00 -0.00 0.00 0.00 0.02 0.01 -0.01 0.00 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.07 -0.09 -0.00 -0.04 0.01 0.06 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.02 0.02 -0.00 0.12 -0.29 0.14 0.27 -0.03 -0.13 0.00 0.00 0.00 0.02 -0.02 -0.03 -0.02 -0.03 -0.00 -0.02 -0.03 -0.01 -0.02 0.37 -0.07 -0.00 0.00 0.00 0.29 0.17 0.26 0.00 -0.02 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.19 0.09 -0.00 -0.00 0.01 0.03 -0.01 -0.06 -0.01 0.00 0.00 0.06 -0.03 0.05 0.01 0.06 -0.03 0.07 -0.00 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.04 -0.04 -0.05 0.48 0.55 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.03 0.02 0.03 -0.02 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.02 -0.00 -0.01 0.00 0.02 0.00 -0.00 -0.01 0.03 -0.02 0.01 -0.04 -0.00 0.04 -0.01 0.00 -0.00 0.03 -0.07 0.03 0.06 -0.01 -0.03 0.00 0.00 0.00 0.02 -0.02 -0.03 -0.02 -0.03 -0.00 -0.00 -0.01 -0.00 -0.00 0.08 -0.01 -0.00 0.00 0.00 0.06 0.04 0.05 -0.01 -0.00 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.10 -0.01 -0.03 -0.04 -0.02 0.00 0.00 0.00 -0.01 -0.05 0.01 0.07 -0.00 -0.00 0.01 -0.07 -0.00 -0.03 -0.01 -0.07 0.03 0.10 -0.03 -0.04 0.01 -0.01 0.01 -0.02 0.09 -0.10 0.00 0.00 0.00 0.00 -0.03 -0.06 -0.00 0.00 0.00 0.01 -0.06 0.02 -0.01 -0.04 -0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.04 -0.03 0.27 0.22 0.45 -0.22 0.54 0.06 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.02 -0.01 -0.02 0.01 0.03 0.00 0.00 -0.01 0.00 -0.07 0.02 -0.02 0.01 0.09 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.02 0.00 0.01 0.00 0.02 0.01 0.16 -0.17 -0.24 -0.17 -0.27 -0.04 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.00 0.00 0.02 0.01 0.01 0.01 0.09 -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 0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 0.02 0.10 -0.04 -0.18 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.02 0.20 -0.09 -0.01 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 0.01 -0.00 0.00 0.00 0.01 -0.08 0.04 0.03 -0.05 -0.08 -0.00 0.01 0.01 -0.06 -0.08 -0.09 0.13 -0.14 -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 -0.02 -0.01 0.01 -0.00 0.02 0.03 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.04 -0.04 -0.00 -0.02 0.01 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 -0.03 0.00 -0.24 0.53 -0.27 -0.52 0.05 0.22 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.01 0.20 -0.04 -0.00 -0.00 0.00 0.16 0.10 0.14 -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 0.02 0.00 0.01 0.00 -0.02 0.03 -0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.02 0.03 -0.42 0.18 0.06 0.00 0.02 -0.01 0.46 -0.14 -0.15 -0.00 0.00 -0.00 0.01 -0.02 0.02 -0.00 0.00 0.01 -0.01 0.01 -0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.11 -0.09 -0.10 0.06 -0.11 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.11 -0.07 -0.02 -0.06 0.02 0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.08 0.48 -0.46 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.00 -0.01 0.50 -0.27 0.42 -0.00 -0.00 0.00 0.55 0.29 -0.11 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.12 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.05 0.04 -0.02 -0.04 -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 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.13 -0.14 -0.17 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.07 0.04 0.49 0.77 -0.22 -0.00 0.00 0.00 -0.05 0.11 -0.27 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.02 0.06 0.00 0.04 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.06 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 0.02 0.03 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.05 0.02 -0.05 0.18 0.22 -0.08 0.00 0.00 -0.00 0.31 -0.40 0.78 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.16 -0.08 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.00 -0.05 0.02 0.01 -0.08 -0.11 0.05 0.00 0.00 -0.00 -0.06 0.09 -0.15 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.06 -0.03 -0.11 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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.91 -0.28 -0.13 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.05 0.05 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.08 -0.02 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.05 -0.05 -0.09 0.00 0.00 -0.00 -0.06 -0.02 -0.01 0.92 0.27 0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.03 0.05 0.11 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.02 -0.03 -0.01 0.01 -0.00 0.09 -0.12 0.01 0.01 0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.02 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -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 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.08 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.06 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.02 0.01 -0.00 0.12 0.08 0.11 -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 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.05 -0.31 0.29 0.85 -0.03 -0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 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 -0.01 0.00 0.03 0.00 0.03 0.00 0.00 0.00 -0.04 0.14 -0.06 0.12 -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 0.02 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.05 0.05 0.08 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 0.01 0.00 0.00 0.00 -0.00 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.04 -0.03 -0.04 -0.07 0.03 -0.01 0.62 0.41 0.56 0.00 0.00 0.00 0.01 -0.01 0.00 -0.04 -0.01 -0.06 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.11 0.05 -0.02 -0.00 0.00 -0.00 0.06 -0.07 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.07 -0.06 -0.18 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.00 -0.01 0.00 0.01 0.14 0.02 -0.09 0.00 -0.05 0.03 0.00 0.00 0.00 -0.05 -0.06 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.07 -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.02 -0.03 0.01 -0.01 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.20 0.03 -0.02 0.00 0.00 0.00 -0.02 -0.04 -0.10 0.01 -0.04 0.03 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.11 0.08 0.10 -0.02 -0.00 -0.03 0.02 -0.04 -0.01 0.33 0.07 0.46 0.02 0.01 -0.00 0.01 0.02 0.02 -0.29 -0.14 0.06 0.02 -0.02 0.00 -0.25 0.34 0.00 0.02 -0.01 -0.04 -0.00 0.00 0.00 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.02 0.14 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.02 -0.03 -0.00 0.34 0.38 -0.05 -0.09 0.03 0.09 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -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 -0.03 0.01 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.01 0.00 -0.00 -0.00 -0.02 0.03 -0.06 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.05 -0.01 0.00 0.78 0.12 -0.06 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 0.02 0.00 0.02 0.00 0.01 0.01 -0.24 -0.05 -0.33 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 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 -0.03 0.00 0.02 -0.02 -0.04 -0.06 0.42 -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 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.03 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 -0.05 -0.01 -0.00 -0.02 -0.00 0.00 0.24 0.04 -0.02 0.00 -0.01 -0.01 0.05 0.07 0.18 -0.03 0.10 -0.08 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 -0.03 -0.03 -0.02 -0.01 -0.03 -0.05 0.07 -0.02 0.30 0.06 0.41 -0.04 -0.02 0.01 -0.02 -0.04 -0.04 0.58 0.28 -0.11 -0.01 0.02 -0.00 0.23 -0.31 -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 -0.01 -0.01 0.03 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.07 0.08 -0.01 -0.08 0.03 0.08 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.00 0.00 0.39 0.06 -0.03 0.00 0.01 0.01 -0.05 -0.08 -0.20 0.02 -0.08 0.06 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.02 0.07 -0.10 0.01 0.20 0.04 0.28 0.02 0.01 -0.01 0.01 0.02 0.01 -0.35 -0.17 0.06 -0.01 0.02 -0.00 0.19 -0.25 -0.00 -0.02 0.01 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.01 0.02 0.01 0.05 -0.37 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.02 -0.00 -0.32 -0.36 0.06 0.05 -0.01 -0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.03 -0.04 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.06 0.02 0.01 -0.01 -0.00 0.00 0.16 0.03 -0.01 -0.01 -0.01 -0.02 0.09 0.15 0.36 -0.01 0.03 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.04 0.02 0.03 0.02 -0.04 0.00 -0.40 0.59 -0.07 0.04 -0.01 0.04 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.01 0.00 0.01 -0.02 0.00 -0.22 0.30 0.01 0.02 -0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.00 -0.01 0.01 0.02 0.04 -0.29 0.02 0.01 0.00 -0.00 -0.09 -0.02 0.06 0.00 0.00 -0.00 0.00 0.01 0.00 -0.13 -0.14 0.02 0.06 -0.02 -0.06 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.02 0.03 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.08 -0.02 -0.00 -0.01 -0.00 0.00 0.20 0.03 -0.02 0.00 -0.00 0.00 -0.01 -0.02 -0.04 -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.02 -0.02 0.03 -0.00 0.28 -0.40 0.05 -0.04 0.00 -0.05 -0.02 -0.01 0.01 -0.01 -0.02 -0.01 0.36 0.18 -0.07 0.02 -0.03 0.00 -0.34 0.45 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 0.03 -0.00 -0.01 0.02 0.02 0.06 -0.42 0.02 -0.00 -0.00 0.00 0.07 0.01 -0.04 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.07 -0.08 0.01 0.07 -0.03 -0.08 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.02 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.03 0.03 0.05 0.00 -0.00 0.00 0.01 0.00 0.00 -0.11 -0.04 -0.00 0.01 0.00 -0.00 -0.09 -0.01 0.01 -0.01 -0.02 -0.02 0.12 0.20 0.49 -0.06 0.18 -0.16 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.06 0.04 0.06 -0.02 0.02 -0.01 0.20 -0.30 0.03 0.08 0.03 0.12 0.01 0.00 -0.00 0.01 0.01 0.01 -0.14 -0.07 0.03 0.00 -0.01 -0.00 -0.06 0.08 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.00 0.01 -0.02 -0.02 -0.05 0.32 -0.02 0.02 0.00 -0.01 -0.32 -0.05 0.21 0.01 0.01 -0.02 0.02 0.02 -0.01 -0.25 -0.28 0.04 -0.09 0.05 0.10 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 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.00 0.02 -0.02 -0.03 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.07 0.02 0.00 0.01 0.00 -0.00 -0.13 -0.02 0.01 0.01 0.01 0.02 -0.09 -0.15 -0.35 0.02 -0.05 0.05 0.00 0.00 0.00 0.01 -0.00 0.00 -0.04 -0.03 -0.04 -0.00 -0.01 -0.01 -0.11 0.15 -0.02 0.13 0.02 0.18 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 0.18 0.09 -0.03 0.01 -0.02 0.00 -0.19 0.24 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 -0.03 0.00 0.02 -0.02 -0.03 -0.07 0.46 -0.02 -0.01 -0.00 0.01 0.22 0.04 -0.15 -0.01 -0.01 0.01 0.03 0.02 -0.01 -0.36 -0.39 0.06 -0.06 0.04 0.07 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.02 0.01 0.03 -0.01 0.12 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.30 -0.29 -0.48 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 -0.02 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.02 -0.03 -0.05 -0.12 -0.04 0.14 -0.11 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.02 0.01 0.01 0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.02 -0.00 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 -0.03 -0.09 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 0.00 0.01 0.00 -0.01 -0.15 -0.02 0.10 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.08 0.03 0.08 0.01 -0.04 0.01 0.04 -0.01 0.04 -0.00 0.00 -0.00 -0.16 0.60 -0.25 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.11 0.11 0.18 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.10 0.03 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.00 0.01 -0.02 0.05 -0.10 -0.18 -0.40 -0.12 0.41 -0.31 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.05 0.03 0.04 0.01 -0.01 0.01 -0.07 0.11 -0.01 -0.05 -0.01 -0.08 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 0.03 -0.01 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 0.02 -0.13 0.01 0.02 0.00 -0.01 -0.37 -0.06 0.24 0.01 0.03 -0.02 0.02 -0.01 -0.02 0.02 0.01 -0.01 -0.25 0.10 0.26 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 0.05 -0.18 0.08 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.06 -0.06 -0.10 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.00 -0.01 -0.01 0.05 0.08 0.20 -0.04 0.11 -0.09 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.03 -0.02 -0.03 0.00 0.00 0.01 0.01 -0.02 0.00 -0.07 -0.02 -0.10 0.01 0.00 -0.00 0.01 0.01 0.01 -0.13 -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 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.02 0.02 -0.16 0.01 -0.03 -0.00 0.02 0.47 0.07 -0.30 -0.01 -0.04 0.03 0.03 -0.01 -0.03 -0.00 -0.02 -0.01 -0.47 0.19 0.50 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.02 0.02 -0.10 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 -0.01 0.01 0.00 -0.00 -0.00 0.02 -0.01 -0.03 0.02 -0.17 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.31 0.30 0.50 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.08 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 0.01 -0.03 0.03 0.01 0.00 0.01 -0.01 0.02 0.01 -0.12 -0.07 -0.10 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.03 -0.09 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.00 -0.00 -0.00 0.00 0.08 0.01 -0.05 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.09 0.04 0.09 0.01 -0.04 0.01 0.05 -0.01 0.05 0.00 0.00 0.01 -0.15 0.60 -0.25 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.02 0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.04 0.03 0.01 -0.01 0.02 -0.18 0.57 -0.44 0.00 0.00 0.00 0.01 -0.00 0.00 -0.04 -0.02 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.04 0.01 0.05 0.01 0.00 -0.00 0.01 0.01 0.01 -0.14 -0.07 0.02 -0.00 0.00 -0.00 0.02 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.08 -0.00 -0.02 -0.00 0.01 0.34 0.05 -0.22 -0.00 -0.05 0.03 -0.02 0.01 0.02 0.01 0.02 0.00 0.32 -0.13 -0.34 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 0.00 -0.04 -0.01 0.03 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.06 0.00 -0.05 0.94 -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.07 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.03 0.02 0.08 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 0.04 -0.02 0.04 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.34 0.60 0.72 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.04 -0.04 -0.03 -0.02 -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 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 0.02 -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 -0.01 -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 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.02 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.03 0.02 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.05 0.03 0.07 -0.01 -0.03 -0.11 0.83 -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.14 0.02 0.12 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.03 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.01 0.02 -0.16 0.09 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.00 -0.04 0.73 0.13 0.64 0.00 0.00 0.02 -0.00 -0.08 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -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 -0.03 0.00 0.04 0.65 0.66 0.36 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.20 -0.63 0.75 -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 0.02 0.04 -0.05 -0.04 0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 -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 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.02 0.08 0.26 0.32 0.03 0.01 -0.01 0.02 -0.01 -0.05 -0.02 0.04 -0.02 -0.37 0.05 0.82 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 0.02 -0.02 -0.05 -0.37 0.30 0.88 -0.00 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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.01 -0.04 -0.04 0.17 0.56 0.69 0.05 0.01 -0.03 -0.01 0.00 0.02 0.02 -0.04 0.01 0.17 -0.02 -0.38 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.06 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 -0.02 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.30 0.17 0.94 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.05 0.03 -0.00 0.84 -0.54 -0.02 0.02 0.04 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.00 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 11.00931 18.99840 18.99840 18.99840 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 338.16299 0.99996 0.00242 0.00828 -0.00261 0.99975 0.02223 -0.00823 -0.02225 0.99972 asymmetric 1 0.01128 0.00923 0.00751 0.23509 0.19235 0.15651 1008193.8 35.26 42.22 45.00 50.58 55.21 63.03 71.22 78.42 83.44 87.39 88.36 95.19 99.19 108.35 116.79 131.37 135.36 138.58 159.56 182.05 197.82 199.44 204.61 232.43 249.07 255.15 260.94 281.11 283.36 297.52 303.94 306.34 318.37 330.26 339.23 348.43 356.26 372.09 385.68 396.44 398.46 405.87 414.36 418.91 428.52 443.20 465.91 476.55 494.21 518.69 550.60 565.49 590.66 599.96 614.47 627.68 650.05 656.12 688.44 698.19 713.66 723.37 745.61 749.86 792.52 806.38 831.64 870.55 897.83 903.51 921.62 957.85 971.25 979.00 994.07 1012.53 1021.34 1041.49 1066.23 1093.04 1134.19 1145.04 1177.55 1217.06 1219.62 1227.39 1244.74 1289.06 1297.03 1333.93 1346.04 1371.58 1426.54 1491.37 1638.23 1882.08 2302.65 2308.63 2311.36 2316.06 2327.62 2335.95 2352.12 2355.89 2373.08 2379.97 2380.94 2384.57 2388.28 2460.18 2542.82 3262.32 3684.55 4224.57 4615.54 4727.49 4755.10 4763.15 4773.46 4792.56 4841.12 4873.78 4889.63 4939.55 4943.45 5008.50 5013.27 5042.51 5054.45 5082.12 5130.87 5265.84 5339.36 5389.54 5503.53 5505.10 5506.04 5507.13 5508.69 5510.98 5515.15 0.384001 0.424799 0.425744 0.309878 -1471.561777 -1471.520978 -1471.520034 -1471.635900 266.566 140.273 243.860 0.000 0.000 0.000 0.889 2.981 43.350 0.889 2.981 35.073 264.788 134.312 165.437 1 0.593 1.985 6.231 2 0.593 1.984 5.873 3 0.594 1.983 5.747 4 0.594 1.982 5.515 5 0.594 1.982 5.341 6 0.595 1.980 5.079 7 0.595 1.978 4.837 8 0.596 1.976 4.647 9 0.596 1.974 4.524 10 0.597 1.973 4.433 11 0.597 1.973 4.411 12 0.598 1.970 4.264 13 0.598 1.969 4.183 14 0.599 1.965 4.010 15 0.600 1.962 3.862 16 0.602 1.955 3.632 17 0.603 1.953 3.573 18 0.603 1.952 3.528 19 0.607 1.940 3.253 20 0.611 1.927 2.998 21 0.614 1.916 2.839 22 0.614 1.915 2.823 23 0.616 1.911 2.774 24 0.622 1.890 2.532 25 0.627 1.876 2.401 26 0.628 1.870 2.356 27 0.630 1.865 2.314 28 0.636 1.846 2.176 29 0.636 1.844 2.161 30 0.641 1.830 2.072 31 0.643 1.824 2.033 32 0.644 1.821 2.019 33 0.648 1.809 1.949 34 0.652 1.796 1.883 35 0.655 1.786 1.835 36 0.658 1.776 1.787 37 0.661 1.767 1.748 38 0.667 1.748 1.671 39 0.673 1.732 1.609 40 0.677 1.719 1.561 41 0.678 1.716 1.552 42 0.681 1.707 1.521 43 0.685 1.696 1.486 44 0.687 1.690 1.467 45 0.691 1.678 1.429 46 0.698 1.658 1.373 47 0.708 1.628 1.291 48 0.714 1.613 1.254 49 0.722 1.589 1.196 50 0.735 1.554 1.120 51 0.752 1.507 1.029 52 0.760 1.485 0.989 53 0.775 1.447 0.925 54 0.780 1.433 0.902 55 0.789 1.411 0.868 56 0.797 1.391 0.838 57 0.810 1.357 0.790 58 0.814 1.348 0.778 59 0.835 1.298 0.714 60 0.841 1.283 0.696 61 0.852 1.259 0.668 62 0.858 1.244 0.651 63 0.873 1.210 0.614 64 0.876 1.203 0.607 65 0.906 1.138 0.542 66 0.916 1.117 0.523 67 0.935 1.079 0.489 68 0.964 1.021 0.441 0.124192e+35 34.094093 78.504551 0.492505e+19 18.692411 43.040866 0.100000e+01 0.000000 0.000000 0.244424e+09 8.388143 19.314413 0.103167e+08 7.013540 16.149273 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.4981 -3.5110 4.9294 6.0724 -116.2941 -129.7768 -127.2709 6.5177 2.1510 12.4942 8.1532 -5.3295 -2.8236 6.5177 2.1510 12.4942 82.4414 -47.1885 -8.2737 23.8280 -25.4332 74.1691 -42.4055 -26.7110 47.3724 -11.5732 -4092.6010 -3426.4892 -1784.8082 -195.3839 -207.2940 175.7709 175.0128 17.7942 -34.0504 -1051.3679 -1040.4176 -817.3936 174.5179 89.0130 118.8321 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.9457777 4.808E-9 1.039E-5 0.3840007 0.4247993 -1471.5209783 -1471.5200342 -1471.6358997 -6.0697458,2.5291348,3.540611,4.6405017,-9.5086713,-0.9572593 C01 [X(B1F3H30O15)] 1.795002 -1.1054924 1.1240815 2.4244482 0.0551959 -0.1071326 0.0513422 2.1745771 0.0991182 -0.0888143 0.0756868 2.3920602 -1.3024727 -0.1731532 -0.2836941 -0.1601062 -0.7626465 -0.0761601 -0.2706571 -0.0565884 -0.7471322 -0.7505885 -0.0075419 0.0444644 -0.0239363 -1.0805413 -0.3658357 0.0193886 -0.3652632 -1.0644665 -0.6253383 0.0553294 -0.0223682 0.0605694 -1.013669 0.3002882 -0.0306484 0.3023964 -0.8703716 -1.3658661 -0.0229028 0.2668915 0.0136167 -0.9651089 -0.1091063 0.248521 -0.0950577 -1.2418617 0.3644908 0.0250569 -0.0097409 0.0360103 0.3936371 0.0182717 -0.0622588 0.047555 0.3229981 0.4562449 0.0706304 0.0452329 0.1373447 0.6944358 0.0687345 0.0517791 0.0815726 0.3796411 -1.0521011 -0.079954 0.1219809 -0.0936386 -1.0323809 -0.0901209 0.1114962 -0.0948405 -1.1239306 0.806022 0.0549072 0.1243515 0.1111449 0.3765607 0.0070227 0.130186 0.0009879 0.4378035 -1.4230924 0.2284134 0.0008596 0.2283301 -0.8177713 -0.0174122 0.0092893 -0.0203841 -1.4629951 1.6491971 -0.1043248 -0.4745254 -0.1105108 0.4038517 0.0317387 -0.4810136 0.0313089 0.508879 0.351735 0.0809329 0.0094256 0.0250186 0.9263962 0.0843397 -0.0025283 0.0934019 0.4225843 0.7247946 -0.2729819 0.5210222 -0.2818212 0.6373387 -0.451885 0.5121187 -0.4314923 1.0778125 -0.977008 -0.1152308 0.1350448 -0.1441675 -1.0398259 -0.0661547 0.1752975 -0.0765377 -1.1780793 0.6429273 -0.0542707 -0.4406629 -0.0591213 0.409543 0.148469 -0.4075097 0.1358277 0.9188339 -0.9899159 0.1850807 -0.1112872 0.1894517 -1.0010301 0.0101748 -0.1157694 0.0077083 -1.2949438 0.5665937 -0.117156 -0.2617131 -0.1450167 0.4473838 0.2454392 -0.2606387 0.1975512 0.8636917 -1.0885501 0.205875 0.1379757 0.2263608 -1.1287476 -0.0037892 0.1235244 -0.007036 -1.224487 0.3371285 -0.0019835 -0.0154487 0.0361593 0.8344819 -0.2901139 -0.0449713 -0.3040999 0.5895086 0.7676734 -0.1281431 0.2070227 -0.1821272 0.4020596 -0.0529315 0.2432636 -0.0384367 0.5193525 -1.0300157 0.0319005 0.0576257 0.034074 -0.9897502 0.1668652 0.0274413 0.1261888 -1.0867557 0.3814855 -0.0638532 -0.0364035 -0.0610583 0.3231809 -0.0530009 0.0045794 0.0030349 0.379962 0.4604672 0.0399008 -0.1928904 0.0413052 0.4553417 -0.2822255 -0.2149851 -0.2970391 0.9690002 -1.39616 0.0057095 0.0443971 0.0033645 -0.87544 0.0658117 0.0673585 0.0490354 -1.2621148 0.658652 0.1553006 0.2966499 0.1358218 0.4730692 0.1812529 0.3236302 0.2107047 0.6950853 0.3573532 -0.0165543 -0.0180318 -0.0031291 0.6092053 -0.3389535 -0.0438113 -0.3482075 0.8857961 -1.1081572 -0.0457119 0.0501028 -0.0259127 -0.7005125 -0.156469 0.0471741 -0.1375512 -1.1352021 0.4167874 0.0162749 0.0245229 -0.0300238 0.2683109 0.0166733 0.0179742 -0.0276173 0.3954865 0.7817346 -0.109444 -0.3570026 -0.0785528 0.3315477 0.0526227 -0.3429554 0.0860572 0.7450698 -1.0844398 -0.2029749 0.0873836 -0.1658225 -0.8323758 -0.1680414 0.0987614 -0.1804665 -1.0198652 0.5360821 0.2234371 0.1907047 0.2494438 0.6061145 0.2819772 0.1969576 0.260564 0.6979257 0.3466276 0.0760333 -0.0361423 0.0304595 0.3300976 -0.0006877 -0.055133 0.0382121 0.4077153 -0.9104135 -0.0396078 -0.1572564 -0.0556993 -1.228134 -0.1816516 -0.1467483 -0.1677299 -1.0499192 0.3880649 0.0680286 0.0444682 0.047893 1.1623689 0.0494572 0.0469211 0.0017879 0.3618363 0.3653622 -0.0024706 0.0557963 0.0385082 0.3791963 -0.0507118 0.0458567 -0.0138612 0.3721067 -1.0395179 -0.1821798 0.078919 -0.1603474 -0.7703853 -0.1485317 0.0681895 -0.1412816 -1.0985121 0.3486466 0.0841795 -0.0057426 0.0263354 0.3108822 0.0043323 -0.0149336 0.0186385 0.4306268 0.8347891 0.2720666 0.1788726 0.309443 0.4880878 0.1019381 0.1779058 0.0917831 0.4934821 -0.9266667 0.0525915 0.1684087 0.0541416 -0.9970853 0.0447413 0.1851007 0.0685612 -1.1000873 0.4776633 -0.1749675 -0.1809256 -0.15326 0.6717079 0.2460337 -0.1364146 0.2100893 0.570289 0.5670061 0.065453 0.1068572 0.0088966 0.4130852 -0.0256222 0.046824 0.000673 0.4070643 -1.2514793 0.0252833 0.0677381 0.0262979 -1.0958413 -0.0053846 0.0763136 -0.0019138 -1.1754768 0.9728232 -0.0481498 -0.2724069 -0.1056337 0.3358669 0.0303226 -0.2939934 -0.0019958 0.5338996 0.3572614 -0.1735157 -0.0409953 -0.1324699 0.8243971 0.2407688 -0.0246898 0.2394837 0.5080344 -0.9383105 0.0179482 -0.1327829 0.0204792 -1.1390978 -0.0616128 -0.1378434 -0.0760502 -0.8890741 0.3773419 -0.0428765 -0.0167095 -0.008083 0.4102865 -0.0350415 -0.0687788 -0.0187541 0.5732088 0.3758526 0.0722321 -0.0154432 0.0363677 0.3484653 0.0430948 0.0118751 0.0180047 0.4108779 0.8146575 0.0281193 0.1948491 0.0118734 0.4030625 0.0327203 0.2450075 0.0494005 0.4818951 0.3501797 -0.015932 -0.0722616 -0.0096151 0.6258037 0.4592352 -0.0676386 0.4559892 1.2727481 186.4319585|0.9523286|182.4053065|-2.2014379|3.9017109|189.3320117 0.000038225 0.000016235 0.000020095 -0.000024860 0.000001839 -0.000011542 -0.000000130 -0.000015598 -0.000008425 -0.000001980 0.000002308 0.000000412 0.000001011 0.000002420 -0.000000016 -0.000002004 -0.000006513 -0.000002053 0.000007877 0.000007771 -0.000000520 -0.000003092 -0.000007363 -0.000015659 -0.000013833 -0.000005487 0.000016144 -0.000022013 0.000009142 -0.000005372 0.000005155 0.000008045 -0.000003566 -0.000005960 0.000001385 -0.000008366 0.000016399 -0.000008268 -0.000003860 0.000004499 0.000001035 0.000002951 -0.000000885 0.000000301 0.000004869 -0.000015539 0.000005124 -0.000000842 0.000009057 0.000003001 -0.000011261 -0.000000928 0.000003741 0.000009869 0.000008067 0.000005125 -0.000004753 0.000002687 -0.000001192 0.000004239 0.000048769 0.000008558 0.000009533 -0.000023079 -0.000008962 0.000001191 -0.000017494 -0.000013755 0.000000347 -0.000003262 -0.000008053 -0.000000038 -0.000009270 -0.000007164 0.000005217 -0.000000511 0.000013690 -0.000020619 0.000005452 0.000000395 0.000009582 0.000000714 -0.000003771 0.000001074 0.000002629 -0.000012101 -0.000003453 -0.000009661 0.000006699 0.000013685 0.000002277 -0.000002574 -0.000003945 -0.000003268 -0.000002947 0.000001488 -0.000013429 0.000012310 0.000005534 0.000008985 -0.000008096 -0.000018313 0.000004062 -0.000012268 -0.000005559 -0.000002958 -0.000003873 -0.000004565 -0.000003598 0.000003317 -0.000005831 0.000003811 0.000016233 0.000012753 -0.000009218 -0.000010322 -0.000004511 -0.000000684 0.000002353 0.000007242 0.000009783 0.000004591 0.000001673 -0.000011223 -0.000014601 -0.000000928 0.000023539 0.000000297 -0.000004722 -0.000005696 -0.000002052 -0.000000908 -0.000023322 0.000002504 0.000002962 0.000007515 0.000000666 -0.000010870 0.000000167 0.000002380 0.000002449 0.000018754 0.000003158 0.000009190 -0.000001534 0.000010337 0.000018001 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9914,1.4551,-.5297;-2.271,1.3427,-1.1638;-1.0614,2.6291,.307;-.7859,.341,.2971;.0864,1.5231,-1.4801;2.9398,-1.826,1.4587;-2.9858,-.3308,-1.3415;.722,-1.0273,3.526;-.2052,-1.1934,3.2655;-1.936,-2.4816,.401;-.9499,-2.5355,.0631;.749,-.0651,3.7116;-2.4818,-1.9844,-.3169;2.1169,-1.3674,1.2478;1.6371,-1.2474,2.109;-3.2378,-1.2669,-1.4321;-2.792,-1.5639,-2.2628;2.485,.9959,-.1372;2.3383,.1565,.3536;1.673,1.1354,-.6684;.6377,1.7228,3.8842;.9035,2.2036,4.6773;1.0309,2.2042,3.1154;.4227,-2.6394,-.4867;1.0474,-2.2277,.1544;.4595,-2.0554,-1.2828;4.4099,.3559,-1.9825;4.7689,1.179,-2.336;3.7394,.6295,-1.3128;2.9496,-1.0123,-3.858;3.5127,-.5327,-3.206;3.2854,-1.9171,-3.8639;-1.9705,-1.1833,2.6619;-2.049,-.1961,2.6807;-2.6286,-1.5185,3.2842;-1.8418,-2.0205,-3.6592;-1.7366,-2.9797,-3.6846;-.967,-1.6731,-3.3689;1.4881,2.9513,1.6098;1.9521,2.2784,1.0666;.6184,3.0196,1.1839;.479,-.9801,-2.6579;1.3563,-.9911,-3.1066;.3591,-.0732,-2.3059;-1.9737,1.5437,2.9011;-1.8267,1.9267,2.0227;.0283,2.2881,-2.0646;-1.1036,1.6394,3.3432;-1.9631,-1.9426,1.2546; Gaussian 16 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9914,1.4551,-.5297;-2.271,1.3427,-1.1638;-1.0614,2.6291,.307;-.7859,.341,.2971;.0864,1.5231,-1.4801;2.9398,-1.826,1.4587;-2.9858,-.3308,-1.3415;.722,-1.0273,3.526;-.2052,-1.1934,3.2655;-1.936,-2.4816,.401;-.9499,-2.5355,.0631;.749,-.0651,3.7116;-2.4818,-1.9844,-.3169;2.1169,-1.3674,1.2478;1.6371,-1.2474,2.109;-3.2378,-1.2669,-1.4321;-2.792,-1.5639,-2.2628;2.485,.9959,-.1372;2.3383,.1565,.3536;1.673,1.1354,-.6684;.6377,1.7228,3.8842;.9035,2.2036,4.6773;1.0309,2.2042,3.1154;.4227,-2.6394,-.4867;1.0474,-2.2277,.1544;.4595,-2.0554,-1.2828;4.4099,.3559,-1.9825;4.7689,1.179,-2.336;3.7394,.6295,-1.3128;2.9496,-1.0123,-3.858;3.5127,-.5327,-3.206;3.2854,-1.9171,-3.8639;-1.9705,-1.1833,2.6619;-2.049,-.1961,2.6807;-2.6286,-1.5185,3.2842;-1.8418,-2.0205,-3.6592;-1.7366,-2.9797,-3.6846;-.967,-1.6731,-3.3689;1.4881,2.9513,1.6098;1.9521,2.2784,1.0666;.6184,3.0196,1.1839;.479,-.9801,-2.6579;1.3563,-.9911,-3.1066;.3591,-.0732,-2.3059;-1.9737,1.5437,2.9011;-1.8267,1.9267,2.0227;.0283,2.2881,-2.0646;-1.1036,1.6394,3.3432;-1.9631,-1.9426,1.2546; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF92/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 15-agua-BF3/ CONF92 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 91 91 2122.4346475853 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0573936516 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.432451 0.000000 1.443405 2.298095 0.000000 1.402461 2.311522 2.304639 0.000000 1.438598 2.385309 2.394671 2.305740 0.000000 5.493033 6.638529 6.097854 4.463829 5.290974 0.000000 2.797459 1.828465 3.896412 2.824159 3.590899 6.722249 0.000000 5.054376 6.047259 5.187645 3.817322 5.654143 3.135355 6.158343 0.000000 4.694252 5.506198 4.908884 3.391625 5.475832 3.681799 5.449775 0.977296 0.000000 4.154003 4.145635 5.185875 3.049737 4.864784 5.032080 2.960409 4.352705 3.586217 0.000000 4.034578 4.276821 5.171602 2.890715 4.464025 4.192941 3.313338 4.130646 3.551306 1.043796 0.000000 4.830013 5.905280 4.704034 3.765625 5.469486 3.602209 6.289126 0.980249 1.543502 4.899912 4.722419 0.000000 3.754507 3.439672 4.867368 2.942926 4.500134 5.707160 2.009464 5.093987 4.317707 1.029813 1.671816 5.509171 0.000000 4.559356 5.693347 5.192207 3.499821 4.463126 0.965347 5.815178 2.692862 3.081111 4.287715 3.489027 3.104395 4.896661 0.000000 4.601657 5.717784 5.055350 3.417155 4.791835 1.566708 5.840964 1.701159 2.175902 4.148211 3.540848 2.180607 4.836705 0.993033 0.000000 3.642800 2.795926 4.789662 3.404102 4.340171 6.843396 0.973693 6.349889 5.591993 2.555474 3.013217 6.617980 1.526430 5.988762 6.025351 0.000000 3.919168 3.150830 5.213485 3.769131 4.292740 6.838963 1.551402 6.793120 6.114819 2.944562 3.122002 7.104839 2.014796 6.038245 6.231336 0.988350 0.000000 3.528489 4.877810 3.929562 3.363920 2.798972 3.273693 5.756702 4.541025 4.858871 5.650487 4.930475 4.353526 5.795147 2.763946 3.285870 6.288699 6.238382 0.000000 3.681482 4.995448 4.204025 3.130079 3.209476 2.348031 5.608559 3.752061 4.095177 5.023041 4.259470 3.721740 5.316576 1.780723 2.354552 6.025563 6.010380 0.983424 0.000000 2.687152 3.980398 3.264902 2.758516 1.823888 3.859927 4.930279 4.814003 4.942302 5.220321 4.570638 4.634594 5.207669 3.183267 3.659628 5.520089 5.455779 0.980197 1.563726 0.000000 4.712573 5.838441 4.062600 4.099164 5.396228 4.876101 6.682406 2.774530 3.097894 6.036023 5.937559 1.799638 6.412775 4.322910 3.601694 7.226457 7.768562 4.484716 4.220249 4.705597 0.000000 5.591471 6.703562 4.810580 5.050739 6.248569 5.544739 7.601069 3.434704 3.842135 6.949943 6.869236 2.470578 7.344558 5.097664 4.363997 8.156073 8.718751 5.209588 4.994439 5.505426 0.964867 0.000000 4.235267 5.473181 3.527737 3.835976 4.740684 4.757241 6.513317 3.272085 3.618544 6.174725 5.975384 2.363240 6.454757 4.174184 3.646127 7.137967 7.598533 3.762176 3.678342 3.983883 0.988669 1.567151 0.000000 4.331959 4.855009 5.530774 3.310246 4.292538 3.283599 4.204461 4.334824 4.069952 2.525127 1.482224 4.935530 2.982285 2.738058 3.185918 4.022001 3.826900 4.194117 3.491737 3.980655 6.178953 7.096026 6.066750 0.000000 4.264674 5.049456 5.297058 3.159032 4.202793 2.333145 4.701301 3.593675 3.509637 3.004305 2.022925 4.173645 3.568857 1.754831 2.264712 4.669387 4.585249 3.541674 2.718488 3.518394 5.448395 6.333563 5.330036 0.985313 0.000000 3.872471 4.360876 5.175497 3.128905 3.603344 3.704017 3.853305 4.924476 4.676735 2.958917 2.007033 5.384152 3.096709 3.102282 3.680142 3.783440 3.431421 3.837382 3.331619 3.468697 6.403442 7.338918 6.149372 0.987920 1.562296 0.000000 5.700311 6.802819 6.351775 5.673895 4.506409 4.331694 7.455133 6.771835 7.158280 7.348680 6.424339 6.782526 7.466419 4.320063 5.196073 7.837372 7.458705 2.742284 3.128711 3.134531 7.107480 7.750017 6.389285 5.206436 4.748472 4.680777 0.000000 6.043166 7.138614 6.563558 6.204058 4.772462 5.174462 7.962608 7.457072 7.857862 8.114572 7.228919 7.367546 8.164333 5.134313 5.954246 8.420598 8.043382 3.175556 3.766587 3.516676 7.486849 8.073268 6.688886 6.073637 5.626471 5.490103 0.965060 0.000000 4.865762 6.054366 5.447017 4.811783 3.764420 3.788187 6.793480 5.938376 6.312210 6.695281 5.822398 5.888143 6.821176 3.630092 4.432988 7.231365 6.955097 1.757798 2.227990 2.222874 6.150188 6.811919 5.424473 4.729590 4.190907 4.238831 0.986387 1.551942 0.000000 5.718163 6.329229 6.833426 5.748940 4.503421 5.378622 6.482775 7.712765 7.792969 6.645847 5.735965 7.939740 6.556311 5.185512 6.114167 6.650864 5.984612 4.253598 4.413309 4.051717 8.530389 9.347796 7.915553 4.516465 4.603864 3.731042 2.742621 3.229244 3.130089 0.000000 5.603673 6.413938 6.577309 5.613643 4.352556 4.874448 6.763713 7.304319 7.492658 6.818892 5.883290 7.463944 6.810957 4.741521 5.681356 7.018224 6.457787 3.579146 3.811158 3.550604 7.976458 8.743153 7.321906 4.623960 4.499285 3.916587 1.758260 2.294492 2.233007 0.986021 0.000000 6.385896 6.984994 7.547142 6.244048 5.267942 5.334511 6.943119 7.872307 7.970947 6.765414 5.808702 8.200677 6.771029 5.272293 6.232174 6.992044 6.294743 4.797305 4.794106 4.704156 8.960545 9.777834 8.412973 4.485753 4.609983 3.829735 3.157587 3.757766 3.633079 0.965153 1.549530 0.000000 4.255081 4.594257 4.572339 3.052729 5.358280 5.096210 4.217173 2.832036 1.865664 2.607418 3.102279 3.122143 3.126742 4.328960 3.650272 4.286543 5.007216 5.695184 5.068371 5.453647 4.091658 4.877805 4.548489 4.214404 4.060243 4.714440 8.040456 8.716529 7.189407 8.169819 8.057361 8.411209 0.000000 3.761837 4.146970 3.819905 2.750560 4.982730 5.388706 4.131959 3.013997 2.176328 3.230031 3.678684 2.984840 3.517163 4.558498 3.875547 4.413045 5.182687 5.469825 4.978767 5.181021 3.514169 4.296899 3.928936 4.702251 4.482957 5.045662 7.985501 8.575647 7.080680 8.270863 8.105522 8.616790 0.990448 0.000000 5.105726 5.300916 5.340673 3.971954 6.270644 5.868008 4.789063 3.395016 2.445183 3.117707 3.771994 3.701782 3.634066 5.166126 4.432911 4.762190 5.549559 6.646590 6.005293 6.416401 4.640543 5.317059 5.222920 4.978575 4.879639 5.539110 8.988437 9.673948 8.142368 9.076553 8.989450 9.285949 0.965791 1.564891 0.000000 4.753596 4.209823 6.161110 4.726965 4.585185 7.006704 3.087995 7.693311 7.163405 4.087349 3.862099 8.053881 3.403219 6.338514 6.780286 2.734317 1.749703 6.342258 6.189866 5.591017 8.778561 9.740551 8.485023 3.946550 4.788949 3.308288 6.895122 7.462491 6.608958 4.900380 5.575838 5.132361 6.377604 6.600388 7.005835 0.000000 5.493250 5.032207 6.917213 5.271157 5.334654 7.046508 3.750626 7.864488 7.337619 4.120665 3.855031 8.329318 3.589915 6.463603 6.924491 3.203219 2.267140 6.797895 6.538124 6.136613 9.221579 10.186246 8.987314 3.873610 4.801516 3.383235 7.197453 7.838045 6.974170 5.085434 5.811421 5.136380 6.600004 6.954311 7.175991 0.965225 0.000000 4.224560 3.957000 5.659527 4.186753 3.859116 6.212196 3.160348 7.128084 6.695212 3.975513 3.538695 7.460825 3.421472 5.560376 6.080245 3.012100 2.136900 5.429827 5.303617 4.706412 8.167873 9.125218 7.814764 3.342396 4.096217 2.555977 5.911816 6.488516 5.628445 4.001922 4.625420 4.288047 6.133310 6.320554 6.859193 0.985067 1.548968 0.000000 3.600607 4.940767 2.881161 3.702388 3.681293 4.995258 6.284748 4.481926 4.773535 6.534693 6.200112 3.750018 6.620688 4.379227 4.230895 7.027195 7.328270 2.805236 3.179923 2.919166 2.721272 3.210995 1.741812 6.065152 5.397604 5.873014 5.308290 5.428965 4.358972 6.909645 6.279272 7.542719 5.492115 4.854331 6.303179 7.973071 8.579419 7.224936 0.000000 3.448293 4.866710 3.127498 3.441270 3.246099 4.239772 6.081947 4.299943 4.641378 6.182128 5.709915 3.733065 6.304425 3.654092 3.690180 6.763811 6.953816 1.837968 2.271651 2.096317 3.158342 3.760633 2.247568 5.379319 4.685715 5.150737 4.362849 4.552004 3.402231 6.006356 5.347291 6.609853 5.469468 4.973727 6.349599 7.430249 7.989322 6.618876 0.981347 0.000000 2.824137 4.083142 1.934698 3.151687 3.101506 5.379995 5.531083 4.676907 4.770789 6.115655 5.880073 3.990245 6.074835 4.636346 4.483427 6.331553 6.672265 3.053673 3.441664 2.844869 2.995632 3.598784 2.136720 5.903674 5.364513 5.644985 5.612270 5.744916 4.656926 6.863818 6.345663 7.547468 5.152755 4.438069 5.962279 7.410213 8.077138 6.727753 0.970832 1.530336 0.000000 3.552673 3.897455 4.918347 3.475257 2.794165 4.870038 3.762913 6.188902 5.966639 4.176586 3.444556 6.440594 3.905864 4.252959 4.912834 3.924253 3.346168 3.779188 3.717193 3.139981 7.080251 8.007647 6.616291 2.733221 3.128728 1.745815 4.206292 4.813305 3.876889 2.746827 3.115098 3.195028 5.860197 5.958711 6.727256 2.733378 3.156217 1.754025 5.889606 5.163365 5.547666 0.000000 4.258564 4.730482 5.532028 4.236510 3.252535 4.903674 4.733369 6.662940 6.563714 5.036221 4.213092 6.907517 4.847666 4.436332 5.229374 4.897476 4.271818 3.746864 3.775395 3.250727 7.533386 8.426164 7.002017 3.232952 3.501248 2.294179 3.521735 4.116893 3.394595 1.761798 2.206883 2.269974 6.661772 6.761651 7.549760 3.404821 3.722198 2.435422 6.148469 5.334823 5.919298 0.985354 0.000000 2.704533 3.197899 4.018437 2.873700 1.817844 4.889170 3.490693 5.920572 5.710847 4.288959 3.659020 6.030146 3.959769 4.170581 4.743736 3.889276 3.486240 3.219523 3.323011 2.422548 6.451390 7.365190 5.918455 3.146193 3.341957 2.232962 4.086274 4.584174 3.592540 3.162526 3.311563 3.793474 5.598063 5.538967 6.501116 3.235370 3.839363 2.334109 5.074934 4.409294 4.670276 0.980155 1.574095 0.000000 3.569763 4.080747 2.956292 3.104572 4.841408 6.130087 4.747397 3.777213 3.279043 4.738721 5.073762 3.264742 4.802225 5.285923 4.632060 5.317434 6.082170 5.423232 5.196865 5.119228 2.796064 3.445118 3.083744 5.892233 5.558306 6.031540 8.124741 8.545313 7.157700 8.744040 8.468134 9.241246 2.737489 1.755398 3.154869 7.467202 7.993082 7.118600 3.953834 4.395121 3.441780 6.579392 7.321607 5.930391 0.000000 2.726713 3.269944 2.005682 2.564242 4.011531 6.092592 4.213979 4.181065 3.729380 4.698391 4.951782 3.667937 4.604273 5.196450 4.698941 4.911893 5.610841 4.911421 4.823516 4.485083 3.095132 3.818065 3.071867 5.674996 5.386031 5.657754 7.576577 7.940941 6.617385 8.126112 7.867483 8.692530 3.178201 2.233513 3.755506 6.918451 7.526898 6.539645 3.494020 3.913705 2.806497 5.972768 6.704760 5.245403 0.969433 0.000000 2.022306 2.644196 2.632170 3.167255 0.964506 6.149459 4.057887 6.536654 6.370644 5.717315 5.362005 6.278680 5.254462 5.356980 5.701470 4.868879 4.778247 3.379285 3.965751 2.446060 6.006592 6.799032 5.276760 5.188940 5.133705 4.434364 4.789448 4.876119 4.133786 4.758462 4.626095 5.615157 6.195594 5.744934 7.082316 4.960294 5.786979 4.287512 4.009001 3.675008 3.381718 3.352040 3.688096 2.396553 5.405586 4.503093 0.000000 3.878946 4.665236 3.193744 3.326507 4.969296 5.648809 5.419490 3.236831 2.972794 5.131503 5.311586 2.544230 5.331770 4.878814 4.167533 5.983815 6.673771 5.040379 4.794090 4.904733 1.825284 2.475205 2.219628 5.941860 5.454283 6.123301 7.772361 8.182363 6.793615 8.678586 8.301848 9.157185 3.030362 2.168418 3.507359 7.935618 8.433695 7.486239 3.382709 3.863747 3.087536 6.736476 7.387141 6.081542 0.980684 1.532693 5.562971 0.000000 3.958749 4.091058 4.755125 2.741794 4.867196 4.908465 3.222317 3.634091 2.774020 1.009948 1.672694 4.113032 1.655455 4.120284 3.764888 3.049617 3.633527 5.509717 4.870221 5.137426 5.207045 6.092889 5.442590 3.034718 3.217828 3.509978 7.508438 8.243502 6.762076 7.151143 7.202020 7.331164 1.599072 2.256326 2.177593 4.915921 5.052016 4.737265 5.998876 5.760281 5.593923 4.711490 5.562646 4.643733 3.855561 3.947090 5.734214 4.234541 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2568,.4653,-1.7875;-.0135,1.767,-2.3208;1.4064,-.0305,-2.5058;.6049,.5834,-.4341;-.8761,-.4152,-1.8922;-.0154,-2.1693,3.0248;-.5096,3.0784,-1.1472;2.7124,-.7279,2.4661;2.6712,.2197,2.2307;.1209,2.6885,1.7189;-.4679,1.8531,1.9309;3.1764,-1.142,1.7084;-.2307,3.0998,.8427;.157,-1.5601,2.2961;1.1075,-1.2858,2.3821;-.8187,3.6755,-.4429;-1.7879,3.4949,-.3731;-.4609,-2.5979,-.19;-.2382,-2.2145,.6878;-.6834,-1.8337,-.762;3.925,-1.7397,.1849;4.7273,-2.2749,.1543;3.2707,-2.1749,-.4151;-1.3688,.7122,2.2203;-.8228,-.1042,2.2988;-1.9203,.5683,1.4134;-2.8581,-3.862,.2289;-3.0176,-4.4526,-.5175;-1.9826,-3.4446,.0493;-4.6051,-1.7479,.2524;-4.0114,-2.5351,.2574;-4.9846,-1.7126,1.1391;2.5973,1.9156,1.4566;2.9455,1.6119,.5805;3.235,2.5583,1.7927;-3.4577,2.9915,-.2326;-3.8103,3.2612,.6245;-3.3184,2.0191,-.1594;2.0115,-2.6668,-1.5135;1.1812,-2.7619,-.9992;1.878,-1.8374,-2.0001;-2.8403,.3349,-.0519;-3.4873,-.4017,.047;-2.2028,.0531,-.7409;3.6726,.8548,-.8264;2.9534,.6974,-1.4572;-1.1527,-.57,-2.8031;3.8723,-.0392,-.4763;1.075,2.3911,1.5731; 0.2350852 0.1923517 0.1565073 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 598 RedAO= T EigKep= 9.33D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 599 599 599 599 599 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.94577767406 -1471.94577767 1 1.467083778316e+03 -7.730549065225e+03 2.669125761646e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT312.800S Fri Jul 19 07:22:24 2024 -24.64772 -24.64482 -24.63770 -19.16860 -19.13850 -19.12959 -19.12918 -19.12784 -19.12392 -19.12284 -19.12280 -19.12257 -19.12218 -19.12216 -19.12132 -19.12043 -19.11981 -19.11611 -6.85436 -1.19825 -1.15472 -1.15332 -1.07292 -1.03009 -1.02742 -1.02205 -1.02145 -1.01933 -1.01646 -1.01361 -1.00802 -1.00780 -1.00468 -1.00296 -0.99659 -0.99572 -0.99382 -0.57734 -0.57294 -0.56543 -0.54766 -0.54455 -0.54102 -0.53918 -0.53821 -0.53417 -0.53401 -0.53181 -0.53006 -0.52974 -0.52877 -0.52805 -0.52481 -0.51750 -0.50118 -0.49361 -0.44616 -0.44360 -0.44197 -0.43210 -0.42726 -0.42181 -0.41847 -0.41656 -0.41360 -0.40540 -0.40011 -0.39665 -0.39427 -0.39038 -0.38526 -0.38391 -0.38148 -0.37726 -0.37227 -0.36860 -0.35679 -0.33776 -0.33385 -0.33068 -0.32894 -0.32769 -0.32624 -0.32554 -0.32383 -0.32237 -0.32205 -0.32139 -0.32046 -0.31907 -0.31651 -0.00621 0.01678 0.02119 0.02333 0.04819 0.04991 0.05591 0.06327 0.06421 0.08429 0.08716 0.09398 0.10153 0.10430 0.10874 0.11371 0.11827 0.12389 0.12555 0.12840 0.13310 0.13450 0.14326 0.14679 0.14747 0.15434 0.15910 0.16228 0.16640 0.17112 0.17260 0.17553 0.17886 0.18027 0.18487 0.18929 0.19104 0.19847 0.20306 0.20691 0.21060 0.21112 0.21608 0.21808 0.22279 0.22459 0.22787 0.22901 0.23286 0.23634 0.24238 0.24285 0.24879 0.25037 0.25337 0.25722 0.26010 0.26297 0.26577 0.26917 0.27276 0.27606 0.28058 0.28256 0.28462 0.28643 0.28789 0.29122 0.29335 0.29714 0.29973 0.30653 0.30826 0.30930 0.31187 0.31395 0.31615 0.32003 0.32789 0.33349 0.33868 0.34114 0.34567 0.35799 0.36128 0.36501 0.37266 0.38254 0.38994 0.39473 0.40535 0.41467 0.42304 0.42740 0.44418 0.44504 0.44746 0.46640 0.47762 0.48527 0.48827 0.49618 0.49948 0.50400 0.50974 0.51993 0.52630 0.53166 0.53398 0.54605 0.54931 0.55426 0.56101 0.56635 0.57307 0.58136 0.58411 0.59100 0.59604 0.60116 0.60448 0.60910 0.61496 0.62036 0.62247 0.63400 0.63861 0.64225 0.64940 0.65579 0.66074 0.66790 0.67048 0.67474 0.67942 0.69147 0.69403 0.70200 0.71176 0.71548 0.72312 0.74439 0.76959 0.80454 0.95639 0.95987 0.96515 0.97221 0.97684 0.98945 0.99524 0.99821 1.00007 1.00639 1.00922 1.01660 1.01733 1.02452 1.02510 1.03064 1.03869 1.04626 1.04751 1.05646 1.05868 1.06238 1.06436 1.06992 1.07788 1.08427 1.08576 1.09454 1.09943 1.10275 1.10669 1.11043 1.11592 1.12444 1.12739 1.13439 1.14329 1.14414 1.14787 1.15534 1.16324 1.17180 1.17590 1.19462 1.19910 1.20748 1.21557 1.23585 1.25341 1.25934 1.26636 1.27015 1.28093 1.28455 1.29154 1.30382 1.30906 1.31714 1.32075 1.32355 1.33368 1.33546 1.33854 1.34389 1.35528 1.36154 1.36202 1.36919 1.37775 1.38338 1.38916 1.39501 1.39991 1.40239 1.41618 1.42250 1.43054 1.43195 1.43936 1.44664 1.45900 1.45960 1.46593 1.46720 1.48003 1.48357 1.48816 1.50433 1.51827 1.52490 1.53290 1.53655 1.54975 1.55603 1.56952 1.57211 1.57790 1.58562 1.59251 1.59702 1.60263 1.61799 1.62042 1.62131 1.63147 1.64179 1.65255 1.66175 1.67330 1.68185 1.69275 1.69677 1.70188 1.70803 1.72783 1.74219 1.74784 1.75294 1.76812 1.77140 1.77923 1.79047 1.79365 1.80870 1.81953 1.82187 1.82656 1.83445 1.84042 1.86085 1.87268 1.88006 1.93787 2.01093 2.02325 2.03260 2.03819 2.04283 2.05217 2.05301 2.06747 2.11494 2.15409 2.18254 2.19493 2.20740 2.22063 2.24117 2.26621 2.26672 2.27748 2.29260 2.30585 2.31143 2.33295 2.33460 2.35221 2.35591 2.36693 2.37366 2.38479 2.39529 2.40384 2.43565 2.43752 2.46566 2.47884 2.51007 2.55063 2.57061 2.57207 2.58078 2.58315 2.61095 2.61862 2.62864 2.68675 2.69838 2.70789 2.71758 2.72034 2.73509 2.74276 2.75176 2.75542 2.76244 2.76484 2.77477 2.78704 2.79918 2.81632 2.83170 2.83783 2.84658 2.86638 2.87141 2.88118 2.90574 2.91246 2.94738 3.06784 3.07623 3.08002 3.08454 3.09167 3.09915 3.10207 3.11062 3.11199 3.11472 3.11699 3.12497 3.12949 3.13285 3.13900 3.14346 3.15036 3.15354 3.15813 3.16240 3.16980 3.17744 3.17796 3.18583 3.18672 3.19152 3.20083 3.23110 3.24201 3.28775 3.29161 3.29859 3.30263 3.30768 3.31101 3.31436 3.31895 3.32677 3.33891 3.34579 3.35536 3.36465 3.36789 3.39015 3.54232 3.55510 3.67725 3.68278 3.68769 3.69803 3.70674 3.71878 3.72982 3.73473 3.74488 3.75264 3.76362 3.78294 3.79042 3.79636 3.80739 3.82618 3.84124 3.85449 3.86709 3.87818 3.88991 3.89968 3.90816 3.91342 3.91669 3.92156 3.93029 3.93239 3.94280 3.94418 3.94950 3.95213 3.95973 3.96399 3.96524 3.97603 3.98600 4.00765 4.10224 4.21978 4.24597 4.37269 4.65461 4.70908 4.99775 4.99946 5.00596 5.01617 5.02102 5.02768 5.03533 5.04906 5.05906 5.06796 5.07926 5.11945 5.15684 5.17290 5.24839 5.34960 5.39013 5.39622 5.40101 5.41102 5.41907 5.43328 5.45027 5.45921 5.46750 5.48358 5.49569 5.52070 5.54500 5.59895 5.65664 5.66573 5.66795 5.67908 5.68122 5.68398 5.69703 5.69892 5.71271 5.71783 5.75040 5.75395 5.76379 5.79032 5.81776 6.37431 6.42186 6.42365 6.47095 6.52272 6.55866 6.59356 6.68003 6.69370 14.58105 49.88042 49.88835 49.90202 49.90640 49.91583 49.92749 49.93564 49.93825 49.93997 49.94787 49.95884 49.96671 49.97204 49.98286 49.99514 66.85771 66.86719 66.88654 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 0.841188 -0.435627 -0.424991 -0.362530 -0.780178 0.337112 0.316468 -0.771335 0.381919 -0.745019 0.518412 0.399562 0.508662 -0.792622 0.438998 -0.734600 0.427611 -0.806495 0.434499 0.403863 -0.790526 0.356789 0.423684 -0.809163 0.417359 0.422338 -0.747649 0.320429 0.407748 -0.744582 0.425553 0.311857 -0.771593 0.420191 0.350736 -0.719732 0.308576 0.405579 -0.693390 0.372241 0.305773 -0.858899 0.484432 0.379248 -0.694150 0.309175 0.352876 0.386876 0.513325 -0.00000 0.4981 -3.5110 4.9294 6.0724 -116.2941 -129.7768 -127.2709 6.5177 2.1510 12.4942 8.1532 -5.3295 -2.8236 6.5177 2.1510 12.4942 82.4415 -47.1886 -8.2738 23.8280 -25.4332 74.1691 -42.4055 -26.7110 47.3724 -11.5732 -4092.6016 -3426.4892 -1784.8079 -195.3838 -207.2940 175.7713 175.0129 17.7942 -34.0503 -1051.3683 -1040.4176 -817.3936 174.5178 89.0131 118.8323 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-HORCAJUELO LAMSABHI 19-Jul-2024 0 Wavefunction 15-agua-BF3/CONF92 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.9457777 RMSD=6.063e-09 Dipole=1.7950004,-1.1054934,1.1240814 Quadrupole=-6.0697452,2.5291379,3.5406074,4.6405026,-9.5086758,-0.9572529 PG=C01 [X(B1F3H30O15)] 0 -0.9914252193 1.4550648115 -0.5297006517 0 -2.2709514782 1.3427283652 -1.1638222691 0 -1.0613901925 2.6291239499 0.3070237866 0 -0.785864678 0.3410356903 0.2970896513 0 0.0864099598 1.5230976012 -1.4800721129 0 2.9397821815 -1.8260021757 1.458670363 0 -2.9857802427 -0.3308143818 -1.3414650909 0 0.7220080697 -1.0272667391 3.5260234377 0 -0.2051684038 -1.1933564699 3.2655151959 0 -1.936005286 -2.4816018745 0.400976967 0 -0.9498958475 -2.5355164441 0.0630536655 0 0.7490249371 -0.0651290421 3.711628131 0 -2.4818376123 -1.9843699096 -0.3168959143 0 2.1168867406 -1.3674281716 1.247842795 0 1.6371194984 -1.247421113 2.1089679289 0 -3.2378147416 -1.2669416556 -1.4321465781 0 -2.7920290013 -1.5639081963 -2.2627621591 0 2.484980962 0.9959258916 -0.1372434029 0 2.3382568188 0.1564607224 0.3535650524 0 1.6730455894 1.1354442209 -0.6683573441 0 0.6377241578 1.7227545117 3.8842046038 0 0.9035321346 2.2036303563 4.6773462783 0 1.0308656721 2.2042216236 3.1153771454 0 0.422668886 -2.6393654028 -0.4867355901 0 1.0473812445 -2.2276880512 0.1544335912 0 0.4595318851 -2.0554408245 -1.2827627811 0 4.4099309561 0.3558601955 -1.9825088909 0 4.7688641856 1.1789965738 -2.3359971844 0 3.7394159531 0.6295447956 -1.3128338123 0 2.94960907 -1.0122889945 -3.8580344275 0 3.5127199339 -0.5326866557 -3.2060184409 0 3.2854338777 -1.9171142788 -3.8638507959 0 -1.9704603944 -1.1832780356 2.6619057853 0 -2.0490472631 -0.196130923 2.6806583657 0 -2.6285590574 -1.5185468571 3.2842031459 0 -1.8418018011 -2.0205389965 -3.6591919501 0 -1.7366396921 -2.9796814053 -3.6846140852 0 -0.9669554699 -1.6730786249 -3.3688955466 0 1.4881274481 2.9512831035 1.6098138386 0 1.9521223203 2.2784469305 1.0666367149 0 0.618386225 3.0196110582 1.1839078325 0 0.4790294341 -0.9800737589 -2.6579271168 0 1.3562573204 -0.9910625918 -3.1065615406 0 0.3591337244 -0.0732096336 -2.3058949226 0 -1.9736863449 1.543737387 2.9011164168 0 -1.8266621757 1.926665241 2.0227367656 0 0.028320943 2.2881042771 -2.0645902705 0 -1.1035597385 1.6393730848 3.3432414109 0 -1.9630536935 -1.9425597642 1.2546148412 Gaussian 16 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9914,1.4551,-.5297;-2.271,1.3427,-1.1638;-1.0614,2.6291,.307;-.7859,.341,.2971;.0864,1.5231,-1.4801;2.9398,-1.826,1.4587;-2.9858,-.3308,-1.3415;.722,-1.0273,3.526;-.2052,-1.1934,3.2655;-1.936,-2.4816,.401;-.9499,-2.5355,.0631;.749,-.0651,3.7116;-2.4818,-1.9844,-.3169;2.1169,-1.3674,1.2478;1.6371,-1.2474,2.109;-3.2378,-1.2669,-1.4321;-2.792,-1.5639,-2.2628;2.485,.9959,-.1372;2.3383,.1565,.3536;1.673,1.1354,-.6684;.6377,1.7228,3.8842;.9035,2.2036,4.6773;1.0309,2.2042,3.1154;.4227,-2.6394,-.4867;1.0474,-2.2277,.1544;.4595,-2.0554,-1.2828;4.4099,.3559,-1.9825;4.7689,1.179,-2.336;3.7394,.6295,-1.3128;2.9496,-1.0123,-3.858;3.5127,-.5327,-3.206;3.2854,-1.9171,-3.8639;-1.9705,-1.1833,2.6619;-2.049,-.1961,2.6807;-2.6286,-1.5185,3.2842;-1.8418,-2.0205,-3.6592;-1.7366,-2.9797,-3.6846;-.967,-1.6731,-3.3689;1.4881,2.9513,1.6098;1.9521,2.2784,1.0666;.6184,3.0196,1.1839;.479,-.9801,-2.6579;1.3563,-.9911,-3.1066;.3591,-.0732,-2.3059;-1.9737,1.5437,2.9011;-1.8267,1.9267,2.0227;.0283,2.2881,-2.0646;-1.1036,1.6394,3.3432;-1.9631,-1.9426,1.2546; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF92/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 15-agua-BF3/ CONF92 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 91 91 2122.4346475853 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0573936516 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.432451 0.000000 1.443405 2.298095 0.000000 1.402461 2.311522 2.304639 0.000000 1.438598 2.385309 2.394671 2.305740 0.000000 5.493033 6.638529 6.097854 4.463829 5.290974 0.000000 2.797459 1.828465 3.896412 2.824159 3.590899 6.722249 0.000000 5.054376 6.047259 5.187645 3.817322 5.654143 3.135355 6.158343 0.000000 4.694252 5.506198 4.908884 3.391625 5.475832 3.681799 5.449775 0.977296 0.000000 4.154003 4.145635 5.185875 3.049737 4.864784 5.032080 2.960409 4.352705 3.586217 0.000000 4.034578 4.276821 5.171602 2.890715 4.464025 4.192941 3.313338 4.130646 3.551306 1.043796 0.000000 4.830013 5.905280 4.704034 3.765625 5.469486 3.602209 6.289126 0.980249 1.543502 4.899912 4.722419 0.000000 3.754507 3.439672 4.867368 2.942926 4.500134 5.707160 2.009464 5.093987 4.317707 1.029813 1.671816 5.509171 0.000000 4.559356 5.693347 5.192207 3.499821 4.463126 0.965347 5.815178 2.692862 3.081111 4.287715 3.489027 3.104395 4.896661 0.000000 4.601657 5.717784 5.055350 3.417155 4.791835 1.566708 5.840964 1.701159 2.175902 4.148211 3.540848 2.180607 4.836705 0.993033 0.000000 3.642800 2.795926 4.789662 3.404102 4.340171 6.843396 0.973693 6.349889 5.591993 2.555474 3.013217 6.617980 1.526430 5.988762 6.025351 0.000000 3.919168 3.150830 5.213485 3.769131 4.292740 6.838963 1.551402 6.793120 6.114819 2.944562 3.122002 7.104839 2.014796 6.038245 6.231336 0.988350 0.000000 3.528489 4.877810 3.929562 3.363920 2.798972 3.273693 5.756702 4.541025 4.858871 5.650487 4.930475 4.353526 5.795147 2.763946 3.285870 6.288699 6.238382 0.000000 3.681482 4.995448 4.204025 3.130079 3.209476 2.348031 5.608559 3.752061 4.095177 5.023041 4.259470 3.721740 5.316576 1.780723 2.354552 6.025563 6.010380 0.983424 0.000000 2.687152 3.980398 3.264902 2.758516 1.823888 3.859927 4.930279 4.814003 4.942302 5.220321 4.570638 4.634594 5.207669 3.183267 3.659628 5.520089 5.455779 0.980197 1.563726 0.000000 4.712573 5.838441 4.062600 4.099164 5.396228 4.876101 6.682406 2.774530 3.097894 6.036023 5.937559 1.799638 6.412775 4.322910 3.601694 7.226457 7.768562 4.484716 4.220249 4.705597 0.000000 5.591471 6.703562 4.810580 5.050739 6.248569 5.544739 7.601069 3.434704 3.842135 6.949943 6.869236 2.470578 7.344558 5.097664 4.363997 8.156073 8.718751 5.209588 4.994439 5.505426 0.964867 0.000000 4.235267 5.473181 3.527737 3.835976 4.740684 4.757241 6.513317 3.272085 3.618544 6.174725 5.975384 2.363240 6.454757 4.174184 3.646127 7.137967 7.598533 3.762176 3.678342 3.983883 0.988669 1.567151 0.000000 4.331959 4.855009 5.530774 3.310246 4.292538 3.283599 4.204461 4.334824 4.069952 2.525127 1.482224 4.935530 2.982285 2.738058 3.185918 4.022001 3.826900 4.194117 3.491737 3.980655 6.178953 7.096026 6.066750 0.000000 4.264674 5.049456 5.297058 3.159032 4.202793 2.333145 4.701301 3.593675 3.509637 3.004305 2.022925 4.173645 3.568857 1.754831 2.264712 4.669387 4.585249 3.541674 2.718488 3.518394 5.448395 6.333563 5.330036 0.985313 0.000000 3.872471 4.360876 5.175497 3.128905 3.603344 3.704017 3.853305 4.924476 4.676735 2.958917 2.007033 5.384152 3.096709 3.102282 3.680142 3.783440 3.431421 3.837382 3.331619 3.468697 6.403442 7.338918 6.149372 0.987920 1.562296 0.000000 5.700311 6.802819 6.351775 5.673895 4.506409 4.331694 7.455133 6.771835 7.158280 7.348680 6.424339 6.782526 7.466419 4.320063 5.196073 7.837372 7.458705 2.742284 3.128711 3.134531 7.107480 7.750017 6.389285 5.206436 4.748472 4.680777 0.000000 6.043166 7.138614 6.563558 6.204058 4.772462 5.174462 7.962608 7.457072 7.857862 8.114572 7.228919 7.367546 8.164333 5.134313 5.954246 8.420598 8.043382 3.175556 3.766587 3.516676 7.486849 8.073268 6.688886 6.073637 5.626471 5.490103 0.965060 0.000000 4.865762 6.054366 5.447017 4.811783 3.764420 3.788187 6.793480 5.938376 6.312210 6.695281 5.822398 5.888143 6.821176 3.630092 4.432988 7.231365 6.955097 1.757798 2.227990 2.222874 6.150188 6.811919 5.424473 4.729590 4.190907 4.238831 0.986387 1.551942 0.000000 5.718163 6.329229 6.833426 5.748940 4.503421 5.378622 6.482775 7.712765 7.792969 6.645847 5.735965 7.939740 6.556311 5.185512 6.114167 6.650864 5.984612 4.253598 4.413309 4.051717 8.530389 9.347796 7.915553 4.516465 4.603864 3.731042 2.742621 3.229244 3.130089 0.000000 5.603673 6.413938 6.577309 5.613643 4.352556 4.874448 6.763713 7.304319 7.492658 6.818892 5.883290 7.463944 6.810957 4.741521 5.681356 7.018224 6.457787 3.579146 3.811158 3.550604 7.976458 8.743153 7.321906 4.623960 4.499285 3.916587 1.758260 2.294492 2.233007 0.986021 0.000000 6.385896 6.984994 7.547142 6.244048 5.267942 5.334511 6.943119 7.872307 7.970947 6.765414 5.808702 8.200677 6.771029 5.272293 6.232174 6.992044 6.294743 4.797305 4.794106 4.704156 8.960545 9.777834 8.412973 4.485753 4.609983 3.829735 3.157587 3.757766 3.633079 0.965153 1.549530 0.000000 4.255081 4.594257 4.572339 3.052729 5.358280 5.096210 4.217173 2.832036 1.865664 2.607418 3.102279 3.122143 3.126742 4.328960 3.650272 4.286543 5.007216 5.695184 5.068371 5.453647 4.091658 4.877805 4.548489 4.214404 4.060243 4.714440 8.040456 8.716529 7.189407 8.169819 8.057361 8.411209 0.000000 3.761837 4.146970 3.819905 2.750560 4.982730 5.388706 4.131959 3.013997 2.176328 3.230031 3.678684 2.984840 3.517163 4.558498 3.875547 4.413045 5.182687 5.469825 4.978767 5.181021 3.514169 4.296899 3.928936 4.702251 4.482957 5.045662 7.985501 8.575647 7.080680 8.270863 8.105522 8.616790 0.990448 0.000000 5.105726 5.300916 5.340673 3.971954 6.270644 5.868008 4.789063 3.395016 2.445183 3.117707 3.771994 3.701782 3.634066 5.166126 4.432911 4.762190 5.549559 6.646590 6.005293 6.416401 4.640543 5.317059 5.222920 4.978575 4.879639 5.539110 8.988437 9.673948 8.142368 9.076553 8.989450 9.285949 0.965791 1.564891 0.000000 4.753596 4.209823 6.161110 4.726965 4.585185 7.006704 3.087995 7.693311 7.163405 4.087349 3.862099 8.053881 3.403219 6.338514 6.780286 2.734317 1.749703 6.342258 6.189866 5.591017 8.778561 9.740551 8.485023 3.946550 4.788949 3.308288 6.895122 7.462491 6.608958 4.900380 5.575838 5.132361 6.377604 6.600388 7.005835 0.000000 5.493250 5.032207 6.917213 5.271157 5.334654 7.046508 3.750626 7.864488 7.337619 4.120665 3.855031 8.329318 3.589915 6.463603 6.924491 3.203219 2.267140 6.797895 6.538124 6.136613 9.221579 10.186246 8.987314 3.873610 4.801516 3.383235 7.197453 7.838045 6.974170 5.085434 5.811421 5.136380 6.600004 6.954311 7.175991 0.965225 0.000000 4.224560 3.957000 5.659527 4.186753 3.859116 6.212196 3.160348 7.128084 6.695212 3.975513 3.538695 7.460825 3.421472 5.560376 6.080245 3.012100 2.136900 5.429827 5.303617 4.706412 8.167873 9.125218 7.814764 3.342396 4.096217 2.555977 5.911816 6.488516 5.628445 4.001922 4.625420 4.288047 6.133310 6.320554 6.859193 0.985067 1.548968 0.000000 3.600607 4.940767 2.881161 3.702388 3.681293 4.995258 6.284748 4.481926 4.773535 6.534693 6.200112 3.750018 6.620688 4.379227 4.230895 7.027195 7.328270 2.805236 3.179923 2.919166 2.721272 3.210995 1.741812 6.065152 5.397604 5.873014 5.308290 5.428965 4.358972 6.909645 6.279272 7.542719 5.492115 4.854331 6.303179 7.973071 8.579419 7.224936 0.000000 3.448293 4.866710 3.127498 3.441270 3.246099 4.239772 6.081947 4.299943 4.641378 6.182128 5.709915 3.733065 6.304425 3.654092 3.690180 6.763811 6.953816 1.837968 2.271651 2.096317 3.158342 3.760633 2.247568 5.379319 4.685715 5.150737 4.362849 4.552004 3.402231 6.006356 5.347291 6.609853 5.469468 4.973727 6.349599 7.430249 7.989322 6.618876 0.981347 0.000000 2.824137 4.083142 1.934698 3.151687 3.101506 5.379995 5.531083 4.676907 4.770789 6.115655 5.880073 3.990245 6.074835 4.636346 4.483427 6.331553 6.672265 3.053673 3.441664 2.844869 2.995632 3.598784 2.136720 5.903674 5.364513 5.644985 5.612270 5.744916 4.656926 6.863818 6.345663 7.547468 5.152755 4.438069 5.962279 7.410213 8.077138 6.727753 0.970832 1.530336 0.000000 3.552673 3.897455 4.918347 3.475257 2.794165 4.870038 3.762913 6.188902 5.966639 4.176586 3.444556 6.440594 3.905864 4.252959 4.912834 3.924253 3.346168 3.779188 3.717193 3.139981 7.080251 8.007647 6.616291 2.733221 3.128728 1.745815 4.206292 4.813305 3.876889 2.746827 3.115098 3.195028 5.860197 5.958711 6.727256 2.733378 3.156217 1.754025 5.889606 5.163365 5.547666 0.000000 4.258564 4.730482 5.532028 4.236510 3.252535 4.903674 4.733369 6.662940 6.563714 5.036221 4.213092 6.907517 4.847666 4.436332 5.229374 4.897476 4.271818 3.746864 3.775395 3.250727 7.533386 8.426164 7.002017 3.232952 3.501248 2.294179 3.521735 4.116893 3.394595 1.761798 2.206883 2.269974 6.661772 6.761651 7.549760 3.404821 3.722198 2.435422 6.148469 5.334823 5.919298 0.985354 0.000000 2.704533 3.197899 4.018437 2.873700 1.817844 4.889170 3.490693 5.920572 5.710847 4.288959 3.659020 6.030146 3.959769 4.170581 4.743736 3.889276 3.486240 3.219523 3.323011 2.422548 6.451390 7.365190 5.918455 3.146193 3.341957 2.232962 4.086274 4.584174 3.592540 3.162526 3.311563 3.793474 5.598063 5.538967 6.501116 3.235370 3.839363 2.334109 5.074934 4.409294 4.670276 0.980155 1.574095 0.000000 3.569763 4.080747 2.956292 3.104572 4.841408 6.130087 4.747397 3.777213 3.279043 4.738721 5.073762 3.264742 4.802225 5.285923 4.632060 5.317434 6.082170 5.423232 5.196865 5.119228 2.796064 3.445118 3.083744 5.892233 5.558306 6.031540 8.124741 8.545313 7.157700 8.744040 8.468134 9.241246 2.737489 1.755398 3.154869 7.467202 7.993082 7.118600 3.953834 4.395121 3.441780 6.579392 7.321607 5.930391 0.000000 2.726713 3.269944 2.005682 2.564242 4.011531 6.092592 4.213979 4.181065 3.729380 4.698391 4.951782 3.667937 4.604273 5.196450 4.698941 4.911893 5.610841 4.911421 4.823516 4.485083 3.095132 3.818065 3.071867 5.674996 5.386031 5.657754 7.576577 7.940941 6.617385 8.126112 7.867483 8.692530 3.178201 2.233513 3.755506 6.918451 7.526898 6.539645 3.494020 3.913705 2.806497 5.972768 6.704760 5.245403 0.969433 0.000000 2.022306 2.644196 2.632170 3.167255 0.964506 6.149459 4.057887 6.536654 6.370644 5.717315 5.362005 6.278680 5.254462 5.356980 5.701470 4.868879 4.778247 3.379285 3.965751 2.446060 6.006592 6.799032 5.276760 5.188940 5.133705 4.434364 4.789448 4.876119 4.133786 4.758462 4.626095 5.615157 6.195594 5.744934 7.082316 4.960294 5.786979 4.287512 4.009001 3.675008 3.381718 3.352040 3.688096 2.396553 5.405586 4.503093 0.000000 3.878946 4.665236 3.193744 3.326507 4.969296 5.648809 5.419490 3.236831 2.972794 5.131503 5.311586 2.544230 5.331770 4.878814 4.167533 5.983815 6.673771 5.040379 4.794090 4.904733 1.825284 2.475205 2.219628 5.941860 5.454283 6.123301 7.772361 8.182363 6.793615 8.678586 8.301848 9.157185 3.030362 2.168418 3.507359 7.935618 8.433695 7.486239 3.382709 3.863747 3.087536 6.736476 7.387141 6.081542 0.980684 1.532693 5.562971 0.000000 3.958749 4.091058 4.755125 2.741794 4.867196 4.908465 3.222317 3.634091 2.774020 1.009948 1.672694 4.113032 1.655455 4.120284 3.764888 3.049617 3.633527 5.509717 4.870221 5.137426 5.207045 6.092889 5.442590 3.034718 3.217828 3.509978 7.508438 8.243502 6.762076 7.151143 7.202020 7.331164 1.599072 2.256326 2.177593 4.915921 5.052016 4.737265 5.998876 5.760281 5.593923 4.711490 5.562646 4.643733 3.855561 3.947090 5.734214 4.234541 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2568,.4653,-1.7875;-.0135,1.767,-2.3208;1.4064,-.0305,-2.5058;.6049,.5834,-.4341;-.8761,-.4152,-1.8922;-.0154,-2.1693,3.0248;-.5096,3.0784,-1.1472;2.7124,-.7279,2.4661;2.6712,.2197,2.2307;.1209,2.6885,1.7189;-.4679,1.8531,1.9309;3.1764,-1.142,1.7084;-.2307,3.0998,.8427;.157,-1.5601,2.2961;1.1075,-1.2858,2.3821;-.8187,3.6755,-.4429;-1.7879,3.4949,-.3731;-.4609,-2.5979,-.19;-.2382,-2.2145,.6878;-.6834,-1.8337,-.762;3.925,-1.7397,.1849;4.7273,-2.2749,.1543;3.2707,-2.1749,-.4151;-1.3688,.7122,2.2203;-.8228,-.1042,2.2988;-1.9203,.5683,1.4134;-2.8581,-3.862,.2289;-3.0176,-4.4526,-.5175;-1.9826,-3.4446,.0493;-4.6051,-1.7479,.2524;-4.0114,-2.5351,.2574;-4.9846,-1.7126,1.1391;2.5973,1.9156,1.4566;2.9455,1.6119,.5805;3.235,2.5583,1.7927;-3.4577,2.9915,-.2326;-3.8103,3.2612,.6245;-3.3184,2.0191,-.1594;2.0115,-2.6668,-1.5135;1.1812,-2.7619,-.9992;1.878,-1.8374,-2.0001;-2.8403,.3349,-.0519;-3.4873,-.4017,.047;-2.2028,.0531,-.7409;3.6726,.8548,-.8264;2.9534,.6974,-1.4572;-1.1527,-.57,-2.8031;3.8723,-.0392,-.4763;1.075,2.3911,1.5731; 0.2350852 0.1923517 0.1565073 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 598 RedAO= T EigKep= 9.33D-05 NBF= 598 NBsUse= 598 1.00D-06 EigRej= -1.00D+00 NBFU= 598 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 599 599 599 599 599 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.94577767407 -1471.94577767 1 1.467083778316e+03 -7.730549065225e+03 2.669125761646e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098715804 LenY= 15098334498 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT40332.800S Fri Jul 19 08:07:21 2024 -24.64772 -24.64482 -24.63770 -19.16860 -19.13850 -19.12959 -19.12918 -19.12784 -19.12392 -19.12284 -19.12280 -19.12257 -19.12218 -19.12216 -19.12132 -19.12043 -19.11981 -19.11611 -6.85436 -1.19825 -1.15472 -1.15332 -1.07292 -1.03009 -1.02742 -1.02205 -1.02145 -1.01933 -1.01646 -1.01361 -1.00802 -1.00780 -1.00468 -1.00296 -0.99659 -0.99572 -0.99382 -0.57734 -0.57294 -0.56543 -0.54766 -0.54455 -0.54102 -0.53918 -0.53821 -0.53417 -0.53401 -0.53181 -0.53006 -0.52974 -0.52877 -0.52805 -0.52481 -0.51750 -0.50118 -0.49361 -0.44616 -0.44360 -0.44197 -0.43210 -0.42726 -0.42181 -0.41847 -0.41656 -0.41360 -0.40540 -0.40011 -0.39665 -0.39427 -0.39038 -0.38526 -0.38391 -0.38148 -0.37726 -0.37227 -0.36860 -0.35679 -0.33776 -0.33385 -0.33068 -0.32894 -0.32769 -0.32624 -0.32554 -0.32383 -0.32237 -0.32205 -0.32139 -0.32046 -0.31907 -0.31651 -0.00621 0.01678 0.02119 0.02333 0.04819 0.04991 0.05591 0.06327 0.06421 0.08429 0.08716 0.09398 0.10153 0.10430 0.10874 0.11371 0.11827 0.12389 0.12555 0.12840 0.13310 0.13450 0.14326 0.14679 0.14747 0.15434 0.15910 0.16228 0.16640 0.17112 0.17260 0.17553 0.17886 0.18027 0.18487 0.18929 0.19104 0.19847 0.20306 0.20691 0.21060 0.21112 0.21608 0.21808 0.22279 0.22459 0.22787 0.22901 0.23286 0.23634 0.24238 0.24285 0.24879 0.25037 0.25337 0.25722 0.26010 0.26297 0.26577 0.26917 0.27276 0.27606 0.28058 0.28256 0.28462 0.28643 0.28789 0.29122 0.29335 0.29714 0.29973 0.30653 0.30826 0.30930 0.31187 0.31395 0.31615 0.32003 0.32789 0.33349 0.33868 0.34114 0.34567 0.35799 0.36128 0.36501 0.37266 0.38254 0.38994 0.39473 0.40535 0.41467 0.42304 0.42740 0.44418 0.44504 0.44746 0.46640 0.47762 0.48527 0.48827 0.49618 0.49948 0.50400 0.50974 0.51993 0.52630 0.53166 0.53398 0.54605 0.54931 0.55426 0.56101 0.56635 0.57307 0.58136 0.58411 0.59100 0.59604 0.60116 0.60448 0.60910 0.61496 0.62036 0.62247 0.63400 0.63861 0.64225 0.64940 0.65579 0.66074 0.66790 0.67048 0.67474 0.67942 0.69147 0.69403 0.70200 0.71176 0.71548 0.72312 0.74439 0.76959 0.80454 0.95639 0.95987 0.96515 0.97221 0.97684 0.98945 0.99524 0.99821 1.00007 1.00639 1.00922 1.01660 1.01733 1.02452 1.02510 1.03064 1.03869 1.04626 1.04751 1.05646 1.05868 1.06238 1.06436 1.06992 1.07788 1.08427 1.08576 1.09454 1.09943 1.10275 1.10669 1.11043 1.11592 1.12444 1.12739 1.13439 1.14329 1.14414 1.14787 1.15534 1.16324 1.17180 1.17590 1.19462 1.19910 1.20748 1.21557 1.23585 1.25341 1.25934 1.26636 1.27015 1.28093 1.28455 1.29154 1.30382 1.30906 1.31714 1.32075 1.32355 1.33368 1.33546 1.33854 1.34389 1.35528 1.36154 1.36202 1.36919 1.37775 1.38338 1.38916 1.39501 1.39991 1.40239 1.41618 1.42250 1.43054 1.43195 1.43936 1.44664 1.45900 1.45960 1.46593 1.46720 1.48003 1.48357 1.48816 1.50433 1.51827 1.52490 1.53290 1.53655 1.54975 1.55603 1.56952 1.57211 1.57790 1.58562 1.59251 1.59702 1.60263 1.61799 1.62042 1.62131 1.63147 1.64179 1.65255 1.66175 1.67330 1.68185 1.69275 1.69677 1.70188 1.70803 1.72783 1.74219 1.74784 1.75294 1.76812 1.77140 1.77923 1.79047 1.79365 1.80870 1.81953 1.82187 1.82656 1.83445 1.84042 1.86085 1.87268 1.88006 1.93787 2.01093 2.02325 2.03260 2.03819 2.04283 2.05217 2.05301 2.06747 2.11494 2.15409 2.18254 2.19493 2.20740 2.22063 2.24117 2.26621 2.26672 2.27748 2.29260 2.30585 2.31143 2.33295 2.33460 2.35221 2.35591 2.36693 2.37366 2.38479 2.39529 2.40384 2.43565 2.43752 2.46566 2.47884 2.51007 2.55063 2.57061 2.57207 2.58078 2.58315 2.61095 2.61862 2.62864 2.68675 2.69838 2.70789 2.71758 2.72034 2.73509 2.74276 2.75176 2.75542 2.76244 2.76484 2.77477 2.78704 2.79918 2.81632 2.83170 2.83783 2.84658 2.86638 2.87141 2.88118 2.90574 2.91246 2.94738 3.06784 3.07623 3.08002 3.08454 3.09167 3.09915 3.10207 3.11062 3.11199 3.11472 3.11699 3.12497 3.12949 3.13285 3.13900 3.14346 3.15036 3.15354 3.15813 3.16240 3.16980 3.17744 3.17796 3.18583 3.18672 3.19152 3.20083 3.23110 3.24201 3.28775 3.29161 3.29859 3.30263 3.30768 3.31101 3.31436 3.31895 3.32677 3.33891 3.34579 3.35536 3.36465 3.36789 3.39015 3.54232 3.55510 3.67725 3.68278 3.68769 3.69803 3.70674 3.71878 3.72982 3.73473 3.74488 3.75264 3.76362 3.78294 3.79042 3.79636 3.80739 3.82618 3.84124 3.85449 3.86709 3.87818 3.88991 3.89968 3.90816 3.91342 3.91669 3.92156 3.93029 3.93239 3.94280 3.94418 3.94950 3.95213 3.95973 3.96399 3.96524 3.97603 3.98600 4.00765 4.10224 4.21978 4.24597 4.37269 4.65461 4.70908 4.99775 4.99946 5.00596 5.01617 5.02102 5.02768 5.03533 5.04906 5.05906 5.06796 5.07926 5.11945 5.15684 5.17290 5.24839 5.34960 5.39013 5.39622 5.40101 5.41102 5.41907 5.43328 5.45027 5.45921 5.46750 5.48358 5.49569 5.52070 5.54500 5.59895 5.65664 5.66573 5.66795 5.67908 5.68122 5.68398 5.69703 5.69892 5.71271 5.71783 5.75040 5.75395 5.76379 5.79032 5.81776 6.37431 6.42186 6.42365 6.47095 6.52272 6.55866 6.59356 6.68003 6.69370 14.58105 49.88042 49.88835 49.90202 49.90640 49.91583 49.92749 49.93564 49.93825 49.93997 49.94787 49.95884 49.96671 49.97204 49.98286 49.99514 66.85771 66.86719 66.88654 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 0.841188 -0.435627 -0.424991 -0.362530 -0.780178 0.337112 0.316468 -0.771335 0.381919 -0.745019 0.518412 0.399562 0.508662 -0.792622 0.438998 -0.734600 0.427611 -0.806495 0.434499 0.403863 -0.790526 0.356789 0.423684 -0.809163 0.417359 0.422338 -0.747649 0.320429 0.407748 -0.744582 0.425553 0.311857 -0.771593 0.420191 0.350736 -0.719732 0.308576 0.405579 -0.693390 0.372241 0.305773 -0.858899 0.484432 0.379248 -0.694150 0.309175 0.352876 0.386876 0.513325 -0.00000 0.4981 -3.5110 4.9294 6.0724 -116.2941 -129.7768 -127.2709 6.5177 2.1510 12.4942 8.1532 -5.3295 -2.8236 6.5177 2.1510 12.4942 82.4415 -47.1886 -8.2738 23.8280 -25.4332 74.1691 -42.4055 -26.7110 47.3724 -11.5732 -4092.6016 -3426.4892 -1784.8079 -195.3838 -207.2940 175.7713 175.0129 17.7942 -34.0503 -1051.3683 -1040.4176 -817.3936 174.5178 89.0131 118.8323 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-HORCAJUELO LAMSABHI 19-Jul-2024 0 Wavefunction 15-agua-BF3/ CONF92 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.9457777 RMSD=6.063e-09 Dipole=1.7950004,-1.1054934,1.1240814 Quadrupole=-6.0697452,2.5291379,3.5406074,4.6405026,-9.5086758,-0.9572529 PG=C01 [X(B1F3H30O15)] 0 -0.9914252193 1.4550648115 -0.5297006517 0 -2.2709514782 1.3427283652 -1.1638222691 0 -1.0613901925 2.6291239499 0.3070237866 0 -0.785864678 0.3410356903 0.2970896513 0 0.0864099598 1.5230976012 -1.4800721129 0 2.9397821815 -1.8260021757 1.458670363 0 -2.9857802427 -0.3308143818 -1.3414650909 0 0.7220080697 -1.0272667391 3.5260234377 0 -0.2051684038 -1.1933564699 3.2655151959 0 -1.936005286 -2.4816018745 0.400976967 0 -0.9498958475 -2.5355164441 0.0630536655 0 0.7490249371 -0.0651290421 3.711628131 0 -2.4818376123 -1.9843699096 -0.3168959143 0 2.1168867406 -1.3674281716 1.247842795 0 1.6371194984 -1.247421113 2.1089679289 0 -3.2378147416 -1.2669416556 -1.4321465781 0 -2.7920290013 -1.5639081963 -2.2627621591 0 2.484980962 0.9959258916 -0.1372434029 0 2.3382568188 0.1564607224 0.3535650524 0 1.6730455894 1.1354442209 -0.6683573441 0 0.6377241578 1.7227545117 3.8842046038 0 0.9035321346 2.2036303563 4.6773462783 0 1.0308656721 2.2042216236 3.1153771454 0 0.422668886 -2.6393654028 -0.4867355901 0 1.0473812445 -2.2276880512 0.1544335912 0 0.4595318851 -2.0554408245 -1.2827627811 0 4.4099309561 0.3558601955 -1.9825088909 0 4.7688641856 1.1789965738 -2.3359971844 0 3.7394159531 0.6295447956 -1.3128338123 0 2.94960907 -1.0122889945 -3.8580344275 0 3.5127199339 -0.5326866557 -3.2060184409 0 3.2854338777 -1.9171142788 -3.8638507959 0 -1.9704603944 -1.1832780356 2.6619057853 0 -2.0490472631 -0.196130923 2.6806583657 0 -2.6285590574 -1.5185468571 3.2842031459 0 -1.8418018011 -2.0205389965 -3.6591919501 0 -1.7366396921 -2.9796814053 -3.6846140852 0 -0.9669554699 -1.6730786249 -3.3688955466 0 1.4881274481 2.9512831035 1.6098138386 0 1.9521223203 2.2784469305 1.0666367149 0 0.618386225 3.0196110582 1.1839078325 0 0.4790294341 -0.9800737589 -2.6579271168 0 1.3562573204 -0.9910625918 -3.1065615406 0 0.3591337244 -0.0732096336 -2.3058949226 0 -1.9736863449 1.543737387 2.9011164168 0 -1.8266621757 1.926665241 2.0227367656 0 0.028320943 2.2881042771 -2.0645902705 0 -1.1035597385 1.6393730848 3.3432414109 0 -1.9630536935 -1.9425597642 1.2546148412 Gaussian 16 19-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(BF3H30O15)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9914,1.4551,-.5297;-2.271,1.3427,-1.1638;-1.0614,2.6291,.307;-.7859,.341,.2971;.0864,1.5231,-1.4801;2.9398,-1.826,1.4587;-2.9858,-.3308,-1.3415;.722,-1.0273,3.526;-.2052,-1.1934,3.2655;-1.936,-2.4816,.401;-.9499,-2.5355,.0631;.749,-.0651,3.7116;-2.4818,-1.9844,-.3169;2.1169,-1.3674,1.2478;1.6371,-1.2474,2.109;-3.2378,-1.2669,-1.4321;-2.792,-1.5639,-2.2628;2.485,.9959,-.1372;2.3383,.1565,.3536;1.673,1.1354,-.6684;.6377,1.7228,3.8842;.9035,2.2036,4.6773;1.0309,2.2042,3.1154;.4227,-2.6394,-.4867;1.0474,-2.2277,.1544;.4595,-2.0554,-1.2828;4.4099,.3559,-1.9825;4.7689,1.179,-2.336;3.7394,.6295,-1.3128;2.9496,-1.0123,-3.858;3.5127,-.5327,-3.206;3.2854,-1.9171,-3.8639;-1.9705,-1.1833,2.6619;-2.049,-.1961,2.6807;-2.6286,-1.5185,3.2842;-1.8418,-2.0205,-3.6592;-1.7366,-2.9797,-3.6846;-.967,-1.6731,-3.3689;1.4881,2.9513,1.6098;1.9521,2.2784,1.0666;.6184,3.0196,1.1839;.479,-.9801,-2.6579;1.3563,-.9911,-3.1066;.3591,-.0732,-2.3059;-1.9737,1.5437,2.9011;-1.8267,1.9267,2.0227;.0283,2.2881,-2.0646;-1.1036,1.6394,3.3432;-1.9631,-1.9426,1.2546; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua-BF3/water/CONF92/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=W 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 15-agua-BF3/ CONF92 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1125 A 1011 A 1011 1432 1125 91 91 2122.4346475853 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0573936516 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.432451 0.000000 1.443405 2.298095 0.000000 1.402461 2.311522 2.304639 0.000000 1.438598 2.385309 2.394671 2.305740 0.000000 5.493033 6.638529 6.097854 4.463829 5.290974 0.000000 2.797459 1.828465 3.896412 2.824159 3.590899 6.722249 0.000000 5.054376 6.047259 5.187645 3.817322 5.654143 3.135355 6.158343 0.000000 4.694252 5.506198 4.908884 3.391625 5.475832 3.681799 5.449775 0.977296 0.000000 4.154003 4.145635 5.185875 3.049737 4.864784 5.032080 2.960409 4.352705 3.586217 0.000000 4.034578 4.276821 5.171602 2.890715 4.464025 4.192941 3.313338 4.130646 3.551306 1.043796 0.000000 4.830013 5.905280 4.704034 3.765625 5.469486 3.602209 6.289126 0.980249 1.543502 4.899912 4.722419 0.000000 3.754507 3.439672 4.867368 2.942926 4.500134 5.707160 2.009464 5.093987 4.317707 1.029813 1.671816 5.509171 0.000000 4.559356 5.693347 5.192207 3.499821 4.463126 0.965347 5.815178 2.692862 3.081111 4.287715 3.489027 3.104395 4.896661 0.000000 4.601657 5.717784 5.055350 3.417155 4.791835 1.566708 5.840964 1.701159 2.175902 4.148211 3.540848 2.180607 4.836705 0.993033 0.000000 3.642800 2.795926 4.789662 3.404102 4.340171 6.843396 0.973693 6.349889 5.591993 2.555474 3.013217 6.617980 1.526430 5.988762 6.025351 0.000000 3.919168 3.150830 5.213485 3.769131 4.292740 6.838963 1.551402 6.793120 6.114819 2.944562 3.122002 7.104839 2.014796 6.038245 6.231336 0.988350 0.000000 3.528489 4.877810 3.929562 3.363920 2.798972 3.273693 5.756702 4.541025 4.858871 5.650487 4.930475 4.353526 5.795147 2.763946 3.285870 6.288699 6.238382 0.000000 3.681482 4.995448 4.204025 3.130079 3.209476 2.348031 5.608559 3.752061 4.095177 5.023041 4.259470 3.721740 5.316576 1.780723 2.354552 6.025563 6.010380 0.983424 0.000000 2.687152 3.980398 3.264902 2.758516 1.823888 3.859927 4.930279 4.814003 4.942302 5.220321 4.570638 4.634594 5.207669 3.183267 3.659628 5.520089 5.455779 0.980197 1.563726 0.000000 4.712573 5.838441 4.062600 4.099164 5.396228 4.876101 6.682406 2.774530 3.097894 6.036023 5.937559 1.799638 6.412775 4.322910 3.601694 7.226457 7.768562 4.484716 4.220249 4.705597 0.000000 5.591471 6.703562 4.810580 5.050739 6.248569 5.544739 7.601069 3.434704 3.842135 6.949943 6.869236 2.470578 7.344558 5.097664 4.363997 8.156073 8.718751 5.209588 4.994439 5.505426 0.964867 0.000000 4.235267 5.473181 3.527737 3.835976 4.740684 4.757241 6.513317 3.272085 3.618544 6.174725 5.975384 2.363240 6.454757 4.174184 3.646127 7.137967 7.598533 3.762176 3.678342 3.983883 0.988669 1.567151 0.000000 4.331959 4.855009 5.530774 3.310246 4.292538 3.283599 4.204461 4.334824 4.069952 2.525127 1.482224 4.935530 2.982285 2.738058 3.185918 4.022001 3.826900 4.194117 3.491737 3.980655 6.178953 7.096026 6.066750 0.000000 4.264674 5.049456 5.297058 3.159032 4.202793 2.333145 4.701301 3.593675 3.509637 3.004305 2.022925 4.173645 3.568857 1.754831 2.264712 4.669387 4.585249 3.541674 2.718488 3.518394 5.448395 6.333563 5.330036 0.985313 0.000000 3.872471 4.360876 5.175497 3.128905 3.603344 3.704017 3.853305 4.924476 4.676735 2.958917 2.007033 5.384152 3.096709 3.102282 3.680142 3.783440 3.431421 3.837382 3.331619 3.468697 6.403442 7.338918 6.149372 0.987920 1.562296 0.000000 5.700311 6.802819 6.351775 5.673895 4.506409 4.331694 7.455133 6.771835 7.158280 7.348680 6.424339 6.782526 7.466419 4.320063 5.196073 7.837372 7.458705 2.742284 3.128711 3.134531 7.107480 7.750017 6.389285 5.206436 4.748472 4.680777 0.000000 6.043166 7.138614 6.563558 6.204058 4.772462 5.174462 7.962608 7.457072 7.857862 8.114572 7.228919 7.367546 8.164333 5.134313 5.954246 8.420598 8.043382 3.175556 3.766587 3.516676 7.486849 8.073268 6.688886 6.073637 5.626471 5.490103 0.965060 0.000000 4.865762 6.054366 5.447017 4.811783 3.764420 3.788187 6.793480 5.938376 6.312210 6.695281 5.822398 5.888143 6.821176 3.630092 4.432988 7.231365 6.955097 1.757798 2.227990 2.222874 6.150188 6.811919 5.424473 4.729590 4.190907 4.238831 0.986387 1.551942 0.000000 5.718163 6.329229 6.833426 5.748940 4.503421 5.378622 6.482775 7.712765 7.792969 6.645847 5.735965 7.939740 6.556311 5.185512 6.114167 6.650864 5.984612 4.253598 4.413309 4.051717 8.530389 9.347796 7.915553 4.516465 4.603864 3.731042 2.742621 3.229244 3.130089 0.000000 5.603673 6.413938 6.577309 5.613643 4.352556 4.874448 6.763713 7.304319 7.492658 6.818892 5.883290 7.463944 6.810957 4.741521 5.681356 7.018224 6.457787 3.579146 3.811158 3.550604 7.976458 8.743153 7.321906 4.623960 4.499285 3.916587 1.758260 2.294492 2.233007 0.986021 0.000000 6.385896 6.984994 7.547142 6.244048 5.267942 5.334511 6.943119 7.872307 7.970947 6.765414 5.808702 8.200677 6.771029 5.272293 6.232174 6.992044 6.294743 4.797305 4.794106 4.704156 8.960545 9.777834 8.412973 4.485753 4.609983 3.829735 3.157587 3.757766 3.633079 0.965153 1.549530 0.000000 4.255081 4.594257 4.572339 3.052729 5.358280 5.096210 4.217173 2.832036 1.865664 2.607418 3.102279 3.122143 3.126742 4.328960 3.650272 4.286543 5.007216 5.695184 5.068371 5.453647 4.091658 4.877805 4.548489 4.214404 4.060243 4.714440 8.040456 8.716529 7.189407 8.169819 8.057361 8.411209 0.000000 3.761837 4.146970 3.819905 2.750560 4.982730 5.388706 4.131959 3.013997 2.176328 3.230031 3.678684 2.984840 3.517163 4.558498 3.875547 4.413045 5.182687 5.469825 4.978767 5.181021 3.514169 4.296899 3.928936 4.702251 4.482957 5.045662 7.985501 8.575647 7.080680 8.270863 8.105522 8.616790 0.990448 0.000000 5.105726 5.300916 5.340673 3.971954 6.270644 5.868008 4.789063 3.395016 2.445183 3.117707 3.771994 3.701782 3.634066 5.166126 4.432911 4.762190 5.549559 6.646590 6.005293 6.416401 4.640543 5.317059 5.222920 4.978575 4.879639 5.539110 8.988437 9.673948 8.142368 9.076553 8.989450 9.285949 0.965791 1.564891 0.000000 4.753596 4.209823 6.161110 4.726965 4.585185 7.006704 3.087995 7.693311 7.163405 4.087349 3.862099 8.053881 3.403219 6.338514 6.780286 2.734317 1.749703 6.342258 6.189866 5.591017 8.778561 9.740551 8.485023 3.946550 4.788949 3.308288 6.895122 7.462491 6.608958 4.900380 5.575838 5.132361 6.377604 6.600388 7.005835 0.000000 5.493250 5.032207 6.917213 5.271157 5.334654 7.046508 3.750626 7.864488 7.337619 4.120665 3.855031 8.329318 3.589915 6.463603 6.924491 3.203219 2.267140 6.797895 6.538124 6.136613 9.221579 10.186246 8.987314 3.873610 4.801516 3.383235 7.197453 7.838045 6.974170 5.085434 5.811421 5.136380 6.600004 6.954311 7.175991 0.965225 0.000000 4.224560 3.957000 5.659527 4.186753 3.859116 6.212196 3.160348 7.128084 6.695212 3.975513 3.538695 7.460825 3.421472 5.560376 6.080245 3.012100 2.136900 5.429827 5.303617 4.706412 8.167873 9.125218 7.814764 3.342396 4.096217 2.555977 5.911816 6.488516 5.628445 4.001922 4.625420 4.288047 6.133310 6.320554 6.859193 0.985067 1.548968 0.000000 3.600607 4.940767 2.881161 3.702388 3.681293 4.995258 6.284748 4.481926 4.773535 6.534693 6.200112 3.750018 6.620688 4.379227 4.230895 7.027195 7.328270 2.805236 3.179923 2.919166 2.721272 3.210995 1.741812 6.065152 5.397604 5.873014 5.308290 5.428965 4.358972 6.909645 6.279272 7.542719 5.492115 4.854331 6.303179 7.973071 8.579419 7.224936 0.000000 3.448293 4.866710 3.127498 3.441270 3.246099 4.239772 6.081947 4.299943 4.641378 6.182128 5.709915 3.733065 6.304425 3.654092 3.690180 6.763811 6.953816 1.837968 2.271651 2.096317 3.158342 3.760633 2.247568 5.379319 4.685715 5.150737 4.362849 4.552004 3.402231 6.006356 5.347291 6.609853 5.469468 4.973727 6.349599 7.430249 7.989322 6.618876 0.981347 0.000000 2.824137 4.083142 1.934698 3.151687 3.101506 5.379995 5.531083 4.676907 4.770789 6.115655 5.880073 3.990245 6.074835 4.636346 4.483427 6.331553 6.672265 3.053673 3.441664 2.844869 2.995632 3.598784 2.136720 5.903674 5.364513 5.644985 5.612270 5.744916 4.656926 6.863818 6.345663 7.547468 5.152755 4.438069 5.962279 7.410213 8.077138 6.727753 0.970832 1.530336 0.000000 3.552673 3.897455 4.918347 3.475257 2.794165 4.870038 3.762913 6.188902 5.966639 4.176586 3.444556 6.440594 3.905864 4.252959 4.912834 3.924253 3.346168 3.779188 3.717193 3.139981 7.080251 8.007647 6.616291 2.733221 3.128728 1.745815 4.206292 4.813305 3.876889 2.746827 3.115098 3.195028 5.860197 5.958711 6.727256 2.733378 3.156217 1.754025 5.889606 5.163365 5.547666 0.000000 4.258564 4.730482 5.532028 4.236510 3.252535 4.903674 4.733369 6.662940 6.563714 5.036221 4.213092 6.907517 4.847666 4.436332 5.229374 4.897476 4.271818 3.746864 3.775395 3.250727 7.533386 8.426164 7.002017 3.232952 3.501248 2.294179 3.521735 4.116893 3.394595 1.761798 2.206883 2.269974 6.661772 6.761651 7.549760 3.404821 3.722198 2.435422 6.148469 5.334823 5.919298 0.985354 0.000000 2.704533 3.197899 4.018437 2.873700 1.817844 4.889170 3.490693 5.920572 5.710847 4.288959 3.659020 6.030146 3.959769 4.170581 4.743736 3.889276 3.486240 3.219523 3.323011 2.422548 6.451390 7.365190 5.918455 3.146193 3.341957 2.232962 4.086274 4.584174 3.592540 3.162526 3.311563 3.793474 5.598063 5.538967 6.501116 3.235370 3.839363 2.334109 5.074934 4.409294 4.670276 0.980155 1.574095 0.000000 3.569763 4.080747 2.956292 3.104572 4.841408 6.130087 4.747397 3.777213 3.279043 4.738721 5.073762 3.264742 4.802225 5.285923 4.632060 5.317434 6.082170 5.423232 5.196865 5.119228 2.796064 3.445118 3.083744 5.892233 5.558306 6.031540 8.124741 8.545313 7.157700 8.744040 8.468134 9.241246 2.737489 1.755398 3.154869 7.467202 7.993082 7.118600 3.953834 4.395121 3.441780 6.579392 7.321607 5.930391 0.000000 2.726713 3.269944 2.005682 2.564242 4.011531 6.092592 4.213979 4.181065 3.729380 4.698391 4.951782 3.667937 4.604273 5.196450 4.698941 4.911893 5.610841 4.911421 4.823516 4.485083 3.095132 3.818065 3.071867 5.674996 5.386031 5.657754 7.576577 7.940941 6.617385 8.126112 7.867483 8.692530 3.178201 2.233513 3.755506 6.918451 7.526898 6.539645 3.494020 3.913705 2.806497 5.972768 6.704760 5.245403 0.969433 0.000000 2.022306 2.644196 2.632170 3.167255 0.964506 6.149459 4.057887 6.536654 6.370644 5.717315 5.362005 6.278680 5.254462 5.356980 5.701470 4.868879 4.778247 3.379285 3.965751 2.446060 6.006592 6.799032 5.276760 5.188940 5.133705 4.434364 4.789448 4.876119 4.133786 4.758462 4.626095 5.615157 6.195594 5.744934 7.082316 4.960294 5.786979 4.287512 4.009001 3.675008 3.381718 3.352040 3.688096 2.396553 5.405586 4.503093 0.000000 3.878946 4.665236 3.193744 3.326507 4.969296 5.648809 5.419490 3.236831 2.972794 5.131503 5.311586 2.544230 5.331770 4.878814 4.167533 5.983815 6.673771 5.040379 4.794090 4.904733 1.825284 2.475205 2.219628 5.941860 5.454283 6.123301 7.772361 8.182363 6.793615 8.678586 8.301848 9.157185 3.030362 2.168418 3.507359 7.935618 8.433695 7.486239 3.382709 3.863747 3.087536 6.736476 7.387141 6.081542 0.980684 1.532693 5.562971 0.000000 3.958749 4.091058 4.755125 2.741794 4.867196 4.908465 3.222317 3.634091 2.774020 1.009948 1.672694 4.113032 1.655455 4.120284 3.764888 3.049617 3.633527 5.509717 4.870221 5.137426 5.207045 6.092889 5.442590 3.034718 3.217828 3.509978 7.508438 8.243502 6.762076 7.151143 7.202020 7.331164 1.599072 2.256326 2.177593 4.915921 5.052016 4.737265 5.998876 5.760281 5.593923 4.711490 5.562646 4.643733 3.855561 3.947090 5.734214 4.234541 0.000000 BF3H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48;49/rA:49nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2568,.4653,-1.7875;-.0135,1.767,-2.3208;1.4064,-.0305,-2.5058;.6049,.5834,-.4341;-.8761,-.4152,-1.8922;-.0154,-2.1693,3.0248;-.5096,3.0784,-1.1472;2.7124,-.7279,2.4661;2.6712,.2197,2.2307;.1209,2.6885,1.7189;-.4679,1.8531,1.9309;3.1764,-1.142,1.7084;-.2307,3.0998,.8427;.157,-1.5601,2.2961;1.1075,-1.2858,2.3821;-.8187,3.6755,-.4429;-1.7879,3.4949,-.3731;-.4609,-2.5979,-.19;-.2382,-2.2145,.6878;-.6834,-1.8337,-.762;3.925,-1.7397,.1849;4.7273,-2.2749,.1543;3.2707,-2.1749,-.4151;-1.3688,.7122,2.2203;-.8228,-.1042,2.2988;-1.9203,.5683,1.4134;-2.8581,-3.862,.2289;-3.0176,-4.4526,-.5175;-1.9826,-3.4446,.0493;-4.6051,-1.7479,.2524;-4.0114,-2.5351,.2574;-4.9846,-1.7126,1.1391;2.5973,1.9156,1.4566;2.9455,1.6119,.5805;3.235,2.5583,1.7927;-3.4577,2.9915,-.2326;-3.8103,3.2612,.6245;-3.3184,2.0191,-.1594;2.0115,-2.6668,-1.5135;1.1812,-2.7619,-.9992;1.878,-1.8374,-2.0001;-2.8403,.3349,-.0519;-3.4873,-.4017,.047;-2.2028,.0531,-.7409;3.6726,.8548,-.8264;2.9534,.6974,-1.4572;-1.1527,-.57,-2.8031;3.8723,-.0392,-.4763;1.075,2.3911,1.5731; 0.2350852 0.1923517 0.1565073 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 1011 RedAO= T EigKep= 3.13D-05 NBF= 1011 NBsUse= 1011 1.00D-06 EigRej= -1.00D+00 NBFU= 1011 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1074 1074 1074 1074 1074 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1471.95739805637 -1472.00667226835 -0.049274211976 -1472.00687567787 -0.000203409520 -1472.00704031212 -0.000164634248 -1472.00705181374 -0.000011501621 -1472.00705290995 -0.000001096213 -1472.00705293756 -0.000000027605 -1472.00705294938 -0.000000011821 -1472.00705294951 -0.000000000136 -1472.00705295 9 1.466919829880e+03 -7.731077293071e+03 2.669756662652e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15096934256 LenY= 15095667506 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT6798.900S Fri Jul 19 08:14:30 2024 -24.64570 -24.64291 -24.63552 -19.16811 -19.13816 -19.12925 -19.12885 -19.12747 -19.12378 -19.12269 -19.12256 -19.12204 -19.12191 -19.12104 -19.12057 -19.12019 -19.11951 -19.11608 -6.84427 -1.19444 -1.15184 -1.15010 -1.07195 -1.02917 -1.02645 -1.02102 -1.02050 -1.01828 -1.01550 -1.01210 -1.00677 -1.00636 -1.00356 -1.00190 -0.99561 -0.99436 -0.99281 -0.57484 -0.57111 -0.56438 -0.54586 -0.54326 -0.53994 -0.53817 -0.53710 -0.53296 -0.53289 -0.53071 -0.52885 -0.52848 -0.52770 -0.52687 -0.52383 -0.51540 -0.49836 -0.49069 -0.44571 -0.44324 -0.44146 -0.43187 -0.42658 -0.42166 -0.41810 -0.41585 -0.41300 -0.40520 -0.40001 -0.39649 -0.39394 -0.39019 -0.38483 -0.38339 -0.38116 -0.37706 -0.37193 -0.36796 -0.35581 -0.33793 -0.33394 -0.33079 -0.32916 -0.32782 -0.32639 -0.32545 -0.32386 -0.32250 -0.32210 -0.32161 -0.32058 -0.31927 -0.31644 -0.00674 0.01575 0.02051 0.02240 0.04698 0.04848 0.05419 0.06175 0.06259 0.08255 0.08548 0.09217 0.10021 0.10299 0.10737 0.11243 0.11665 0.12230 0.12405 0.12687 0.13151 0.13286 0.14131 0.14503 0.14561 0.15240 0.15738 0.15929 0.16324 0.16916 0.16971 0.17281 0.17668 0.17809 0.18172 0.18629 0.18893 0.19444 0.19854 0.20321 0.20532 0.20696 0.21091 0.21402 0.21826 0.22074 0.22335 0.22415 0.22923 0.23150 0.23566 0.23799 0.24227 0.24685 0.24800 0.25208 0.25635 0.25935 0.26189 0.26404 0.26656 0.27179 0.27459 0.27620 0.28042 0.28143 0.28187 0.28526 0.28735 0.29081 0.29603 0.29882 0.30190 0.30445 0.30517 0.30679 0.30985 0.31122 0.31460 0.32337 0.32670 0.33506 0.33678 0.34431 0.35013 0.35844 0.36354 0.36850 0.37500 0.38290 0.38728 0.39693 0.40111 0.41442 0.41953 0.42369 0.42999 0.44477 0.44613 0.45722 0.46232 0.46903 0.47080 0.47398 0.47830 0.48782 0.48842 0.49000 0.50167 0.51035 0.51350 0.51650 0.52019 0.52247 0.52879 0.53152 0.53816 0.54510 0.54713 0.54925 0.55309 0.55900 0.56046 0.57041 0.57334 0.57711 0.58018 0.58336 0.58903 0.59659 0.59792 0.60237 0.60633 0.60769 0.61447 0.61842 0.62035 0.62727 0.63555 0.63641 0.64240 0.64928 0.65252 0.65703 0.66059 0.66525 0.66750 0.67268 0.68456 0.69333 0.69575 0.70469 0.71065 0.71361 0.71686 0.72235 0.73266 0.73530 0.74166 0.74475 0.75277 0.76288 0.77116 0.77243 0.78219 0.78521 0.79366 0.80219 0.80434 0.81876 0.82573 0.82751 0.83534 0.83753 0.84185 0.84742 0.85605 0.85713 0.86449 0.86824 0.87237 0.87549 0.87752 0.88104 0.88150 0.88786 0.89618 0.90244 0.90620 0.91289 0.91780 0.92128 0.92630 0.92981 0.93278 0.93421 0.94172 0.94430 0.95130 0.95735 0.96075 0.96267 0.97300 0.97824 0.98133 0.98492 0.98847 0.99374 0.99705 0.99817 1.00540 1.01040 1.01435 1.01867 1.01938 1.02473 1.02845 1.03202 1.03726 1.04247 1.04961 1.05254 1.05834 1.06010 1.06458 1.06863 1.07120 1.07612 1.07956 1.08417 1.08601 1.09119 1.09353 1.09463 1.10309 1.10644 1.11114 1.11369 1.11853 1.11997 1.12344 1.12591 1.13017 1.13457 1.14170 1.14946 1.15093 1.15785 1.16137 1.16614 1.17145 1.17726 1.18270 1.18564 1.19083 1.19763 1.19985 1.20982 1.21199 1.21424 1.22248 1.22352 1.23835 1.24104 1.24581 1.24969 1.25645 1.26287 1.26920 1.27187 1.27430 1.28119 1.28979 1.29987 1.30442 1.30593 1.30832 1.31575 1.32235 1.33073 1.33940 1.34424 1.34954 1.35151 1.36037 1.36484 1.37513 1.37748 1.38037 1.38845 1.39289 1.39333 1.40740 1.41389 1.41920 1.42550 1.42742 1.43590 1.44697 1.44856 1.45912 1.46268 1.46801 1.47370 1.47744 1.48178 1.48769 1.49531 1.50327 1.50687 1.51085 1.51827 1.52733 1.53357 1.53638 1.54290 1.55719 1.55852 1.56214 1.56597 1.57142 1.57550 1.58192 1.59218 1.59972 1.60198 1.60393 1.61289 1.62027 1.62671 1.63957 1.64900 1.65777 1.66259 1.66647 1.67232 1.67738 1.68909 1.69284 1.69838 1.71396 1.72179 1.72975 1.73391 1.74248 1.76007 1.76499 1.77169 1.78260 1.78390 1.80176 1.80967 1.81968 1.82375 1.83443 1.83766 1.84773 1.86983 1.87791 1.88780 1.89729 1.90150 1.91144 1.92954 1.93448 1.93978 1.96810 1.98438 1.99346 2.00238 2.01220 2.03511 2.04813 2.06694 2.09386 2.10418 2.11517 2.12950 2.14552 2.16252 2.17714 2.17966 2.19134 2.21003 2.21716 2.22314 2.23572 2.24932 2.25860 2.26042 2.26591 2.27721 2.28314 2.29398 2.30397 2.30832 2.32388 2.33279 2.34902 2.36711 2.38882 2.39179 2.39833 2.41600 2.42649 2.45137 2.57015 2.58540 2.61267 2.70168 2.71479 2.71839 2.73919 2.75593 2.76204 2.76725 2.77212 2.77616 2.79049 2.79698 2.80418 2.81549 2.82062 2.82592 2.83407 2.85185 2.86376 2.87038 2.88469 2.89483 2.89876 2.90297 2.92278 2.94558 2.95971 2.99598 2.99897 3.01753 3.02277 3.03025 3.03752 3.05858 3.08424 3.13021 3.13458 3.15367 3.16112 3.16196 3.16828 3.16964 3.18162 3.18834 3.19209 3.21999 3.22704 3.23615 3.24873 3.26821 3.27172 3.27870 3.28527 3.29445 3.29961 3.30987 3.32576 3.32895 3.33449 3.34073 3.34493 3.35102 3.35428 3.36462 3.37417 3.38903 3.39241 3.39578 3.40621 3.40714 3.41566 3.42136 3.42189 3.42862 3.43858 3.44609 3.44926 3.45538 3.45858 3.46727 3.47193 3.48018 3.48324 3.49647 3.49723 3.50350 3.50497 3.51257 3.52176 3.53585 3.53862 3.54625 3.56045 3.56515 3.56710 3.57656 3.58577 3.58723 3.59410 3.59886 3.61031 3.61102 3.62458 3.63099 3.63961 3.64259 3.65096 3.66755 3.68164 3.69560 3.74026 3.77795 3.81542 3.82726 3.83264 3.84101 3.84831 3.85957 3.92720 3.92913 3.93868 3.95668 3.97097 3.98919 4.00544 4.01331 4.02829 4.03056 4.03933 4.04376 4.06294 4.06679 4.07267 4.08869 4.09758 4.11674 4.12891 4.13534 4.14822 4.15857 4.16613 4.17962 4.18356 4.19312 4.19479 4.20099 4.21427 4.22495 4.22873 4.25029 4.25898 4.26562 4.27731 4.28543 4.29961 4.30345 4.31078 4.32094 4.32592 4.34052 4.34172 4.34578 4.34886 4.36520 4.36866 4.38346 4.39004 4.39822 4.40318 4.42159 4.44324 4.45025 4.50309 4.63112 4.64237 4.64759 4.65107 4.65291 4.65754 4.67694 4.69619 4.71231 4.71846 4.71991 4.73757 4.74031 4.75276 4.76216 4.76460 4.77435 4.77897 4.78908 4.79578 4.80322 4.82257 4.83702 4.83825 4.84884 4.86217 4.87086 4.87334 4.88434 4.88670 4.89695 4.90071 4.91135 4.91721 4.93624 4.94530 4.94688 4.95169 4.96569 4.98495 5.00290 5.00900 5.03887 5.04089 5.04293 5.04429 5.04744 5.05520 5.06868 5.06964 5.07583 5.07802 5.08333 5.08613 5.11984 5.12538 5.14783 5.15292 5.15467 5.16260 5.17891 5.18876 5.20330 5.21085 5.22370 5.23131 5.23556 5.24342 5.25276 5.26294 5.26375 5.26993 5.28145 5.28584 5.29016 5.29301 5.30158 5.30353 5.31344 5.32248 5.32810 5.33309 5.34227 5.35141 5.35242 5.36220 5.37622 5.38398 5.38467 5.38686 5.39638 5.40251 5.40436 5.40706 5.41015 5.41919 5.42357 5.43282 5.43430 5.43745 5.44349 5.45204 5.45611 5.46367 5.47209 5.47353 5.48220 5.48751 5.49271 5.49982 5.50198 5.50955 5.52177 5.53395 5.54488 5.55313 5.55855 5.56511 5.57302 5.57506 5.57615 5.57921 5.58285 5.58343 5.58795 5.58931 5.59347 5.59607 5.60243 5.60492 5.60962 5.61289 5.61589 5.62301 5.63135 5.64182 5.65158 5.65635 5.66668 5.67635 5.68330 5.68930 5.69603 5.71274 5.71875 5.72694 5.73288 5.73882 5.75129 5.76163 5.78841 5.79795 5.80819 5.81438 5.83033 5.83823 5.86272 5.89807 5.90830 5.91664 5.93211 5.94335 5.96219 5.96715 5.98561 5.99379 6.00227 6.01151 6.05125 6.17819 6.50761 6.53289 6.54980 6.60542 6.62414 6.64650 6.65824 6.66243 6.67052 6.68407 6.72940 6.73048 6.74902 6.75274 6.78211 6.79002 6.83597 6.86607 6.87235 6.94310 6.94514 6.95592 6.95757 6.96657 6.96941 6.98071 6.98841 6.99074 6.99661 6.99821 7.00798 7.00961 7.01714 7.02756 7.03055 7.04092 7.04922 7.05794 7.06693 7.08103 7.09720 7.10149 7.10938 7.11598 7.12671 7.13588 7.15065 7.15293 7.17236 7.17649 7.18415 7.26398 7.33177 7.38218 7.42850 7.47654 7.49210 7.67013 8.07257 8.10179 14.37954 14.38391 14.38440 14.38834 14.39263 14.39419 14.39545 14.39627 14.39856 14.40386 14.40485 14.40560 14.41081 14.41569 14.42059 14.42310 14.42484 14.42694 14.42988 14.43669 14.43734 14.44107 14.44596 14.44691 14.45155 14.45341 14.45648 14.46057 14.46260 14.46810 14.46958 14.47227 14.47875 14.48402 14.48806 14.49115 14.50877 14.51609 14.51744 14.52039 14.52739 14.54426 14.54924 14.57136 14.60228 14.66865 14.67082 14.67513 14.67635 14.67784 14.68393 14.68471 14.68863 14.69057 14.69889 14.70153 14.71614 14.72173 14.78304 14.84240 14.88814 15.00521 15.05301 15.05550 15.05649 15.06020 15.06197 15.06286 15.06508 15.06793 15.07053 15.07519 15.08264 15.09162 15.09503 16.07710 19.36070 19.37720 19.39580 19.40655 19.41128 19.42208 19.43864 19.46810 19.49103 19.50027 19.52124 19.58471 19.60491 19.65343 19.68993 50.01331 50.02176 50.03001 50.03269 50.03830 50.04190 50.04945 50.06713 50.07459 50.08381 50.08781 50.10665 50.11755 50.14730 50.21885 67.01335 67.07420 67.09637 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H 1.229299 -0.524763 -0.442597 -0.393647 -1.026370 0.306604 0.340782 -0.883069 0.423202 -1.014148 0.693047 0.446059 0.655775 -0.846812 0.520544 -0.851288 0.485928 -0.900035 0.481455 0.446491 -0.797435 0.316639 0.484628 -1.045913 0.506387 0.528181 -0.830696 0.302467 0.511350 -0.799625 0.497908 0.291450 -0.811893 0.484987 0.315250 -0.802877 0.288606 0.490561 -0.772598 0.413483 0.324526 -0.919655 0.510064 0.444021 -0.776739 0.325061 0.316548 0.423453 0.635407 -0.00000 0.4887 -3.2586 5.0551 6.0342 -114.8837 -127.5723 -125.7590 6.2609 2.3773 12.2986 7.8546 -4.8339 -3.0207 6.2609 2.3773 12.2986 80.5694 -43.1942 -5.9798 23.1721 -24.1147 72.4743 -41.2334 -25.6628 47.2745 -10.8169 -4051.8821 -3378.5492 -1766.6546 -192.2688 -197.1418 168.0325 172.3390 18.9429 -33.0146 -1039.2951 -1030.9119 -808.3951 169.1021 86.6963 116.0217 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-HORCAJUELO LAMSABHI 19-Jul-2024 0 Single Point 15-agua-BF3/ CONF92 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1472.0070529 RMSD=4.949e-09 Dipole=1.7199795,-1.1872654,1.1261363 Quadrupole=-5.8308034,2.3063046,3.5244988,4.8162762,-9.1864024,-0.9869554 PG=C01 [X(B1F3H30O15)] 0 -0.9914252193 1.4550648115 -0.5297006517 0 -2.2709514782 1.3427283652 -1.1638222691 0 -1.0613901925 2.6291239499 0.3070237866 0 -0.785864678 0.3410356903 0.2970896513 0 0.0864099598 1.5230976012 -1.4800721129 0 2.9397821815 -1.8260021757 1.458670363 0 -2.9857802427 -0.3308143818 -1.3414650909 0 0.7220080697 -1.0272667391 3.5260234377 0 -0.2051684038 -1.1933564699 3.2655151959 0 -1.936005286 -2.4816018745 0.400976967 0 -0.9498958475 -2.5355164441 0.0630536655 0 0.7490249371 -0.0651290421 3.711628131 0 -2.4818376123 -1.9843699096 -0.3168959143 0 2.1168867406 -1.3674281716 1.247842795 0 1.6371194984 -1.247421113 2.1089679289 0 -3.2378147416 -1.2669416556 -1.4321465781 0 -2.7920290013 -1.5639081963 -2.2627621591 0 2.484980962 0.9959258916 -0.1372434029 0 2.3382568188 0.1564607224 0.3535650524 0 1.6730455894 1.1354442209 -0.6683573441 0 0.6377241578 1.7227545117 3.8842046038 0 0.9035321346 2.2036303563 4.6773462783 0 1.0308656721 2.2042216236 3.1153771454 0 0.422668886 -2.6393654028 -0.4867355901 0 1.0473812445 -2.2276880512 0.1544335912 0 0.4595318851 -2.0554408245 -1.2827627811 0 4.4099309561 0.3558601955 -1.9825088909 0 4.7688641856 1.1789965738 -2.3359971844 0 3.7394159531 0.6295447956 -1.3128338123 0 2.94960907 -1.0122889945 -3.8580344275 0 3.5127199339 -0.5326866557 -3.2060184409 0 3.2854338777 -1.9171142788 -3.8638507959 0 -1.9704603944 -1.1832780356 2.6619057853 0 -2.0490472631 -0.196130923 2.6806583657 0 -2.6285590574 -1.5185468571 3.2842031459 0 -1.8418018011 -2.0205389965 -3.6591919501 0 -1.7366396921 -2.9796814053 -3.6846140852 0 -0.9669554699 -1.6730786249 -3.3688955466 0 1.4881274481 2.9512831035 1.6098138386 0 1.9521223203 2.2784469305 1.0666367149 0 0.618386225 3.0196110582 1.1839078325 0 0.4790294341 -0.9800737589 -2.6579271168 0 1.3562573204 -0.9910625918 -3.1065615406 0 0.3591337244 -0.0732096336 -2.3058949226 0 -1.9736863449 1.543737387 2.9011164168 0 -1.8266621757 1.926665241 2.0227367656 0 0.028320943 2.2881042771 -2.0645902705 0 -1.1035597385 1.6393730848 3.3432414109 0 -1.9630536935 -1.9425597642 1.2546148412