Gaussian 16 GINC-GANDULLAS LAMSABHI Optimization 14H2OBF3OH CONF160 water EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 91 91 592 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(BF3H29O15)] C1[X(BF3H29O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 307.7972096 -1 1 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3711,1.4368,-.4219;1.8441,.7631,-1.5744;2.4735,1.763,.3879;.7924,2.6636,-.8571;.4209,.5959,.2486;-.4255,-2.2123,-.8126;.8849,-.6708,1.4046;-.4688,-.6461,-3.3832;-.7568,-.9573,-2.493;-.108,4.2066,1.7032;.1238,4.052,.7805;.3494,-.171,-3.1982;.7014,3.9888,2.1774;-1.0547,-1.453,-.8649;-.5801,-.7018,-.4526;1.0823,-1.3352,2.1009;.8673,-2.1808,1.6917;-3.3064,1.4426,.0843;-3.4456,.4697,.149;-2.7918,1.57,-.736;-3.2811,-1.8235,2.9448;-4.0205,-1.363,3.3531;-2.4866,-1.3053,3.216;.7808,-3.4531,-.9848;.7144,-3.5098,-1.958;1.6022,-2.9326,-.8549;3.063,-1.9006,-.9338;2.678,-1.0902,-1.2865;3.3759,-1.642,-.0437;-3.5574,-1.2634,.2721;-3.4558,-1.4693,1.226;-2.6806,-1.4451,-.1189;.7318,-3.1991,-3.7935;1.6714,-3.0035,-3.8689;.3088,-2.321,-3.7572;-1.1207,-.3694,3.6531;-1.2541,.4393,3.1218;-.3629,-.7996,3.2198;3.7994,-1.0193,1.6073;3.816,-.0798,1.3956;2.8855,-1.1669,1.9215;-1.7867,1.974,-2.226;-1.505,1.1545,-2.6529;-.9817,2.304,-1.8092;-1.3745,1.733,1.8814;-1.05,2.655,1.9012;-.2044,1.0686,.8516;-2.1378,1.6988,1.2473; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6521630/Gau-2131759.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6521630/" chk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/water/CONF160/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 14H2OBF3OH CONF160 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 1 1 1 5 5 5 6 6 7 8 8 8 9 10 10 10 14 14 16 16 16 18 18 18 19 20 21 21 21 23 24 24 25 26 27 27 29 30 30 33 33 36 36 37 39 39 42 42 45 45 45 2 3 4 5 7 15 47 14 24 16 9 12 35 14 11 13 46 15 32 17 38 41 19 20 48 30 42 22 23 31 36 25 26 33 27 28 29 39 31 32 34 35 37 38 45 40 41 43 44 46 47 48 1.4163 1.4062 1.4246 1.4352 1.7766 1.7826 0.9889 0.9875 1.7391 0.9824 0.986 0.9641 1.8842 1.7278 0.9639 0.9631 1.8259 0.9795 1.7889 0.9637 1.9045 1.8199 0.9849 0.9766 1.6685 1.7411 1.8422 0.962 0.9865 1.7636 1.7124 0.9771 0.9811 1.8617 1.7903 0.964 0.9783 1.8147 0.9812 0.9771 0.9627 0.9753 0.9768 0.9732 1.7963 0.9632 0.9776 0.966 0.9647 0.9776 1.6944 0.9929 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 2 2 2 3 3 4 1 1 1 7 7 15 9 9 12 11 11 13 6 6 6 9 9 15 7 7 7 17 17 38 19 19 20 22 22 23 6 6 25 26 26 28 19 19 31 25 25 34 23 23 37 29 29 40 20 20 43 37 37 37 46 46 47 1 1 1 1 1 1 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 16 16 16 16 16 16 18 18 18 21 21 21 24 24 24 27 27 27 30 30 30 33 33 33 36 36 36 39 39 39 42 42 42 45 45 45 45 45 45 3 4 5 4 5 5 7 15 47 15 47 47 12 35 35 13 46 46 9 15 32 15 32 32 17 38 41 38 41 41 20 48 48 23 31 31 25 26 26 28 29 29 31 32 32 34 35 35 37 38 38 40 41 41 43 44 44 46 47 48 47 48 48 108.4908 107.258 108.8212 107.1404 112.699 112.2302 123.2877 127.9213 115.0508 83.3122 96.2695 103.4615 103.3105 91.1018 97.2303 103.4712 95.2562 100.8375 99.244 104.997 124.0821 95.3415 123.2545 105.1573 104.3321 94.2329 93.8218 109.0852 105.086 141.6056 104.9854 101.8236 101.3292 104.5349 103.9648 104.0177 95.3282 100.9012 102.6822 100.0688 111.9162 103.7933 105.7194 95.6907 104.8938 96.9085 96.2849 104.0754 101.8154 105.4187 103.3114 97.9781 91.2853 103.5398 109.3023 100.4221 103.7557 130.0122 95.2181 117.8811 98.7949 107.4976 97.4315 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 14 5 8 5 18 18 21 24 24 27 21 14 8 36 16 16 10 5 18 14 5 8 5 18 18 21 24 24 27 21 14 8 36 16 16 10 5 18 6 7 9 15 19 20 23 25 26 29 31 32 35 37 38 41 46 47 48 6 7 9 15 19 20 23 25 26 29 31 32 35 37 38 41 46 47 48 24 16 14 14 30 42 36 33 27 39 30 30 33 45 36 39 45 45 45 24 16 14 14 30 42 36 33 27 39 30 30 33 45 36 39 45 45 45 2 6 1 12 1 3 6 1 5 1 1 10 6 6 10 1 1 20 2 2 6 1 12 1 3 6 1 5 1 1 10 6 6 10 1 1 20 2 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 173.7611 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 182.0983 173.8065 177.53 175.6106 178.2797 179.4522 166.6277 180.1165 173.5389 179.9975 170.7949 171.0613 169.0191 168.7191 168.4092 166.1941 177.8219 173.5439 187.7185 184.9563 184.1435 175.4176 179.2373 185.5938 178.3682 177.0686 190.9249 178.1814 180.6214 174.9131 182.8406 182.0854 174.8106 187.2611 177.8976 174.1682 185.7395 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 2 2 2 3 3 3 4 4 4 1 1 1 7 7 7 47 47 47 1 1 1 15 15 15 47 47 47 1 1 1 7 7 7 15 15 15 12 12 12 35 35 35 9 9 12 12 11 11 11 13 13 13 9 9 15 15 32 32 6 6 9 9 15 15 7 7 17 17 41 41 7 7 17 17 38 38 20 20 48 48 19 19 48 48 19 19 19 20 20 20 22 22 23 23 22 22 31 31 6 6 25 25 6 6 26 26 26 26 28 28 23 23 23 38 38 38 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 21 21 21 21 21 21 21 21 24 24 24 24 24 24 24 24 27 27 27 27 36 36 36 36 36 36 5 5 5 5 5 5 5 5 5 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 45 45 45 45 45 45 45 45 45 14 14 14 14 14 14 33 33 33 33 45 45 45 45 45 45 24 24 24 24 24 24 30 30 30 30 30 30 36 36 36 36 36 36 39 39 39 39 39 39 30 30 30 30 42 42 42 42 45 45 45 45 45 45 30 30 30 30 36 36 36 36 27 27 27 27 33 33 33 33 39 39 39 39 45 45 45 45 45 45 7 15 47 7 15 47 7 15 47 6 9 32 6 9 32 6 9 32 17 38 41 17 38 41 17 38 41 37 46 48 37 46 48 37 46 48 6 15 32 6 15 32 25 34 25 34 37 47 48 37 47 48 25 26 25 26 25 26 19 31 19 31 19 31 23 37 23 37 23 37 29 40 29 40 29 40 31 32 31 32 43 44 43 44 37 46 47 37 46 47 19 32 19 32 37 38 37 38 28 29 28 29 34 35 34 35 40 41 40 41 46 47 48 46 47 48 84.6376 -24.9294 -158.5495 -35.7449 -145.3119 81.068 -156.8137 93.6192 -40.0008 84.7136 -15.703 -142.8765 -41.8507 -142.2673 90.5593 -136.3919 123.1915 -3.982 -112.8183 137.0166 -5.1729 19.5034 -90.6617 127.1489 122.5846 12.4195 -129.77 -139.5964 -7.5182 101.7431 -7.3746 124.7036 -126.0351 76.6338 -151.2879 -42.0267 -78.608 27.0597 138.4132 18.7881 124.4558 -124.1906 -18.9435 -116.1129 84.262 -12.9074 132.4808 35.8114 -61.9954 28.5952 -68.0743 -165.881 -23.8766 79.4172 -120.222 -16.9282 115.1565 -141.5497 159.0109 52.8969 -65.4594 -171.5734 38.8494 -67.2646 91.6784 -12.3392 -13.7084 -117.726 -172.0352 83.9472 -62.4229 34.6775 42.2661 139.3665 -159.2123 -62.1119 140.8629 34.1275 36.5751 -70.1603 -5.0034 -113.7213 100.9489 -7.7691 -22.3425 175.3407 74.8237 -129.5259 68.1572 -32.3597 60.5564 160.9904 -48.5519 51.8821 -70.4508 -177.8323 37.8967 -69.4848 -27.7812 81.5971 68.7312 178.1095 122.6705 18.2876 21.5835 -82.7993 -126.0272 -22.4108 -21.1135 82.5029 156.2118 -100.3322 -1.1567 -96.6441 6.812 105.9875 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 611 A 592 A 916 611 2076.4789897988 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 592 RedAO= T EigKep= 8.73D-05 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Berny optimization. local minimum Step number 39 out of a maximum of 279 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00117 0.00157 0.00180 0.00245 0.00262 0.00275 0.00297 0.00353 0.00368 0.00419 0.00437 0.00451 0.00467 0.00539 0.00584 0.00611 0.00658 0.00707 0.00916 0.01005 0.01085 0.01244 0.01454 0.01555 0.01689 0.01773 0.01816 0.02083 0.02237 0.02332 0.02539 0.02648 0.02783 0.02870 0.03017 0.03236 0.03430 0.03573 0.03641 0.03799 0.03964 0.04055 0.04157 0.04355 0.04456 0.04598 0.04666 0.04772 0.04964 0.05102 0.05139 0.05232 0.05365 0.05378 0.05474 0.05538 0.05639 0.05789 0.05829 0.05890 0.05910 0.05987 0.06077 0.06171 0.06190 0.06276 0.06413 0.06434 0.06468 0.06617 0.06682 0.06775 0.06855 0.06930 0.07037 0.07172 0.07334 0.07462 0.07540 0.07668 0.07913 0.08056 0.08228 0.08273 0.08762 0.08921 0.09117 0.09311 0.09705 0.10393 0.10835 0.11118 0.11914 0.12546 0.13416 0.14988 0.15599 0.16305 0.18147 0.20656 0.26024 0.27428 0.27633 0.34868 0.37245 0.40468 0.41242 0.42786 0.43738 0.45011 0.46070 0.47391 0.48148 0.48636 0.48850 0.49090 0.49990 0.50271 0.50542 0.51006 0.51323 0.51569 0.51714 0.51947 0.52288 0.52680 0.53999 0.54373 0.54623 0.54729 0.54755 0.54805 0.54893 0.54951 0.55067 0.57883 0.62256 1.20123 -9.42518570e-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 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 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 2.70772 2.69302 2.72332 2.69449 3.32211 3.34233 1.86200 1.86073 3.39786 1.86260 1.86413 1.83379 3.54413 3.34759 1.83628 1.82465 3.47555 1.85702 3.38091 1.82569 3.53416 3.50949 1.85844 1.85313 3.31273 3.40506 3.46823 1.82350 1.86538 3.41898 3.31773 1.85128 1.85485 3.51109 3.44102 1.83386 1.85088 3.53290 1.85444 1.85297 1.82385 1.85077 1.84922 1.84720 3.43017 1.83424 1.84914 1.84518 1.83347 1.85035 3.34100 1.86674 1.87555 1.87075 1.91627 1.86623 1.97582 1.95442 2.15449 2.16543 1.99058 1.38377 1.79096 1.87468 1.79076 1.55243 1.76043 1.83113 1.61560 1.96144 1.71494 1.83208 2.24204 1.59538 2.12211 1.83623 1.83232 1.56149 1.55772 2.00154 1.93789 2.32013 1.84341 1.77717 1.75059 1.83477 1.92437 1.81382 1.64806 1.76613 1.81123 1.71658 1.99619 1.79949 1.84508 1.66473 1.83456 1.91381 1.70561 1.83498 1.79393 1.84069 1.82206 1.61960 1.59226 1.79946 1.91986 1.77025 1.80584 2.36059 1.45798 2.05904 1.69663 1.85802 1.68127 3.00686 3.23422 2.95970 3.09925 3.08965 3.07847 3.08139 2.98125 3.11280 2.92177 3.12069 2.97563 2.91875 3.04550 2.97796 2.84843 2.89752 3.06642 3.02353 3.28815 3.24298 3.22462 3.10361 3.09635 3.26827 3.13262 3.20814 3.29538 3.13719 3.14262 3.03461 3.11161 3.08677 3.08239 3.21861 3.19888 3.06165 3.21482 1.39747 -0.35192 -2.69451 -0.69840 -2.44779 1.49281 -2.80980 1.72399 -0.61860 1.35613 -0.36368 -2.51637 -0.79242 -2.51223 1.61827 -2.53496 2.02842 -0.12427 -1.87496 2.41252 0.09059 0.31012 -1.68560 2.27567 2.16375 0.16804 -2.15389 -2.45432 -0.10069 1.77510 -0.04522 2.30841 -2.09898 1.38149 -2.54806 -0.67227 -1.29857 0.53122 2.40169 0.46264 2.29243 -2.12029 -0.58670 -2.52759 1.19024 -0.75065 1.64645 0.27501 -1.40180 -0.19052 -1.56196 3.04441 -0.45549 1.36289 -2.05606 -0.23769 1.96949 -2.49532 2.92986 1.08095 -0.96568 -2.81460 0.75931 -1.08961 1.65963 -0.19063 -0.16900 -2.01926 -3.13284 1.30009 -1.18751 0.42610 0.61979 2.23339 -2.63445 -1.02085 2.43311 0.56582 0.62551 -1.24178 -0.00640 -1.90590 1.82960 -0.06990 -0.24097 2.92978 1.21706 -2.12046 1.05029 -0.66243 1.07789 2.82092 -0.87834 0.86470 -1.30620 3.08111 0.71360 -1.18227 -0.58503 1.29979 1.09061 2.97543 2.43972 0.55471 0.67387 -1.21114 -1.98386 -0.18445 -0.21151 1.58790 2.82617 -1.84120 -0.21050 -1.56435 0.05146 1.68216 -0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00002 0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00000 -0.00002 0.00000 0.00002 0.00001 0.00001 -0.00002 -0.00002 0.00002 -0.00000 0.00002 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -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 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00002 -0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 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 -0.00000 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 0.00001 0.00000 -0.00000 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 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00006 0.00011 0.00004 -0.00003 0.00021 0.00021 -0.00002 0.00002 -0.00016 -0.00003 0.00001 -0.00001 -0.00015 -0.00039 0.00001 0.00001 -0.00007 -0.00001 -0.00005 0.00001 -0.00021 -0.00015 -0.00001 0.00000 -0.00009 -0.00004 0.00000 -0.00001 -0.00003 0.00009 0.00009 0.00000 -0.00002 -0.00005 0.00006 0.00000 0.00001 -0.00022 -0.00001 0.00003 0.00000 0.00001 0.00001 0.00001 -0.00020 0.00001 0.00002 0.00001 0.00001 -0.00002 0.00004 0.00001 0.00001 0.00001 0.00006 -0.00008 -0.00002 0.00002 -0.00001 -0.00018 -0.00002 0.00004 -0.00010 0.00032 0.00003 0.00008 0.00013 0.00004 0.00009 0.00020 0.00009 0.00004 -0.00044 0.00008 0.00049 -0.00016 -0.00001 0.00007 -0.00012 -0.00006 0.00001 0.00007 0.00004 0.00011 0.00011 0.00005 0.00033 0.00027 -0.00004 -0.00004 0.00004 0.00008 0.00012 -0.00002 0.00010 -0.00011 0.00006 -0.00002 0.00007 0.00002 0.00022 -0.00007 0.00003 0.00016 0.00007 0.00002 -0.00001 0.00009 0.00002 0.00011 0.00004 -0.00022 0.00006 0.00013 -0.00027 0.00007 0.00012 0.00017 -0.00015 0.00018 -0.00035 -0.00049 0.00001 -0.00022 -0.00008 -0.00013 -0.00006 -0.00007 0.00002 0.00007 0.00026 -0.00005 -0.00012 0.00017 0.00004 0.00002 0.00000 0.00015 0.00014 0.00020 0.00008 -0.00003 0.00025 0.00001 0.00033 -0.00023 -0.00003 0.00007 -0.00018 -0.00004 -0.00017 -0.00002 0.00002 0.00002 0.00012 -0.00017 -0.00002 0.00008 -0.00021 0.00008 0.00018 -0.00011 0.00002 -0.00006 -0.00054 -0.00000 -0.00009 -0.00057 0.00011 0.00002 -0.00045 -0.00020 -0.00015 -0.00023 -0.00038 -0.00032 -0.00040 -0.00003 0.00003 -0.00005 0.00005 0.00017 0.00025 -0.00002 0.00009 0.00017 0.00005 0.00016 0.00024 -0.00018 -0.00012 -0.00013 -0.00004 0.00002 0.00001 0.00020 0.00019 0.00023 0.00022 -0.00008 -0.00016 0.00012 -0.00017 -0.00025 0.00003 0.00004 0.00007 -0.00007 -0.00004 0.00056 0.00059 -0.00018 -0.00023 0.00012 0.00007 0.00026 0.00021 0.00019 -0.00003 0.00017 -0.00005 0.00008 -0.00015 0.00012 0.00027 0.00010 0.00025 0.00006 0.00021 0.00019 0.00012 -0.00002 -0.00009 0.00009 0.00007 0.00017 0.00015 -0.00011 -0.00013 -0.00014 -0.00022 -0.00024 -0.00025 0.00083 0.00072 0.00055 0.00044 -0.00056 -0.00059 -0.00004 -0.00007 0.00007 0.00008 -0.00003 -0.00002 -0.00006 -0.00011 -0.00001 -0.00006 -0.00034 -0.00033 -0.00026 -0.00025 -0.00001 0.00010 -0.00017 0.00001 0.00012 -0.00015 -0.00000 -0.00003 -0.00001 0.00001 -0.00009 -0.00001 0.00002 0.00000 0.00003 0.00002 0.00000 -0.00000 -0.00011 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00006 0.00000 0.00009 0.00010 -0.00000 -0.00001 0.00005 0.00011 0.00015 0.00000 0.00001 -0.00003 -0.00009 0.00000 0.00002 0.00001 -0.00013 0.00000 0.00001 -0.00014 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00006 -0.00002 -0.00002 -0.00003 0.00000 0.00002 0.00008 0.00001 -0.00004 -0.00004 0.00002 0.00002 0.00004 -0.00001 -0.00005 -0.00005 0.00003 0.00006 -0.00002 0.00003 -0.00003 -0.00003 0.00010 -0.00001 -0.00001 -0.00010 0.00004 0.00001 -0.00015 0.00009 0.00007 0.00001 0.00000 -0.00001 -0.00000 -0.00006 0.00001 0.00005 -0.00004 -0.00000 -0.00011 -0.00001 0.00007 -0.00010 0.00001 -0.00011 -0.00005 -0.00004 0.00006 0.00002 0.00003 -0.00003 -0.00000 -0.00018 -0.00005 -0.00001 -0.00002 -0.00010 -0.00002 -0.00000 0.00008 -0.00000 0.00002 0.00008 -0.00002 0.00003 -0.00009 -0.00006 0.00002 0.00005 -0.00011 0.00004 0.00010 -0.00010 0.00006 0.00014 0.00007 0.00025 -0.00014 0.00004 0.00009 0.00006 -0.00007 0.00018 0.00005 0.00008 -0.00008 0.00009 -0.00008 0.00015 0.00000 0.00003 0.00009 0.00001 -0.00021 -0.00014 -0.00015 -0.00008 -0.00009 0.00007 -0.00013 -0.00011 -0.00009 0.00011 0.00004 0.00017 -0.00000 0.00011 -0.00006 0.00008 0.00007 0.00004 0.00008 0.00007 0.00004 0.00004 0.00002 -0.00001 0.00009 0.00001 -0.00011 0.00012 0.00004 -0.00008 0.00012 0.00005 -0.00007 -0.00008 -0.00001 -0.00006 -0.00008 -0.00001 -0.00007 -0.00004 0.00003 -0.00002 -0.00002 -0.00000 0.00003 -0.00005 -0.00003 -0.00000 0.00004 0.00006 0.00009 -0.00019 -0.00017 -0.00010 -0.00009 -0.00008 -0.00000 0.00003 0.00020 -0.00001 0.00017 0.00027 0.00033 0.00042 0.00028 0.00034 0.00043 0.00001 -0.00004 -0.00010 -0.00016 0.00003 -0.00002 0.00005 0.00005 0.00001 0.00001 0.00013 0.00013 -0.00006 -0.00002 -0.00007 -0.00003 -0.00005 -0.00001 0.00003 0.00003 0.00002 0.00002 0.00010 0.00010 -0.00009 -0.00009 0.00002 0.00002 0.00021 0.00019 0.00016 0.00014 -0.00012 -0.00020 -0.00022 -0.00006 -0.00015 -0.00016 -0.00010 -0.00010 -0.00010 -0.00010 -0.00005 -0.00000 -0.00005 -0.00001 -0.00003 -0.00002 -0.00004 -0.00002 -0.00017 -0.00007 -0.00005 0.00005 0.00007 0.00007 0.00008 0.00007 0.00021 0.00013 -0.00003 0.00011 0.00003 -0.00014 -0.00006 0.00008 0.00003 -0.00002 0.00012 0.00020 0.00000 0.00002 -0.00013 -0.00000 0.00002 -0.00002 -0.00025 -0.00038 -0.00000 -0.00000 -0.00007 -0.00001 0.00001 0.00001 -0.00013 -0.00006 -0.00001 -0.00001 -0.00004 0.00007 0.00016 -0.00000 -0.00001 0.00006 -0.00000 0.00000 0.00000 -0.00004 -0.00007 0.00001 0.00002 -0.00035 -0.00002 0.00001 -0.00000 0.00002 0.00001 0.00000 -0.00014 -0.00001 0.00000 -0.00002 0.00001 0.00000 0.00012 0.00002 -0.00003 -0.00003 0.00007 -0.00006 0.00003 0.00001 -0.00005 -0.00023 0.00000 0.00010 -0.00012 0.00034 0.00000 0.00006 0.00023 0.00003 0.00007 0.00010 0.00013 0.00005 -0.00059 0.00018 0.00056 -0.00016 -0.00001 0.00006 -0.00012 -0.00012 0.00002 0.00011 -0.00000 0.00010 -0.00000 0.00005 0.00040 0.00017 -0.00004 -0.00015 -0.00001 0.00004 0.00017 -0.00000 0.00013 -0.00014 0.00006 -0.00019 0.00002 0.00001 0.00020 -0.00017 0.00001 0.00016 0.00016 0.00001 0.00000 0.00017 -0.00000 0.00014 -0.00005 -0.00029 0.00007 0.00018 -0.00038 0.00011 0.00022 0.00007 -0.00009 0.00032 -0.00028 -0.00024 -0.00013 -0.00017 0.00001 -0.00007 -0.00012 0.00012 0.00007 0.00015 0.00018 0.00005 -0.00020 0.00032 0.00005 0.00005 0.00009 0.00016 -0.00008 0.00006 -0.00006 -0.00011 0.00015 0.00008 0.00020 -0.00035 -0.00012 0.00018 -0.00014 0.00013 -0.00018 0.00009 -0.00004 0.00010 0.00019 -0.00013 0.00007 0.00015 -0.00017 0.00012 0.00020 -0.00012 0.00011 -0.00005 -0.00065 0.00012 -0.00005 -0.00065 0.00023 0.00007 -0.00053 -0.00028 -0.00016 -0.00029 -0.00046 -0.00034 -0.00047 -0.00006 0.00006 -0.00007 0.00003 0.00017 0.00028 -0.00007 0.00007 0.00017 0.00008 0.00023 0.00033 -0.00036 -0.00029 -0.00023 -0.00013 -0.00005 0.00000 0.00022 0.00039 0.00022 0.00039 0.00019 0.00017 0.00054 0.00012 0.00009 0.00046 0.00006 0.00003 -0.00017 -0.00020 0.00059 0.00057 -0.00013 -0.00019 0.00013 0.00008 0.00039 0.00034 0.00013 -0.00005 0.00011 -0.00007 0.00002 -0.00016 0.00015 0.00030 0.00012 0.00027 0.00016 0.00031 0.00010 0.00003 0.00000 -0.00007 0.00030 0.00026 0.00033 0.00029 -0.00023 -0.00033 -0.00036 -0.00028 -0.00038 -0.00041 0.00073 0.00061 0.00046 0.00034 -0.00061 -0.00060 -0.00009 -0.00008 0.00004 0.00006 -0.00007 -0.00004 -0.00023 -0.00019 -0.00006 -0.00002 -0.00027 -0.00026 -0.00018 -0.00017 0.00020 0.00023 -0.00020 0.00011 0.00014 -0.00029 2.70766 2.69310 2.72335 2.69447 3.32222 3.34253 1.86200 1.86075 3.39774 1.86259 1.86415 1.83378 3.54388 3.34721 1.83628 1.82465 3.47548 1.85701 3.38092 1.82569 3.53403 3.50943 1.85844 1.85312 3.31269 3.40514 3.46839 1.82350 1.86536 3.41904 3.31773 1.85128 1.85485 3.51105 3.44095 1.83387 1.85090 3.53254 1.85442 1.85298 1.82385 1.85080 1.84923 1.84720 3.43003 1.83423 1.84914 1.84516 1.83347 1.85035 3.34113 1.86676 1.87552 1.87072 1.91634 1.86617 1.97585 1.95443 2.15443 2.16520 1.99058 1.38387 1.79084 1.87503 1.79077 1.55249 1.76067 1.83116 1.61567 1.96153 1.71507 1.83213 2.24146 1.59556 2.12268 1.83608 1.83232 1.56155 1.55760 2.00142 1.93792 2.32025 1.84340 1.77727 1.75059 1.83482 1.92476 1.81398 1.64802 1.76597 1.81122 1.71662 1.99636 1.79949 1.84522 1.66459 1.83462 1.91361 1.70563 1.83499 1.79412 1.84053 1.82207 1.61976 1.59242 1.79947 1.91986 1.77042 1.80584 2.36073 1.45793 2.05876 1.69670 1.85820 1.68089 3.00697 3.23444 2.95977 3.09916 3.08997 3.07819 3.08115 2.98112 3.11263 2.92178 3.12063 2.97551 2.91887 3.04556 2.97810 2.84861 2.89756 3.06622 3.02385 3.28820 3.24303 3.22471 3.10378 3.09627 3.26833 3.13255 3.20803 3.29554 3.13727 3.14282 3.03426 3.11149 3.08695 3.08225 3.21874 3.19871 3.06175 3.21478 1.39757 -0.35174 -2.69464 -0.69833 -2.44764 1.49264 -2.80969 1.72418 -0.61872 1.35624 -0.36374 -2.51702 -0.79230 -2.51227 1.61763 -2.53472 2.02849 -0.12480 -1.87524 2.41236 0.09031 0.30965 -1.68593 2.27520 2.16368 0.16810 -2.15395 -2.45429 -0.10052 1.77538 -0.04530 2.30848 -2.09881 1.38157 -2.54784 -0.67194 -1.29893 0.53093 2.40146 0.46251 2.29238 -2.12028 -0.58648 -2.52720 1.19046 -0.75026 1.64664 0.27518 -1.40127 -0.19041 -1.56187 3.04487 -0.45543 1.36292 -2.05624 -0.23788 1.97008 -2.49476 2.92973 1.08076 -0.96556 -2.81453 0.75970 -1.08927 1.65976 -0.19068 -0.16889 -2.01934 -3.13281 1.29993 -1.18736 0.42640 0.61991 2.23366 -2.63429 -1.02053 2.43321 0.56585 0.62551 -1.24185 -0.00610 -1.90564 1.82993 -0.06961 -0.24120 2.92945 1.21670 -2.12074 1.04990 -0.66284 1.07861 2.82153 -0.87788 0.86504 -1.30681 3.08051 0.71351 -1.18235 -0.58500 1.29986 1.09054 2.97539 2.43950 0.55452 0.67382 -1.21116 -1.98413 -0.18471 -0.21169 1.58773 2.82637 -1.84097 -0.21071 -1.56424 0.05160 1.68186 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000024 0.000006 0.001601 0.000368 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.679540e-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 1 1 1 1 5 5 5 6 6 7 8 8 8 9 10 10 10 14 14 16 16 16 18 18 18 19 20 21 21 21 23 24 24 25 26 27 27 29 30 30 33 33 36 36 37 39 39 42 42 45 45 45 2 3 4 5 7 15 47 14 24 16 9 12 35 14 11 13 46 15 32 17 38 41 19 20 48 30 42 22 23 31 36 25 26 33 27 28 29 39 31 32 34 35 37 38 45 40 41 43 44 46 47 48 1.4329 1.4251 1.4411 1.4259 1.758 1.7687 0.9853 0.9847 1.7981 0.9856 0.9865 0.9704 1.8755 1.7715 0.9717 0.9656 1.8392 0.9827 1.7891 0.9661 1.8702 1.8571 0.9834 0.9806 1.753 1.8019 1.8353 0.965 0.9871 1.8092 1.7557 0.9797 0.9815 1.858 1.8209 0.9704 0.9794 1.8695 0.9813 0.9805 0.9651 0.9794 0.9786 0.9775 1.8152 0.9706 0.9785 0.9764 0.9702 0.9792 1.768 0.9878 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 2 2 2 3 3 4 1 1 1 7 7 15 9 9 12 11 11 13 6 6 6 9 9 15 7 7 7 17 17 38 19 19 20 22 22 23 6 6 25 26 26 28 19 19 31 25 25 34 23 23 37 29 29 40 20 20 43 37 37 37 46 46 47 1 1 1 1 1 1 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 16 16 16 16 16 16 18 18 18 21 21 21 24 24 24 27 27 27 30 30 30 33 33 33 36 36 36 39 39 39 42 42 42 45 45 45 45 45 45 3 4 5 4 5 5 7 15 47 15 47 47 12 35 35 13 46 46 9 15 32 15 32 32 17 38 41 38 41 41 20 48 48 23 31 31 25 26 26 28 29 29 31 32 32 34 35 35 37 38 38 40 41 41 43 44 44 46 47 48 47 48 48 107.461 107.1859 109.794 106.9271 113.2063 111.98 123.4429 124.0699 114.0518 79.2842 102.6142 107.4115 102.6031 88.9478 100.8654 104.9161 92.5669 112.3821 98.259 104.9703 128.4597 91.4087 121.5882 105.2083 104.9844 89.4667 89.251 114.6796 111.033 132.9339 105.6194 101.8243 100.3014 105.1245 110.2582 103.924 94.4268 101.1916 103.7757 98.353 114.3732 103.1031 105.7156 95.3821 105.1128 109.653 97.7244 105.1365 102.7844 105.464 104.3965 92.7965 91.23 103.1015 109.9997 101.428 103.4671 135.2518 83.5362 117.9745 97.2098 106.4568 96.3296 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 14 5 8 5 18 18 21 24 24 27 21 14 8 36 16 16 10 5 18 14 5 8 5 18 18 21 24 24 27 21 14 8 36 16 16 10 5 6 7 9 15 19 20 23 25 26 29 31 32 35 37 38 41 46 47 48 6 7 9 15 19 20 23 25 26 29 31 32 35 37 38 41 46 47 24 16 14 14 30 42 36 33 27 39 30 30 33 45 36 39 45 45 45 24 16 14 14 30 42 36 33 27 39 30 30 33 45 36 39 45 45 2 6 1 12 1 3 6 1 5 1 1 10 6 6 10 1 1 20 2 2 6 1 12 1 3 6 1 5 1 1 10 6 6 10 1 1 20 -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 -2 172.2802 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 185.3073 169.5784 177.5737 177.0238 176.3832 176.5506 170.8131 178.3503 167.4051 178.8026 170.491 167.2321 174.494 170.6243 163.203 166.0156 175.693 173.2355 188.3974 185.8092 184.7573 177.824 177.4079 187.2579 179.4857 183.8129 188.8116 179.7479 180.0587 173.8702 178.2823 176.8589 176.6077 184.413 183.2825 175.4197 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 2 2 2 3 3 3 4 4 4 1 1 1 7 7 7 47 47 47 1 1 1 15 15 15 47 47 47 1 1 1 7 7 7 15 15 15 12 12 12 35 35 35 9 9 12 12 11 11 11 13 13 13 9 9 15 15 32 32 6 6 9 9 15 15 7 7 17 17 41 41 7 7 17 17 38 38 20 20 48 48 19 19 48 48 19 19 19 20 20 20 22 22 23 23 22 22 31 31 6 6 25 25 6 6 26 26 26 26 28 28 23 23 23 38 38 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 21 21 21 21 21 21 21 21 24 24 24 24 24 24 24 24 27 27 27 27 36 36 36 36 36 5 5 5 5 5 5 5 5 5 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 45 45 45 45 45 45 45 45 45 14 14 14 14 14 14 33 33 33 33 45 45 45 45 45 45 24 24 24 24 24 24 30 30 30 30 30 30 36 36 36 36 36 36 39 39 39 39 39 39 30 30 30 30 42 42 42 42 45 45 45 45 45 45 30 30 30 30 36 36 36 36 27 27 27 27 33 33 33 33 39 39 39 39 45 45 45 45 45 7 15 47 7 15 47 7 15 47 6 9 32 6 9 32 6 9 32 17 38 41 17 38 41 17 38 41 37 46 48 37 46 48 37 46 48 6 15 32 6 15 32 25 34 25 34 37 47 48 37 47 48 25 26 25 26 25 26 19 31 19 31 19 31 23 37 23 37 23 37 29 40 29 40 29 40 31 32 31 32 43 44 43 44 37 46 47 37 46 47 19 32 19 32 37 38 37 38 28 29 28 29 34 35 34 35 40 41 40 41 46 47 48 46 47 80.0692 -20.1638 -154.3839 -40.0151 -140.2481 85.5317 -160.9899 98.7771 -35.443 77.7003 -20.8376 -144.1774 -45.4021 -143.94 92.7202 -145.2423 116.2198 -7.12 -107.4271 138.227 5.1907 17.7683 -96.5776 130.3861 123.9736 9.6277 -123.4086 -140.6225 -5.7691 101.7058 -2.5911 132.2623 -120.2628 79.1533 -145.9933 -38.5185 -74.4025 30.4369 137.6068 26.5073 131.3466 -121.4835 -33.6155 -144.8203 68.1957 -43.0092 94.3344 15.7571 -80.3173 -10.9162 -89.4935 174.4321 -26.0975 78.0878 -117.8037 -13.6184 112.8432 -142.9715 167.8687 61.9336 -55.3297 -161.2647 43.5051 -62.4299 95.0899 -10.9224 -9.6829 -115.6952 -179.4983 74.4894 -68.0392 24.4136 35.5112 127.964 -150.943 -58.4903 139.4067 32.4188 35.8389 -71.1489 -0.3668 -109.1998 104.8281 -4.0049 -13.8064 167.8641 69.7325 -121.4935 60.177 -37.9546 61.7583 161.6269 -50.3252 49.5434 -74.84 176.5345 40.8865 -67.7391 -33.5198 74.4726 62.4871 170.4796 139.7859 31.7823 38.6101 -69.3935 -113.6668 -10.5684 -12.1185 90.98 161.9276 -105.4931 -12.061 -89.6309 2.9484 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0573376357 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3711,1.4368,-.4219;1.8441,.7631,-1.5744;2.4735,1.7629,.3879;.7924,2.6636,-.8572;.4209,.5959,.2486;-.4255,-2.2123,-.8126;.8849,-.6708,1.4046;-.4688,-.6461,-3.3832;-.7568,-.9573,-2.493;-.108,4.2066,1.7032;.1238,4.052,.7805;.3494,-.171,-3.1982;.7014,3.9888,2.1774;-1.0547,-1.453,-.8649;-.5801,-.7018,-.4526;1.0823,-1.3352,2.1009;.8673,-2.1808,1.6917;-3.3064,1.4426,.0843;-3.4456,.4697,.149;-2.7918,1.57,-.736;-3.2811,-1.8235,2.9448;-4.0205,-1.363,3.3531;-2.4866,-1.3053,3.216;.7807,-3.4531,-.9848;.7144,-3.5098,-1.958;1.6022,-2.9326,-.8549;3.063,-1.9006,-.9338;2.678,-1.0902,-1.2865;3.3759,-1.642,-.0437;-3.5574,-1.2634,.2721;-3.4557,-1.4693,1.226;-2.6806,-1.4451,-.1189;.7318,-3.1992,-3.7935;1.6714,-3.0035,-3.8689;.3088,-2.321,-3.7572;-1.1207,-.3694,3.6531;-1.2541,.4393,3.1217;-.3629,-.7996,3.2198;3.7994,-1.0193,1.6073;3.816,-.0798,1.3956;2.8855,-1.1669,1.9215;-1.7867,1.974,-2.226;-1.5049,1.1545,-2.6529;-.9817,2.304,-1.8092;-1.3745,1.7331,1.8814;-1.05,2.655,1.9012;-.2044,1.0686,.8516;-2.1378,1.6988,1.2473; 0.000000 1.416279 0.000000 1.406234 2.290554 0.000000 1.424584 2.287451 2.277661 0.000000 1.435179 2.318856 2.365340 2.374066 0.000000 4.086159 3.819032 5.064435 5.025914 3.119062 0.000000 2.831021 3.442523 3.079063 4.030203 1.776566 3.001552 0.000000 4.061168 3.256883 5.355584 4.350356 3.940049 3.010430 4.975527 0.000000 3.814332 3.250924 5.112182 4.264587 3.363854 2.123306 4.238888 0.986035 0.000000 3.791523 5.139166 3.790202 3.122010 3.928444 6.901615 4.986397 7.039185 6.685379 0.000000 3.137029 4.395669 3.303813 2.248685 3.509413 6.487027 4.824320 6.305534 6.048479 0.963862 0.000000 3.367049 2.396577 4.594861 3.702967 3.531857 3.233983 4.660750 0.964065 1.529509 6.587625 5.806483 0.000000 3.703699 5.078052 3.361066 3.312532 3.912866 6.975917 4.726803 7.332908 6.957163 0.963066 1.512949 6.806260 0.000000 3.798884 3.717209 4.935558 4.511969 2.759497 0.987475 3.086085 2.708551 1.727767 6.286626 5.865228 3.009913 6.477007 0.000000 2.895153 3.046556 4.013238 3.656963 1.782581 1.560492 2.365621 2.933255 2.063908 5.381682 4.961326 2.946941 5.528150 0.979512 0.000000 3.759261 4.300185 3.803723 4.982426 2.756363 3.395802 0.982443 5.740737 4.962744 5.682077 5.628861 5.474804 5.338087 3.657334 3.112058 0.000000 4.219956 4.504254 4.453389 5.474507 3.160952 2.818484 1.537095 5.467595 4.652517 6.461398 6.342773 5.312123 6.190846 3.280152 2.979945 0.963706 0.000000 4.704819 5.453490 5.796734 4.379155 3.825727 4.739371 4.876091 4.943425 4.347592 4.526625 4.365789 5.171392 5.189106 3.788820 3.509851 5.571603 5.756016 0.000000 4.945888 5.571102 6.063432 4.877051 3.869778 4.151940 4.650827 4.752096 4.030591 5.245851 5.096272 5.100634 5.804790 3.231274 3.153616 5.250610 5.292047 0.984864 0.000000 4.176922 4.779763 5.387436 3.749288 3.498545 4.462197 4.808508 4.161149 3.689906 4.483761 4.118372 4.354453 5.151804 3.488963 3.183280 5.612205 5.775051 0.976650 1.556030 0.000000 6.603582 7.306290 7.246745 7.154152 5.179501 4.735369 4.588681 7.024161 6.057379 6.926131 7.127324 7.324513 7.087385 4.428082 4.482826 4.470919 4.348201 4.341707 3.619748 5.030278 0.000000 7.152587 7.949528 7.793352 7.556704 5.762032 5.567607 5.323412 7.648910 6.707653 7.003585 7.288085 7.964739 7.233288 5.157072 5.172686 5.254236 5.226820 4.366504 3.735731 5.180053 0.962016 0.000000 5.969566 6.781004 6.481883 6.564650 4.568741 4.615267 3.879512 6.932225 5.975450 6.190873 6.437910 7.104404 6.266498 4.327348 4.178229 3.739106 3.786626 4.246266 3.671130 4.896864 0.986543 1.541142 0.000000 4.957505 4.388103 5.653073 6.118081 4.247971 1.739078 3.668920 3.897858 3.296682 8.166162 7.737891 3.982197 8.086236 2.717298 3.115271 3.754731 2.964733 6.466460 5.876729 6.169053 5.881819 6.799819 5.738930 0.000000 5.221110 4.436404 6.033245 6.271294 4.670334 2.072385 4.404064 3.410575 2.994344 8.580411 8.064083 3.580376 8.563307 2.924891 3.439019 4.619423 3.887122 6.697997 6.130352 6.292171 6.545601 7.432044 6.471207 0.977133 0.000000 4.396914 3.772946 4.934799 5.654532 3.881182 2.152269 3.276473 3.988705 3.485738 7.774109 7.324297 3.832429 7.609963 3.041095 3.146546 3.399810 2.755013 6.642144 6.169561 6.292480 6.286002 7.196180 5.994850 0.981090 1.529137 0.000000 3.776619 2.998608 3.939056 5.098407 3.822500 3.504529 3.424129 4.477389 4.232250 7.369329 6.856500 3.934813 7.066921 4.142495 3.865349 3.667785 3.434067 7.265137 7.010884 6.809075 7.436193 8.297151 6.955103 2.760724 3.025651 1.790341 0.000000 2.973430 2.052603 3.314537 4.222692 3.208448 3.333989 3.260846 3.807317 3.642956 6.690018 6.102380 3.149906 6.457672 3.773860 3.385475 3.752473 3.652059 6.641278 6.480128 6.107278 7.345216 8.152927 6.855066 3.045309 3.187652 2.176739 0.964040 0.000000 3.693431 3.236402 3.548863 5.086736 3.718348 3.920156 3.040748 5.189029 4.852567 7.028210 6.608916 4.612452 6.617552 4.510010 4.086733 3.155093 3.097611 7.360996 7.143498 6.988405 7.299316 8.143936 6.716284 3.301622 3.773202 2.338773 0.978293 1.528445 0.000000 5.662475 6.057503 6.748688 5.968051 4.391408 3.447547 4.622534 4.825088 3.947470 6.623275 6.485680 5.338527 7.025219 2.755418 3.115283 4.987626 4.736537 2.724104 1.741136 3.103363 2.744762 3.117209 3.132966 5.019363 5.316717 5.538730 6.759446 6.429577 6.950862 0.000000 5.870264 6.396485 6.804866 6.282293 4.499841 3.726960 4.417077 5.553745 4.623543 6.606881 6.595209 5.978200 6.926603 3.183898 3.417027 4.623524 4.405869 3.131271 2.218094 3.678016 1.763620 2.203341 2.219571 5.174060 5.629504 5.661612 6.880768 6.639216 6.950829 0.981176 0.000000 4.981358 5.241013 6.092096 5.430313 3.730941 2.480958 3.953883 4.023188 3.094375 6.471480 6.236357 4.504086 6.799865 1.788914 2.252994 4.370212 4.050537 2.961682 2.079326 3.079656 3.144865 3.722460 3.343506 4.094232 4.378474 4.593092 5.818982 5.495795 6.060207 0.977070 1.552478 0.000000 5.767899 4.675624 6.718678 6.557281 5.553179 3.346494 5.782391 2.850966 2.988893 9.260900 8.594815 3.109709 9.344460 3.849368 4.372613 6.192051 5.580560 7.272524 6.815757 6.671542 7.962472 8.776657 7.942200 2.820633 1.861708 3.076413 3.911341 3.810548 4.845312 6.218791 6.761915 5.312623 0.000000 5.629261 4.413872 6.440762 6.477639 5.610140 3.790020 5.819789 3.220873 3.460746 9.284428 8.590277 3.196973 9.294670 4.342827 4.694540 6.226512 5.678357 7.757178 7.375008 7.117101 8.505704 9.340599 8.388664 3.051862 2.196358 3.015705 3.430417 3.367892 4.403544 6.893221 7.389181 5.952434 0.962733 0.000000 5.135575 4.078461 6.208629 5.787130 4.956569 3.036728 5.449687 1.884170 2.143317 8.520553 7.825659 2.221879 8.671063 3.313361 3.785862 5.990634 5.479214 6.480078 6.094458 5.820845 7.619212 8.379577 7.581050 3.031628 2.194271 3.235806 3.966575 3.637594 4.863961 5.683444 6.303171 4.789710 0.975350 1.528034 0.000000 5.106572 6.115527 5.303442 5.762029 3.859870 4.880786 3.028047 7.071801 6.184802 5.076092 5.417478 7.010072 4.948837 4.646522 4.154401 2.862721 3.328748 4.560293 4.288049 5.081100 2.698695 3.079945 1.712435 5.885124 6.686850 5.857124 6.394362 6.272909 5.958693 4.262381 3.542991 4.221147 8.178700 8.444836 7.795181 0.000000 4.521567 5.635445 4.808450 4.996733 3.329436 4.816332 2.959150 6.641469 5.807144 4.185449 4.520141 6.548761 4.161059 4.417427 3.812128 3.106409 3.662048 3.800576 3.693310 4.304087 3.043014 3.309808 2.138102 6.012942 6.728637 5.944919 6.368728 6.101966 5.982467 4.040448 3.476187 4.010953 8.062473 8.323564 7.575134 0.976765 0.000000 4.612025 5.504376 4.757268 5.472701 3.374901 4.273217 2.206507 6.605664 5.728550 5.237085 5.452117 6.488019 5.014765 4.194068 3.680135 1.904537 2.399220 4.850079 4.532580 5.211875 3.104775 3.703171 2.183062 5.101738 5.942693 5.001434 5.495612 5.444135 5.033817 4.371449 3.740285 4.115298 7.492884 7.697158 7.172530 0.973214 1.529365 0.000000 4.005784 4.138041 3.314420 5.355287 3.983586 5.012890 2.942214 6.577357 6.129837 6.525804 6.317534 5.976203 5.916283 5.464534 4.850102 2.779576 3.154872 7.672779 7.538743 7.459169 7.250368 8.019738 6.494812 4.664172 5.332104 3.814550 2.788602 3.104310 1.814668 7.480945 7.279040 6.719444 6.582604 6.201168 6.531183 5.367939 5.473466 4.469081 0.000000 3.403053 3.663324 2.492632 4.662981 3.646787 5.235899 2.990133 6.443396 6.066452 5.819381 5.575154 5.755788 5.183107 5.542451 4.809202 3.089803 3.632743 7.400357 7.388260 7.136456 7.470528 8.178597 6.673698 5.124309 5.712446 4.254935 3.051021 3.083816 2.169327 7.551872 7.405268 6.809096 6.794846 6.392409 6.623826 5.436116 5.381019 4.616174 0.963203 0.000000 3.816298 4.126853 3.332500 5.174445 3.461262 4.419381 2.125016 6.297779 5.726925 6.154932 6.013826 5.799569 5.605054 4.834272 4.226429 1.819931 2.270206 6.965904 6.775143 6.839953 6.285266 7.055556 5.527570 4.254743 5.025246 3.531651 2.953379 3.215604 2.080444 6.651381 6.386424 5.934798 6.436562 6.194811 6.341803 4.436709 4.599704 3.517470 0.977570 1.524565 0.000000 3.676271 3.882445 5.002641 3.000123 3.591094 4.623346 5.226211 3.152892 3.118361 4.820884 4.123956 3.179495 5.444239 3.759333 3.429381 6.156573 6.297108 2.815877 3.264236 1.842165 6.587203 6.873978 6.392119 6.130732 6.033172 6.118762 6.340472 5.495922 6.670104 4.456095 5.153479 4.114517 5.963337 6.279594 5.018282 6.363792 5.589003 6.275111 7.406576 6.980243 6.992550 0.000000 3.650887 3.540147 5.044338 3.283279 3.526990 3.985868 5.050390 2.202041 2.246070 5.499326 4.778792 2.343718 6.019404 3.193556 3.023690 5.957438 5.968835 3.289422 3.476435 2.345910 6.584656 6.981254 6.438854 5.407156 5.211918 5.439843 5.758056 4.939916 6.200923 4.314462 5.073065 3.815943 5.025767 5.371880 4.072917 6.498854 5.824186 6.293820 7.142159 6.799011 6.752034 0.966034 0.000000 2.865716 3.227155 4.130211 2.045235 3.019826 4.658266 4.760473 3.382823 3.339756 4.089036 3.314247 3.134786 4.643743 3.874526 3.322130 5.726474 5.982308 3.119541 3.642779 2.228709 6.702542 7.023584 6.367481 6.077034 6.057982 5.916874 5.899534 5.018671 6.138140 4.867525 5.437960 4.449651 6.095756 6.281012 5.181810 6.082970 5.278781 5.941938 6.750921 6.242669 6.396890 0.964686 1.518891 0.000000 3.596027 4.821086 4.127791 3.613974 2.680008 4.870722 3.333302 5.847738 5.172439 2.784618 2.972278 5.692077 3.079836 4.218384 3.465092 3.936757 4.514398 2.654419 2.980989 2.980919 4.173097 4.330469 3.499945 6.305260 6.825812 6.173831 6.389079 5.867632 6.137093 4.041517 3.875072 3.975885 7.808166 8.048516 7.145823 2.761068 1.796327 3.037989 5.866799 5.519401 5.153559 4.134983 4.572894 3.755066 0.000000 3.569684 4.902551 3.937112 3.317047 3.022333 5.607641 3.879654 6.257779 5.695902 1.825867 2.141323 5.995749 2.218681 4.952448 4.126660 4.528594 5.206237 3.140474 3.685724 3.341561 5.111153 5.203542 4.413256 6.999278 7.484084 6.771387 6.760752 6.171395 6.468082 4.929071 4.822225 4.852930 8.359182 8.527568 7.656706 3.495858 2.537871 3.761057 6.091213 5.604687 5.485955 4.247352 4.816479 3.727584 0.977631 0.000000 2.059045 3.189878 2.805050 2.541149 0.988938 3.685493 2.125539 4.576411 3.949115 3.252913 3.002258 4.271367 3.332501 3.166627 2.230775 2.999066 3.523159 3.217294 3.370102 3.076814 4.712920 5.170402 4.053928 4.978828 5.449751 4.710147 4.762324 4.188090 4.579055 4.125184 4.141567 3.659553 6.377091 6.510311 5.744057 3.279575 2.579060 3.020581 4.578228 4.216417 3.960995 3.576991 3.739052 3.034845 1.694437 2.081691 0.000000 3.894620 4.969317 4.691217 3.734426 2.959907 4.740523 3.844091 5.452177 4.790840 3.258345 3.297036 5.426427 3.764336 3.945714 3.328577 4.505886 4.927451 1.668490 2.104095 2.092351 4.073707 4.165761 3.608633 6.327980 6.748293 6.313289 6.690473 6.114870 6.574960 3.426586 3.431406 3.470694 7.591812 7.924582 6.869595 3.331584 2.425017 3.644662 6.539732 6.215610 5.822459 3.501856 3.988599 3.323468 0.992881 1.589110 2.071745 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3567,1.9605,-.5982;1.6891,1.6807,-.9885;.3679,3.0744,.26;-.3561,2.3414,-1.7713;-.2,.7909,.0196;1.3634,-1.8908,.3242;.0249,.3944,1.7367;2.1022,-1.1722,-2.5043;1.5442,-1.4763,-1.7504;-3.2483,3.1018,-.8748;-2.4672,3.0397,-1.436;2.2448,-.2382,-2.3123;-2.9336,3.5878,-.1052;.6254,-1.8193,-.328;.2799,-.909,-.2209;.0601,.1656,2.6915;.6097,-.6252,2.7271;-2.7981,-1.2925,-1.8634;-2.4258,-2.0559,-1.3648;-2.0512,-.9454,-2.3884;-2.8571,-3.1621,2.0547;-3.7899,-3.3158,1.8767;-2.8034,-2.204,2.2838;2.8345,-1.9146,1.2514;3.4152,-2.1274,.4949;2.9894,-.9542,1.3783;3.3992,.7872,1.3069;2.9663,1.0284,.48;2.916,1.304,1.9826;-1.6847,-3.3183,-.4222;-2.0982,-3.2645,.466;-.821,-2.8719,-.3245;4.3841,-2.1387,-1.0948;4.9014,-1.3456,-.9207;3.6569,-1.827,-1.6652;-2.7163,-.5296,2.6318;-2.8866,-.134,1.7552;-1.7724,-.3451,2.7813;1.8513,2.2501,3.107;1.511,2.8843,2.4669;1.1798,1.5396,3.1044;-.7396,-.1455,-3.405;.1095,-.5678,-3.2204;-.6721,.7087,-2.9619;-2.865,.5143,.08;-3.1501,1.3851,-.2607;-1.1882,.7521,.0284;-2.926,-.134,-.6695; 0.2136219 0.1823459 0.1670141 -24.63857 -24.63759 -24.63156 -19.13486 -19.12838 -19.12671 -19.12395 -19.12273 -19.12151 -19.11853 -19.11764 -19.11428 -19.11353 -19.11299 -19.11081 -19.10839 -19.10536 -19.09968 -6.84124 -1.19309 -1.14891 -1.14539 -1.02814 -1.02611 -1.02337 -1.01960 -1.01704 -1.01374 -1.01118 -1.00890 -1.00635 -1.00403 -0.99924 -0.99374 -0.99135 -0.98335 -0.97895 -0.56877 -0.53812 -0.53589 -0.53461 -0.53300 -0.53236 -0.53074 -0.52923 -0.52679 -0.52631 -0.52406 -0.52278 -0.52208 -0.52076 -0.51793 -0.51505 -0.49476 -0.48986 -0.44065 -0.43075 -0.42462 -0.42253 -0.41721 -0.41513 -0.41084 -0.41039 -0.40799 -0.40537 -0.40204 -0.40058 -0.39531 -0.39288 -0.38957 -0.38404 -0.37722 -0.37546 -0.37228 -0.36302 -0.34613 -0.33010 -0.32753 -0.32492 -0.32332 -0.32060 -0.32013 -0.31950 -0.31868 -0.31763 -0.31572 -0.31527 -0.31220 -0.30968 -0.30728 -0.30686 -0.00771 0.01336 0.02010 0.02341 0.04586 0.05438 0.05943 0.06663 0.07312 0.08414 0.08926 0.10310 0.10425 0.10695 0.11109 0.11321 0.11411 0.12621 0.13221 0.13849 0.13921 0.13933 0.14648 0.14911 0.15103 0.15416 0.15522 0.16364 0.16498 0.16842 0.17317 0.17545 0.17731 0.18360 0.18949 0.19401 0.19710 0.19781 0.20035 0.20201 0.20950 0.21007 0.21440 0.21614 0.22396 0.22712 0.22843 0.23178 0.23794 0.23935 0.24322 0.24387 0.24714 0.25423 0.25577 0.25968 0.26143 0.26300 0.26598 0.26974 0.27213 0.27556 0.27777 0.28455 0.28583 0.28727 0.29053 0.29112 0.29648 0.30077 0.30211 0.30263 0.30691 0.31189 0.31418 0.31838 0.31961 0.32632 0.33718 0.34590 0.34940 0.35258 0.36054 0.36472 0.36824 0.37853 0.38987 0.40532 0.40935 0.41879 0.43208 0.44021 0.44496 0.45162 0.46754 0.47372 0.47658 0.48733 0.48763 0.49931 0.50079 0.50503 0.51327 0.52147 0.52421 0.53016 0.54127 0.54465 0.54661 0.54946 0.55921 0.56883 0.57214 0.57941 0.58263 0.58621 0.59387 0.60096 0.60313 0.60851 0.61008 0.61419 0.62642 0.63192 0.63473 0.64578 0.65023 0.65613 0.66529 0.67036 0.67992 0.68194 0.69177 0.69542 0.69873 0.70582 0.71820 0.71957 0.73276 0.75784 0.78658 0.82340 0.94931 0.95398 0.95472 0.96453 0.96827 0.97530 0.97610 0.98646 0.99397 0.99821 1.00020 1.00277 1.00458 1.01108 1.01720 1.02489 1.03576 1.03643 1.04508 1.05006 1.06221 1.06324 1.06653 1.07166 1.07770 1.08164 1.08736 1.09193 1.09415 1.09705 1.09829 1.10888 1.11448 1.12464 1.13079 1.13303 1.13661 1.14493 1.16372 1.16407 1.16908 1.18779 1.19864 1.21060 1.21926 1.23206 1.24210 1.24750 1.25976 1.26437 1.27033 1.27678 1.29045 1.30042 1.30599 1.30824 1.31971 1.32553 1.33084 1.33677 1.34159 1.34378 1.35833 1.36657 1.37220 1.37611 1.37914 1.38261 1.38827 1.39649 1.40116 1.40403 1.41164 1.41547 1.42015 1.42329 1.43501 1.44023 1.44498 1.45171 1.45909 1.46180 1.46886 1.47645 1.48050 1.48471 1.49567 1.49870 1.51096 1.51809 1.52042 1.52174 1.53365 1.53970 1.54845 1.55998 1.56653 1.57500 1.58241 1.58837 1.59474 1.60683 1.62041 1.62967 1.63100 1.63579 1.64415 1.65326 1.66672 1.67499 1.68395 1.68611 1.69764 1.70120 1.70960 1.71229 1.72785 1.73321 1.74372 1.75206 1.76526 1.76981 1.77368 1.78793 1.79319 1.80141 1.81329 1.82764 1.84585 1.85896 1.86927 1.93791 2.00526 2.02800 2.03725 2.04696 2.05629 2.07723 2.10397 2.11253 2.15108 2.17180 2.17658 2.20866 2.21756 2.23240 2.28064 2.29024 2.31344 2.31522 2.33199 2.33915 2.34328 2.35160 2.35530 2.36399 2.39090 2.40287 2.41031 2.42819 2.45994 2.46988 2.48620 2.51185 2.52035 2.54296 2.58124 2.61686 2.63032 2.63465 2.65954 2.67159 2.67655 2.68506 2.70366 2.72223 2.72544 2.73250 2.74974 2.75954 2.76842 2.77182 2.77822 2.77911 2.78377 2.81088 2.81852 2.81978 2.82661 2.83502 2.84407 2.88235 2.88960 2.91999 2.93184 2.99543 3.06876 3.08309 3.09017 3.09224 3.09571 3.09739 3.09958 3.10893 3.12102 3.12505 3.13063 3.13100 3.13513 3.13704 3.13802 3.13980 3.14309 3.14401 3.14635 3.15827 3.15943 3.16819 3.17212 3.17874 3.18627 3.19361 3.20222 3.21553 3.21979 3.23608 3.24705 3.31447 3.31906 3.32686 3.32967 3.33241 3.33675 3.34677 3.35027 3.35971 3.36544 3.37079 3.38921 3.39203 3.40817 3.59040 3.67957 3.69534 3.70150 3.70448 3.71223 3.72173 3.74404 3.75086 3.75494 3.76001 3.78469 3.79157 3.79482 3.81502 3.82003 3.82888 3.83204 3.83833 3.85829 3.86286 3.88447 3.90355 3.91484 3.91677 3.92387 3.93134 3.94014 3.94466 3.95353 3.95454 3.96262 3.96704 3.97111 3.97772 3.97875 3.97986 3.99592 4.03585 4.12137 4.24123 4.26548 4.40883 4.67249 4.68426 5.01476 5.01713 5.02407 5.02866 5.03846 5.04365 5.04723 5.05116 5.05833 5.07010 5.12036 5.15451 5.18376 5.20486 5.21643 5.35054 5.38846 5.39141 5.40163 5.40845 5.41686 5.42861 5.44326 5.45760 5.46070 5.47830 5.48720 5.50740 5.52550 5.54623 5.61121 5.66885 5.67591 5.68441 5.68892 5.70771 5.72166 5.72725 5.73259 5.73420 5.74931 5.75294 5.75689 5.77572 5.82690 6.35899 6.39316 6.40406 6.44733 6.44864 6.47967 6.52553 6.63139 6.65551 14.61731 49.88920 49.89199 49.90112 49.90636 49.91887 49.92881 49.94148 49.94550 49.94711 49.94984 49.95578 49.96929 49.98554 49.99383 50.02750 66.86036 66.87560 66.88055 1-A. 0.6111 5.3956 0.8297 5.4931 -168.7663 -173.1196 -175.6244 -0.6776 -13.7236 -7.0497 3.7372 -0.6162 -3.1210 -0.6776 -13.7236 -7.0497 -9.8502 122.0552 -12.1057 -44.1674 31.0990 -6.5680 20.4922 17.7479 9.3272 -25.9358 -4524.4658 -3467.5286 -3203.9922 401.9875 -267.7064 -12.3233 35.3462 -37.3089 -159.2606 -1453.8237 -1452.8151 -1131.6595 -131.2353 -77.0016 -74.8568 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3648,1.2686,-.3051;1.7852,.5744,-1.4861;2.5317,1.5534,.4617;.8202,2.5345,-.7265;.4063,.4837,.4008;-.3669,-2.3003,-.8026;.8377,-.8577,1.4521;-.3562,-.4263,-3.1798;-.7002,-.8709,-2.3693;-.1935,4.2586,1.2716;.2788,3.7801,.57;.478,-.0386,-2.8708;.4925,4.5216,1.8982;-1.0153,-1.5601,-.7681;-.5358,-.8228,-.3296;1.0257,-1.538,2.14;.8118,-2.3821,1.7216;-3.3272,1.4014,-.0201;-3.44,.4284,.0671;-2.7609,1.5318,-.8101;-3.3294,-1.751,3.0539;-4.0581,-1.3189,3.5159;-2.5259,-1.2323,3.2981;.9233,-3.4982,-1.1681;.8067,-3.441,-2.1391;1.7307,-2.9665,-.998;3.1675,-1.8508,-.9164;2.7393,-1.0451,-1.2468;3.4357,-1.603,-.0076;-3.549,-1.355,.3005;-3.4833,-1.5009,1.2687;-2.6533,-1.5483,-.0485;.4905,-3.0316,-3.9236;1.3272,-3.0059,-4.404;.2374,-2.0935,-3.8006;-1.0608,-.3245,3.6327;-1.1717,.4764,3.0816;-.3409,-.8217,3.1969;3.695,-.8125,1.6667;3.4672,.0717,1.3373;2.837,-1.158,1.9861;-1.6196,1.9747,-2.1774;-1.3023,1.1658,-2.6228;-.8414,2.2822,-1.6862;-1.4453,1.84,1.9151;-1.0924,2.7474,1.811;-.2071,1.0101,.9643;-2.1726,1.7449,1.2534; 0.000000 1.432863 0.000000 1.425086 2.304208 0.000000 1.441118 2.313045 2.302952 0.000000 1.425863 2.338784 2.380195 2.376570 0.000000 3.997869 3.655523 4.985122 4.979032 3.129967 0.000000 2.808281 3.403135 3.108657 4.031559 1.757983 2.935278 0.000000 3.754729 2.907892 5.051705 4.021092 3.772332 3.027126 4.802727 0.000000 3.619703 3.007737 4.933264 4.075246 3.276094 2.146804 4.119248 0.986455 0.000000 3.722173 5.009269 3.924348 2.827052 3.920161 6.881217 5.222228 6.464475 6.310661 0.000000 2.872856 4.095495 3.169490 1.877617 3.303245 6.266792 4.753914 5.670808 5.588382 0.971719 0.000000 3.012892 2.000510 4.225819 3.366920 3.313808 3.179101 4.414462 0.970402 1.527257 6.006324 5.144048 0.000000 4.024676 5.357654 3.877143 3.308283 4.307471 7.387236 5.408768 7.140582 6.979477 0.965564 1.536091 6.598389 0.000000 3.725660 3.593706 4.877264 4.487428 2.750355 0.984655 2.975952 2.745294 1.771467 6.220341 5.655380 2.994399 6.809526 0.000000 2.826111 2.945656 3.960128 3.642567 1.768686 1.560490 2.249994 2.883237 2.046794 5.338714 4.760288 2.846096 5.880800 0.982690 0.000000 3.737741 4.264725 3.826463 4.984458 2.737848 3.343566 0.985643 5.607729 4.874185 5.986719 5.595148 5.258952 6.087845 3.552936 3.008198 0.000000 4.212006 4.469678 4.475947 5.492422 3.181464 2.787008 1.548315 5.404958 4.615737 6.731381 6.291553 5.166585 6.913358 3.195675 2.907745 0.966111 0.000000 4.702522 5.382337 5.880657 4.357034 3.867641 4.804038 4.961631 4.706485 4.193218 4.433042 4.359995 4.967839 5.291999 3.830811 3.582603 5.679330 5.871972 0.000000 4.891884 5.453122 6.089558 4.818192 3.861162 4.200759 4.676658 4.558845 3.889818 5.163402 5.031539 4.919369 5.964178 3.245135 3.187049 5.301549 5.358521 0.983446 0.000000 4.164838 4.694769 5.443337 3.719809 3.549124 4.518483 4.876204 3.902884 3.528556 4.284905 4.024855 4.147690 5.182493 3.550906 3.275098 5.697869 5.873016 0.980636 1.564652 0.000000 6.514387 7.223505 7.210575 7.062383 5.097932 4.893985 4.552961 7.032418 6.090843 7.009003 7.055730 7.247847 7.435654 4.472055 4.484910 4.455117 4.395774 4.403199 3.699073 5.102042 0.000000 7.120588 7.921385 7.810485 7.526232 5.734440 5.765206 5.333024 7.702831 6.790520 7.146984 7.313458 7.937569 7.578623 5.260147 5.238382 5.271256 5.297673 4.520837 3.915228 5.340698 0.964955 0.000000 5.863013 6.688631 6.433095 6.448452 4.465033 4.755750 3.855120 6.878982 5.965089 6.300502 6.358730 6.964412 6.646645 4.350023 4.157922 3.748112 3.866135 4.311553 3.746013 4.957073 0.987115 1.550030 0.000000 4.864265 4.174921 5.546301 6.049714 4.310906 1.798072 3.720873 3.888537 3.313762 8.207684 7.510649 3.881495 8.596764 2.770259 3.160606 3.846611 3.099749 6.587180 5.998525 6.245193 6.242111 7.176614 6.080924 0.000000 5.084750 4.184215 5.889304 6.140248 4.691978 2.112986 4.423936 3.394697 2.988138 8.480356 7.730620 3.495668 8.933166 2.955861 3.454154 4.688323 4.003299 6.710311 6.154192 6.262820 6.850625 7.755559 6.748855 0.979655 0.000000 4.306873 3.574795 4.816794 5.582434 3.951457 2.209432 3.353667 3.945634 3.490109 7.813717 7.076926 3.694450 8.123543 3.093701 3.190406 3.519158 2.929500 6.754014 6.276563 6.359562 6.595431 7.523248 6.291362 0.981546 1.543081 0.000000 3.654259 2.849036 3.727192 4.977644 3.848219 3.564623 3.467495 4.423648 4.246174 7.308052 6.500860 3.786425 7.462240 4.195475 3.887836 3.745198 3.576393 7.318538 7.058371 6.826358 7.614653 8.493323 7.110420 2.795214 3.097899 1.820908 0.000000 2.851099 1.894807 3.116763 4.094773 3.239513 3.379501 3.306804 3.701521 3.622183 6.562930 5.712908 2.960328 6.776954 3.819842 3.408334 3.827524 3.783450 6.655231 6.486972 6.089589 7.471536 8.304355 6.957919 3.053090 3.204900 2.184233 0.970440 0.000000 3.552856 3.106637 3.316652 4.947382 3.701072 3.946856 3.071688 5.081946 4.818623 7.011754 6.267167 4.403768 7.057259 4.515680 4.060186 3.228650 3.237586 7.400212 7.169861 6.990618 7.427063 8.285637 6.826748 3.354157 3.851402 2.397293 0.979441 1.527095 0.000000 5.603132 5.947113 6.742390 5.939100 4.362946 3.498042 4.562566 4.813425 3.934130 6.611680 6.410460 5.292119 7.308925 2.757440 3.124011 4.934123 4.700087 2.783863 1.801881 3.191850 2.790434 3.255683 3.169757 5.172202 5.410644 5.670772 6.843784 6.483233 6.995852 0.000000 5.800957 6.297075 6.794178 6.227816 4.452092 3.826434 4.372544 5.542838 4.623552 6.632805 6.521567 5.913178 7.243866 3.200478 3.420854 4.592643 4.407908 3.179450 2.273251 3.747027 1.809246 2.326695 2.259930 5.417181 5.812185 5.871245 7.009287 6.727275 7.036471 0.981327 0.000000 4.913815 5.125706 6.063434 5.403188 3.700283 2.522258 3.862127 4.042375 3.107930 6.443062 6.113261 4.477663 7.108398 1.789100 2.255876 4.280763 3.979328 3.025901 2.130657 3.174699 3.181721 3.838122 3.363872 4.224635 4.463660 4.704422 5.892855 5.546952 6.089333 0.980549 1.557635 0.000000 5.687622 4.541087 6.664819 6.427462 5.573614 3.318255 5.809033 2.838633 2.915872 8.978013 8.163146 3.172801 9.536476 3.793450 4.341497 6.267800 5.691556 7.033051 6.583807 6.410189 8.057168 8.886495 8.030489 2.828069 1.857987 3.178325 4.195710 4.021006 5.103980 6.080431 6.715251 5.205770 0.000000 5.922234 4.641434 6.775904 6.669160 6.009280 4.042008 6.256830 3.314671 3.578929 9.343315 8.478793 3.446284 9.852801 4.560434 4.983656 6.713389 6.178796 7.765723 7.383205 7.086606 8.881402 9.724820 8.792797 3.297911 2.364277 3.430030 4.109019 3.975717 5.073675 6.973876 7.588520 6.077752 0.965139 0.000000 4.979254 3.856297 6.060646 5.586496 4.931802 3.065311 5.429432 1.875473 2.102984 8.140153 7.321450 2.268306 8.735065 3.324164 3.776250 6.018434 5.559526 6.262012 5.902754 5.574582 7.734604 8.519537 7.666060 3.061659 2.213702 3.293458 4.118656 3.725677 4.985701 5.630358 6.316062 4.767746 0.979387 1.544129 0.000000 4.891692 5.925396 5.146732 5.542155 3.640204 4.904820 2.940084 6.849663 6.037597 5.227999 5.293725 6.689215 5.376493 4.571186 4.027957 2.838034 3.375296 4.632382 4.352105 5.106360 2.741614 3.160013 1.755669 6.087428 6.820123 6.017943 6.395502 6.226555 5.924927 4.284460 3.583431 4.193445 8.175170 8.802340 7.750443 0.000000 4.304806 5.442094 4.662546 4.764976 3.110740 4.841953 2.910829 6.378477 5.634640 4.305529 4.396225 6.198172 4.531414 4.357926 3.705239 3.126205 3.735613 3.888750 3.772816 4.334089 3.101285 3.426741 2.190961 6.184338 6.820229 6.076163 6.342557 6.028735 5.924074 4.091424 3.541139 4.011456 8.008856 8.625805 7.480274 0.978566 0.000000 4.420735 5.329131 4.623256 5.292021 3.174971 4.264118 2.105897 6.388992 5.577964 5.434852 5.334959 6.172569 5.561682 4.089131 3.531930 1.870195 2.437180 4.920365 4.578515 5.239427 3.132987 3.763841 2.225544 5.273965 6.053958 5.146655 5.503311 5.411441 5.014096 4.354954 3.748915 4.050652 7.501773 8.082472 7.135620 0.977496 1.545555 0.000000 3.694372 3.938321 2.898715 5.019348 3.754681 4.980910 2.865637 6.328468 5.967395 6.402457 5.827951 5.615706 6.225915 5.354773 4.678143 2.806315 3.283256 7.553654 7.416611 7.301270 7.221351 7.986617 6.444904 4.788609 5.452995 3.949484 2.833455 3.075033 1.869528 7.391612 7.222229 6.616921 6.815021 6.875312 6.594496 5.169275 5.229535 4.316230 0.000000 2.924070 3.324655 1.958900 4.163087 3.227336 4.990574 2.791223 5.938933 5.656387 5.561874 4.950458 5.162906 5.381916 5.214244 4.427549 3.032547 3.635976 7.055115 7.032062 6.747790 7.243164 7.956735 6.439091 5.049000 5.612753 4.207097 2.977437 2.907736 2.148101 7.234462 7.126549 6.481145 6.794773 6.856659 6.443495 5.092060 4.972502 4.331008 0.970636 0.000000 3.647683 4.020428 3.125525 5.006063 3.334179 4.398517 2.091080 6.117136 5.618198 6.247684 5.738920 5.514326 6.145125 4.752675 4.105049 1.857142 2.381228 6.969489 6.752813 6.811101 6.286290 7.064617 5.521556 4.368969 5.133427 3.660537 3.002290 3.236402 2.128656 6.607706 6.370214 5.868203 6.628879 6.821129 6.412503 4.312710 4.465590 3.417337 0.978520 1.526508 0.000000 3.593130 3.745860 4.937161 2.893289 3.602044 4.662139 5.218628 2.892393 2.996654 4.375526 3.796223 2.989024 5.249534 3.853127 3.523519 6.162573 6.332131 2.810380 3.277635 1.835308 6.646177 7.014813 6.409934 6.118641 5.934521 6.085287 6.256271 5.383762 6.562317 4.577057 5.237249 4.244122 5.706598 6.200685 4.757510 6.273469 5.486546 6.191788 7.126702 6.469164 6.856424 0.000000 3.534935 3.342880 4.936021 3.158260 3.539398 4.025260 5.027872 1.933964 2.138994 5.095215 4.419108 2.163725 5.909492 3.309602 3.130679 5.951108 5.994304 3.306006 3.514183 2.355331 6.696507 7.173026 6.504273 5.368680 5.089686 5.377279 5.656075 4.807908 6.079037 4.466314 5.197326 3.977312 4.746022 5.243147 3.792255 6.435204 5.747408 6.224483 6.876518 6.295100 6.616437 0.976429 0.000000 2.793274 3.139403 4.064822 1.935401 3.024479 4.691049 4.746333 3.130865 3.229396 3.615872 2.930706 2.920676 4.431938 3.954369 3.402251 5.720226 6.008554 3.119414 3.641931 2.239493 6.702748 7.097688 6.327159 6.065961 5.973010 5.885424 5.809129 4.907692 6.017183 4.950498 5.479347 4.542930 5.917502 6.328812 4.978121 5.927476 5.109026 5.807767 6.434131 5.708983 6.233188 0.970229 1.528402 0.000000 3.626616 4.858525 4.243912 3.548603 2.749694 5.068587 3.564222 5.681550 5.124422 2.798302 2.923332 5.489305 3.308508 4.352557 3.599511 4.191317 4.791405 2.734801 3.063734 3.041789 4.212191 4.400874 3.538282 6.603926 7.028250 6.455547 6.551043 5.985923 6.274862 4.152155 3.966467 4.098232 7.846645 8.432065 7.139523 2.789846 1.815169 3.153938 5.789571 5.252869 5.227896 4.098395 4.589952 3.678277 0.000000 3.564138 4.886023 4.047315 3.184694 3.059295 5.730334 4.104993 5.960079 5.542630 1.839180 2.118231 5.669844 2.380612 5.021182 4.199866 4.791633 5.472293 3.187291 3.732277 3.336400 5.175442 5.313783 4.483803 7.207316 7.583290 6.964800 6.835853 6.197988 6.537338 5.014571 4.904936 4.934289 8.293878 8.808025 7.529482 3.571649 2.603491 3.901834 5.967656 5.307909 5.542892 4.096587 4.712141 3.536943 0.979162 0.000000 2.036948 3.188009 2.837038 2.497627 0.985327 3.755826 2.194982 4.388559 3.859314 3.263009 2.839861 4.034502 3.700308 3.203181 2.267617 3.065088 3.621933 3.295095 3.405176 3.153254 4.662554 5.173467 3.981402 5.113631 5.520061 4.839238 4.807196 4.218253 4.587170 4.147617 4.139020 3.681740 6.380745 6.877571 5.703916 3.103303 2.387059 2.890967 4.363577 3.810479 3.874420 3.577189 3.753899 3.007723 1.767983 2.125805 0.000000 3.894723 4.953640 4.774271 3.674252 2.994680 4.883769 3.984296 5.259910 4.704680 3.199310 3.258594 5.216822 3.902345 4.043342 3.431936 4.668247 5.114437 1.753024 2.178714 2.156286 4.098997 4.249777 3.628950 6.552685 6.875928 6.519244 6.793580 6.177453 6.652099 3.523040 3.500471 3.573686 7.530491 8.174626 6.788534 3.343595 2.439849 3.704007 6.413951 5.883304 5.836064 3.482662 4.014715 3.271420 0.987837 1.575630 2.118178 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4294,1.8618,-.3844;1.7487,1.4966,-.8076;.5577,2.9583,.5169;-.2696,2.3525,-1.5452;-.2222,.7328,.1934;1.3735,-1.9562,.3326;.0588,.1907,1.842;1.9193,-.897,-2.4501;1.4252,-1.3492,-1.7259;-2.9581,3.1618,-1.2146;-2.0025,3.0484,-1.3494;2.0674,-.0106,-2.0839;-3.036,3.8977,-.5943;.5865,-1.8581,-.2509;.2636,-.944,-.0901;.0878,-.0856,2.7876;.617,-.8938,2.7956;-2.7561,-1.1962,-2.0013;-2.4087,-1.9646,-1.4953;-1.9827,-.8172,-2.4701;-3.1014,-3.0846,1.9614;-4.0498,-3.2093,1.8343;-2.9965,-2.1327,2.2005;2.987,-1.9905,1.1256;3.4771,-2.1517,.2928;3.133,-1.036,1.3017;3.4454,.757,1.3583;2.9871,1.0059,.5399;2.9406,1.2337,2.0492;-1.7551,-3.2971,-.4735;-2.2326,-3.235,.3816;-.8863,-2.872,-.3127;4.1664,-2.2973,-1.4265;4.972,-1.7708,-1.4989;3.4779,-1.7763,-1.8889;-2.7197,-.4385,2.5686;-2.8419,-.0053,1.6997;-1.7612,-.3634,2.7449;1.7013,2.1933,3.0683;1.3303,2.6352,2.2878;1.1353,1.4009,3.1646;-.6479,.1053,-3.3279;.2145,-.3197,-3.1575;-.607,.9188,-2.8007;-2.9643,.6456,.0097;-3.119,1.5276,-.3863;-1.2056,.7675,.143;-2.9724,-.0015,-.7367; 0.2171251 0.1841831 0.1699720 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 604 604 604 604 604 MxSgAt= 48 MxSgA2= 48. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 592 RedAO= T EigKep= 1.01D-04 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 605 605 605 605 605 MxSgAt= 48 MxSgA2= 48. 1 2.40425480e-01 2.12280497e+00 3.26419274e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 -0.006599295 -0.004604514 0.002379656 0.003745555 -0.006932123 -0.007417124 0.008536434 0.001257624 0.006316984 -0.007203868 0.007720980 -0.001712064 -0.002054571 -0.002784058 0.001548931 -0.000286462 0.000075897 0.000199669 -0.000621778 0.003079938 -0.002885012 -0.001701776 0.000071073 -0.002166663 -0.000650534 -0.000663823 0.001833414 -0.002531303 0.001088577 0.001418357 0.001155800 -0.001352294 -0.005332676 0.003147169 0.002550616 0.000752113 0.002745896 -0.000059971 0.002598764 -0.002730286 -0.001587369 -0.000212647 0.002799009 0.002740245 0.001307752 0.000423881 -0.000321224 0.002939941 -0.000603018 -0.002826326 -0.000805254 -0.002493295 0.001649565 0.000335906 -0.000622420 -0.001448607 0.000114308 0.000782262 0.000920338 -0.002853353 -0.000486539 -0.002597991 -0.001217001 -0.002919342 0.000870105 0.001738540 0.001638080 0.000926558 0.001035403 -0.000789246 -0.001824393 0.001895442 -0.000291286 -0.000673315 -0.001941728 0.001620333 0.000549853 0.000490078 0.000741677 -0.003647542 -0.001359430 -0.002177501 0.005377025 -0.001893809 0.001330168 0.000446458 0.002360923 -0.003347734 -0.000106424 -0.001181081 -0.000066558 -0.000870890 0.001603957 0.003273566 -0.000564159 -0.001530758 -0.000925318 -0.003099703 0.000031704 0.003185369 -0.000093106 -0.000958656 -0.002314476 0.003573883 0.000076755 -0.000722336 -0.000756305 0.003046083 -0.000049925 0.003018993 -0.002221555 0.003413537 -0.001496221 -0.001589055 0.002617171 -0.001987746 -0.000032362 0.000576653 0.004135062 -0.000889345 -0.003461471 -0.000800104 0.001191187 -0.003819732 0.001491597 0.000314525 0.001271820 -0.004291161 -0.002624112 0.005309097 0.001943076 0.002760053 -0.000857645 -0.000073375 0.002787915 -0.000246661 0.001008235 0.000064879 0.001894530 0.000448442 -0.001028085 0.000366369 0.000518604 0.000708529 0.008536434 0.002571221 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1471.49568574213 -1471.49568675879 -0.000001016663 -1471.49568676011 -0.000000001320 -1471.49568677024 -0.000000010130 -1471.49568677057 -0.000000000333 -1471.49568677 5 1.466673162411e+03 -7.683846536431e+03 2.655401466022e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT75889.400S Wed Nov 6 02:26:38 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 1.042282 -0.484573 -0.462707 -0.467282 -1.023218 0.471776 0.377740 -0.695574 0.390461 -0.590911 0.309094 0.301178 0.298639 -0.897633 0.438228 -0.694211 0.306997 -0.813154 0.418316 0.377208 -0.745212 0.307794 0.412166 -0.808210 0.394151 0.391618 -0.724389 0.310323 0.399679 -0.810636 0.419632 0.384128 -0.704744 0.308074 0.400347 -0.740535 0.380771 0.371566 -0.687570 0.304764 0.379257 -0.631126 0.325190 0.298507 -0.975365 0.451611 0.520448 0.465106 -1.00000 -24.65227 -24.65073 -24.64279 -19.13022 -19.12850 -19.12422 -19.12398 -19.12032 -19.11879 -19.11864 -19.11780 -19.11650 -19.11637 -19.11350 -19.11152 -19.11062 -19.10853 -19.10657 -6.85754 -1.20169 -1.16116 -1.15493 -1.02648 -1.02260 -1.02055 -1.01515 -1.01189 -1.01133 -1.01024 -1.00815 -1.00333 -1.00178 -0.99735 -0.99615 -0.99109 -0.98570 -0.98378 -0.58077 -0.54436 -0.54025 -0.53721 -0.53544 -0.53178 -0.52964 -0.52780 -0.52670 -0.52566 -0.52358 -0.52215 -0.51960 -0.51931 -0.51680 -0.51395 -0.50071 -0.49587 -0.44617 -0.43369 -0.43274 -0.42236 -0.42073 -0.41803 -0.41432 -0.41121 -0.40754 -0.40547 -0.40389 -0.39988 -0.39506 -0.39078 -0.38817 -0.38580 -0.37889 -0.37707 -0.37337 -0.37135 -0.35495 -0.32850 -0.32667 -0.32438 -0.32259 -0.32064 -0.32036 -0.31919 -0.31898 -0.31803 -0.31716 -0.31541 -0.31466 -0.31199 -0.31011 -0.30732 -0.00576 0.01584 0.02276 0.02485 0.04747 0.05563 0.06195 0.06720 0.07420 0.08621 0.09026 0.10162 0.10770 0.10879 0.11008 0.11418 0.11753 0.12936 0.13246 0.13652 0.13980 0.14164 0.14813 0.15094 0.15227 0.15567 0.15625 0.16393 0.16707 0.16946 0.17715 0.17814 0.18032 0.18121 0.18799 0.19195 0.19490 0.19837 0.20349 0.20547 0.20915 0.20939 0.21456 0.21766 0.22023 0.22817 0.23302 0.23402 0.23797 0.23867 0.24269 0.24481 0.25060 0.25491 0.25543 0.25758 0.25930 0.26329 0.26538 0.26929 0.27296 0.27345 0.27639 0.28211 0.28358 0.28604 0.28857 0.28984 0.29276 0.29539 0.29650 0.29779 0.30373 0.30521 0.30774 0.31236 0.31886 0.32474 0.33148 0.33768 0.34651 0.35324 0.35992 0.36447 0.37186 0.37391 0.37975 0.39421 0.39675 0.41842 0.42022 0.43833 0.44855 0.46032 0.46420 0.47148 0.47963 0.48487 0.49207 0.49615 0.50151 0.50584 0.51505 0.51589 0.52193 0.53119 0.53690 0.54316 0.54585 0.54869 0.56224 0.56743 0.57231 0.57896 0.58490 0.58902 0.59396 0.59958 0.60019 0.60632 0.61206 0.61458 0.62080 0.62936 0.63187 0.63914 0.64794 0.65125 0.66333 0.67124 0.67534 0.68129 0.68849 0.68987 0.70092 0.70307 0.71432 0.71512 0.73490 0.77020 0.78501 0.83562 0.94204 0.95399 0.96389 0.96768 0.97402 0.98410 0.98927 0.99501 1.00011 1.00291 1.01002 1.01345 1.01437 1.01919 1.02579 1.03009 1.04034 1.05112 1.05791 1.05965 1.06179 1.06426 1.07366 1.07778 1.07968 1.08331 1.08751 1.09027 1.09806 1.10071 1.10600 1.11249 1.11539 1.11964 1.12663 1.13989 1.14059 1.14469 1.15719 1.16445 1.17182 1.18340 1.19097 1.20628 1.22062 1.23509 1.24651 1.24723 1.25645 1.26227 1.26673 1.27840 1.28789 1.29616 1.30605 1.30714 1.31179 1.31727 1.32348 1.32510 1.33281 1.33983 1.35355 1.35887 1.35921 1.36513 1.37289 1.37831 1.38530 1.38809 1.39308 1.40079 1.40491 1.41092 1.41581 1.43107 1.43183 1.43702 1.44863 1.45020 1.45254 1.46441 1.46815 1.47414 1.48040 1.48338 1.48994 1.49914 1.50547 1.51298 1.51742 1.52506 1.53199 1.53665 1.54493 1.55439 1.56156 1.56661 1.57280 1.57625 1.59476 1.59995 1.61878 1.62748 1.63567 1.64705 1.65180 1.65704 1.65948 1.66972 1.67606 1.69614 1.69948 1.70275 1.70840 1.72140 1.72939 1.74432 1.75003 1.76298 1.76638 1.77071 1.77339 1.79423 1.79878 1.80794 1.81408 1.83381 1.84011 1.84928 1.86173 1.92143 2.01590 2.03451 2.03544 2.04374 2.07471 2.12342 2.13768 2.17006 2.18202 2.19483 2.22604 2.23707 2.25357 2.26727 2.27491 2.28488 2.29998 2.30307 2.31405 2.33822 2.33926 2.34204 2.35871 2.36978 2.39226 2.39670 2.40343 2.42307 2.42963 2.44065 2.44865 2.47387 2.49566 2.52503 2.57238 2.58365 2.59000 2.59650 2.64725 2.66911 2.68029 2.69070 2.69716 2.70391 2.71333 2.72386 2.74714 2.75109 2.76003 2.76562 2.77069 2.77719 2.78510 2.79304 2.80138 2.80894 2.81711 2.83198 2.84360 2.84793 2.86848 2.89853 2.90699 2.97744 3.06988 3.08415 3.08664 3.09135 3.09179 3.09824 3.09996 3.10461 3.11079 3.11600 3.12542 3.12652 3.12923 3.13368 3.13737 3.14298 3.14519 3.14819 3.15365 3.15893 3.16369 3.16481 3.17021 3.17476 3.17609 3.17854 3.19558 3.20869 3.21170 3.22975 3.24678 3.30764 3.31242 3.31360 3.32310 3.33252 3.33612 3.34274 3.34878 3.35616 3.36630 3.36752 3.38293 3.39456 3.41509 3.58299 3.67638 3.68641 3.71007 3.71243 3.71854 3.73184 3.74165 3.75358 3.75529 3.76171 3.77041 3.78357 3.78900 3.80551 3.81950 3.82431 3.83941 3.85286 3.85916 3.86796 3.88364 3.90577 3.90925 3.91750 3.92465 3.92697 3.93727 3.94479 3.94799 3.95048 3.95387 3.95629 3.96145 3.96728 3.96989 3.98097 3.98498 4.02209 4.09745 4.21135 4.23023 4.38207 4.66175 4.66528 5.00876 5.01242 5.01716 5.02844 5.04403 5.04584 5.05025 5.05755 5.06083 5.06795 5.12099 5.15653 5.16771 5.19549 5.21403 5.34985 5.37167 5.38288 5.38774 5.40163 5.41010 5.42269 5.43776 5.44593 5.46480 5.47473 5.47696 5.49784 5.52689 5.54150 5.63539 5.66756 5.67544 5.67648 5.69054 5.69596 5.71857 5.72080 5.72129 5.73271 5.74221 5.74453 5.76586 5.76925 5.82440 6.36672 6.42791 6.43529 6.43757 6.46940 6.49585 6.56714 6.66987 6.71169 14.58736 49.88050 49.88254 49.88838 49.90558 49.92133 49.92870 49.93667 49.93772 49.94212 49.94591 49.94960 49.95668 49.97291 49.98237 50.01628 66.85283 66.87011 66.87688 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 1.066912 -0.489376 -0.455745 -0.449696 -0.956396 0.451925 0.372862 -0.707749 0.387784 -0.647717 0.315073 0.312581 0.313212 -0.888377 0.439091 -0.695736 0.310798 -0.800049 0.404447 0.378824 -0.741075 0.311823 0.404010 -0.807846 0.405035 0.393765 -0.709293 0.299998 0.372871 -0.806952 0.413854 0.387298 -0.721027 0.312898 0.398963 -0.751038 0.387909 0.374104 -0.693200 0.311392 0.369568 -0.690765 0.367300 0.300053 -0.913104 0.437387 0.484413 0.438992 -1.00000 5.57729709e-01 2.01025134e+00 2.06300008e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.4176 5.1095 0.5244 5.3284 -160.2079 -169.6004 -179.3428 -8.0570 -20.7414 -9.8209 9.5091 0.1166 -9.6258 -8.0570 -20.7414 -9.8209 16.2191 145.8878 0.9626 -60.4452 21.1993 -26.8573 41.2982 -8.1741 -1.3319 -23.3601 -4011.5399 -3326.5264 -3197.0054 161.0961 -439.5867 -135.4770 -46.4453 -73.4392 -141.0037 -1310.9776 -1417.5441 -1154.4391 -84.0282 -97.7199 -52.8385 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.4956868 8.389E-9 1.034E-5 -14.3935678,1.984056,12.4095118,6.5451174,-11.0893362,5.4065873 C01 [X(B1F3H29O15)] 1.7952054 1.0798314 0.0770343 -0.000004143 -0.000030440 0.000018205 0.000005087 0.000014067 -0.000000954 0.000013058 -0.000003538 -0.000004988 0.000002369 -0.000002548 -0.000008671 0.000003751 0.000008756 0.000003184 -0.000006849 -0.000019484 0.000011860 -0.000005694 0.000009631 -0.000014008 0.000013787 -0.000003175 -0.000010444 -0.000001252 -0.000001955 0.000003442 0.000013279 -0.000003452 0.000003645 0.000001450 0.000007123 -0.000000988 -0.000002266 -0.000001611 0.000003949 -0.000004004 -0.000006155 -0.000002904 0.000012088 0.000032329 -0.000028047 -0.000002035 -0.000008827 -0.000000736 0.000017972 -0.000014099 0.000005587 -0.000008715 -0.000004535 0.000001358 -0.000011773 0.000006067 -0.000009125 0.000011070 0.000010649 -0.000012617 -0.000011164 0.000000151 0.000012271 -0.000011189 0.000009774 -0.000005423 -0.000003910 0.000001607 0.000004284 0.000001834 -0.000002648 -0.000005526 -0.000012794 -0.000009532 0.000005152 0.000004644 0.000001178 0.000000668 0.000004384 0.000008952 -0.000004287 -0.000001169 -0.000013985 0.000002503 -0.000007450 -0.000001469 -0.000003784 0.000006019 -0.000002512 0.000019876 0.000002165 0.000000343 0.000015135 0.000000876 -0.000002478 -0.000020927 -0.000009351 -0.000006345 0.000004886 0.000001259 -0.000011352 -0.000010241 -0.000000464 -0.000002106 0.000005868 -0.000005421 0.000015757 0.000008894 0.000007473 0.000003435 0.000006912 -0.000009000 -0.000008204 -0.000008120 -0.000020875 0.000006662 0.000002036 -0.000014031 0.000012121 -0.000014908 0.000003596 -0.000020041 0.000010773 -0.000002452 0.000001932 0.000001301 0.000009820 -0.000011209 -0.000004606 0.000001877 0.000018475 0.000006683 0.000012769 0.000001844 -0.000006885 -0.000000713 0.000024443 0.000018171 0.000015860 0.000019713 0.000003489 -0.000013967 0.000001141 0.000009350 0.000004195 -0.000024449 -0.000011296 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3648,1.2686,-.3051;1.7852,.5744,-1.4861;2.5317,1.5534,.4617;.8202,2.5345,-.7265;.4063,.4837,.4008;-.3669,-2.3003,-.8026;.8377,-.8577,1.4521;-.3562,-.4263,-3.1798;-.7002,-.8709,-2.3693;-.1935,4.2586,1.2716;.2788,3.7801,.57;.478,-.0386,-2.8708;.4925,4.5216,1.8982;-1.0153,-1.5601,-.7681;-.5358,-.8228,-.3296;1.0257,-1.538,2.14;.8118,-2.3821,1.7216;-3.3272,1.4014,-.0201;-3.44,.4284,.0671;-2.7609,1.5318,-.8101;-3.3294,-1.751,3.0539;-4.0581,-1.3189,3.5159;-2.5259,-1.2323,3.2981;.9233,-3.4982,-1.1681;.8067,-3.441,-2.1391;1.7307,-2.9665,-.998;3.1675,-1.8508,-.9164;2.7393,-1.0451,-1.2468;3.4357,-1.603,-.0076;-3.549,-1.355,.3005;-3.4833,-1.5009,1.2687;-2.6533,-1.5483,-.0485;.4905,-3.0316,-3.9236;1.3272,-3.0059,-4.404;.2374,-2.0935,-3.8006;-1.0608,-.3245,3.6327;-1.1717,.4764,3.0816;-.3409,-.8217,3.1969;3.695,-.8125,1.6667;3.4672,.0717,1.3373;2.837,-1.158,1.9861;-1.6196,1.9747,-2.1774;-1.3023,1.1658,-2.6228;-.8414,2.2822,-1.6862;-1.4453,1.84,1.9151;-1.0924,2.7474,1.811;-.2071,1.0101,.9643;-2.1726,1.7449,1.2534; Gaussian 16 GINC-GANDULLAS LAMSABHI Optimization 14H2OBF3OH CONF160 water EM64L-G16RevC.01 138 C1[X(BF3H29O15)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3648,1.2686,-.3051;1.7852,.5744,-1.4861;2.5317,1.5534,.4617;.8202,2.5345,-.7265;.4063,.4837,.4008;-.3669,-2.3003,-.8026;.8377,-.8577,1.4521;-.3562,-.4263,-3.1798;-.7002,-.8709,-2.3693;-.1935,4.2586,1.2716;.2788,3.7801,.57;.478,-.0386,-2.8708;.4925,4.5216,1.8982;-1.0153,-1.5601,-.7681;-.5358,-.8228,-.3296;1.0257,-1.538,2.14;.8118,-2.3821,1.7216;-3.3272,1.4014,-.0201;-3.44,.4284,.0671;-2.7609,1.5318,-.8101;-3.3294,-1.751,3.0539;-4.0581,-1.3189,3.5159;-2.5259,-1.2323,3.2981;.9233,-3.4982,-1.1681;.8067,-3.441,-2.1391;1.7307,-2.9665,-.998;3.1675,-1.8508,-.9164;2.7393,-1.0451,-1.2468;3.4357,-1.603,-.0076;-3.549,-1.355,.3005;-3.4833,-1.5009,1.2687;-2.6533,-1.5483,-.0485;.4905,-3.0316,-3.9236;1.3272,-3.0059,-4.404;.2374,-2.0935,-3.8006;-1.0608,-.3245,3.6327;-1.1717,.4764,3.0816;-.3409,-.8217,3.1969;3.695,-.8125,1.6667;3.4672,.0717,1.3373;2.837,-1.158,1.9861;-1.6196,1.9747,-2.1774;-1.3023,1.1658,-2.6228;-.8414,2.2822,-1.6862;-1.4453,1.84,1.9151;-1.0924,2.7474,1.811;-.2071,1.0101,.9643;-2.1726,1.7449,1.2534; Optimization 14H2OBF3OH CONF160 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/water/CONF160/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 1 1 1 1 5 5 5 6 6 7 8 8 8 9 10 10 10 14 14 16 16 16 18 18 18 19 20 21 21 21 23 24 24 25 26 27 27 29 30 30 33 33 36 36 37 39 39 42 42 45 45 45 2 3 4 5 7 15 47 14 24 16 9 12 35 14 11 13 46 15 32 17 38 41 19 20 48 30 42 22 23 31 36 25 26 33 27 28 29 39 31 32 34 35 37 38 45 40 41 43 44 46 47 48 1.4329 1.4251 1.4411 1.4259 1.758 1.7687 0.9853 0.9847 1.7981 0.9856 0.9865 0.9704 1.8755 1.7715 0.9717 0.9656 1.8392 0.9827 1.7891 0.9661 1.8702 1.8571 0.9834 0.9806 1.753 1.8019 1.8353 0.965 0.9871 1.8092 1.7557 0.9797 0.9815 1.858 1.8209 0.9704 0.9794 1.8695 0.9813 0.9805 0.9651 0.9794 0.9786 0.9775 1.8152 0.9706 0.9785 0.9764 0.9702 0.9792 1.768 0.9878 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 2 2 2 3 3 4 1 1 1 7 7 15 9 9 12 11 11 13 6 6 6 9 9 15 7 7 7 17 17 38 19 19 20 22 22 23 6 6 25 26 26 28 19 19 31 25 25 34 23 23 37 29 29 40 20 20 43 37 37 37 46 46 47 1 1 1 1 1 1 5 5 5 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 16 16 16 16 16 16 18 18 18 21 21 21 24 24 24 27 27 27 30 30 30 33 33 33 36 36 36 39 39 39 42 42 42 45 45 45 45 45 45 3 4 5 4 5 5 7 15 47 15 47 47 12 35 35 13 46 46 9 15 32 15 32 32 17 38 41 38 41 41 20 48 48 23 31 31 25 26 26 28 29 29 31 32 32 34 35 35 37 38 38 40 41 41 43 44 44 46 47 48 47 48 48 107.461 107.1859 109.794 106.9271 113.2063 111.98 123.4429 124.0699 114.0518 79.2842 102.6142 107.4115 102.6031 88.9478 100.8654 104.9161 92.5669 112.3821 98.259 104.9703 128.4597 91.4087 121.5882 105.2083 104.9844 89.4667 89.251 114.6796 111.033 132.9339 105.6194 101.8243 100.3014 105.1245 110.2582 103.924 94.4268 101.1916 103.7757 98.353 114.3732 103.1031 105.7156 95.3821 105.1128 109.653 97.7244 105.1365 102.7844 105.464 104.3965 92.7965 91.23 103.1015 109.9997 101.428 103.4671 135.2518 83.5362 117.9745 97.2098 106.4568 96.3296 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 14 5 8 5 18 18 21 24 24 27 21 14 8 36 16 16 10 5 18 14 5 8 5 18 18 21 24 24 27 21 14 8 36 16 16 10 5 18 6 7 9 15 19 20 23 25 26 29 31 32 35 37 38 41 46 47 48 6 7 9 15 19 20 23 25 26 29 31 32 35 37 38 41 46 47 48 24 16 14 14 30 42 36 33 27 39 30 30 33 45 36 39 45 45 45 24 16 14 14 30 42 36 33 27 39 30 30 33 45 36 39 45 45 45 2 6 1 12 1 3 6 1 5 1 1 10 6 6 10 1 1 20 2 2 6 1 12 1 3 6 1 5 1 1 10 6 6 10 1 1 20 2 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 172.2802 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 185.3073 169.5784 177.5737 177.0238 176.3832 176.5506 170.8131 178.3503 167.4051 178.8026 170.491 167.2321 174.494 170.6243 163.203 166.0156 175.693 173.2355 188.3974 185.8092 184.7573 177.824 177.4079 187.2579 179.4857 183.8129 188.8116 179.7479 180.0587 173.8702 178.2823 176.8589 176.6077 184.413 183.2825 175.4197 184.1955 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 2 2 2 3 3 3 4 4 4 1 1 1 7 7 7 47 47 47 1 1 1 15 15 15 47 47 47 1 1 1 7 7 7 15 15 15 12 12 12 35 35 35 9 9 12 12 11 11 11 13 13 13 9 9 15 15 32 32 6 6 9 9 15 15 7 7 17 17 41 41 7 7 17 17 38 38 20 20 48 48 19 19 48 48 19 19 19 20 20 20 22 22 23 23 22 22 31 31 6 6 25 25 6 6 26 26 26 26 28 28 23 23 23 38 38 38 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 21 21 21 21 21 21 21 21 24 24 24 24 24 24 24 24 27 27 27 27 36 36 36 36 36 36 5 5 5 5 5 5 5 5 5 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 45 45 45 45 45 45 45 45 45 14 14 14 14 14 14 33 33 33 33 45 45 45 45 45 45 24 24 24 24 24 24 30 30 30 30 30 30 36 36 36 36 36 36 39 39 39 39 39 39 30 30 30 30 42 42 42 42 45 45 45 45 45 45 30 30 30 30 36 36 36 36 27 27 27 27 33 33 33 33 39 39 39 39 45 45 45 45 45 45 7 15 47 7 15 47 7 15 47 6 9 32 6 9 32 6 9 32 17 38 41 17 38 41 17 38 41 37 46 48 37 46 48 37 46 48 6 15 32 6 15 32 25 34 25 34 37 47 48 37 47 48 25 26 25 26 25 26 19 31 19 31 19 31 23 37 23 37 23 37 29 40 29 40 29 40 31 32 31 32 43 44 43 44 37 46 47 37 46 47 19 32 19 32 37 38 37 38 28 29 28 29 34 35 34 35 40 41 40 41 46 47 48 46 47 48 80.0692 -20.1638 -154.3839 -40.0151 -140.2481 85.5317 -160.9899 98.7771 -35.443 77.7003 -20.8376 -144.1774 -45.4021 -143.94 92.7202 -145.2423 116.2198 -7.12 -107.4271 138.227 5.1907 17.7683 -96.5776 130.3861 123.9736 9.6277 -123.4086 -140.6225 -5.7691 101.7058 -2.5911 132.2623 -120.2628 79.1533 -145.9933 -38.5185 -74.4025 30.4369 137.6068 26.5073 131.3466 -121.4835 -33.6155 -144.8203 68.1957 -43.0092 94.3344 15.7571 -80.3173 -10.9162 -89.4935 174.4321 -26.0975 78.0878 -117.8037 -13.6184 112.8432 -142.9715 167.8687 61.9336 -55.3297 -161.2647 43.5051 -62.4299 95.0899 -10.9224 -9.6829 -115.6952 -179.4983 74.4894 -68.0392 24.4136 35.5112 127.964 -150.943 -58.4903 139.4067 32.4188 35.8389 -71.1489 -0.3668 -109.1998 104.8281 -4.0049 -13.8064 167.8641 69.7325 -121.4935 60.177 -37.9546 61.7583 161.6269 -50.3252 49.5434 -74.84 176.5345 40.8865 -67.7391 -33.5198 74.4726 62.4871 170.4796 139.7859 31.7823 38.6101 -69.3935 -113.6668 -10.5684 -12.1185 90.98 161.9276 -105.4931 -12.061 -89.6309 2.9484 96.3805 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00019 0.00074 0.00096 0.00102 0.00132 0.00159 0.00170 0.00203 0.00232 0.00249 0.00266 0.00274 0.00302 0.00319 0.00348 0.00357 0.00408 0.00429 0.00439 0.00469 0.00482 0.00536 0.00565 0.00588 0.00606 0.00627 0.00651 0.00690 0.00705 0.00718 0.00775 0.00793 0.00810 0.00839 0.00864 0.00882 0.00921 0.00955 0.00970 0.00998 0.01036 0.01046 0.01090 0.01096 0.01132 0.01161 0.01174 0.01225 0.01273 0.01282 0.01320 0.01362 0.01405 0.01419 0.01433 0.01464 0.01495 0.01511 0.01559 0.01607 0.01634 0.01684 0.01699 0.01749 0.01773 0.01844 0.01903 0.01948 0.01997 0.02097 0.02237 0.02387 0.02400 0.02492 0.02572 0.02651 0.02831 0.03360 0.03576 0.03813 0.04209 0.04364 0.04446 0.04686 0.04910 0.05173 0.05558 0.06034 0.06343 0.06565 0.06684 0.07145 0.07386 0.07406 0.07675 0.08213 0.08754 0.10997 0.15159 0.16772 0.17886 0.19262 0.19524 0.26660 0.26871 0.34020 0.35740 0.37268 0.38954 0.39823 0.41077 0.42653 0.43419 0.44101 0.44404 0.44865 0.45644 0.45904 0.46025 0.46244 0.46458 0.46723 0.47363 0.47502 0.47800 0.47836 0.48481 0.49175 0.49734 0.49944 0.50083 0.50347 0.52397 0.52540 0.52672 0.52724 0.53445 0.64577 Angle between quadratic step and forces= 77.99 degrees. 1 2 3 0.00230558 0.00000830 0.00000000 0.00000757 0.00000098 0.00000098 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 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 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 2.70772 2.69302 2.72332 2.69449 3.32211 3.34233 1.86200 1.86073 3.39786 1.86260 1.86413 1.83379 3.54413 3.34759 1.83628 1.82465 3.47555 1.85702 3.38091 1.82569 3.53416 3.50949 1.85844 1.85313 3.31273 3.40506 3.46823 1.82350 1.86538 3.41898 3.31773 1.85128 1.85485 3.51109 3.44102 1.83386 1.85088 3.53290 1.85444 1.85297 1.82385 1.85077 1.84922 1.84720 3.43017 1.83424 1.84914 1.84518 1.83347 1.85035 3.34100 1.86674 1.87555 1.87075 1.91627 1.86623 1.97582 1.95442 2.15449 2.16543 1.99058 1.38377 1.79096 1.87468 1.79076 1.55243 1.76043 1.83113 1.61560 1.96144 1.71494 1.83208 2.24204 1.59538 2.12211 1.83623 1.83232 1.56149 1.55772 2.00154 1.93789 2.32013 1.84341 1.77717 1.75059 1.83477 1.92437 1.81382 1.64806 1.76613 1.81123 1.71658 1.99619 1.79949 1.84508 1.66473 1.83456 1.91381 1.70561 1.83498 1.79393 1.84069 1.82206 1.61960 1.59226 1.79946 1.91986 1.77025 1.80584 2.36059 1.45798 2.05904 1.69663 1.85802 1.68127 3.00686 3.23422 2.95970 3.09925 3.08965 3.07847 3.08139 2.98125 3.11280 2.92177 3.12069 2.97563 2.91875 3.04550 2.97796 2.84843 2.89752 3.06642 3.02353 3.28815 3.24298 3.22462 3.10361 3.09635 3.26827 3.13262 3.20814 3.29538 3.13719 3.14262 3.03461 3.11161 3.08677 3.08239 3.21861 3.19888 3.06165 3.21482 1.39747 -0.35192 -2.69451 -0.69840 -2.44779 1.49281 -2.80980 1.72399 -0.61860 1.35613 -0.36368 -2.51637 -0.79242 -2.51223 1.61827 -2.53496 2.02842 -0.12427 -1.87496 2.41252 0.09059 0.31012 -1.68560 2.27567 2.16375 0.16804 -2.15389 -2.45432 -0.10069 1.77510 -0.04522 2.30841 -2.09898 1.38149 -2.54806 -0.67227 -1.29857 0.53122 2.40169 0.46264 2.29243 -2.12029 -0.58670 -2.52759 1.19024 -0.75065 1.64645 0.27501 -1.40180 -0.19052 -1.56196 3.04441 -0.45549 1.36289 -2.05606 -0.23769 1.96949 -2.49532 2.92986 1.08095 -0.96568 -2.81460 0.75931 -1.08961 1.65963 -0.19063 -0.16900 -2.01926 -3.13284 1.30009 -1.18751 0.42610 0.61979 2.23339 -2.63445 -1.02085 2.43311 0.56582 0.62551 -1.24178 -0.00640 -1.90590 1.82960 -0.06990 -0.24097 2.92978 1.21706 -2.12046 1.05029 -0.66243 1.07789 2.82092 -0.87834 0.86470 -1.30620 3.08111 0.71360 -1.18227 -0.58503 1.29979 1.09061 2.97543 2.43972 0.55471 0.67387 -1.21114 -1.98386 -0.18445 -0.21151 1.58790 2.82617 -1.84120 -0.21050 -1.56435 0.05146 1.68216 -0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00002 0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00000 -0.00002 0.00000 0.00002 0.00001 0.00001 -0.00002 -0.00002 0.00002 -0.00000 0.00002 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -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 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00002 -0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 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 -0.00000 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 0.00001 0.00000 -0.00000 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 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00008 0.00001 0.00010 -0.00002 -0.00035 0.00039 -0.00003 0.00000 0.00038 0.00006 0.00008 -0.00003 -0.00059 -0.00123 -0.00001 -0.00001 -0.00061 -0.00002 0.00050 0.00000 0.00042 -0.00061 -0.00005 -0.00007 0.00069 0.00062 0.00098 -0.00001 -0.00002 -0.00034 -0.00006 0.00000 0.00003 0.00042 -0.00009 0.00001 0.00005 -0.00072 -0.00006 -0.00000 -0.00001 0.00006 -0.00003 -0.00004 0.00062 -0.00004 0.00001 -0.00009 0.00002 0.00007 0.00092 -0.00002 -0.00002 -0.00009 0.00006 -0.00006 0.00011 -0.00000 -0.00048 -0.00085 0.00018 0.00032 0.00049 0.00054 -0.00005 -0.00022 0.00066 0.00000 0.00054 -0.00076 0.00079 0.00002 -0.00280 0.00099 0.00207 -0.00015 0.00005 -0.00043 0.00029 -0.00001 0.00075 -0.00074 -0.00007 0.00022 0.00015 0.00015 0.00627 0.00051 -0.00035 -0.00013 -0.00013 -0.00032 0.00054 -0.00002 0.00128 -0.00082 -0.00007 -0.00110 0.00004 -0.00003 0.00125 -0.00168 0.00003 0.00062 -0.00064 0.00000 0.00067 0.00040 -0.00001 0.00139 -0.00084 -0.00120 -0.00061 0.00010 -0.00119 -0.00049 0.00064 0.00045 -0.00027 0.00028 0.00018 -0.00058 -0.00030 0.00020 -0.00008 -0.00116 -0.00045 0.00032 0.00076 0.00061 0.00029 0.00046 -0.00051 0.00068 0.00048 0.00003 -0.00020 -0.00019 0.00032 0.00009 0.00043 -0.00028 0.00025 -0.00032 -0.00170 -0.00013 -0.00033 0.00086 -0.00026 0.00058 -0.00032 0.00014 -0.00035 -0.00136 -0.00076 -0.00087 -0.00144 -0.00084 -0.00095 -0.00143 -0.00084 -0.00095 0.00224 0.00123 -0.00130 0.00281 0.00180 -0.00074 0.00228 0.00127 -0.00126 0.00041 0.00058 0.00129 -0.00039 -0.00022 0.00049 0.00019 0.00036 0.00107 -0.00069 0.00065 0.00041 -0.00052 0.00082 0.00058 0.00004 0.00137 0.00114 -0.00081 -0.00066 0.00031 -0.00017 -0.00002 0.00095 0.00041 0.00148 0.00028 0.00135 -0.00132 0.00050 0.00181 -0.00157 0.00025 0.00156 -0.00037 -0.00062 -0.00149 -0.00173 0.00128 0.00103 -0.00188 -0.00286 -0.00090 -0.00188 0.00077 -0.00020 0.00102 0.00000 0.00112 0.00009 0.00125 0.00022 -0.00073 -0.00019 -0.00055 -0.00001 -0.00061 -0.00007 -0.00068 -0.00062 -0.00098 -0.00091 0.00032 -0.00012 0.00066 0.00022 0.00132 -0.00085 0.00006 0.00123 -0.00094 -0.00003 0.00770 0.00693 0.00455 0.00379 -0.01130 -0.01118 -0.00381 -0.00370 0.00084 0.00080 0.00041 0.00037 -0.00004 0.00024 0.00018 0.00046 0.00039 0.00041 0.00007 0.00009 0.00358 0.00174 0.00012 0.00237 0.00054 -0.00108 -0.00008 0.00001 0.00010 -0.00002 -0.00035 0.00039 -0.00002 0.00000 0.00038 0.00006 0.00008 -0.00003 -0.00059 -0.00123 -0.00001 -0.00001 -0.00061 -0.00002 0.00050 0.00000 0.00041 -0.00061 -0.00005 -0.00007 0.00069 0.00062 0.00098 -0.00001 -0.00002 -0.00034 -0.00006 0.00000 0.00003 0.00042 -0.00009 0.00001 0.00005 -0.00072 -0.00006 -0.00000 -0.00001 0.00006 -0.00003 -0.00004 0.00062 -0.00004 0.00001 -0.00009 0.00002 0.00007 0.00092 -0.00002 -0.00002 -0.00009 0.00006 -0.00006 0.00011 -0.00000 -0.00048 -0.00085 0.00018 0.00032 0.00049 0.00054 -0.00005 -0.00022 0.00066 0.00000 0.00054 -0.00076 0.00079 0.00002 -0.00280 0.00099 0.00207 -0.00015 0.00005 -0.00044 0.00029 -0.00001 0.00075 -0.00074 -0.00007 0.00022 0.00015 0.00014 0.00627 0.00050 -0.00035 -0.00013 -0.00013 -0.00032 0.00054 -0.00002 0.00127 -0.00082 -0.00006 -0.00110 0.00004 -0.00003 0.00125 -0.00168 0.00003 0.00062 -0.00064 0.00000 0.00067 0.00040 -0.00001 0.00139 -0.00085 -0.00120 -0.00061 0.00010 -0.00119 -0.00049 0.00064 0.00045 -0.00027 0.00028 0.00018 -0.00058 -0.00030 0.00020 -0.00008 -0.00116 -0.00045 0.00032 0.00076 0.00061 0.00029 0.00046 -0.00050 0.00068 0.00048 0.00003 -0.00020 -0.00019 0.00032 0.00009 0.00042 -0.00028 0.00025 -0.00032 -0.00170 -0.00013 -0.00033 0.00086 -0.00026 0.00058 -0.00032 0.00014 -0.00035 -0.00136 -0.00076 -0.00087 -0.00144 -0.00084 -0.00095 -0.00143 -0.00084 -0.00095 0.00224 0.00123 -0.00130 0.00281 0.00180 -0.00074 0.00229 0.00127 -0.00126 0.00041 0.00058 0.00129 -0.00039 -0.00022 0.00049 0.00019 0.00036 0.00107 -0.00069 0.00065 0.00041 -0.00052 0.00082 0.00058 0.00004 0.00137 0.00114 -0.00081 -0.00066 0.00031 -0.00017 -0.00002 0.00095 0.00041 0.00148 0.00028 0.00135 -0.00132 0.00050 0.00181 -0.00157 0.00025 0.00156 -0.00037 -0.00062 -0.00149 -0.00173 0.00127 0.00103 -0.00188 -0.00286 -0.00090 -0.00188 0.00077 -0.00020 0.00102 0.00000 0.00112 0.00009 0.00124 0.00022 -0.00073 -0.00019 -0.00055 -0.00001 -0.00061 -0.00007 -0.00068 -0.00062 -0.00098 -0.00091 0.00032 -0.00012 0.00066 0.00022 0.00132 -0.00085 0.00006 0.00123 -0.00094 -0.00003 0.00770 0.00693 0.00455 0.00378 -0.01130 -0.01118 -0.00381 -0.00369 0.00084 0.00080 0.00041 0.00037 -0.00004 0.00024 0.00018 0.00046 0.00039 0.00041 0.00007 0.00009 0.00358 0.00174 0.00012 0.00237 0.00054 -0.00108 2.70764 2.69304 2.72341 2.69447 3.32176 3.34272 1.86197 1.86073 3.39824 1.86265 1.86421 1.83377 3.54354 3.34635 1.83628 1.82464 3.47494 1.85699 3.38141 1.82569 3.53457 3.50888 1.85839 1.85306 3.31342 3.40568 3.46921 1.82349 1.86536 3.41864 3.31767 1.85128 1.85488 3.51151 3.44093 1.83387 1.85093 3.53217 1.85438 1.85297 1.82384 1.85083 1.84919 1.84716 3.43079 1.83420 1.84915 1.84509 1.83348 1.85042 3.34192 1.86672 1.87553 1.87066 1.91632 1.86617 1.97593 1.95442 2.15401 2.16458 1.99076 1.38409 1.79144 1.87522 1.79071 1.55221 1.76109 1.83113 1.61614 1.96068 1.71573 1.83210 2.23924 1.59637 2.12418 1.83608 1.83237 1.56105 1.55802 2.00153 1.93864 2.31940 1.84334 1.77739 1.75074 1.83491 1.93064 1.81432 1.64771 1.76599 1.81110 1.71626 1.99673 1.79946 1.84636 1.66391 1.83450 1.91271 1.70566 1.83495 1.79518 1.83901 1.82209 1.62023 1.59162 1.79946 1.92053 1.77065 1.80583 2.36198 1.45714 2.05785 1.69602 1.85812 1.68008 3.00636 3.23486 2.96015 3.09898 3.08993 3.07865 3.08081 2.98095 3.11300 2.92169 3.11953 2.97518 2.91907 3.04626 2.97857 2.84872 2.89798 3.06592 3.02421 3.28864 3.24301 3.22443 3.10342 3.09667 3.26836 3.13304 3.20786 3.29563 3.13688 3.14092 3.03448 3.11128 3.08763 3.08212 3.21920 3.19857 3.06179 3.21447 1.39612 -0.35269 -2.69538 -0.69983 -2.44863 1.49186 -2.81124 1.72315 -0.61955 1.35837 -0.36245 -2.51767 -0.78960 -2.51043 1.61754 -2.53267 2.02969 -0.12553 -1.87455 2.41310 0.09189 0.30972 -1.68581 2.27616 2.16393 0.16840 -2.15281 -2.45502 -0.10004 1.77551 -0.04574 2.30923 -2.09840 1.38152 -2.54669 -0.67114 -1.29937 0.53057 2.40200 0.46247 2.29241 -2.11934 -0.58629 -2.52611 1.19052 -0.74930 1.64512 0.27551 -1.39999 -0.19210 -1.56171 3.04598 -0.45586 1.36227 -2.05755 -0.23942 1.97076 -2.49429 2.92798 1.07809 -0.96659 -2.81648 0.76008 -1.08981 1.66066 -0.19063 -0.16788 -2.01917 -3.13159 1.30031 -1.18824 0.42591 0.61924 2.23338 -2.63506 -1.02092 2.43242 0.56520 0.62453 -1.24269 -0.00608 -1.90601 1.83025 -0.06968 -0.23965 2.92893 1.21712 -2.11923 1.04935 -0.66246 1.08559 2.82786 -0.87379 0.86848 -1.31750 3.06993 0.70979 -1.18596 -0.58419 1.30059 1.09101 2.97580 2.43969 0.55495 0.67405 -1.21069 -1.98347 -0.18405 -0.21143 1.58799 2.82975 -1.83946 -0.21038 -1.56198 0.05200 1.68108 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000024 0.000006 0.024737 0.002307 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.463759e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 611 A 592 A 592 916 611 91 91 2090.3202940018 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0582732417 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 1.432863 0.000000 1.425086 2.304208 0.000000 1.441118 2.313045 2.302952 0.000000 1.425863 2.338784 2.380195 2.376570 0.000000 3.997869 3.655523 4.985122 4.979032 3.129967 0.000000 2.808281 3.403135 3.108657 4.031559 1.757983 2.935278 0.000000 3.754729 2.907892 5.051705 4.021092 3.772332 3.027126 4.802727 0.000000 3.619703 3.007737 4.933264 4.075246 3.276094 2.146804 4.119248 0.986455 0.000000 3.722173 5.009269 3.924348 2.827052 3.920161 6.881217 5.222228 6.464475 6.310661 0.000000 2.872856 4.095495 3.169490 1.877617 3.303245 6.266792 4.753914 5.670808 5.588382 0.971719 0.000000 3.012892 2.000510 4.225819 3.366920 3.313808 3.179101 4.414462 0.970402 1.527257 6.006324 5.144048 0.000000 4.024676 5.357654 3.877143 3.308283 4.307471 7.387236 5.408768 7.140582 6.979477 0.965564 1.536091 6.598389 0.000000 3.725660 3.593706 4.877264 4.487428 2.750355 0.984655 2.975952 2.745294 1.771467 6.220341 5.655380 2.994399 6.809526 0.000000 2.826111 2.945656 3.960128 3.642567 1.768686 1.560490 2.249994 2.883237 2.046794 5.338714 4.760288 2.846096 5.880800 0.982690 0.000000 3.737741 4.264725 3.826463 4.984458 2.737848 3.343566 0.985643 5.607729 4.874185 5.986719 5.595148 5.258952 6.087845 3.552936 3.008198 0.000000 4.212006 4.469678 4.475947 5.492422 3.181464 2.787008 1.548315 5.404958 4.615737 6.731381 6.291553 5.166585 6.913358 3.195675 2.907745 0.966111 0.000000 4.702522 5.382337 5.880657 4.357034 3.867641 4.804038 4.961631 4.706485 4.193218 4.433042 4.359995 4.967839 5.291999 3.830811 3.582603 5.679330 5.871972 0.000000 4.891884 5.453122 6.089558 4.818192 3.861162 4.200759 4.676658 4.558845 3.889818 5.163402 5.031539 4.919369 5.964178 3.245135 3.187049 5.301549 5.358521 0.983446 0.000000 4.164838 4.694769 5.443337 3.719809 3.549124 4.518483 4.876204 3.902884 3.528556 4.284905 4.024855 4.147690 5.182493 3.550906 3.275098 5.697869 5.873016 0.980636 1.564652 0.000000 6.514387 7.223505 7.210575 7.062383 5.097932 4.893985 4.552961 7.032418 6.090843 7.009003 7.055730 7.247847 7.435654 4.472055 4.484910 4.455117 4.395774 4.403199 3.699073 5.102042 0.000000 7.120588 7.921385 7.810485 7.526232 5.734440 5.765206 5.333024 7.702831 6.790520 7.146984 7.313458 7.937569 7.578623 5.260147 5.238382 5.271256 5.297673 4.520837 3.915228 5.340698 0.964955 0.000000 5.863013 6.688631 6.433095 6.448452 4.465033 4.755750 3.855120 6.878982 5.965089 6.300502 6.358730 6.964412 6.646645 4.350023 4.157922 3.748112 3.866135 4.311553 3.746013 4.957073 0.987115 1.550030 0.000000 4.864265 4.174921 5.546301 6.049714 4.310906 1.798072 3.720873 3.888537 3.313762 8.207684 7.510649 3.881495 8.596764 2.770259 3.160606 3.846611 3.099749 6.587180 5.998525 6.245193 6.242111 7.176614 6.080924 0.000000 5.084750 4.184215 5.889304 6.140248 4.691978 2.112986 4.423936 3.394697 2.988138 8.480356 7.730620 3.495668 8.933166 2.955861 3.454154 4.688323 4.003299 6.710311 6.154192 6.262820 6.850625 7.755559 6.748855 0.979655 0.000000 4.306873 3.574795 4.816794 5.582434 3.951457 2.209432 3.353667 3.945634 3.490109 7.813717 7.076926 3.694450 8.123543 3.093701 3.190406 3.519158 2.929500 6.754014 6.276563 6.359562 6.595431 7.523248 6.291362 0.981546 1.543081 0.000000 3.654259 2.849036 3.727192 4.977644 3.848219 3.564623 3.467495 4.423648 4.246174 7.308052 6.500860 3.786425 7.462240 4.195475 3.887836 3.745198 3.576393 7.318538 7.058371 6.826358 7.614653 8.493323 7.110420 2.795214 3.097899 1.820908 0.000000 2.851099 1.894807 3.116763 4.094773 3.239513 3.379501 3.306804 3.701521 3.622183 6.562930 5.712908 2.960328 6.776954 3.819842 3.408334 3.827524 3.783450 6.655231 6.486972 6.089589 7.471536 8.304355 6.957919 3.053090 3.204900 2.184233 0.970440 0.000000 3.552856 3.106637 3.316652 4.947382 3.701072 3.946856 3.071688 5.081946 4.818623 7.011754 6.267167 4.403768 7.057259 4.515680 4.060186 3.228650 3.237586 7.400212 7.169861 6.990618 7.427063 8.285637 6.826748 3.354157 3.851402 2.397293 0.979441 1.527095 0.000000 5.603132 5.947113 6.742390 5.939100 4.362946 3.498042 4.562566 4.813425 3.934130 6.611680 6.410460 5.292119 7.308925 2.757440 3.124011 4.934123 4.700087 2.783863 1.801881 3.191850 2.790434 3.255683 3.169757 5.172202 5.410644 5.670772 6.843784 6.483233 6.995852 0.000000 5.800957 6.297075 6.794178 6.227816 4.452092 3.826434 4.372544 5.542838 4.623552 6.632805 6.521567 5.913178 7.243866 3.200478 3.420854 4.592643 4.407908 3.179450 2.273251 3.747027 1.809246 2.326695 2.259930 5.417181 5.812185 5.871245 7.009287 6.727275 7.036471 0.981327 0.000000 4.913815 5.125706 6.063434 5.403188 3.700283 2.522258 3.862127 4.042375 3.107930 6.443062 6.113261 4.477663 7.108398 1.789100 2.255876 4.280763 3.979328 3.025901 2.130657 3.174699 3.181721 3.838122 3.363872 4.224635 4.463660 4.704422 5.892855 5.546952 6.089333 0.980549 1.557635 0.000000 5.687622 4.541087 6.664819 6.427462 5.573614 3.318255 5.809033 2.838633 2.915872 8.978013 8.163146 3.172801 9.536476 3.793450 4.341497 6.267800 5.691556 7.033051 6.583807 6.410189 8.057168 8.886495 8.030489 2.828069 1.857987 3.178325 4.195710 4.021006 5.103980 6.080431 6.715251 5.205770 0.000000 5.922234 4.641434 6.775904 6.669160 6.009280 4.042008 6.256830 3.314671 3.578929 9.343315 8.478793 3.446284 9.852801 4.560434 4.983656 6.713389 6.178796 7.765723 7.383205 7.086606 8.881402 9.724820 8.792797 3.297911 2.364277 3.430030 4.109019 3.975717 5.073675 6.973876 7.588520 6.077752 0.965139 0.000000 4.979254 3.856297 6.060646 5.586496 4.931802 3.065311 5.429432 1.875473 2.102984 8.140153 7.321450 2.268306 8.735065 3.324164 3.776250 6.018434 5.559526 6.262012 5.902754 5.574582 7.734604 8.519537 7.666060 3.061659 2.213702 3.293458 4.118656 3.725677 4.985701 5.630358 6.316062 4.767746 0.979387 1.544129 0.000000 4.891692 5.925396 5.146732 5.542155 3.640204 4.904820 2.940084 6.849663 6.037597 5.227999 5.293725 6.689215 5.376493 4.571186 4.027957 2.838034 3.375296 4.632382 4.352105 5.106360 2.741614 3.160013 1.755669 6.087428 6.820123 6.017943 6.395502 6.226555 5.924927 4.284460 3.583431 4.193445 8.175170 8.802340 7.750443 0.000000 4.304806 5.442094 4.662546 4.764976 3.110740 4.841953 2.910829 6.378477 5.634640 4.305529 4.396225 6.198172 4.531414 4.357926 3.705239 3.126205 3.735613 3.888750 3.772816 4.334089 3.101285 3.426741 2.190961 6.184338 6.820229 6.076163 6.342557 6.028735 5.924074 4.091424 3.541139 4.011456 8.008856 8.625805 7.480274 0.978566 0.000000 4.420735 5.329131 4.623256 5.292021 3.174971 4.264118 2.105897 6.388992 5.577964 5.434852 5.334959 6.172569 5.561682 4.089131 3.531930 1.870195 2.437180 4.920365 4.578515 5.239427 3.132987 3.763841 2.225544 5.273965 6.053958 5.146655 5.503311 5.411441 5.014096 4.354954 3.748915 4.050652 7.501773 8.082472 7.135620 0.977496 1.545555 0.000000 3.694372 3.938321 2.898715 5.019348 3.754681 4.980910 2.865637 6.328468 5.967395 6.402457 5.827951 5.615706 6.225915 5.354773 4.678143 2.806315 3.283256 7.553654 7.416611 7.301270 7.221351 7.986617 6.444904 4.788609 5.452995 3.949484 2.833455 3.075033 1.869528 7.391612 7.222229 6.616921 6.815021 6.875312 6.594496 5.169275 5.229535 4.316230 0.000000 2.924070 3.324655 1.958900 4.163087 3.227336 4.990574 2.791223 5.938933 5.656387 5.561874 4.950458 5.162906 5.381916 5.214244 4.427549 3.032547 3.635976 7.055115 7.032062 6.747790 7.243164 7.956735 6.439091 5.049000 5.612753 4.207097 2.977437 2.907736 2.148101 7.234462 7.126549 6.481145 6.794773 6.856659 6.443495 5.092060 4.972502 4.331008 0.970636 0.000000 3.647683 4.020428 3.125525 5.006063 3.334179 4.398517 2.091080 6.117136 5.618198 6.247684 5.738920 5.514326 6.145125 4.752675 4.105049 1.857142 2.381228 6.969489 6.752813 6.811101 6.286290 7.064617 5.521556 4.368969 5.133427 3.660537 3.002290 3.236402 2.128656 6.607706 6.370214 5.868203 6.628879 6.821129 6.412503 4.312710 4.465590 3.417337 0.978520 1.526508 0.000000 3.593130 3.745860 4.937161 2.893289 3.602044 4.662139 5.218628 2.892393 2.996654 4.375526 3.796223 2.989024 5.249534 3.853127 3.523519 6.162573 6.332131 2.810380 3.277635 1.835308 6.646177 7.014813 6.409934 6.118641 5.934521 6.085287 6.256271 5.383762 6.562317 4.577057 5.237249 4.244122 5.706598 6.200685 4.757510 6.273469 5.486546 6.191788 7.126702 6.469164 6.856424 0.000000 3.534935 3.342880 4.936021 3.158260 3.539398 4.025260 5.027872 1.933964 2.138994 5.095215 4.419108 2.163725 5.909492 3.309602 3.130679 5.951108 5.994304 3.306006 3.514183 2.355331 6.696507 7.173026 6.504273 5.368680 5.089686 5.377279 5.656075 4.807908 6.079037 4.466314 5.197326 3.977312 4.746022 5.243147 3.792255 6.435204 5.747408 6.224483 6.876518 6.295100 6.616437 0.976429 0.000000 2.793274 3.139403 4.064822 1.935401 3.024479 4.691049 4.746333 3.130865 3.229396 3.615872 2.930706 2.920676 4.431938 3.954369 3.402251 5.720226 6.008554 3.119414 3.641931 2.239493 6.702748 7.097688 6.327159 6.065961 5.973010 5.885424 5.809129 4.907692 6.017183 4.950498 5.479347 4.542930 5.917502 6.328812 4.978121 5.927476 5.109026 5.807767 6.434131 5.708983 6.233188 0.970229 1.528402 0.000000 3.626616 4.858525 4.243912 3.548603 2.749694 5.068587 3.564222 5.681550 5.124422 2.798302 2.923332 5.489305 3.308508 4.352557 3.599511 4.191317 4.791405 2.734801 3.063734 3.041789 4.212191 4.400874 3.538282 6.603926 7.028250 6.455547 6.551043 5.985923 6.274862 4.152155 3.966467 4.098232 7.846645 8.432065 7.139523 2.789846 1.815169 3.153938 5.789571 5.252869 5.227896 4.098395 4.589952 3.678277 0.000000 3.564138 4.886023 4.047315 3.184694 3.059295 5.730334 4.104993 5.960079 5.542630 1.839180 2.118231 5.669844 2.380612 5.021182 4.199866 4.791633 5.472293 3.187291 3.732277 3.336400 5.175442 5.313783 4.483803 7.207316 7.583290 6.964800 6.835853 6.197988 6.537338 5.014571 4.904936 4.934289 8.293878 8.808025 7.529482 3.571649 2.603491 3.901834 5.967656 5.307909 5.542892 4.096587 4.712141 3.536943 0.979162 0.000000 2.036948 3.188009 2.837038 2.497627 0.985327 3.755826 2.194982 4.388559 3.859314 3.263009 2.839861 4.034502 3.700308 3.203181 2.267617 3.065088 3.621933 3.295095 3.405176 3.153254 4.662554 5.173467 3.981402 5.113631 5.520061 4.839238 4.807196 4.218253 4.587170 4.147617 4.139020 3.681740 6.380745 6.877571 5.703916 3.103303 2.387059 2.890967 4.363577 3.810479 3.874420 3.577189 3.753899 3.007723 1.767983 2.125805 0.000000 3.894723 4.953640 4.774271 3.674252 2.994680 4.883769 3.984296 5.259910 4.704680 3.199310 3.258594 5.216822 3.902345 4.043342 3.431936 4.668247 5.114437 1.753024 2.178714 2.156286 4.098997 4.249777 3.628950 6.552685 6.875928 6.519244 6.793580 6.177453 6.652099 3.523040 3.500471 3.573686 7.530491 8.174626 6.788534 3.343595 2.439849 3.704007 6.413951 5.883304 5.836064 3.482662 4.014715 3.271420 0.987837 1.575630 2.118178 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4294,1.8618,-.3844;1.7487,1.4966,-.8076;.5577,2.9583,.5169;-.2696,2.3525,-1.5452;-.2222,.7328,.1934;1.3735,-1.9562,.3326;.0588,.1907,1.842;1.9193,-.897,-2.4501;1.4252,-1.3492,-1.7259;-2.9581,3.1618,-1.2146;-2.0025,3.0484,-1.3494;2.0674,-.0106,-2.0839;-3.036,3.8977,-.5943;.5865,-1.8581,-.2509;.2636,-.944,-.0901;.0878,-.0856,2.7876;.617,-.8938,2.7956;-2.7561,-1.1962,-2.0013;-2.4087,-1.9646,-1.4953;-1.9827,-.8172,-2.4701;-3.1014,-3.0846,1.9614;-4.0498,-3.2093,1.8343;-2.9965,-2.1327,2.2005;2.987,-1.9905,1.1256;3.4771,-2.1517,.2928;3.133,-1.036,1.3017;3.4454,.757,1.3583;2.9871,1.0059,.5399;2.9406,1.2337,2.0492;-1.7551,-3.2971,-.4735;-2.2326,-3.235,.3816;-.8863,-2.872,-.3127;4.1664,-2.2973,-1.4265;4.972,-1.7708,-1.4989;3.4779,-1.7763,-1.8889;-2.7197,-.4385,2.5686;-2.8419,-.0053,1.6997;-1.7612,-.3634,2.7449;1.7013,2.1933,3.0683;1.3303,2.6352,2.2878;1.1353,1.4009,3.1646;-.6479,.1053,-3.3279;.2145,-.3197,-3.1575;-.607,.9188,-2.8007;-2.9643,.6456,.0097;-3.119,1.5276,-.3863;-1.2056,.7675,.143;-2.9724,-.0015,-.7367; 0.2171251 0.1841831 0.1699720 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 592 RedAO= T EigKep= 1.01D-04 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 605 605 605 605 605 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.49568677058 -1471.49568677 1 1.466673206555e+03 -7.683846533356e+03 2.655401418802e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 48. Will process 49 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 14963 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 790000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 4.56D-14 1.00D-09 XBig12= 7.25D+01 1.12D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 4.56D-14 1.00D-09 XBig12= 3.11D+00 1.39D-01. 144 vectors produced by pass 2 Test12= 4.56D-14 1.00D-09 XBig12= 3.54D-02 1.74D-02. 144 vectors produced by pass 3 Test12= 4.56D-14 1.00D-09 XBig12= 1.50D-04 9.40D-04. 144 vectors produced by pass 4 Test12= 4.56D-14 1.00D-09 XBig12= 2.79D-07 3.00D-05. 93 vectors produced by pass 5 Test12= 4.56D-14 1.00D-09 XBig12= 3.65D-10 1.32D-06. 8 vectors produced by pass 6 Test12= 4.56D-14 1.00D-09 XBig12= 3.57D-13 4.07D-08. 3 vectors produced by pass 7 Test12= 4.56D-14 1.00D-09 XBig12= 3.89D-16 2.08D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 824 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 188.33 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 190.521 -0.834 189.096 -0.145 -1.112 185.383 177.319 -1.136 176.967 0.110 -0.894 172.302 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT31541.100S Wed Nov 6 03:32:41 2024 -24.65227 -24.65073 -24.64279 -19.13022 -19.12850 -19.12422 -19.12398 -19.12032 -19.11879 -19.11864 -19.11780 -19.11649 -19.11637 -19.11350 -19.11152 -19.11062 -19.10852 -19.10658 -6.85754 -1.20169 -1.16116 -1.15493 -1.02648 -1.02260 -1.02055 -1.01515 -1.01189 -1.01133 -1.01024 -1.00815 -1.00333 -1.00178 -0.99735 -0.99615 -0.99109 -0.98570 -0.98378 -0.58077 -0.54436 -0.54025 -0.53721 -0.53544 -0.53178 -0.52964 -0.52780 -0.52670 -0.52566 -0.52358 -0.52215 -0.51961 -0.51931 -0.51680 -0.51395 -0.50071 -0.49587 -0.44617 -0.43369 -0.43274 -0.42236 -0.42073 -0.41803 -0.41432 -0.41121 -0.40755 -0.40547 -0.40389 -0.39988 -0.39506 -0.39078 -0.38817 -0.38581 -0.37889 -0.37707 -0.37337 -0.37135 -0.35495 -0.32850 -0.32667 -0.32438 -0.32259 -0.32064 -0.32036 -0.31919 -0.31898 -0.31803 -0.31716 -0.31541 -0.31466 -0.31199 -0.31011 -0.30732 -0.00576 0.01584 0.02276 0.02485 0.04747 0.05563 0.06195 0.06720 0.07420 0.08621 0.09026 0.10162 0.10770 0.10879 0.11008 0.11418 0.11753 0.12936 0.13246 0.13652 0.13980 0.14164 0.14813 0.15094 0.15227 0.15567 0.15625 0.16393 0.16707 0.16946 0.17715 0.17814 0.18032 0.18121 0.18799 0.19195 0.19490 0.19837 0.20349 0.20547 0.20915 0.20939 0.21456 0.21766 0.22023 0.22817 0.23302 0.23402 0.23797 0.23867 0.24269 0.24481 0.25060 0.25491 0.25543 0.25758 0.25930 0.26329 0.26538 0.26929 0.27296 0.27345 0.27639 0.28211 0.28358 0.28604 0.28857 0.28984 0.29276 0.29539 0.29650 0.29779 0.30373 0.30521 0.30774 0.31236 0.31886 0.32474 0.33148 0.33768 0.34651 0.35324 0.35992 0.36447 0.37186 0.37391 0.37975 0.39421 0.39675 0.41842 0.42022 0.43833 0.44855 0.46032 0.46420 0.47148 0.47963 0.48487 0.49207 0.49615 0.50151 0.50584 0.51505 0.51589 0.52193 0.53119 0.53690 0.54316 0.54585 0.54869 0.56224 0.56743 0.57231 0.57896 0.58490 0.58902 0.59396 0.59958 0.60019 0.60632 0.61206 0.61458 0.62080 0.62936 0.63187 0.63914 0.64794 0.65125 0.66333 0.67124 0.67534 0.68129 0.68849 0.68987 0.70092 0.70307 0.71432 0.71512 0.73490 0.77020 0.78501 0.83562 0.94204 0.95399 0.96389 0.96768 0.97402 0.98410 0.98927 0.99501 1.00011 1.00291 1.01002 1.01345 1.01437 1.01919 1.02579 1.03009 1.04034 1.05112 1.05791 1.05965 1.06179 1.06426 1.07366 1.07778 1.07968 1.08331 1.08751 1.09027 1.09806 1.10071 1.10600 1.11249 1.11539 1.11964 1.12663 1.13989 1.14059 1.14469 1.15719 1.16445 1.17182 1.18340 1.19097 1.20628 1.22062 1.23509 1.24651 1.24723 1.25645 1.26227 1.26673 1.27840 1.28789 1.29616 1.30605 1.30714 1.31179 1.31727 1.32348 1.32510 1.33281 1.33983 1.35355 1.35887 1.35921 1.36513 1.37289 1.37831 1.38530 1.38809 1.39308 1.40079 1.40491 1.41092 1.41581 1.43107 1.43183 1.43702 1.44863 1.45020 1.45254 1.46441 1.46815 1.47414 1.48040 1.48338 1.48994 1.49914 1.50547 1.51298 1.51742 1.52506 1.53199 1.53665 1.54493 1.55439 1.56156 1.56661 1.57280 1.57625 1.59476 1.59995 1.61878 1.62748 1.63567 1.64705 1.65180 1.65704 1.65948 1.66972 1.67606 1.69614 1.69948 1.70275 1.70840 1.72140 1.72939 1.74432 1.75003 1.76298 1.76638 1.77071 1.77339 1.79423 1.79878 1.80794 1.81408 1.83381 1.84011 1.84928 1.86173 1.92143 2.01590 2.03451 2.03544 2.04374 2.07471 2.12342 2.13768 2.17006 2.18202 2.19483 2.22604 2.23707 2.25357 2.26727 2.27491 2.28488 2.29998 2.30307 2.31405 2.33822 2.33926 2.34204 2.35871 2.36978 2.39226 2.39670 2.40343 2.42307 2.42963 2.44065 2.44865 2.47387 2.49566 2.52503 2.57238 2.58365 2.59000 2.59650 2.64725 2.66911 2.68029 2.69070 2.69716 2.70391 2.71333 2.72386 2.74714 2.75109 2.76003 2.76562 2.77069 2.77719 2.78510 2.79304 2.80138 2.80894 2.81711 2.83198 2.84360 2.84793 2.86848 2.89853 2.90699 2.97744 3.06988 3.08415 3.08664 3.09135 3.09179 3.09824 3.09996 3.10461 3.11079 3.11600 3.12542 3.12652 3.12923 3.13368 3.13737 3.14298 3.14519 3.14819 3.15365 3.15893 3.16369 3.16481 3.17021 3.17476 3.17609 3.17854 3.19558 3.20869 3.21170 3.22975 3.24678 3.30764 3.31242 3.31360 3.32310 3.33252 3.33612 3.34274 3.34878 3.35616 3.36630 3.36752 3.38293 3.39456 3.41509 3.58299 3.67638 3.68641 3.71007 3.71243 3.71854 3.73184 3.74165 3.75358 3.75529 3.76171 3.77041 3.78357 3.78900 3.80551 3.81950 3.82431 3.83941 3.85286 3.85916 3.86796 3.88364 3.90577 3.90925 3.91750 3.92465 3.92697 3.93727 3.94479 3.94799 3.95048 3.95387 3.95629 3.96145 3.96728 3.96989 3.98097 3.98498 4.02209 4.09745 4.21135 4.23023 4.38207 4.66175 4.66528 5.00876 5.01242 5.01716 5.02844 5.04403 5.04584 5.05025 5.05755 5.06083 5.06795 5.12099 5.15653 5.16771 5.19549 5.21403 5.34985 5.37167 5.38288 5.38774 5.40163 5.41010 5.42269 5.43776 5.44593 5.46480 5.47473 5.47696 5.49784 5.52689 5.54150 5.63539 5.66756 5.67544 5.67648 5.69054 5.69596 5.71857 5.72080 5.72129 5.73271 5.74221 5.74453 5.76586 5.76925 5.82440 6.36672 6.42791 6.43529 6.43757 6.46940 6.49585 6.56714 6.66987 6.71169 14.58737 49.88050 49.88254 49.88838 49.90558 49.92133 49.92869 49.93667 49.93772 49.94212 49.94591 49.94960 49.95667 49.97291 49.98237 50.01628 66.85283 66.87011 66.87688 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 1.066912 -0.489376 -0.455744 -0.449696 -0.956394 0.451924 0.372862 -0.707750 0.387784 -0.647716 0.315072 0.312581 0.313211 -0.888377 0.439090 -0.695737 0.310798 -0.800048 0.404447 0.378823 -0.741075 0.311823 0.404010 -0.807846 0.405034 0.393764 -0.709293 0.299998 0.372871 -0.806953 0.413855 0.387299 -0.721027 0.312898 0.398963 -0.751039 0.387910 0.374105 -0.693200 0.311392 0.369568 -0.690766 0.367300 0.300053 -0.913105 0.437388 0.484413 0.438992 -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 8 10 14 16 18 21 24 27 30 33 36 39 42 45 B F F F O O O O O O O O O O O O O O O 1.066912 -0.489376 -0.455744 -0.449696 -0.471981 -0.007385 -0.019432 0.002638 -0.012076 -0.016777 -0.025242 -0.009047 -0.036424 -0.005800 -0.009166 0.010976 -0.012240 -0.023413 -0.036725 -1.00000 5.57728979e-01 2.01025255e+00 2.06299182e-01 1.90520737e+02 -8.33985985e-01 1.89095726e+02 -1.45468059e-01 -1.11245271e+00 1.85382823e+02 -4.5008 -0.0009 -0.0006 -0.0005 6.6534 11.9560 23.7199 29.1472 33.3731 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 22.7693 29.0806 33.2956 39.4557 40.3998 47.6862 49.4469 53.1845 56.0877 61.6576 63.6211 68.9956 72.8309 74.8189 77.3555 83.4558 93.8271 111.4474 119.4599 125.7855 139.3410 143.9929 147.1903 150.1380 163.7064 165.1037 171.0482 176.4835 181.8075 185.3921 193.5046 197.0008 199.7917 209.5115 213.9529 220.1636 226.9719 228.1633 230.4282 236.6041 242.3311 244.7520 256.7051 268.8714 274.8290 287.8452 350.9351 356.5244 367.0408 371.6067 392.5854 415.5239 426.0563 440.7985 444.3897 446.8534 461.0154 463.3189 473.2234 506.6754 512.4455 521.5087 535.2067 541.9632 547.2105 557.5339 575.8243 581.1478 593.7091 606.3596 609.8654 625.5394 629.3737 650.0242 656.9903 677.8907 696.9269 710.2571 727.3676 738.8406 744.2858 746.8545 750.1413 764.1023 781.2625 805.0578 831.0512 832.8854 852.1668 888.7238 907.0909 927.8362 946.8776 1070.1291 1261.8481 1604.0482 1611.5551 1619.9338 1625.5827 1636.7356 1640.2358 1643.6713 1645.2652 1648.0607 1650.5262 1651.0202 1656.2532 1662.6541 1666.3564 3290.8666 3331.7317 3337.5408 3355.2948 3385.0389 3393.7683 3410.4952 3457.9342 3468.8992 3471.8831 3484.7387 3495.7076 3502.0891 3506.2129 3511.7700 3532.1640 3536.0584 3547.5284 3569.5698 3586.4408 3691.3664 3716.7239 3725.7867 3729.3457 3739.5789 3819.2496 3830.3770 3830.4290 3831.5867 4.6731 5.4865 6.3491 6.8195 6.2860 6.6918 6.4512 6.3187 6.4550 7.0910 8.1276 6.9947 6.9006 6.8657 7.1187 8.3974 7.6559 6.1359 7.1451 6.2098 5.9231 6.5908 7.9329 6.2132 6.9348 6.1939 6.2434 4.7046 2.5549 4.5488 4.9881 5.0826 4.3713 6.6532 6.4279 4.8184 5.2708 3.9721 4.4187 1.3281 4.6125 1.7627 4.6181 1.6265 5.5738 2.0197 2.4327 1.3877 1.1962 3.6357 1.2151 1.0822 1.0715 1.0576 1.0502 1.0659 1.0534 1.1508 1.2543 7.1052 9.1472 2.3746 1.0610 1.1491 1.0500 1.0462 1.0472 1.0477 1.0538 1.0433 1.0504 1.0539 1.0615 1.0397 1.0483 1.0577 1.0567 1.0419 1.0575 5.1481 1.0607 1.0574 1.1235 1.0473 1.0423 1.0410 1.0538 1.0429 1.1741 1.2745 2.3269 8.5521 1.0468 10.7478 1.1676 1.0777 1.0743 1.0735 1.0720 1.0705 1.0716 1.0683 1.0747 1.0732 1.0680 1.0703 1.0749 1.0728 1.0695 1.0647 1.0653 1.0606 1.0694 1.0723 1.0618 1.0633 1.0602 1.0742 1.0576 1.0757 1.0657 1.0688 1.0646 1.0707 1.0639 1.0594 1.0622 1.0791 1.0606 1.0556 1.0668 1.0679 1.0671 1.0663 1.0665 1.0682 1.0665 1.0733 0.0014 0.0027 0.0041 0.0063 0.0060 0.0090 0.0093 0.0105 0.0120 0.0159 0.0194 0.0196 0.0216 0.0226 0.0251 0.0345 0.0397 0.0449 0.0601 0.0579 0.0678 0.0805 0.1013 0.0825 0.1095 0.0995 0.1076 0.0863 0.0498 0.0921 0.1100 0.1162 0.1028 0.1721 0.1734 0.1376 0.1600 0.1218 0.1382 0.0438 0.1596 0.0622 0.1793 0.0693 0.2480 0.0986 0.1765 0.1039 0.0949 0.2958 0.1103 0.1101 0.1146 0.1211 0.1222 0.1254 0.1319 0.1455 0.1655 1.0747 1.4153 0.3805 0.1791 0.1989 0.1852 0.1916 0.2046 0.2085 0.2189 0.2260 0.2302 0.2430 0.2477 0.2588 0.2666 0.2864 0.3024 0.3097 0.3297 1.6558 0.3462 0.3475 0.3725 0.3603 0.3748 0.3975 0.4288 0.4262 0.5024 0.5931 1.1280 4.3378 0.5530 7.2517 1.0954 1.6337 1.6439 1.6598 1.6691 1.6896 1.6986 1.7005 1.7140 1.7174 1.7142 1.7190 1.7374 1.7474 1.7498 6.7933 6.9675 6.9608 7.0933 7.2394 7.2052 7.2868 7.4690 7.6160 7.5111 7.6965 7.6725 7.7233 7.7113 7.7796 7.8207 7.8046 7.8762 8.1008 8.0379 8.4743 8.6831 8.7343 8.7444 8.7855 9.1657 9.2336 9.2196 9.2837 14.1472 6.2092 0.9171 3.7181 4.4600 4.1360 7.3984 5.0083 6.3454 1.8341 3.2420 2.3788 2.1922 0.3245 6.5812 2.1981 3.3958 5.2637 4.0107 2.9285 3.3395 1.4940 20.3064 13.4922 72.0151 20.3753 10.5350 20.2810 200.7710 92.6541 1.1727 42.7658 30.4545 83.3242 74.1771 55.3178 76.7258 111.6802 26.8727 100.4474 92.8880 85.7024 17.9637 67.2022 9.5817 90.3296 34.7961 129.2651 69.7213 25.8484 21.6918 20.4312 19.5730 187.0757 41.0697 76.6009 131.2503 22.4410 263.1523 31.0057 29.9434 13.9514 79.5598 187.6215 64.2950 59.9982 64.6694 84.5297 216.7824 27.2912 93.4769 267.7799 457.1121 430.5531 318.9741 174.1578 272.9681 247.2125 377.1525 144.4185 362.5625 348.7716 248.9223 321.6159 138.3153 230.6570 503.1351 41.7982 68.0576 84.7626 759.8193 618.7962 60.8712 837.9166 199.5991 109.4084 154.1992 255.4790 106.2481 198.0488 29.3879 125.0041 116.2184 117.0632 29.2444 238.4398 149.5001 134.3206 123.6116 766.5930 1131.0327 1397.1881 1437.9491 1728.0804 1016.4994 1136.2947 613.0881 1434.3198 1163.7400 289.6102 1318.0664 1949.4177 602.7727 462.8723 765.8414 295.3691 646.7661 852.2785 299.3932 495.3064 233.4153 637.4461 102.5795 477.8470 131.1247 141.0721 112.0856 177.2774 -0.01 0.02 -0.02 -0.01 0.02 -0.01 -0.01 0.03 -0.03 -0.00 0.01 -0.03 -0.01 0.03 -0.02 -0.10 -0.01 -0.01 0.02 0.03 -0.02 0.03 -0.01 0.01 -0.01 0.00 0.00 0.01 0.05 0.04 0.00 0.03 0.01 0.03 -0.01 0.01 0.04 0.05 0.04 -0.07 0.01 -0.04 -0.06 0.02 -0.04 0.03 0.03 -0.02 0.05 0.04 -0.02 -0.01 0.08 -0.04 -0.05 0.06 -0.05 0.00 0.06 -0.03 0.31 -0.13 0.09 0.28 -0.36 0.54 0.20 -0.10 0.04 -0.14 -0.03 0.08 -0.11 -0.07 0.10 -0.12 -0.03 0.05 -0.06 -0.04 0.01 -0.05 -0.03 0.00 -0.03 0.00 -0.00 -0.06 0.01 -0.11 -0.01 -0.06 -0.08 -0.05 0.00 -0.12 -0.07 -0.10 0.12 -0.04 -0.15 0.14 -0.02 -0.07 0.08 0.05 -0.07 -0.02 0.03 -0.05 -0.01 0.05 -0.02 -0.02 -0.02 0.06 -0.02 -0.01 0.05 -0.03 -0.01 0.06 -0.02 0.04 0.02 -0.03 0.03 0.01 -0.02 0.05 0.02 -0.03 -0.01 0.03 0.01 -0.01 0.04 0.03 -0.01 0.03 -0.00 -0.01 0.05 -0.01 0.02 -0.03 0.02 0.03 -0.04 0.05 0.01 -0.05 0.05 0.06 0.00 0.01 -0.01 -0.04 -0.02 0.03 -0.04 -0.07 -0.08 -0.02 -0.01 -0.02 0.05 -0.04 -0.01 0.01 -0.05 0.04 -0.01 -0.15 0.05 -0.01 -0.08 -0.04 0.04 -0.01 -0.00 0.01 -0.18 0.01 -0.03 -0.05 0.01 -0.03 -0.02 -0.12 -0.00 -0.00 -0.17 -0.04 0.03 -0.05 -0.04 -0.02 -0.04 -0.02 0.01 -0.04 -0.04 -0.01 0.21 0.06 0.19 0.20 -0.18 0.51 0.06 0.09 0.11 0.04 -0.06 -0.10 0.05 0.03 -0.12 0.01 -0.07 -0.02 -0.03 -0.07 0.09 -0.01 -0.05 0.09 -0.04 -0.09 0.09 -0.04 0.03 0.06 0.01 0.04 0.09 -0.02 0.00 0.01 0.08 0.16 -0.11 0.02 0.25 -0.08 0.03 0.12 -0.09 -0.12 0.15 -0.01 -0.09 0.09 -0.04 -0.12 0.14 -0.00 -0.05 -0.08 0.08 -0.01 -0.06 0.08 -0.07 -0.07 0.04 -0.05 0.00 0.01 -0.04 0.01 -0.01 -0.05 -0.01 0.02 -0.01 0.02 -0.08 0.01 0.01 -0.10 -0.01 -0.02 -0.04 -0.03 -0.00 -0.06 0.00 -0.07 -0.06 0.02 -0.06 -0.03 -0.04 -0.05 -0.08 0.02 -0.10 -0.09 0.01 -0.08 -0.06 -0.02 -0.06 -0.06 0.07 -0.12 -0.07 0.04 -0.04 -0.04 0.04 -0.07 -0.07 0.12 0.11 0.19 0.09 0.03 0.07 -0.02 -0.03 -0.03 0.26 0.10 0.22 -0.01 -0.09 -0.08 -0.02 -0.09 -0.10 0.08 -0.12 -0.07 0.11 -0.10 -0.07 -0.04 0.09 0.06 -0.07 0.07 0.05 -0.03 0.04 0.03 -0.07 0.03 0.03 -0.07 0.09 0.01 -0.02 0.02 0.04 -0.05 0.03 0.01 0.01 0.09 0.03 -0.09 0.03 0.06 -0.06 0.04 0.07 -0.04 0.01 0.04 -0.09 0.05 0.04 -0.10 0.03 0.01 -0.08 0.03 0.02 -0.07 -0.03 -0.01 0.17 0.24 0.09 0.08 0.39 0.18 0.11 0.14 0.05 0.07 0.00 0.06 0.05 0.02 0.07 0.09 -0.05 0.01 -0.16 0.04 -0.01 -0.15 -0.01 -0.05 -0.09 -0.01 -0.03 0.01 -0.08 -0.06 0.00 -0.09 -0.06 0.03 -0.07 -0.08 -0.01 0.06 0.09 0.04 0.08 0.12 0.01 -0.03 0.01 -0.02 0.08 0.06 -0.10 -0.03 0.00 -0.08 0.04 -0.00 -0.15 -0.05 0.04 -0.12 -0.03 0.02 -0.06 -0.07 -0.03 0.07 -0.01 -0.03 -0.06 -0.04 -0.03 0.16 -0.00 0.01 0.13 0.01 -0.00 -0.07 0.06 0.23 -0.08 0.06 0.16 0.15 0.00 -0.01 -0.02 -0.03 0.35 0.09 -0.01 -0.05 0.05 -0.02 -0.04 -0.06 -0.02 -0.02 -0.11 -0.06 -0.01 0.12 0.02 -0.10 0.09 0.04 -0.05 0.14 0.01 -0.07 0.05 0.16 0.07 0.06 0.08 0.12 -0.01 0.17 0.07 0.07 -0.02 -0.01 0.07 -0.07 0.00 0.06 -0.01 -0.06 0.01 -0.01 -0.10 -0.01 -0.01 -0.09 0.01 -0.03 -0.08 0.02 0.09 0.05 0.03 0.14 0.06 0.04 0.04 0.03 0.06 -0.17 0.00 0.11 -0.26 -0.02 0.11 -0.10 0.00 -0.09 0.19 0.05 -0.07 0.10 -0.00 -0.08 0.15 0.03 0.02 -0.09 -0.05 -0.01 -0.06 -0.02 0.01 -0.08 -0.04 0.17 0.00 -0.06 0.17 0.02 -0.03 0.14 0.01 -0.06 -0.06 -0.06 -0.05 -0.05 -0.04 0.01 -0.06 -0.09 -0.02 -0.01 -0.02 -0.08 0.02 -0.05 -0.01 0.00 -0.09 -0.02 0.06 -0.01 -0.06 -0.00 -0.09 -0.01 0.01 -0.01 0.06 0.09 -0.02 0.12 -0.10 0.12 0.12 -0.14 -0.11 0.03 -0.09 -0.08 0.08 0.08 0.10 0.22 0.06 0.06 0.14 -0.11 -0.10 0.00 0.17 0.02 0.33 0.04 -0.02 0.19 0.06 -0.01 0.18 -0.14 0.17 0.14 -0.15 0.17 0.19 -0.06 0.01 -0.11 -0.03 0.03 -0.09 -0.08 0.02 -0.13 0.06 -0.07 -0.07 0.06 -0.16 0.06 -0.00 -0.06 -0.07 0.16 0.02 -0.01 0.11 0.05 -0.04 0.11 0.02 0.00 0.01 0.04 0.02 0.01 0.01 0.01 -0.00 0.04 0.01 0.01 0.06 -0.10 -0.01 0.00 -0.10 0.01 0.03 -0.03 0.00 0.05 -0.08 -0.05 0.12 -0.16 -0.08 -0.02 -0.05 -0.12 -0.05 -0.07 -0.08 -0.05 -0.08 -0.14 0.04 0.02 0.02 0.09 -0.02 0.04 0.06 -0.05 -0.03 0.13 0.04 -0.03 -0.02 -0.07 -0.06 -0.07 -0.02 -0.02 -0.03 -0.06 0.03 -0.03 -0.06 0.03 -0.00 0.00 0.01 -0.04 -0.00 -0.00 0.01 -0.09 -0.02 -0.05 0.01 -0.03 -0.11 0.02 0.02 -0.07 0.03 0.02 -0.01 0.00 -0.08 -0.03 -0.02 0.05 0.11 0.04 -0.06 -0.11 -0.04 -0.03 -0.09 -0.03 -0.01 -0.06 -0.00 0.05 0.09 -0.11 0.05 0.03 -0.07 0.01 -0.08 -0.06 0.06 0.14 -0.18 0.04 0.00 0.04 -0.03 -0.01 -0.02 -0.04 -0.15 -0.05 -0.08 -0.17 -0.10 -0.00 0.10 0.08 0.00 0.09 0.07 -0.01 0.08 0.06 0.06 -0.07 0.02 0.06 -0.16 0.09 -0.01 -0.06 -0.01 0.07 0.26 0.03 0.04 0.16 0.04 0.13 0.27 -0.04 0.18 0.26 -0.04 0.15 0.22 -0.03 0.09 0.14 -0.02 0.01 0.04 -0.00 0.02 -0.01 0.01 0.02 0.00 0.02 -0.05 -0.10 0.02 -0.01 -0.18 -0.11 -0.04 -0.11 -0.01 -0.06 -0.05 -0.03 -0.07 0.01 0.00 -0.06 -0.07 -0.04 -0.04 -0.16 0.03 -0.07 -0.13 0.07 -0.00 -0.20 -0.02 0.00 0.01 -0.00 -0.02 -0.02 -0.00 0.03 0.02 -0.01 -0.10 0.13 0.03 -0.05 0.13 -0.00 -0.08 0.04 0.02 -0.07 0.12 0.03 -0.05 -0.06 0.05 -0.05 -0.06 0.03 -0.04 -0.08 0.07 -0.05 -0.04 0.06 -0.05 -0.07 0.03 -0.04 -0.06 0.07 0.07 0.01 0.03 -0.05 -0.05 0.07 -0.05 -0.07 0.05 -0.09 -0.11 -0.12 -0.08 -0.08 -0.05 -0.08 -0.05 0.09 -0.17 -0.06 -0.19 -0.04 -0.08 0.07 -0.04 -0.08 0.06 0.14 0.04 0.03 0.12 0.03 0.02 -0.07 0.07 -0.14 -0.08 0.06 -0.15 -0.06 0.08 -0.12 0.03 0.10 -0.07 -0.00 0.09 0.13 0.07 0.08 -0.02 -0.03 0.02 0.07 -0.02 0.01 0.08 -0.01 0.02 0.06 0.13 0.01 -0.07 0.09 -0.02 -0.06 0.16 0.03 -0.06 -0.13 0.07 -0.14 -0.13 0.07 -0.14 -0.10 -0.01 -0.10 0.08 0.17 0.11 -0.01 0.32 0.20 0.01 0.09 0.11 0.11 0.07 0.02 0.09 0.04 0.01 0.11 0.07 0.02 0.21 -0.02 -0.02 0.17 0.00 0.02 0.20 -0.01 -0.00 0.02 0.04 -0.04 -0.01 0.00 0.00 0.02 0.03 -0.02 -0.05 -0.05 -0.02 -0.05 -0.05 -0.01 -0.05 -0.07 0.02 -0.04 -0.03 -0.04 -0.04 -0.06 0.03 -0.03 -0.07 0.08 -0.08 -0.01 -0.03 -0.02 -0.13 -0.01 -0.03 -0.04 0.08 0.07 -0.01 -0.03 0.04 -0.01 0.09 0.00 -0.01 -0.04 0.00 0.02 -0.02 -0.02 -0.07 -0.16 -0.02 -0.12 -0.14 0.04 -0.01 -0.07 -0.00 0.06 -0.32 0.06 0.01 -0.01 0.04 -0.01 0.04 0.05 0.02 0.10 0.09 0.05 0.13 0.06 0.17 0.07 0.06 0.13 0.01 0.05 0.14 0.02 0.05 0.07 -0.11 0.05 0.11 -0.14 0.07 0.05 -0.02 0.10 -0.06 -0.07 0.07 -0.01 -0.09 0.06 -0.07 -0.01 -0.09 -0.03 0.12 -0.09 -0.05 0.11 -0.08 -0.00 0.10 0.05 0.06 -0.09 0.06 0.06 -0.09 0.07 0.02 -0.08 -0.04 -0.11 -0.13 0.00 -0.19 -0.23 -0.03 -0.07 -0.11 0.06 0.02 0.13 0.04 0.06 0.15 0.06 0.02 0.12 -0.11 0.15 0.02 -0.09 0.07 -0.03 -0.07 0.13 0.06 0.06 0.02 -0.11 0.04 -0.01 -0.09 0.08 0.02 -0.11 -0.05 0.06 0.14 -0.02 0.05 0.12 -0.03 -0.01 0.13 0.01 0.07 0.13 -0.04 0.02 -0.01 -0.06 -0.02 -0.04 0.01 0.04 -0.04 -0.06 0.01 -0.01 -0.05 0.05 0.03 0.00 0.01 0.02 -0.12 0.06 0.04 0.10 -0.05 0.05 0.07 -0.02 0.05 -0.06 0.07 -0.10 -0.06 0.03 -0.08 0.08 -0.03 0.01 -0.05 0.15 -0.19 -0.00 0.04 0.03 0.00 0.04 0.04 -0.13 0.07 0.04 -0.14 0.06 0.05 0.06 0.13 0.15 0.03 0.10 0.12 0.07 0.08 0.13 -0.04 -0.14 0.02 -0.03 -0.16 -0.06 -0.07 -0.14 -0.00 0.01 -0.12 -0.03 0.04 -0.11 -0.02 0.01 -0.12 -0.03 0.01 -0.14 -0.13 -0.01 -0.15 -0.12 0.03 -0.12 -0.12 0.02 0.02 0.03 0.02 -0.04 0.04 0.01 0.03 0.05 0.21 0.10 0.02 0.11 0.28 0.17 0.14 0.04 0.04 -0.11 -0.13 -0.00 -0.12 -0.05 0.04 -0.12 -0.07 0.02 0.12 -0.07 -0.12 0.10 -0.04 -0.09 0.04 -0.01 -0.06 0.09 -0.02 0.03 0.08 -0.03 0.04 0.11 0.00 0.00 -0.07 0.14 0.09 -0.07 0.13 0.07 -0.05 0.09 0.06 -0.02 0.13 0.10 0.01 -0.04 -0.00 -0.04 -0.14 -0.07 0.15 -0.04 -0.02 -0.02 0.00 0.03 -0.04 0.02 0.04 -0.01 0.07 -0.07 -0.06 0.02 0.03 -0.00 -0.05 -0.17 0.00 0.02 -0.12 -0.03 0.01 0.07 -0.03 0.01 0.07 0.02 -0.03 -0.24 -0.03 -0.03 0.11 0.04 0.09 -0.13 -0.01 0.07 -0.08 -0.07 0.04 0.04 -0.11 0.01 0.06 0.00 -0.07 0.11 0.06 -0.09 0.04 -0.04 -0.03 0.08 0.14 0.15 -0.19 0.15 0.11 -0.28 0.07 0.13 -0.11 -0.11 0.00 0.10 -0.08 -0.01 0.12 -0.09 0.00 0.08 -0.02 -0.02 -0.03 -0.04 -0.04 -0.02 -0.01 -0.01 -0.02 0.21 -0.14 -0.10 0.21 -0.04 -0.11 0.17 -0.03 -0.15 -0.01 0.06 0.15 -0.04 0.10 0.21 0.01 0.00 0.05 -0.08 0.14 0.08 -0.07 0.12 0.07 -0.08 0.13 0.08 0.03 -0.05 0.03 0.05 -0.03 0.03 0.00 -0.02 0.02 -0.11 0.01 0.04 -0.09 0.00 -0.04 -0.07 -0.00 0.05 -0.04 0.00 0.04 -0.04 -0.01 0.01 -0.04 0.04 0.03 -0.03 -0.03 0.07 0.08 0.03 -0.04 0.02 -0.03 -0.20 0.25 0.03 -0.06 -0.05 0.04 0.05 0.10 0.06 0.06 0.01 0.01 0.02 -0.00 -0.07 0.05 -0.02 -0.12 -0.05 -0.02 -0.07 -0.03 -0.16 -0.19 -0.01 -0.15 -0.09 0.01 0.02 -0.11 -0.09 -0.26 -0.13 -0.10 0.00 0.03 0.03 0.06 0.05 0.02 -0.06 -0.13 0.03 -0.06 -0.13 0.02 0.04 0.10 -0.12 0.02 0.10 -0.09 0.05 0.10 -0.09 -0.03 -0.01 0.09 -0.04 -0.05 0.16 -0.05 -0.01 0.11 0.01 0.04 0.02 0.02 0.03 0.03 -0.04 0.05 -0.02 -0.14 0.05 -0.06 -0.14 0.06 -0.05 -0.15 0.01 -0.04 -0.08 0.18 0.03 -0.08 0.13 0.03 -0.06 0.12 0.05 0.04 0.01 0.04 0.00 0.06 0.02 0.01 -0.06 0.01 -0.05 -0.02 0.11 -0.02 -0.06 0.09 -0.04 -0.06 0.10 -0.14 -0.06 0.08 -0.12 -0.08 0.06 -0.11 -0.08 0.07 0.08 0.12 -0.07 0.05 0.06 -0.05 0.09 0.10 -0.05 0.14 -0.11 0.07 0.03 -0.11 0.12 0.10 0.02 0.03 0.11 -0.06 0.03 -0.00 -0.04 0.03 -0.02 -0.13 0.05 0.07 -0.03 0.01 0.03 -0.02 0.02 -0.07 0.01 0.06 -0.14 0.05 -0.10 -0.02 0.07 0.04 -0.05 -0.01 -0.05 -0.10 0.00 -0.08 0.03 -0.02 0.05 0.03 -0.03 0.05 -0.01 -0.02 -0.02 0.05 -0.05 0.10 -0.16 0.03 -0.09 -0.17 0.02 -0.07 0.01 0.11 0.05 0.02 0.11 0.07 0.30 -0.02 -0.02 0.22 -0.04 -0.01 0.32 -0.02 0.01 -0.08 -0.05 0.11 -0.09 -0.01 0.11 -0.04 -0.04 0.07 -0.17 0.09 -0.12 -0.13 0.09 -0.09 -0.10 0.06 -0.06 0.06 0.05 0.04 0.05 0.05 0.04 0.07 0.05 0.04 -0.04 -0.15 0.11 -0.06 -0.10 0.09 -0.06 -0.10 0.09 -0.05 0.07 -0.06 -0.09 0.12 -0.04 -0.08 0.03 -0.07 0.01 -0.03 -0.02 0.00 -0.05 -0.02 0.00 0.01 0.00 0.07 0.07 0.04 0.09 0.07 0.02 0.05 0.08 0.03 0.14 0.10 -0.17 0.14 0.10 -0.16 0.13 0.09 -0.14 -0.08 -0.05 -0.03 -0.05 -0.05 -0.03 -0.07 0.04 0.04 0.07 -0.03 -0.05 0.01 -0.02 0.02 0.03 -0.06 0.11 -0.02 0.04 -0.04 0.07 -0.09 -0.04 -0.02 0.02 0.07 0.00 0.10 -0.13 -0.07 0.03 0.05 0.13 0.12 -0.14 0.10 0.16 -0.13 0.06 -0.14 0.03 0.05 -0.16 -0.02 0.12 0.14 -0.18 0.10 -0.10 -0.01 0.06 0.16 -0.18 0.04 0.14 -0.11 -0.07 0.05 0.06 -0.06 0.05 0.08 -0.16 0.00 -0.10 -0.14 0.05 -0.04 -0.16 -0.01 -0.09 -0.07 -0.08 0.06 -0.05 -0.03 -0.13 -0.07 -0.09 0.08 -0.06 0.02 0.03 -0.04 0.00 0.04 0.01 0.00 0.05 0.17 0.00 0.06 0.20 -0.03 0.03 0.12 0.01 0.02 -0.02 0.23 0.05 0.02 0.16 0.08 -0.02 0.24 0.01 -0.03 -0.02 0.06 0.04 -0.12 0.09 0.06 0.05 0.00 -0.07 -0.09 0.06 -0.06 -0.11 0.05 -0.07 -0.05 0.07 0.07 0.00 -0.10 0.06 0.00 -0.10 0.03 0.04 -0.05 -0.05 -0.05 -0.02 -0.03 -0.03 -0.09 -0.04 -0.07 -0.00 -0.01 -0.10 0.04 -0.01 -0.09 0.07 -0.02 -0.01 0.02 -0.06 -0.07 0.01 -0.00 -0.01 0.03 -0.03 -0.07 -0.01 0.08 -0.03 0.06 -0.01 0.05 0.07 -0.04 0.01 0.02 -0.05 0.03 -0.12 0.02 0.09 0.01 0.19 -0.14 -0.02 0.12 -0.08 -0.02 -0.04 0.02 0.00 -0.03 0.04 0.04 0.20 -0.13 -0.06 -0.08 -0.00 0.03 -0.06 0.02 -0.10 -0.06 0.02 -0.09 0.04 0.12 0.02 0.07 0.14 0.05 -0.15 -0.04 -0.03 -0.18 -0.04 -0.02 -0.10 -0.05 0.03 -0.03 -0.00 -0.02 -0.03 0.03 0.01 0.02 -0.01 -0.03 -0.03 0.09 -0.18 0.05 0.06 -0.12 -0.03 0.08 -0.16 -0.09 0.09 0.01 -0.14 0.12 0.05 -0.03 0.07 0.06 -0.09 -0.01 -0.05 -0.07 -0.01 -0.04 -0.09 0.00 -0.08 0.21 -0.13 -0.08 0.19 -0.11 -0.09 0.18 -0.15 -0.07 0.05 -0.01 -0.05 0.04 -0.01 -0.05 0.05 0.03 -0.04 -0.00 0.13 0.15 0.05 0.12 0.13 0.00 0.11 0.10 0.04 -0.10 0.22 0.05 -0.09 0.15 0.06 -0.10 0.21 -0.05 0.00 -0.04 -0.05 0.00 -0.04 -0.04 0.02 -0.01 -0.09 -0.01 -0.03 -0.05 -0.04 0.01 -0.08 -0.10 -0.03 0.04 -0.07 0.04 -0.06 0.02 0.05 -0.08 -0.02 0.01 0.12 0.04 0.02 0.09 0.01 -0.02 -0.04 -0.03 -0.15 0.01 0.02 -0.08 -0.03 0.14 -0.04 -0.03 0.13 0.01 -0.00 -0.02 -0.20 -0.06 0.09 0.01 0.15 0.07 -0.01 0.12 0.05 0.02 0.15 -0.00 -0.02 0.19 0.03 -0.06 0.00 -0.04 -0.05 0.06 0.04 0.04 -0.02 -0.00 -0.06 -0.06 -0.08 0.11 -0.04 0.05 -0.18 0.01 -0.06 0.02 0.09 -0.10 0.12 0.05 -0.06 0.09 0.03 -0.09 0.12 -0.13 -0.08 0.02 -0.19 -0.11 0.04 -0.05 -0.03 0.04 0.11 0.17 0.15 0.11 0.10 0.16 0.11 0.16 0.15 -0.04 0.02 0.07 -0.03 0.01 0.05 -0.02 -0.02 0.01 0.14 -0.06 -0.17 0.12 -0.04 -0.15 0.14 -0.05 -0.15 0.02 0.06 0.10 0.04 0.05 0.08 0.04 0.04 0.07 -0.06 0.07 -0.05 -0.06 0.05 -0.07 -0.05 0.05 -0.02 -0.10 0.06 -0.14 -0.06 0.07 -0.14 -0.08 -0.02 -0.03 -0.07 0.06 -0.14 -0.03 0.03 0.08 -0.05 -0.03 0.06 0.04 0.17 -0.10 -0.10 -0.15 0.05 -0.01 0.14 0.30 -0.07 0.09 0.01 0.10 -0.17 0.17 0.02 0.00 0.07 -0.02 0.06 0.08 -0.01 0.13 -0.03 -0.01 0.09 0.00 0.02 0.02 0.01 -0.00 0.06 0.05 -0.09 0.14 0.04 -0.06 0.15 0.09 0.12 -0.29 0.14 0.11 -0.29 0.04 -0.02 -0.08 -0.07 -0.03 -0.07 -0.04 -0.01 -0.12 -0.07 0.05 0.05 -0.01 0.05 0.00 0.09 0.03 0.07 -0.05 -0.07 -0.00 -0.07 -0.05 -0.01 -0.06 -0.02 -0.02 -0.05 0.05 -0.02 -0.02 0.07 -0.03 -0.04 0.00 -0.02 -0.05 0.03 -0.02 -0.01 0.01 -0.01 -0.02 -0.01 0.06 -0.01 0.02 0.03 -0.05 -0.02 0.10 0.01 -0.01 0.02 -0.01 0.05 0.07 -0.10 0.11 0.07 -0.10 0.05 -0.03 -0.05 -0.08 -0.06 -0.11 -0.16 -0.13 -0.11 0.00 -0.10 -0.01 0.03 -0.13 0.00 0.04 -0.11 -0.00 -0.00 -0.15 0.03 0.04 0.04 -0.14 0.03 0.03 -0.14 -0.00 0.06 0.16 0.05 0.02 -0.12 0.01 -0.08 0.04 0.03 0.09 -0.08 -0.04 -0.08 0.06 -0.13 -0.14 0.10 0.17 -0.15 0.07 0.01 -0.14 -0.13 0.05 -0.03 0.14 0.05 0.13 -0.08 0.05 0.06 -0.12 -0.03 0.14 -0.10 -0.02 0.13 -0.02 -0.01 0.12 -0.02 -0.08 0.16 -0.13 0.04 -0.12 -0.16 0.04 -0.13 -0.09 -0.05 0.07 0.17 -0.08 0.05 0.31 0.00 0.02 0.05 -0.03 0.00 0.04 0.00 -0.04 0.00 -0.04 -0.04 0.03 -0.04 -0.06 0.02 -0.05 -0.03 -0.01 -0.05 0.06 0.03 -0.03 0.04 0.04 -0.09 0.08 -0.03 -0.04 0.08 -0.10 -0.06 0.10 -0.08 -0.02 0.07 -0.07 -0.06 -0.05 0.01 -0.03 -0.04 0.02 -0.04 -0.09 -0.03 -0.07 -0.01 0.06 0.02 -0.14 0.04 0.02 0.07 0.01 -0.06 -0.02 -0.06 0.01 0.01 -0.06 -0.08 0.01 0.03 0.06 0.03 0.04 0.02 0.02 0.05 0.04 0.05 0.10 -0.03 -0.03 -0.05 -0.00 0.01 -0.08 -0.07 -0.06 -0.02 0.28 0.10 -0.03 0.19 0.09 -0.02 0.16 -0.17 0.07 0.16 0.08 -0.02 -0.02 0.04 -0.03 -0.01 0.03 -0.01 -0.03 0.03 -0.04 0.01 -0.03 -0.07 -0.02 0.04 -0.00 -0.02 0.07 0.04 -0.01 0.08 -0.00 0.01 0.07 0.07 -0.00 0.08 0.07 0.10 -0.02 -0.00 0.08 -0.09 -0.05 -0.04 0.09 0.05 0.18 0.02 -0.03 -0.02 0.08 0.04 -0.02 0.09 0.04 0.01 0.06 -0.01 -0.01 0.04 -0.05 -0.03 -0.00 0.01 -0.03 -0.00 0.01 -0.04 -0.07 -0.06 0.01 0.00 -0.02 0.02 0.05 -0.10 0.04 -0.01 0.01 -0.03 0.04 -0.01 -0.04 0.01 -0.01 -0.05 0.06 -0.06 -0.15 0.01 -0.12 -0.29 0.08 -0.03 -0.04 -0.06 0.01 0.04 0.05 -0.00 0.03 0.03 -0.00 0.02 0.09 -0.00 -0.05 0.03 -0.02 -0.04 0.01 -0.00 -0.04 0.07 0.01 0.04 -0.02 0.05 0.02 -0.02 0.06 0.04 0.01 0.03 0.14 -0.19 0.31 0.15 0.03 0.43 0.07 -0.16 0.15 0.04 -0.23 -0.17 0.05 -0.18 -0.10 -0.00 -0.19 -0.22 -0.03 -0.01 0.03 0.00 -0.01 0.03 -0.02 0.03 0.00 -0.01 0.00 0.02 0.02 -0.05 -0.05 -0.02 -0.17 -0.11 0.21 -0.07 -0.07 -0.02 -0.00 0.00 -0.04 -0.00 -0.02 0.01 -0.04 0.03 -0.01 0.01 -0.04 0.14 0.36 0.17 0.12 0.18 0.04 -0.17 0.02 0.04 -0.16 0.06 0.03 -0.10 0.35 0.31 -0.19 -0.00 0.06 0.02 -0.06 0.01 -0.01 -0.08 0.02 0.01 0.01 -0.04 0.02 0.02 -0.05 -0.02 0.02 0.03 -0.05 0.00 0.03 0.00 -0.02 0.03 -0.00 0.01 -0.01 -0.01 -0.02 0.10 -0.00 0.02 -0.02 0.08 -0.03 0.04 0.02 0.01 -0.00 0.07 -0.04 0.06 0.05 0.00 0.08 0.09 -0.04 0.05 0.01 0.02 0.04 -0.07 -0.03 -0.03 -0.06 -0.02 -0.02 -0.05 -0.07 -0.02 -0.13 0.02 -0.04 0.05 -0.25 -0.10 0.00 0.27 0.03 0.01 0.01 -0.04 -0.01 0.02 -0.03 0.01 0.01 -0.05 -0.03 0.03 -0.00 0.02 -0.00 -0.05 -0.02 0.02 -0.02 0.05 -0.10 0.02 0.10 0.01 0.05 -0.03 -0.06 -0.04 -0.10 0.03 0.01 -0.11 0.03 0.01 -0.04 0.03 -0.02 -0.07 0.03 0.01 0.02 0.03 -0.03 0.03 0.07 -0.00 -0.03 0.04 -0.03 -0.04 -0.01 -0.02 0.04 0.01 -0.03 -0.01 0.03 -0.02 -0.01 0.08 -0.09 -0.05 -0.14 -0.07 -0.04 -0.08 -0.03 -0.29 0.04 0.05 -0.29 0.13 0.01 0.01 -0.13 -0.11 -0.34 -0.00 0.09 -0.01 0.03 -0.02 0.01 0.04 -0.04 -0.01 0.06 -0.09 -0.02 0.06 -0.09 0.00 0.04 0.06 -0.01 0.02 0.05 -0.01 -0.03 -0.00 0.01 0.01 -0.01 0.01 0.02 -0.03 0.02 0.02 -0.03 -0.03 -0.02 -0.03 -0.01 0.02 -0.02 0.04 -0.06 0.09 0.19 -0.03 0.29 0.32 -0.01 0.23 0.09 -0.03 0.22 0.01 0.02 0.01 0.01 0.01 0.01 0.00 0.03 0.00 0.02 -0.00 -0.01 -0.03 0.06 -0.03 -0.02 -0.08 -0.04 0.02 0.00 -0.08 0.02 0.02 -0.07 0.02 0.02 -0.08 0.04 -0.08 0.10 0.09 0.01 0.13 -0.01 -0.06 0.00 0.01 -0.13 -0.11 0.00 -0.14 -0.09 0.01 -0.13 -0.12 0.10 0.06 0.00 -0.02 0.05 0.03 0.04 0.02 -0.03 0.06 0.05 0.00 0.01 -0.05 0.01 0.01 -0.02 0.00 -0.01 -0.10 0.08 0.03 0.02 0.03 0.00 -0.07 -0.05 -0.01 0.04 0.02 -0.00 -0.02 -0.03 -0.09 -0.06 0.04 -0.06 -0.03 0.09 -0.02 -0.04 0.02 -0.01 0.01 0.02 -0.00 -0.06 0.03 -0.06 -0.04 0.01 0.01 0.05 -0.02 -0.01 0.05 -0.02 -0.01 -0.01 -0.03 -0.01 -0.01 -0.02 0.07 0.06 0.02 0.03 0.07 0.07 0.13 0.02 0.07 0.05 0.00 -0.03 0.08 0.05 -0.30 0.03 0.01 -0.04 -0.13 0.03 -0.04 -0.15 0.05 -0.05 -0.11 0.03 -0.01 -0.04 -0.02 -0.05 -0.03 -0.02 -0.05 -0.03 0.01 -0.05 0.08 0.20 0.02 0.11 0.14 0.04 0.10 0.18 0.01 -0.20 0.13 -0.07 -0.24 0.19 -0.07 -0.24 0.07 -0.08 -0.00 -0.01 -0.05 0.01 -0.01 -0.05 -0.01 -0.00 -0.04 -0.02 0.04 -0.09 -0.04 -0.02 -0.12 -0.00 0.04 -0.04 0.18 -0.19 0.22 0.20 -0.16 0.23 0.17 -0.14 0.15 0.08 -0.00 -0.01 0.05 0.00 0.01 -0.00 -0.05 -0.04 0.06 0.01 -0.02 -0.01 -0.01 0.00 -0.03 -0.01 -0.04 0.05 -0.07 0.08 -0.02 0.09 0.06 -0.03 -0.02 -0.05 -0.02 0.03 0.02 -0.08 0.03 -0.05 0.01 -0.01 0.06 -0.01 -0.01 0.05 -0.00 0.26 -0.11 0.00 0.15 -0.00 -0.02 0.00 0.06 0.01 0.26 -0.11 -0.03 0.03 0.03 -0.02 0.04 0.01 -0.05 0.03 -0.05 -0.03 0.04 -0.06 -0.06 -0.13 -0.15 -0.03 -0.08 -0.11 -0.07 -0.11 -0.14 0.00 -0.05 0.01 0.02 0.11 -0.31 0.06 -0.10 0.15 -0.06 0.00 -0.04 -0.04 -0.00 -0.03 -0.02 -0.01 -0.00 0.05 -0.01 0.06 0.12 -0.02 0.02 -0.01 -0.00 0.01 0.08 -0.00 0.00 0.09 0.00 0.00 0.06 0.05 -0.02 0.01 -0.01 -0.02 -0.00 0.01 0.01 -0.01 0.00 0.01 0.06 -0.06 0.37 -0.01 -0.09 0.37 0.09 -0.05 0.25 -0.06 0.02 -0.08 -0.04 -0.04 -0.13 -0.06 0.02 -0.06 0.04 -0.05 -0.12 0.03 -0.04 -0.04 -0.02 -0.06 -0.11 0.07 -0.02 -0.02 -0.02 -0.04 -0.01 -0.03 -0.02 -0.06 -0.01 -0.01 -0.02 -0.04 -0.05 -0.08 -0.04 -0.06 -0.06 -0.08 0.04 -0.22 -0.08 -0.19 -0.14 -0.01 -0.02 0.01 -0.01 0.01 0.01 -0.04 0.07 -0.04 0.01 0.02 0.04 0.00 0.00 0.02 0.00 0.10 -0.04 -0.02 0.00 -0.10 0.02 0.01 0.07 0.13 0.09 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.03 0.09 -0.03 -0.04 0.09 -0.01 0.07 -0.01 -0.10 0.06 0.01 -0.08 0.10 0.11 0.04 -0.00 -0.00 0.01 0.00 0.10 -0.12 0.06 -0.02 0.06 -0.03 0.02 -0.02 -0.03 0.04 -0.02 -0.01 0.01 0.02 0.02 -0.01 0.10 0.05 0.00 0.08 -0.03 -0.03 0.09 0.02 0.02 0.00 0.02 0.02 0.00 0.02 0.02 0.00 -0.04 0.02 -0.02 -0.03 0.00 -0.04 -0.04 0.03 -0.01 0.10 -0.03 0.10 0.06 -0.05 0.10 0.10 0.00 0.08 0.04 -0.17 0.12 0.06 0.01 0.22 -0.04 -0.14 0.00 -0.00 0.25 0.33 -0.01 0.20 0.23 0.07 0.22 0.38 0.09 -0.03 -0.04 0.03 -0.04 -0.02 -0.02 -0.05 -0.02 0.04 -0.03 -0.05 -0.00 0.07 0.01 -0.02 0.06 -0.00 0.00 0.09 -0.01 -0.02 0.04 0.01 0.00 0.07 0.04 0.02 -0.05 -0.06 -0.00 0.01 0.01 -0.05 -0.05 -0.20 0.01 -0.02 -0.12 0.03 0.07 -0.04 0.03 -0.01 -0.01 0.07 -0.06 -0.22 0.07 0.08 -0.05 0.07 -0.02 -0.11 0.05 -0.05 -0.06 0.00 -0.00 0.00 0.02 0.00 -0.01 0.05 0.01 -0.09 -0.06 -0.04 -0.10 0.13 -0.03 -0.00 -0.06 -0.02 0.01 -0.10 -0.11 0.40 -0.06 -0.03 0.05 0.21 -0.07 0.14 0.08 0.01 0.05 0.12 -0.06 0.12 0.02 0.02 0.01 -0.01 -0.02 0.01 0.02 0.03 0.01 -0.15 -0.14 -0.07 -0.16 -0.09 -0.07 -0.15 -0.16 -0.07 -0.14 0.09 -0.00 -0.13 0.05 -0.11 -0.13 0.02 -0.10 -0.03 -0.00 0.11 -0.05 -0.02 0.11 -0.02 -0.01 0.07 0.03 0.00 0.03 0.03 0.04 0.06 0.02 0.01 0.01 0.15 -0.16 0.13 0.18 -0.12 0.07 0.15 -0.13 0.10 -0.10 -0.03 0.00 -0.06 -0.03 0.01 0.01 0.05 0.03 -0.03 -0.01 -0.01 -0.02 -0.03 0.07 0.00 -0.16 0.21 -0.02 0.01 0.03 0.13 -0.03 -0.01 -0.11 0.04 0.06 -0.04 0.08 0.01 -0.14 0.15 -0.17 0.01 0.02 -0.04 0.00 0.06 -0.03 -0.13 -0.01 0.04 -0.13 0.12 -0.01 0.04 0.03 -0.07 -0.20 -0.07 0.10 -0.02 0.09 0.01 -0.04 0.08 0.01 -0.09 0.11 -0.17 -0.07 0.12 -0.23 0.01 0.02 0.03 -0.02 -0.01 -0.01 0.01 -0.01 0.00 -0.02 0.04 -0.01 -0.07 0.03 0.33 0.05 0.04 0.01 0.12 0.01 0.08 0.05 -0.02 0.05 0.07 0.04 -0.01 -0.10 0.01 -0.17 -0.26 -0.03 -0.10 -0.03 -0.04 -0.09 -0.07 -0.07 -0.01 -0.10 -0.04 -0.03 -0.09 -0.04 0.00 0.01 -0.00 -0.00 0.00 0.02 0.02 0.01 -0.00 -0.00 0.13 -0.04 0.01 0.09 -0.02 0.03 0.14 -0.01 -0.02 -0.08 -0.06 -0.06 -0.03 -0.02 -0.06 -0.10 -0.07 -0.14 -0.01 -0.00 -0.02 -0.01 -0.00 -0.05 0.00 -0.02 0.00 0.29 0.05 -0.03 0.10 0.02 -0.02 -0.12 0.03 -0.03 0.15 0.02 -0.01 -0.01 0.02 0.03 -0.05 0.05 -0.08 0.04 0.01 0.04 -0.10 0.04 0.09 0.02 0.01 0.05 0.02 -0.03 -0.02 -0.07 0.07 0.01 -0.00 0.01 -0.03 0.01 -0.01 -0.03 0.15 -0.07 -0.01 0.16 -0.10 0.05 -0.01 0.01 -0.02 0.12 -0.03 -0.06 0.01 -0.04 -0.01 0.01 -0.04 -0.00 -0.19 0.14 0.04 -0.23 0.12 0.18 0.01 0.00 0.04 -0.00 -0.00 0.05 0.02 -0.03 0.03 0.04 0.12 -0.02 0.03 0.30 -0.06 0.21 0.12 -0.03 0.01 0.02 -0.00 0.02 0.03 0.00 0.00 0.02 0.01 0.01 -0.01 0.08 0.16 -0.01 -0.00 -0.14 -0.03 -0.01 -0.07 0.02 0.03 -0.05 0.05 0.05 -0.04 -0.03 0.01 0.00 -0.00 0.01 0.03 -0.05 -0.04 0.02 0.00 -0.01 0.30 -0.10 -0.10 0.25 -0.04 -0.07 0.29 0.01 -0.06 -0.11 -0.18 -0.13 -0.14 -0.15 -0.10 -0.18 -0.13 -0.06 0.01 -0.04 -0.03 0.02 -0.01 -0.02 -0.02 -0.03 -0.04 -0.09 -0.02 0.01 0.02 -0.01 -0.00 0.02 -0.01 0.03 -0.03 -0.01 0.01 -0.09 -0.01 0.00 -0.15 -0.03 -0.12 -0.01 -0.04 0.03 -0.18 0.04 0.06 -0.09 0.00 0.01 -0.09 0.07 0.02 -0.05 0.09 -0.12 0.04 0.01 0.02 -0.00 0.05 0.02 0.23 -0.11 -0.01 0.23 -0.14 0.03 -0.00 0.03 -0.02 0.22 -0.06 -0.07 -0.07 0.12 0.02 -0.04 0.14 0.01 0.06 0.02 -0.14 0.08 0.04 -0.25 0.03 0.02 0.07 0.02 -0.01 0.04 0.02 -0.01 0.03 -0.02 -0.01 -0.04 -0.06 -0.18 0.38 -0.08 -0.00 -0.03 0.04 -0.14 0.02 -0.02 -0.12 -0.02 0.08 -0.17 0.05 0.16 0.04 0.04 0.16 -0.02 0.02 0.12 0.03 0.01 -0.01 0.02 -0.01 -0.07 -0.00 -0.04 -0.04 0.07 0.03 0.00 -0.00 -0.02 -0.03 0.06 0.10 -0.01 0.01 0.01 -0.08 0.02 -0.02 -0.06 0.01 -0.02 -0.07 -0.01 -0.04 -0.06 0.08 0.10 0.01 0.07 0.06 0.00 0.03 -0.02 -0.02 -0.01 -0.00 -0.01 0.01 0.00 -0.04 -0.01 -0.01 0.21 -0.01 -0.01 0.16 -0.02 -0.01 -0.10 -0.04 -0.01 0.13 -0.03 0.01 -0.02 -0.00 0.00 -0.04 -0.01 -0.03 0.01 -0.01 0.01 -0.04 0.03 0.02 -0.03 0.00 0.00 0.04 0.09 0.02 0.01 -0.01 -0.04 0.01 0.01 -0.02 0.03 0.01 -0.01 0.05 -0.02 -0.00 0.06 -0.02 0.02 0.00 0.02 -0.02 0.04 -0.01 -0.01 0.03 0.02 0.03 -0.00 0.02 -0.01 0.07 -0.03 -0.04 0.12 0.01 -0.08 0.01 -0.00 0.02 0.02 -0.01 0.01 0.01 -0.01 0.00 -0.04 -0.01 -0.04 -0.08 -0.21 0.51 -0.09 -0.01 -0.01 -0.00 0.21 0.04 0.05 0.22 0.08 -0.05 0.22 0.07 -0.20 -0.09 0.21 -0.06 -0.05 0.14 -0.22 0.02 0.14 -0.01 -0.00 -0.02 -0.07 -0.01 -0.05 -0.02 -0.00 0.05 0.03 -0.01 -0.04 0.11 -0.17 -0.30 0.04 0.00 -0.04 -0.06 0.02 0.01 -0.04 0.01 0.01 -0.06 -0.03 0.00 0.19 -0.07 -0.17 0.11 0.02 -0.09 0.08 0.02 -0.08 -0.01 -0.02 -0.01 -0.01 -0.00 -0.00 -0.03 -0.01 -0.01 0.07 -0.01 -0.00 0.04 -0.01 -0.00 -0.03 -0.01 -0.00 0.04 -0.02 0.00 0.01 -0.00 -0.02 0.02 0.01 0.00 -0.01 -0.01 -0.00 0.03 0.00 -0.02 0.01 -0.01 -0.03 0.01 0.01 0.00 0.00 -0.03 0.05 -0.02 0.03 -0.03 -0.00 0.02 -0.03 -0.04 0.08 -0.03 -0.04 0.03 -0.01 -0.01 0.02 -0.02 0.00 0.03 0.04 -0.01 0.01 0.02 0.01 0.02 -0.00 -0.01 -0.02 0.05 -0.01 -0.02 0.06 0.10 -0.07 0.06 0.11 -0.06 0.09 0.09 -0.06 0.06 0.00 0.06 -0.15 -0.09 -0.24 0.81 -0.04 0.04 -0.05 -0.03 -0.02 -0.02 -0.01 -0.03 -0.01 -0.00 -0.02 -0.03 0.03 0.00 -0.03 0.01 0.01 -0.02 0.04 -0.01 -0.01 -0.04 0.12 0.04 -0.16 0.11 -0.03 -0.04 0.08 0.13 0.03 -0.02 0.02 0.02 -0.00 0.07 0.04 -0.01 0.01 0.02 -0.07 0.03 0.02 -0.05 0.04 0.02 -0.07 0.04 -0.01 0.03 0.03 -0.01 -0.01 0.01 0.00 0.02 0.04 -0.06 -0.02 0.02 -0.04 0.00 -0.00 -0.06 -0.02 0.01 -0.04 -0.06 -0.01 -0.05 -0.08 -0.02 0.01 -0.01 -0.02 0.02 -0.07 -0.01 0.01 -0.04 -0.07 0.02 0.01 -0.06 -0.06 -0.10 0.02 0.04 0.04 -0.07 0.00 -0.06 -0.12 -0.12 0.14 0.04 0.05 -0.10 0.20 0.10 -0.05 0.03 0.02 0.08 0.05 -0.03 -0.03 0.02 -0.03 0.03 -0.03 0.12 -0.01 -0.09 -0.05 -0.02 0.00 -0.07 0.20 0.01 -0.03 0.23 -0.01 -0.01 -0.03 0.21 -0.04 -0.05 0.29 -0.10 0.00 -0.04 -0.08 -0.00 -0.07 -0.10 0.02 -0.02 -0.06 0.03 0.02 -0.12 -0.07 0.54 -0.02 0.03 0.00 0.03 -0.02 0.10 -0.05 -0.02 0.05 0.04 -0.01 0.07 0.01 0.01 0.01 0.03 -0.02 -0.01 -0.03 0.00 -0.01 0.07 -0.11 0.00 -0.02 -0.09 -0.06 -0.02 0.07 0.02 -0.04 0.04 -0.10 -0.11 0.14 -0.03 -0.10 0.01 -0.05 0.07 -0.01 -0.03 0.12 0.03 -0.02 0.06 -0.01 0.05 -0.02 -0.03 -0.01 -0.09 -0.11 -0.02 0.01 -0.03 0.11 0.05 0.05 -0.02 0.03 0.02 -0.02 0.08 0.04 -0.00 0.01 0.07 0.02 0.03 0.07 0.02 0.00 -0.02 -0.05 -0.05 0.06 0.04 -0.01 -0.00 -0.02 -0.00 -0.00 -0.02 -0.00 -0.02 0.00 0.01 0.03 -0.02 -0.01 -0.00 -0.03 -0.14 0.01 0.05 0.01 -0.04 0.06 -0.11 0.10 -0.04 -0.03 0.04 -0.02 -0.00 0.02 -0.01 -0.01 0.00 -0.01 -0.07 0.07 0.01 0.01 -0.02 0.04 -0.07 0.04 -0.02 -0.06 0.05 -0.03 0.00 -0.02 0.06 -0.02 -0.04 0.08 0.12 0.05 0.01 0.04 0.02 0.01 0.15 0.02 0.02 0.05 -0.02 0.03 0.11 0.17 -0.61 0.07 -0.02 0.02 -0.06 0.01 0.27 -0.05 -0.12 0.32 -0.02 0.03 0.14 0.02 0.02 0.00 0.02 0.01 -0.00 0.01 0.02 -0.00 -0.08 0.02 -0.03 0.01 0.02 0.03 -0.06 -0.01 -0.08 0.21 -0.10 -0.22 0.08 0.13 -0.01 0.12 -0.09 -0.06 -0.00 0.01 0.01 0.02 -0.02 -0.00 -0.01 0.02 0.03 -0.00 0.01 0.01 -0.02 -0.02 0.00 0.01 0.00 0.04 -0.07 -0.08 0.05 -0.03 -0.01 0.05 -0.10 -0.04 -0.02 0.01 -0.05 -0.04 -0.01 -0.05 -0.03 -0.01 -0.00 -0.02 0.07 -0.04 -0.06 0.01 -0.01 -0.00 0.01 0.01 -0.01 0.01 -0.03 0.02 0.00 0.00 0.01 0.01 -0.01 -0.01 0.09 0.04 0.01 0.01 0.02 0.01 -0.15 0.11 -0.05 -0.02 0.05 -0.01 -0.00 -0.03 0.01 0.00 -0.01 0.01 -0.11 0.09 -0.00 -0.01 0.01 -0.04 0.04 0.03 0.06 0.05 0.03 0.04 0.03 0.06 0.02 0.02 0.06 0.05 0.07 0.17 -0.11 0.05 0.14 -0.17 0.09 0.17 -0.11 -0.13 -0.05 0.12 -0.18 -0.11 0.54 -0.09 -0.05 0.08 -0.04 0.01 -0.12 0.02 -0.02 -0.08 0.00 -0.00 -0.09 0.02 -0.03 -0.02 0.05 0.00 -0.02 -0.01 -0.05 -0.02 0.17 -0.07 -0.11 0.07 -0.10 -0.18 0.11 0.03 -0.03 0.09 -0.07 0.11 0.12 -0.11 0.16 0.16 -0.04 0.06 0.04 0.07 0.01 0.05 0.03 -0.01 0.04 0.06 0.01 -0.08 -0.04 -0.01 -0.06 -0.06 -0.03 -0.06 -0.06 -0.02 -0.08 -0.14 0.08 -0.05 -0.09 0.10 -0.09 -0.08 -0.01 -0.03 0.01 -0.01 0.00 0.03 0.02 0.01 -0.01 -0.01 0.03 0.05 -0.05 -0.04 0.00 -0.04 -0.04 -0.04 -0.02 -0.04 -0.03 0.00 0.04 0.10 -0.06 -0.07 0.01 -0.08 -0.03 0.05 -0.05 0.02 -0.09 0.16 -0.00 0.02 -0.03 -0.02 0.03 -0.04 -0.01 0.00 -0.00 -0.01 0.03 -0.03 -0.02 0.03 -0.03 -0.00 -0.10 0.12 -0.08 0.06 0.02 -0.05 0.08 0.01 0.01 -0.06 0.16 -0.01 -0.08 0.18 0.09 0.03 0.04 0.02 -0.01 0.04 0.12 -0.02 0.04 0.06 -0.02 0.01 0.12 0.18 -0.61 0.08 -0.02 0.00 0.15 -0.02 -0.15 0.12 0.07 -0.20 0.10 -0.04 -0.07 -0.03 0.02 0.06 -0.04 -0.01 0.05 -0.05 0.03 0.05 -0.13 0.01 -0.02 -0.03 0.01 0.04 -0.10 -0.03 -0.07 -0.04 0.01 0.19 0.08 -0.20 0.02 0.06 0.02 0.07 0.01 0.00 0.02 0.06 -0.01 0.00 -0.01 0.00 0.08 0.05 -0.02 -0.03 -0.02 -0.06 -0.01 0.05 0.00 0.08 -0.06 -0.05 0.02 -0.03 -0.01 -0.01 -0.06 -0.02 -0.02 0.09 -0.02 -0.06 0.04 -0.04 -0.07 -0.07 0.02 -0.06 0.10 -0.04 -0.06 0.04 0.00 0.02 0.04 0.03 0.01 0.02 -0.00 0.03 0.02 -0.02 0.03 0.04 -0.01 0.02 -0.06 -0.01 0.00 0.07 0.06 -0.01 0.17 -0.11 0.06 0.04 -0.01 0.03 -0.01 0.07 -0.04 -0.01 -0.00 0.03 0.09 -0.05 -0.04 0.02 -0.07 0.13 -0.03 0.03 -0.02 -0.01 0.04 -0.01 0.21 0.20 0.03 0.27 0.24 0.08 0.08 -0.00 0.14 0.08 -0.04 0.10 0.05 -0.01 0.08 -0.06 -0.14 0.04 -0.04 -0.11 -0.08 -0.06 -0.15 0.02 0.03 -0.02 0.04 -0.03 -0.00 -0.00 0.00 -0.02 0.02 -0.02 0.03 -0.02 0.04 0.00 -0.05 -0.11 -0.01 -0.06 -0.03 0.09 -0.13 -0.01 -0.03 -0.12 -0.01 0.04 -0.08 -0.09 0.05 -0.05 -0.11 0.09 -0.02 -0.12 0.05 -0.02 -0.05 0.15 0.02 -0.02 0.04 -0.04 -0.07 0.16 0.04 -0.16 -0.19 -0.07 -0.16 -0.13 -0.03 -0.13 -0.24 -0.16 -0.12 0.02 -0.03 -0.13 -0.02 -0.10 -0.05 -0.00 -0.01 -0.06 -0.14 -0.05 -0.07 -0.15 -0.06 0.05 -0.03 -0.01 0.04 -0.15 -0.05 -0.03 0.01 -0.02 -0.04 -0.04 -0.00 -0.02 0.02 -0.03 0.02 0.06 -0.03 -0.05 0.02 -0.02 0.05 -0.05 -0.01 0.06 -0.01 0.08 -0.17 0.11 -0.10 -0.04 -0.01 -0.08 0.01 -0.08 0.03 0.02 0.08 0.00 -0.07 0.03 0.05 -0.10 -0.13 0.08 0.03 -0.08 0.01 0.01 -0.09 0.01 0.20 0.14 0.12 0.27 0.18 0.18 -0.11 -0.16 0.01 -0.08 -0.10 0.09 -0.11 -0.15 0.04 0.03 -0.06 -0.11 0.03 -0.17 0.01 -0.04 -0.07 -0.07 -0.04 -0.01 -0.01 0.00 -0.04 0.02 -0.02 -0.01 -0.02 0.02 0.01 -0.00 0.05 -0.01 -0.02 -0.05 -0.03 -0.02 -0.04 0.04 0.08 -0.04 0.02 0.08 -0.02 -0.01 0.08 0.08 -0.05 0.02 0.07 -0.02 0.10 0.11 -0.06 -0.01 -0.07 0.03 0.03 -0.02 0.08 0.05 -0.09 0.05 0.10 -0.12 -0.15 -0.02 -0.13 -0.11 0.00 -0.09 -0.19 -0.08 0.23 0.04 -0.01 0.25 0.09 0.08 0.12 0.04 0.00 0.05 0.17 0.01 0.10 0.16 -0.06 -0.05 0.04 0.01 -0.06 0.11 0.07 0.06 -0.04 0.01 0.08 0.05 -0.02 0.02 -0.07 0.03 -0.02 -0.12 0.04 0.09 -0.07 0.01 -0.13 0.12 -0.02 0.02 0.07 -0.10 -0.11 0.07 -0.02 -0.09 0.11 0.02 -0.02 0.07 -0.01 -0.03 -0.09 -0.00 0.02 0.04 -0.02 0.10 0.36 -0.34 -0.14 0.19 0.01 -0.05 0.23 0.01 0.07 0.05 -0.11 0.11 0.08 -0.15 -0.04 0.01 -0.04 -0.08 0.00 -0.03 -0.01 -0.00 0.01 0.06 0.05 -0.05 0.08 0.04 -0.19 0.02 0.06 -0.05 0.12 -0.02 -0.03 0.04 -0.02 -0.08 0.08 -0.01 -0.05 -0.06 0.04 0.02 -0.03 0.04 0.00 -0.09 0.04 0.00 -0.04 -0.06 0.09 -0.03 -0.01 0.10 -0.09 0.07 0.03 0.05 -0.05 0.07 -0.03 0.09 0.24 0.03 -0.09 0.05 -0.08 -0.03 -0.06 -0.11 -0.04 -0.07 -0.08 -0.00 -0.08 -0.00 -0.04 -0.06 -0.01 0.00 -0.03 -0.02 -0.04 -0.09 0.07 0.02 0.02 0.08 0.04 0.04 0.04 0.01 0.03 -0.08 -0.10 0.10 -0.11 -0.07 0.19 0.09 -0.06 0.01 -0.07 -0.03 0.04 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.02 -0.01 -0.01 -0.04 0.00 0.02 -0.02 0.00 -0.02 0.03 0.00 -0.02 -0.00 -0.02 -0.11 0.06 -0.05 -0.05 0.04 -0.02 0.00 0.04 -0.04 -0.00 -0.02 -0.02 0.01 0.02 0.01 0.05 -0.30 0.37 -0.03 0.05 0.02 0.00 0.06 0.02 -0.12 -0.07 -0.04 -0.18 -0.11 -0.05 -0.09 -0.10 0.24 -0.05 -0.14 0.17 -0.14 -0.12 0.16 -0.09 -0.06 0.12 -0.09 0.04 0.07 -0.01 -0.06 0.06 0.03 -0.00 -0.02 0.01 -0.01 -0.02 0.03 0.00 -0.02 -0.02 0.01 0.01 -0.02 0.02 0.02 0.01 0.02 0.02 0.02 0.07 -0.21 0.04 -0.06 -0.20 0.02 0.05 -0.15 0.04 -0.03 0.03 -0.02 0.08 0.17 0.03 -0.07 0.01 0.09 0.10 -0.00 0.07 0.04 -0.03 0.11 0.05 -0.05 0.06 0.05 0.01 0.05 0.04 0.00 0.04 0.08 0.06 0.20 0.08 -0.02 0.20 0.10 0.04 0.12 0.06 0.01 -0.02 -0.09 -0.04 -0.01 -0.13 -0.13 0.02 -0.04 -0.03 -0.01 -0.17 0.01 0.02 -0.00 0.01 0.02 0.01 0.01 0.01 0.00 0.00 0.00 -0.03 0.01 0.02 -0.01 0.02 -0.07 -0.10 -0.05 -0.01 0.00 -0.03 -0.02 -0.01 0.06 -0.05 -0.02 0.04 0.00 -0.07 0.02 0.03 0.09 0.05 -0.03 -0.01 0.08 -0.14 -0.21 0.17 -0.03 -0.02 -0.08 -0.01 -0.02 -0.02 -0.04 -0.02 -0.03 -0.04 -0.02 -0.03 0.05 -0.04 -0.05 0.06 -0.00 -0.01 0.05 -0.01 -0.02 -0.01 -0.04 -0.02 -0.03 -0.08 0.11 -0.02 -0.05 0.00 0.03 -0.16 -0.01 -0.04 -0.13 -0.06 -0.02 -0.17 -0.00 -0.10 0.25 0.08 -0.12 0.13 0.06 -0.16 0.26 0.04 0.04 0.05 0.00 0.02 0.03 -0.01 0.04 0.06 0.01 0.00 -0.04 -0.03 -0.19 0.32 0.48 -0.06 -0.07 0.03 0.03 0.02 0.06 0.01 0.05 0.08 0.04 -0.01 0.02 0.11 -0.04 -0.08 0.01 0.05 0.02 0.04 0.01 -0.03 -0.05 -0.02 0.01 -0.05 -0.01 0.01 -0.06 -0.01 0.00 -0.04 0.14 -0.04 0.07 0.14 -0.11 0.02 0.02 0.03 -0.02 0.11 0.00 0.05 -0.03 0.01 0.05 0.06 -0.03 0.00 -0.04 0.02 -0.03 -0.10 0.03 0.06 -0.04 0.01 -0.06 0.11 0.02 -0.01 0.04 -0.06 0.03 0.00 -0.03 0.00 0.06 -0.02 0.01 -0.11 0.02 0.05 0.12 0.08 0.05 0.02 -0.09 -0.20 -0.39 0.33 -0.08 0.09 0.06 -0.04 0.12 0.01 -0.04 -0.00 -0.07 -0.06 -0.01 -0.09 0.08 -0.07 -0.04 0.05 -0.05 0.02 0.10 -0.06 0.01 0.02 -0.10 -0.06 0.02 -0.07 -0.14 0.01 -0.11 -0.01 0.05 0.10 0.01 0.04 0.09 0.01 0.05 0.11 -0.01 0.03 -0.15 -0.04 0.08 -0.06 -0.04 0.07 -0.14 -0.03 -0.08 0.03 0.00 -0.08 -0.02 0.01 -0.08 0.03 0.02 -0.00 0.02 0.03 0.10 -0.17 -0.25 0.02 0.03 -0.00 0.03 0.06 0.10 -0.01 0.09 0.12 0.05 0.03 0.03 -0.04 0.05 0.04 0.03 0.00 -0.02 -0.02 0.04 0.01 -0.05 -0.00 0.02 -0.03 0.01 -0.04 -0.04 -0.02 0.05 -0.10 0.22 -0.06 0.10 0.20 -0.20 0.07 0.01 0.03 -0.05 0.15 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.04 0.04 0.04 -0.00 -0.00 0.01 0.04 0.02 -0.03 0.03 0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.06 0.02 -0.05 0.00 -0.02 0.02 0.04 -0.01 0.04 0.01 -0.02 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.05 0.01 0.00 -0.00 0.02 0.07 -0.02 -0.09 -0.03 -0.06 0.08 0.08 -0.10 0.00 -0.06 0.01 0.02 0.01 0.02 0.01 -0.08 0.03 -0.03 -0.02 0.00 -0.02 -0.01 0.01 -0.02 -0.04 0.00 -0.03 -0.05 -0.03 -0.29 0.47 0.77 -0.07 -0.07 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.02 -0.01 -0.02 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 0.01 -0.02 -0.01 0.02 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.04 0.21 -0.01 0.02 -0.01 0.15 0.05 -0.25 0.18 0.08 -0.24 -0.01 -0.01 0.04 -0.00 0.01 0.04 0.14 0.07 -0.28 -0.05 0.35 -0.39 -0.08 -0.07 0.31 0.04 0.00 0.14 -0.02 -0.01 -0.02 -0.07 -0.05 -0.06 0.01 -0.04 -0.02 0.02 -0.03 0.01 0.02 -0.04 -0.00 0.00 -0.02 0.01 0.01 0.03 -0.12 0.03 -0.02 -0.01 -0.10 -0.09 -0.01 -0.12 -0.03 -0.03 -0.09 -0.10 0.05 -0.02 0.10 0.02 -0.05 0.03 0.01 -0.04 0.12 -0.00 0.00 0.02 -0.03 -0.02 -0.03 -0.04 -0.00 0.01 0.04 -0.03 0.03 -0.04 0.08 -0.14 -0.01 0.11 0.11 -0.16 0.01 0.04 -0.02 0.01 0.02 -0.02 0.02 0.03 -0.03 0.03 -0.01 -0.02 -0.02 0.01 0.01 0.04 -0.01 0.00 0.01 -0.01 0.02 0.04 -0.00 -0.13 0.06 -0.04 0.06 0.00 0.01 0.03 -0.02 0.03 0.09 0.01 -0.00 0.00 -0.01 0.04 0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.02 -0.00 0.04 -0.01 0.01 -0.01 0.02 0.01 -0.04 0.04 0.02 -0.03 -0.00 0.03 -0.07 -0.01 -0.05 -0.10 0.02 0.02 -0.06 0.12 -0.60 0.69 0.00 -0.01 0.06 0.03 0.01 0.03 0.02 0.01 -0.01 0.03 0.02 -0.03 -0.05 0.12 0.01 -0.06 0.09 -0.03 -0.05 0.09 -0.01 0.02 0.02 -0.04 0.02 -0.01 -0.01 0.01 0.02 -0.01 -0.03 -0.03 -0.01 -0.02 -0.01 -0.00 -0.03 -0.03 0.01 -0.01 0.03 0.01 -0.00 0.01 -0.00 -0.02 0.04 -0.00 0.01 -0.05 0.08 -0.01 -0.01 0.07 -0.01 -0.01 0.06 -0.00 0.01 -0.01 0.03 -0.05 -0.03 0.03 0.02 -0.03 -0.02 -0.03 0.02 -0.02 -0.03 0.03 -0.02 -0.03 0.02 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.02 0.02 -0.00 0.00 0.01 -0.02 -0.01 0.04 0.00 -0.01 -0.01 -0.04 -0.04 0.02 -0.07 -0.13 0.01 -0.02 -0.02 0.01 -0.07 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.03 0.00 -0.02 -0.01 -0.02 0.01 -0.02 -0.00 0.02 -0.01 -0.01 0.02 0.01 -0.01 0.04 0.02 0.04 0.12 -0.01 -0.01 0.02 -0.12 0.37 -0.43 0.03 0.00 -0.03 0.02 -0.01 -0.01 -0.08 -0.03 0.01 -0.16 -0.08 0.03 -0.07 0.14 0.05 -0.09 0.12 0.03 -0.06 0.08 0.00 0.02 -0.21 -0.18 -0.00 -0.29 0.03 -0.02 -0.24 -0.09 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 0.00 0.01 0.01 0.01 0.01 -0.02 -0.05 0.18 -0.06 -0.07 0.16 -0.05 -0.00 0.17 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.12 0.23 0.04 0.14 0.08 -0.03 0.14 0.14 -0.01 0.02 0.02 0.00 0.00 -0.00 -0.00 0.01 0.03 0.05 0.02 0.01 -0.01 0.01 -0.00 0.02 0.03 0.02 -0.02 0.00 -0.10 -0.10 -0.04 -0.07 0.00 -0.01 -0.04 -0.06 0.00 -0.05 -0.16 -0.01 0.01 0.01 -0.02 -0.01 0.00 0.01 -0.00 0.02 0.00 0.02 -0.00 -0.01 0.01 0.01 -0.02 -0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.05 0.03 -0.02 -0.16 -0.41 -0.46 -0.02 -0.00 0.01 0.65 -0.09 0.21 -0.02 -0.02 -0.01 -0.02 -0.02 -0.01 -0.02 -0.00 -0.00 -0.06 -0.03 0.02 0.02 -0.05 -0.06 0.03 -0.03 -0.03 0.03 -0.02 -0.02 -0.00 -0.06 -0.02 -0.00 -0.07 -0.01 -0.01 -0.06 -0.04 0.01 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.02 0.01 -0.01 -0.01 0.01 0.00 0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.00 0.00 0.00 0.03 0.08 -0.05 0.03 0.08 -0.05 0.04 0.06 -0.06 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.02 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.03 0.02 0.11 -0.05 0.02 0.13 -0.01 0.03 0.05 -0.00 0.04 0.10 0.01 -0.02 -0.01 0.01 0.01 -0.02 0.00 -0.04 0.02 0.01 -0.03 -0.01 -0.00 -0.01 -0.00 0.37 0.23 0.09 -0.02 0.04 0.00 -0.04 -0.02 0.07 0.04 0.16 0.26 -0.02 -0.01 0.01 -0.05 -0.11 -0.12 0.09 0.05 -0.15 0.16 0.05 -0.03 0.36 0.20 0.06 0.21 0.13 0.14 0.00 -0.00 -0.01 -0.02 -0.02 -0.07 0.04 -0.05 0.01 -0.02 -0.08 0.01 0.06 -0.06 0.03 0.01 -0.01 0.01 0.02 0.05 -0.14 0.03 -0.01 -0.00 -0.18 -0.07 -0.07 -0.02 -0.07 0.02 -0.08 -0.11 0.04 -0.01 0.08 0.01 -0.03 0.01 -0.00 -0.03 0.09 -0.01 -0.22 -0.09 -0.05 -0.15 -0.05 -0.00 -0.18 -0.20 -0.08 0.01 0.00 -0.01 0.01 -0.01 -0.17 -0.04 -0.04 0.02 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.04 -0.02 0.00 0.03 -0.02 0.02 -0.02 0.02 -0.01 -0.04 0.01 0.06 -0.05 0.02 -0.01 -0.00 0.03 0.01 -0.02 0.03 0.01 0.00 -0.00 -0.01 -0.00 0.03 0.02 -0.01 -0.00 -0.01 -0.01 -0.04 0.01 -0.03 0.01 -0.02 0.00 0.02 -0.00 0.01 -0.01 -0.01 0.01 0.02 0.00 0.03 -0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.05 0.06 -0.07 0.15 0.40 0.41 -0.01 0.00 0.00 -0.57 -0.28 0.25 0.01 0.01 0.00 0.01 0.01 -0.00 -0.02 -0.00 -0.00 -0.06 -0.03 0.02 0.02 -0.03 -0.07 0.02 -0.03 -0.07 0.03 0.01 -0.02 -0.00 -0.04 -0.01 0.00 -0.05 -0.03 -0.01 -0.03 -0.05 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 0.01 0.01 0.00 0.00 -0.02 0.00 0.01 -0.02 -0.01 0.01 -0.02 0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.06 -0.07 0.01 0.08 -0.06 0.02 0.05 -0.07 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.02 0.01 -0.04 0.18 0.07 -0.07 0.09 0.01 0.01 0.08 0.02 -0.07 0.21 0.00 0.00 0.00 -0.04 0.01 -0.13 -0.07 -0.05 0.08 0.12 -0.02 -0.07 -0.00 0.07 0.14 0.00 -0.04 -0.02 -0.00 0.19 0.02 -0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.01 0.00 0.01 -0.01 0.09 -0.01 -0.10 0.02 -0.00 -0.07 0.01 -0.01 0.00 -0.02 -0.02 -0.00 -0.04 0.04 0.04 0.04 -0.02 -0.51 -0.33 -0.28 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.05 0.03 0.05 -0.01 0.01 0.01 0.01 0.00 0.01 0.03 -0.00 -0.02 0.01 0.01 -0.01 -0.02 0.02 0.21 -0.05 -0.11 -0.10 0.11 -0.13 0.01 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.02 -0.03 0.08 0.04 0.06 0.01 -0.01 -0.01 0.00 -0.08 -0.02 0.01 -0.01 0.12 -0.03 0.00 0.02 -0.00 -0.30 -0.16 0.04 0.24 -0.12 0.20 0.00 0.01 0.00 -0.02 -0.06 -0.05 0.10 -0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.04 0.10 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.02 -0.00 -0.07 -0.04 -0.02 0.04 0.06 -0.01 -0.03 0.00 0.03 0.06 -0.00 -0.00 0.01 -0.05 -0.03 -0.01 -0.00 -0.01 0.00 0.01 -0.04 -0.01 -0.01 0.00 0.00 -0.01 0.04 -0.01 -0.11 0.01 -0.00 -0.03 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.04 -0.01 0.66 0.43 0.11 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.02 -0.10 -0.04 -0.09 0.02 -0.02 0.00 -0.00 0.00 -0.02 -0.02 -0.01 0.01 0.00 -0.03 0.01 -0.00 -0.00 0.16 0.02 -0.07 -0.12 -0.03 -0.07 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.07 -0.10 0.10 0.08 0.12 -0.00 0.01 0.02 -0.00 0.08 0.03 -0.01 0.02 -0.18 -0.01 0.01 -0.01 0.00 0.14 0.22 0.07 -0.23 0.14 -0.11 0.00 0.00 0.00 -0.02 -0.06 -0.04 0.07 -0.01 0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.03 0.00 -0.01 0.00 0.01 0.01 0.01 0.00 -0.03 0.02 -0.02 0.03 -0.02 -0.01 0.02 0.03 0.04 -0.03 -0.02 -0.02 0.04 0.04 0.05 -0.04 -0.02 -0.02 -0.03 0.01 0.08 -0.20 -0.03 -0.00 -0.00 0.00 -0.01 -0.02 -0.02 -0.30 -0.01 0.07 0.03 0.01 -0.00 0.01 0.03 -0.00 0.04 0.06 -0.08 0.01 0.01 -0.00 -0.14 -0.09 0.05 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.04 0.01 0.03 -0.01 0.01 0.00 0.00 0.01 -0.09 -0.02 -0.04 0.04 0.00 -0.02 -0.00 -0.00 0.00 -0.02 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.01 -0.02 0.02 0.00 -0.02 0.01 -0.04 0.28 -0.38 0.43 0.35 0.48 -0.05 -0.00 -0.01 0.00 -0.03 -0.01 0.00 -0.00 0.05 -0.01 0.00 0.00 -0.00 -0.01 0.01 0.01 0.02 -0.01 -0.02 0.00 0.01 -0.00 -0.05 -0.10 -0.02 0.09 -0.01 0.02 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.04 -0.03 0.02 -0.00 0.00 -0.01 -0.05 -0.00 -0.01 0.02 0.18 0.03 0.15 -0.08 0.07 -0.03 -0.14 -0.10 -0.19 0.09 -0.04 -0.01 0.01 0.02 -0.14 0.06 0.06 -0.01 -0.03 -0.00 0.03 -0.06 0.01 0.01 0.01 -0.01 0.04 0.07 0.11 -0.14 0.01 -0.04 -0.13 -0.03 0.02 0.01 -0.03 -0.02 -0.07 -0.06 -0.01 0.01 -0.01 0.04 0.05 0.02 -0.11 0.00 -0.01 -0.01 0.03 0.00 -0.01 -0.00 0.04 0.01 -0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.02 0.00 -0.02 0.00 -0.00 0.01 -0.05 -0.05 -0.01 0.04 0.00 -0.04 0.00 0.01 0.00 -0.25 0.15 0.18 0.20 -0.12 0.22 0.00 0.01 0.00 0.01 0.01 0.00 0.02 -0.04 0.00 -0.01 0.01 -0.02 0.16 -0.21 0.21 0.18 0.26 -0.02 0.01 0.01 -0.02 0.07 0.03 -0.02 -0.00 -0.03 0.05 -0.01 0.00 -0.01 0.14 -0.24 -0.23 0.03 -0.01 0.05 0.00 0.02 0.01 -0.05 -0.11 -0.07 0.14 -0.03 0.08 0.04 -0.01 0.04 -0.06 -0.03 0.03 -0.19 0.09 -0.18 -0.04 -0.03 0.06 0.01 -0.00 0.01 0.02 0.02 0.04 0.04 0.01 -0.01 -0.03 -0.02 0.01 -0.05 -0.00 -0.05 0.00 -0.01 0.00 -0.04 0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.03 0.06 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.02 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.02 -0.01 -0.06 0.01 -0.01 -0.02 -0.01 0.00 0.59 -0.03 -0.33 -0.39 0.16 -0.37 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.03 0.01 0.01 -0.01 0.00 0.00 -0.00 0.02 0.01 -0.00 -0.00 -0.00 0.02 0.01 0.01 0.01 -0.28 0.19 0.25 0.03 0.01 0.07 -0.00 0.00 -0.00 -0.01 -0.02 -0.02 0.01 -0.02 0.04 0.01 0.00 0.01 -0.04 -0.01 0.01 -0.05 0.02 -0.08 -0.01 -0.00 0.01 0.01 -0.01 -0.02 0.02 -0.02 0.02 -0.01 0.00 -0.02 -0.02 0.02 0.01 0.02 -0.01 -0.00 -0.01 -0.06 -0.01 -0.13 0.34 0.11 -0.00 -0.01 -0.00 0.02 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.07 -0.02 0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.00 0.06 -0.02 -0.00 0.01 0.24 0.16 -0.37 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.00 0.02 0.01 0.05 -0.25 -0.08 -0.23 0.05 -0.02 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.01 0.02 0.01 0.01 -0.00 -0.00 -0.00 0.04 0.03 0.02 0.01 -0.00 -0.05 -0.00 0.00 -0.00 0.04 -0.06 0.06 0.05 0.05 -0.03 0.01 0.01 0.00 0.09 0.03 0.00 0.02 -0.18 0.00 0.01 0.01 -0.00 -0.26 -0.36 -0.09 0.19 -0.07 0.38 0.00 -0.00 -0.00 0.02 0.08 0.10 -0.10 0.06 -0.09 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.02 -0.02 -0.03 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.02 -0.01 -0.00 0.01 0.02 0.01 -0.02 -0.03 0.01 -0.02 -0.02 -0.02 0.05 0.02 -0.01 0.01 0.02 -0.05 0.19 0.10 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.20 0.17 -0.30 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.03 -0.03 0.06 -0.00 0.00 0.00 0.02 0.01 -0.06 0.00 -0.00 0.00 0.04 0.01 -0.00 -0.02 0.04 0.00 -0.00 0.01 0.00 0.02 -0.09 -0.03 -0.08 0.01 -0.00 -0.00 0.00 -0.00 0.05 -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 0.00 -0.04 -0.02 0.02 0.02 0.00 0.01 -0.00 0.00 0.00 0.01 0.02 0.01 0.01 -0.03 -0.01 0.01 -0.01 0.00 -0.05 0.07 -0.07 -0.09 -0.02 0.13 0.00 0.00 0.00 0.02 0.01 0.00 0.01 -0.04 0.00 0.00 0.00 -0.00 -0.05 -0.06 -0.02 0.04 -0.02 0.06 -0.00 0.02 0.00 -0.13 -0.39 -0.41 0.49 -0.19 0.29 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.06 -0.01 -0.02 0.11 0.04 0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.04 0.01 0.04 -0.01 -0.01 -0.00 0.18 0.11 -0.11 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 0.00 -0.03 -0.01 -0.09 0.50 0.16 0.44 -0.09 0.03 0.00 -0.01 0.01 0.00 -0.13 0.03 -0.07 0.04 -0.19 -0.01 -0.00 -0.00 0.21 0.42 0.00 -0.02 -0.14 0.08 0.00 0.00 0.00 -0.07 -0.07 -0.03 -0.03 0.05 0.08 -0.00 0.00 0.00 0.00 -0.00 -0.04 -0.02 0.02 0.04 -0.02 0.01 -0.00 -0.06 -0.05 -0.02 -0.04 0.13 0.01 0.01 0.00 0.00 0.02 -0.19 -0.12 0.00 0.03 0.17 -0.00 -0.00 0.00 -0.01 -0.02 -0.02 0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.05 0.01 0.03 -0.06 -0.02 -0.00 -0.00 -0.00 0.01 0.06 0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.05 0.02 -0.07 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.04 0.02 0.01 -0.00 -0.21 -0.14 0.05 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.01 -0.00 0.02 0.01 0.06 -0.34 -0.11 -0.30 0.06 -0.02 0.01 -0.01 0.01 -0.01 -0.17 0.03 -0.09 0.06 -0.26 -0.02 -0.01 -0.00 0.30 0.59 0.00 -0.02 -0.17 0.11 -0.00 -0.00 -0.00 0.05 0.05 0.02 0.01 -0.01 -0.07 -0.00 0.01 0.00 0.02 -0.02 -0.04 -0.00 0.03 0.03 0.01 -0.01 0.00 0.02 0.03 0.02 0.03 -0.06 -0.02 -0.00 0.00 0.00 0.20 0.02 -0.09 -0.08 0.05 -0.09 0.00 -0.00 0.00 0.00 0.02 0.04 -0.02 0.03 -0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.00 -0.01 0.00 -0.01 0.02 0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.08 0.05 -0.07 0.02 0.01 0.00 0.02 0.01 -0.02 -0.10 -0.39 -0.36 0.00 -0.00 0.00 0.00 0.04 -0.04 -0.28 -0.14 0.50 -0.00 -0.00 0.00 0.01 0.03 0.02 0.13 0.09 -0.10 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.01 0.00 -0.05 -0.01 0.00 0.02 -0.09 -0.05 0.00 0.01 0.00 0.02 -0.07 -0.03 -0.07 0.02 -0.01 -0.01 -0.00 0.00 0.06 -0.05 0.05 -0.01 0.00 -0.03 -0.00 0.00 -0.00 0.03 0.10 0.01 0.01 -0.03 0.03 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.03 0.04 -0.00 0.00 -0.01 0.01 -0.09 0.11 -0.10 -0.11 -0.09 0.07 0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.04 -0.01 0.00 0.00 -0.00 -0.02 -0.09 -0.05 0.03 -0.01 0.07 0.00 0.00 -0.00 0.06 0.03 -0.22 -0.04 -0.19 0.29 -0.01 -0.00 0.00 0.03 0.01 0.01 0.01 -0.01 -0.01 0.03 0.01 -0.01 0.01 0.00 -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 -0.03 -0.01 0.03 0.09 -0.04 -0.02 -0.01 -0.01 0.01 0.01 0.16 0.14 0.00 -0.00 -0.00 0.00 -0.02 0.02 0.16 0.03 -0.17 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.06 -0.04 0.04 -0.00 0.00 -0.01 0.02 0.02 0.11 0.01 0.02 0.01 -0.04 -0.00 0.00 -0.02 -0.21 -0.22 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.06 -0.07 0.06 0.07 0.06 -0.03 -0.00 0.00 0.00 -0.07 -0.02 0.00 0.01 0.02 -0.07 0.00 0.00 -0.00 -0.03 -0.06 -0.02 0.02 0.00 0.07 0.02 0.01 -0.03 0.07 0.14 0.01 -0.44 -0.37 0.59 -0.00 -0.00 0.00 -0.02 0.01 0.03 -0.00 0.05 0.07 0.11 0.04 -0.03 -0.02 0.01 -0.01 -0.03 0.00 0.03 0.03 -0.00 0.02 -0.01 -0.01 -0.04 0.02 0.00 0.00 -0.01 0.05 0.03 0.39 -0.20 -0.11 -0.00 0.00 -0.00 0.02 0.01 0.01 0.00 -0.00 0.00 -0.00 0.07 -0.06 -0.00 0.01 -0.02 -0.01 0.01 -0.01 -0.00 0.00 0.01 -0.03 0.00 -0.05 -0.01 0.01 -0.05 0.10 0.09 0.47 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.01 0.06 0.04 -0.00 0.00 0.00 0.01 -0.06 -0.02 -0.05 0.01 0.02 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.01 -0.03 -0.05 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.30 -0.02 0.05 0.07 0.03 -0.33 0.01 0.01 0.00 -0.18 -0.27 -0.07 0.09 -0.01 0.32 -0.00 -0.00 0.01 -0.03 -0.04 0.03 0.11 0.10 -0.16 0.00 -0.00 -0.01 0.04 -0.01 -0.04 0.01 0.01 0.13 0.02 -0.02 0.01 0.04 -0.02 0.01 0.05 -0.01 -0.04 -0.05 0.00 -0.02 0.01 -0.01 0.04 -0.04 0.03 -0.00 0.01 0.05 0.00 0.06 -0.04 -0.01 0.00 0.00 -0.00 -0.01 -0.04 -0.04 -0.01 0.01 -0.02 0.02 -0.55 0.61 -0.04 -0.01 0.05 0.02 -0.03 0.03 0.00 -0.00 0.00 -0.04 -0.02 -0.03 -0.00 0.00 -0.00 0.03 0.02 0.10 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.02 0.02 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.02 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.03 0.01 0.03 -0.01 -0.01 -0.00 0.00 -0.00 -0.04 0.01 0.02 0.02 -0.02 0.03 -0.00 0.00 -0.00 0.01 0.01 0.00 0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.02 -0.01 0.02 0.01 -0.00 0.00 -0.12 -0.00 0.02 0.03 0.01 -0.12 0.00 0.00 0.00 -0.02 -0.07 -0.03 0.02 -0.00 0.07 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.04 0.02 -0.03 0.03 0.03 -0.01 -0.44 -0.04 0.05 -0.04 0.12 -0.04 -0.03 0.02 -0.01 0.02 0.13 0.13 -0.21 -0.09 -0.11 0.04 0.29 0.21 0.12 -0.23 0.02 0.06 -0.08 -0.26 -0.06 -0.04 0.06 -0.10 -0.02 0.01 -0.00 0.01 0.00 0.10 0.04 0.10 -0.01 0.01 -0.00 -0.00 -0.16 0.21 0.08 0.02 -0.07 -0.03 -0.01 0.01 -0.00 0.00 0.00 0.08 0.05 -0.08 0.00 -0.00 0.01 0.03 0.02 -0.05 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.01 0.05 0.06 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.01 0.00 -0.02 0.00 -0.00 0.00 -0.05 -0.00 -0.03 -0.04 0.02 -0.05 0.00 -0.01 0.01 -0.02 0.15 0.07 0.11 -0.03 0.10 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 -0.03 0.06 0.01 -0.00 0.00 0.01 -0.01 0.01 -0.02 0.01 -0.06 -0.08 -0.01 0.00 -0.01 0.26 0.02 -0.04 -0.06 -0.04 0.27 -0.00 0.01 -0.01 -0.07 -0.14 -0.06 0.10 -0.05 0.09 0.00 0.00 -0.00 -0.03 0.05 0.30 -0.10 0.14 -0.22 0.00 0.01 -0.01 -0.11 -0.00 0.02 0.06 -0.03 -0.16 -0.05 0.01 -0.00 -0.11 -0.20 0.15 -0.11 0.24 -0.09 0.07 0.10 -0.25 0.30 0.05 0.19 -0.20 -0.32 0.08 -0.00 0.13 0.03 -0.03 -0.07 -0.05 0.00 -0.00 -0.01 -0.01 -0.09 -0.08 -0.02 0.00 0.00 -0.02 0.11 -0.14 0.00 -0.06 0.13 0.00 0.01 0.01 0.00 0.03 0.01 -0.11 0.01 -0.04 -0.01 0.01 -0.02 0.08 0.06 0.06 0.00 0.00 -0.00 -0.02 0.01 0.03 0.03 -0.02 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 -0.03 0.03 -0.02 0.04 -0.02 0.05 0.00 -0.01 0.01 -0.02 0.01 0.03 0.07 0.04 0.03 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.05 0.01 0.00 -0.00 -0.17 -0.00 0.02 0.04 0.01 -0.19 0.01 0.01 0.01 -0.13 -0.18 -0.03 0.15 -0.07 0.16 -0.00 -0.01 -0.01 0.04 0.06 -0.03 -0.07 -0.03 0.02 0.01 -0.00 0.01 0.07 0.02 0.04 -0.22 -0.31 0.02 -0.10 0.01 -0.00 0.07 -0.01 0.01 0.13 -0.04 -0.08 -0.08 0.03 -0.00 -0.01 -0.05 0.13 -0.11 0.09 -0.05 -0.01 0.21 0.06 0.04 -0.19 -0.07 0.00 0.00 -0.00 0.03 -0.01 0.01 0.01 -0.01 0.01 -0.02 0.40 -0.47 0.01 -0.00 0.01 0.01 0.02 -0.02 0.01 -0.01 -0.00 -0.20 -0.07 -0.11 -0.00 0.00 -0.02 0.01 0.02 0.23 -0.00 -0.00 -0.00 0.11 0.04 -0.02 -0.07 0.08 -0.05 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.04 -0.12 0.00 0.13 -0.01 -0.06 -0.01 0.00 0.00 -0.01 0.05 0.02 0.01 -0.02 0.03 -0.00 0.01 -0.00 -0.01 0.02 -0.00 0.06 -0.15 0.04 0.00 0.00 0.00 -0.01 0.01 -0.04 -0.01 -0.02 0.00 -0.01 -0.00 -0.01 0.13 0.02 -0.01 -0.04 0.00 0.15 0.01 0.01 0.00 -0.10 -0.14 -0.03 0.10 -0.04 0.13 0.00 -0.00 -0.00 -0.04 -0.04 0.11 -0.00 0.02 -0.04 -0.00 -0.02 0.02 0.22 -0.01 -0.06 -0.11 0.19 -0.12 0.02 -0.06 0.04 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.02 -0.05 -0.14 0.04 0.01 -0.17 -0.08 -0.01 0.01 0.01 0.06 -0.02 0.03 -0.00 0.00 -0.00 0.00 -0.04 0.04 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 0.01 -0.00 0.12 0.04 0.03 -0.01 0.00 -0.03 0.06 0.05 0.20 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 -0.01 0.00 0.01 -0.03 0.01 -0.01 0.00 -0.04 0.40 -0.11 -0.37 0.00 0.21 -0.01 -0.02 -0.01 0.09 0.24 0.02 0.28 0.23 0.02 -0.00 -0.00 -0.00 -0.03 -0.02 -0.01 -0.05 0.10 0.01 0.00 -0.01 0.00 -0.01 0.01 0.06 0.06 -0.11 -0.20 -0.01 -0.00 -0.01 0.23 0.02 -0.03 -0.05 -0.02 0.24 -0.00 0.01 0.00 -0.09 -0.08 -0.00 0.22 -0.17 -0.08 -0.00 0.01 -0.00 -0.04 -0.08 -0.01 0.07 -0.03 0.04 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.03 0.02 0.02 0.02 -0.02 -0.01 0.00 0.02 -0.03 0.03 -0.02 0.03 0.02 0.18 0.00 0.01 -0.17 -0.09 0.00 -0.00 -0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.13 0.14 -0.03 0.02 -0.04 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.13 -0.03 -0.10 -0.00 0.01 -0.04 -0.01 0.01 0.17 -0.00 -0.00 0.00 0.06 0.04 0.03 -0.04 0.00 -0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.03 -0.01 0.00 -0.00 0.02 -0.28 0.07 0.24 -0.00 -0.15 -0.00 0.01 0.01 -0.01 -0.07 -0.01 -0.07 -0.03 -0.02 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.04 -0.11 0.04 -0.00 0.01 0.00 -0.00 0.00 -0.05 -0.05 0.06 0.14 -0.02 -0.00 -0.01 0.48 -0.01 -0.09 -0.12 -0.02 0.52 0.01 0.01 0.00 -0.13 -0.09 0.01 0.10 -0.04 0.11 0.00 -0.00 0.00 0.00 0.02 0.04 -0.03 0.01 -0.01 -0.01 0.00 -0.00 -0.02 0.02 0.05 0.03 -0.01 0.06 0.03 0.05 -0.04 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.02 -0.01 0.01 -0.07 0.12 0.11 -0.03 0.07 0.03 0.00 0.02 -0.01 0.16 -0.12 0.01 -0.00 0.00 0.00 -0.00 -0.04 0.04 -0.02 -0.02 0.10 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.08 -0.00 -0.13 0.01 0.00 0.01 -0.03 -0.03 -0.11 0.00 -0.01 0.02 0.36 0.08 -0.09 -0.28 0.17 -0.30 0.00 -0.00 0.01 0.01 -0.01 -0.03 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.14 0.09 -0.10 0.02 -0.02 0.07 -0.00 0.01 -0.00 0.05 -0.00 -0.03 -0.11 -0.08 -0.02 -0.01 0.00 -0.00 -0.12 0.04 -0.06 0.04 -0.15 0.14 0.00 0.00 0.01 -0.03 0.04 -0.05 0.03 -0.18 -0.23 0.00 -0.00 -0.00 -0.02 0.03 0.02 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.14 -0.05 -0.09 -0.10 0.07 0.04 0.01 0.01 -0.01 -0.20 -0.28 0.33 0.04 -0.07 0.11 -0.00 0.00 -0.00 -0.02 -0.02 -0.04 0.01 0.01 0.05 0.05 -0.03 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.04 -0.03 0.06 0.03 -0.03 -0.02 -0.01 0.00 0.01 0.00 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.08 -0.02 0.03 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.02 0.00 -0.01 -0.09 -0.06 0.02 -0.00 0.00 -0.01 -0.18 -0.04 0.05 0.13 -0.08 0.15 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.09 0.20 -0.09 -0.04 -0.03 0.17 0.00 0.03 -0.00 0.08 -0.18 -0.11 -0.33 -0.19 -0.09 0.00 -0.00 0.00 0.07 -0.02 0.04 -0.02 0.07 -0.08 0.00 -0.00 0.00 0.01 -0.02 0.03 0.06 -0.07 -0.17 -0.01 -0.00 -0.00 0.14 -0.02 -0.04 -0.04 0.03 0.17 0.00 -0.00 0.02 0.37 -0.27 -0.31 -0.23 0.19 0.21 -0.01 0.00 0.00 0.05 0.05 -0.19 0.07 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.03 -0.00 0.00 -0.02 -0.02 0.02 -0.02 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.02 0.00 -0.00 0.07 -0.22 -0.15 0.03 -0.05 -0.02 0.01 -0.01 -0.01 -0.03 0.03 -0.01 -0.00 0.00 0.01 -0.00 -0.02 0.00 -0.16 0.07 -0.13 0.02 0.03 -0.03 -0.01 -0.00 -0.00 0.22 0.06 0.13 0.00 0.00 -0.01 -0.04 -0.02 0.07 0.00 0.00 0.01 0.07 -0.08 -0.16 -0.08 0.03 -0.10 0.01 0.00 0.01 0.02 -0.03 -0.08 -0.02 0.05 -0.17 -0.00 0.01 -0.01 0.22 0.02 0.12 -0.11 0.02 0.02 0.01 0.01 0.00 -0.01 -0.14 -0.03 -0.09 -0.02 -0.05 0.01 -0.00 -0.00 -0.24 -0.15 -0.13 -0.17 0.27 0.25 -0.00 -0.01 -0.01 -0.02 0.03 0.02 -0.08 0.13 0.26 -0.00 -0.01 -0.00 0.03 0.24 0.12 -0.01 -0.04 0.06 0.00 -0.00 0.01 0.11 -0.09 -0.10 -0.06 0.05 0.06 0.01 -0.00 -0.00 -0.03 0.00 0.19 -0.11 0.02 -0.02 -0.00 0.00 0.00 -0.02 -0.07 -0.15 -0.02 0.00 -0.01 0.05 -0.12 0.11 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.13 -0.02 0.19 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.10 -0.03 0.06 -0.00 0.00 0.01 -0.00 -0.02 0.01 0.16 -0.05 0.08 0.01 0.03 -0.03 0.02 -0.01 -0.01 0.02 0.00 -0.09 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.18 -0.12 -0.09 0.12 -0.04 0.14 0.00 0.00 0.01 0.01 -0.01 -0.04 0.00 0.05 -0.19 0.00 0.01 0.01 -0.27 -0.19 -0.11 0.19 0.02 -0.19 0.01 -0.00 0.00 -0.08 -0.00 0.05 -0.02 -0.09 0.05 0.01 0.00 -0.00 -0.13 -0.18 -0.07 -0.15 0.29 0.14 0.00 0.02 0.02 0.02 -0.02 -0.06 0.07 -0.15 -0.27 -0.00 -0.01 -0.00 -0.01 0.27 0.14 -0.00 -0.04 0.02 0.01 0.00 -0.01 -0.18 0.11 0.14 0.02 -0.00 0.02 -0.01 0.01 -0.01 -0.01 -0.05 -0.12 0.09 -0.04 0.06 0.00 0.00 -0.00 -0.02 -0.08 -0.16 -0.00 0.02 0.03 0.03 -0.13 0.11 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.02 0.01 0.01 -0.11 -0.26 0.09 0.03 -0.02 -0.01 0.01 0.00 -0.01 0.18 -0.09 0.05 0.00 -0.00 -0.01 0.00 0.02 -0.01 -0.27 0.09 -0.09 -0.01 -0.03 0.03 -0.00 0.00 -0.00 0.22 0.07 0.04 0.00 0.00 -0.01 -0.01 -0.01 0.04 0.01 -0.00 0.01 -0.14 -0.07 0.00 0.08 -0.10 0.04 -0.00 0.00 -0.01 -0.00 -0.02 0.01 -0.03 -0.04 0.18 0.00 0.01 0.00 -0.07 -0.10 -0.02 0.01 0.04 -0.15 0.01 0.00 0.00 -0.10 -0.09 0.03 -0.06 -0.10 0.03 -0.00 -0.02 0.00 0.07 0.12 0.03 -0.09 0.25 -0.20 0.00 -0.00 0.01 -0.05 0.06 -0.09 -0.04 -0.09 -0.02 -0.00 0.01 0.00 0.05 -0.29 -0.15 -0.00 0.04 0.01 0.01 -0.00 -0.01 -0.10 0.06 0.08 -0.04 0.05 0.07 0.01 0.02 -0.02 -0.17 -0.20 0.36 -0.04 -0.02 0.03 -0.00 0.00 0.00 0.02 0.08 0.17 -0.02 -0.05 -0.08 -0.05 0.13 -0.10 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.04 -0.13 -0.09 0.04 -0.02 -0.01 -0.01 0.00 0.01 -0.08 0.06 -0.00 0.00 -0.00 -0.01 0.01 0.03 -0.01 0.32 -0.10 0.11 -0.02 -0.05 0.04 -0.00 0.00 -0.01 0.13 0.03 0.09 0.00 0.00 -0.00 -0.03 -0.02 0.05 -0.00 -0.01 0.00 0.19 0.15 0.13 -0.10 0.07 -0.08 0.01 0.01 0.00 0.03 -0.06 -0.09 -0.07 0.01 0.05 -0.00 0.00 0.00 0.02 -0.05 0.03 -0.02 0.02 -0.06 0.01 0.00 0.00 -0.06 -0.03 0.03 -0.04 -0.08 0.03 0.01 -0.00 -0.01 -0.25 -0.22 -0.14 -0.09 0.06 0.35 -0.00 0.01 -0.00 0.04 -0.06 0.05 0.06 0.02 -0.08 -0.00 0.01 0.01 0.03 -0.28 -0.14 0.02 -0.06 -0.06 0.00 -0.00 -0.01 -0.08 0.05 0.06 -0.04 0.04 0.06 -0.01 -0.01 0.01 0.04 0.02 -0.17 0.10 -0.01 0.00 0.00 -0.01 -0.00 0.03 0.12 0.28 -0.01 -0.09 -0.14 -0.16 0.20 -0.17 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.04 -0.22 -0.10 0.04 -0.01 -0.01 -0.01 0.00 0.00 -0.10 0.03 -0.04 -0.00 0.00 0.01 -0.00 -0.02 0.01 0.33 -0.12 0.17 0.01 0.03 -0.03 -0.01 0.01 0.00 0.16 0.03 0.19 0.00 -0.00 -0.01 -0.00 -0.00 0.04 0.00 0.00 0.02 0.14 -0.12 -0.26 -0.15 0.08 -0.17 -0.00 -0.01 -0.01 -0.01 0.02 0.03 0.01 -0.05 0.15 -0.00 0.01 0.00 0.05 -0.05 0.04 -0.06 0.03 -0.09 0.01 0.00 0.00 -0.09 -0.05 0.04 -0.05 -0.12 0.04 -0.01 -0.01 0.01 0.05 0.43 0.02 0.03 0.01 -0.25 -0.00 0.01 -0.00 0.04 -0.06 0.06 0.05 0.03 -0.05 -0.00 -0.00 -0.01 0.06 -0.01 -0.02 -0.03 0.09 0.11 0.01 -0.00 -0.01 -0.11 0.07 0.09 -0.07 0.07 0.09 -0.01 -0.01 0.01 0.02 -0.01 -0.15 0.12 0.01 -0.02 -0.00 0.01 0.00 -0.02 -0.07 -0.18 -0.01 0.04 0.06 0.13 -0.13 0.12 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.05 0.11 0.10 -0.03 0.04 0.02 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.08 0.03 -0.05 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.10 -0.04 -0.10 -0.01 -0.00 0.01 0.02 0.01 -0.06 -0.00 0.01 0.02 -0.08 -0.19 -0.22 -0.04 -0.18 -0.19 0.01 0.00 -0.00 0.02 -0.03 -0.06 -0.05 -0.04 0.21 0.00 -0.00 -0.00 -0.08 -0.03 -0.04 0.10 -0.02 0.01 -0.01 -0.00 0.00 0.08 -0.00 -0.05 0.06 0.16 -0.06 0.02 -0.01 0.00 -0.24 0.14 -0.15 -0.13 0.23 0.14 0.00 -0.00 0.00 -0.00 0.01 -0.03 -0.01 -0.00 0.02 0.00 0.01 0.01 0.02 -0.31 -0.16 0.02 -0.04 -0.06 -0.01 0.00 0.01 0.13 -0.07 -0.10 0.09 -0.08 -0.12 -0.00 -0.00 0.02 0.08 0.11 -0.14 0.06 0.10 -0.15 -0.01 0.01 0.00 0.01 0.02 0.01 -0.01 0.16 0.24 0.34 0.05 -0.04 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.09 -0.02 -0.08 -0.07 -0.01 -0.01 0.01 -0.00 0.02 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.23 -0.08 0.10 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.10 0.03 0.03 -0.01 -0.00 0.01 0.05 0.04 0.04 0.01 -0.00 -0.00 0.02 -0.00 -0.02 0.02 0.10 0.10 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.03 -0.00 0.01 0.00 0.00 -0.28 0.06 0.16 0.02 -0.19 -0.02 0.00 0.02 0.12 -0.19 -0.11 0.06 0.35 -0.17 -0.00 -0.01 0.00 0.02 0.08 0.01 -0.02 0.06 -0.08 -0.00 0.01 0.00 0.02 -0.03 -0.00 0.02 0.01 -0.03 0.00 0.00 -0.00 -0.07 0.01 0.01 0.01 0.01 -0.06 -0.01 0.01 0.03 0.30 -0.23 -0.26 0.23 -0.20 -0.24 -0.00 0.00 -0.01 -0.08 -0.12 0.07 0.03 -0.07 0.11 0.01 0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.10 -0.16 -0.19 -0.03 0.04 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.02 0.07 -0.06 -0.11 0.03 0.04 0.01 -0.01 0.01 -0.01 0.00 -0.02 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.22 -0.09 0.14 -0.01 -0.02 0.01 -0.01 0.00 0.00 0.03 0.00 0.09 -0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.13 0.04 0.14 0.01 -0.28 -0.20 -0.01 0.00 0.00 -0.01 0.02 0.05 0.04 0.05 -0.19 -0.00 0.00 -0.00 0.13 -0.06 0.09 -0.02 0.01 -0.04 -0.00 0.00 0.00 0.00 -0.04 -0.01 0.02 0.05 -0.02 -0.01 0.01 -0.00 0.21 -0.30 0.14 0.02 -0.00 -0.10 -0.01 0.00 -0.00 0.01 -0.02 0.04 0.02 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.10 0.06 0.01 -0.08 -0.02 -0.00 -0.00 0.00 0.04 -0.00 -0.02 0.00 -0.01 -0.03 -0.01 0.02 0.00 -0.16 -0.23 0.16 0.20 0.05 -0.07 -0.01 -0.01 -0.00 0.05 0.05 0.12 -0.02 0.17 0.27 0.38 0.14 -0.15 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.15 0.26 -0.14 0.00 0.03 0.01 -0.01 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.29 -0.09 0.11 0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.14 -0.04 -0.13 0.00 0.00 0.00 -0.01 -0.01 -0.03 0.00 0.01 -0.01 -0.21 -0.15 -0.09 0.17 0.04 0.30 0.00 0.00 -0.00 0.01 -0.02 -0.03 -0.03 -0.03 0.14 -0.01 -0.01 -0.01 0.27 0.08 0.14 0.03 -0.05 0.20 -0.00 -0.00 -0.01 0.02 0.13 0.02 0.01 -0.06 0.04 0.01 -0.00 -0.00 -0.11 0.04 -0.08 -0.05 0.10 0.09 -0.01 -0.00 -0.01 0.01 -0.02 0.07 -0.01 0.10 0.11 -0.00 0.01 0.00 0.04 -0.19 -0.10 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.05 0.04 0.05 -0.06 0.05 0.05 -0.00 0.01 -0.03 -0.18 -0.25 0.25 0.04 -0.10 0.14 0.00 0.01 -0.00 -0.03 -0.04 -0.09 0.01 0.03 0.03 -0.07 -0.08 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 0.01 -0.00 -0.04 0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.02 0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.02 0.00 0.15 0.08 -0.06 -0.00 -0.00 -0.00 -0.01 0.03 0.05 0.00 -0.04 -0.03 -0.01 0.01 0.00 0.03 -0.20 -0.07 -0.13 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 0.00 0.00 -0.00 0.02 0.02 -0.00 0.00 0.00 -0.00 -0.03 -0.08 -0.01 -0.02 0.02 0.06 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 -0.04 -0.01 -0.21 0.01 0.05 -0.09 0.87 0.25 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.01 0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.03 0.01 0.04 -0.00 0.01 0.03 0.03 0.03 -0.03 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.02 -0.01 0.14 0.06 -0.07 -0.05 -0.01 -0.01 0.00 -0.00 0.01 0.02 0.02 0.00 -0.00 -0.01 0.00 0.00 0.02 0.12 -0.03 0.01 -0.02 -0.04 0.03 0.00 -0.01 0.00 -0.05 -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.02 -0.04 -0.10 -0.11 -0.04 -0.17 -0.20 -0.00 -0.01 0.01 -0.01 0.03 0.01 0.04 0.02 -0.16 -0.00 -0.00 -0.01 0.04 0.07 0.00 0.13 -0.06 0.18 -0.00 -0.00 -0.01 0.03 0.09 0.00 -0.02 -0.07 0.03 0.01 -0.02 0.01 -0.08 0.36 -0.07 -0.07 0.19 -0.13 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.04 0.08 0.14 0.00 -0.01 -0.01 -0.08 0.35 0.19 0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.04 -0.00 0.01 0.01 -0.00 0.02 -0.00 0.00 0.01 -0.02 -0.04 -0.01 0.08 0.04 -0.05 -0.00 -0.02 -0.00 0.07 0.14 0.32 0.01 -0.17 -0.25 -0.11 0.22 -0.21 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.30 -0.09 0.40 0.02 0.02 0.01 -0.01 0.00 -0.02 -0.02 -0.02 -0.04 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.23 -0.10 0.13 0.00 0.00 -0.00 0.03 0.00 -0.01 -0.04 -0.01 -0.07 0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.00 -0.01 -0.00 0.08 0.06 0.04 -0.04 0.09 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.24 0.12 -0.18 -0.11 0.02 -0.02 0.00 -0.00 0.00 -0.01 -0.03 0.00 0.03 0.04 -0.01 -0.01 -0.00 0.00 0.08 -0.12 0.06 -0.03 0.08 -0.06 0.01 -0.02 -0.01 -0.01 0.01 -0.07 -0.17 0.27 0.58 -0.00 0.00 0.00 0.02 -0.06 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.04 0.03 0.03 -0.00 -0.00 -0.00 -0.02 -0.04 0.01 0.03 -0.03 0.04 0.00 0.00 -0.00 -0.02 -0.02 -0.04 -0.00 0.04 0.05 -0.02 -0.03 0.03 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.01 -0.02 -0.04 -0.03 0.04 0.10 0.08 0.02 0.00 0.00 -0.01 0.00 -0.03 -0.02 -0.00 0.00 -0.00 0.00 -0.02 0.03 -0.01 -0.01 0.04 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.08 -0.04 0.09 -0.00 -0.00 -0.00 -0.02 -0.01 -0.02 -0.01 -0.01 -0.01 -0.08 0.06 0.15 0.13 0.06 0.28 0.00 -0.01 0.01 0.00 0.02 -0.03 0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.03 -0.05 -0.01 -0.30 0.09 -0.25 0.01 -0.00 0.01 -0.04 -0.12 -0.00 0.09 0.16 -0.04 0.02 -0.01 -0.00 -0.27 0.42 -0.20 0.07 -0.19 0.16 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.02 0.22 0.10 -0.01 -0.02 0.05 -0.00 -0.01 -0.00 0.04 0.01 -0.01 -0.11 0.08 0.06 0.00 0.00 -0.01 -0.03 -0.03 0.05 -0.03 -0.03 0.05 -0.00 -0.02 -0.01 0.10 0.07 0.15 -0.01 0.14 0.25 0.04 0.12 -0.13 -0.04 -0.07 0.08 0.22 -0.05 -0.08 0.02 0.18 0.14 -0.10 0.09 -0.19 -0.12 -0.21 0.10 -0.02 0.02 0.02 -0.13 -0.08 -0.03 0.00 0.00 -0.01 -0.04 -0.01 -0.04 -0.01 0.01 -0.00 -0.00 -0.18 0.18 -0.02 -0.01 0.05 0.02 0.03 -0.02 0.00 0.02 -0.00 -0.16 -0.06 0.15 -0.00 0.01 -0.01 0.01 0.01 0.00 0.00 0.01 0.00 -0.12 -0.10 -0.08 0.05 -0.11 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.06 0.01 -0.01 0.01 -0.04 0.01 -0.02 -0.32 0.09 -0.21 0.01 0.01 0.01 -0.07 -0.13 0.01 -0.10 -0.10 0.00 0.00 0.01 -0.00 -0.04 -0.06 -0.02 0.07 -0.17 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 -0.02 -0.06 -0.03 0.01 -0.01 -0.04 0.00 0.01 0.00 -0.00 -0.05 -0.03 0.08 -0.06 -0.02 0.00 0.01 -0.00 -0.04 -0.06 0.05 0.02 -0.00 0.01 -0.02 0.00 0.01 0.39 0.03 -0.11 -0.14 -0.26 0.11 0.06 -0.04 0.04 -0.01 -0.01 0.01 0.02 -0.00 -0.01 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.02 -0.00 0.00 0.01 0.00 -0.02 0.19 0.12 0.03 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.09 0.09 -0.02 0.01 -0.02 0.02 0.01 -0.01 -0.00 -0.01 -0.00 0.02 0.00 0.01 0.01 -0.00 -0.01 -0.05 -0.04 -0.02 0.00 -0.00 0.00 0.08 0.01 -0.02 -0.05 0.08 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.03 -0.01 0.01 -0.00 0.01 -0.08 0.02 0.24 -0.05 0.08 -0.02 -0.02 -0.00 0.07 0.10 -0.02 0.38 0.48 -0.05 -0.01 -0.00 0.00 0.07 -0.06 0.05 -0.06 0.14 -0.09 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.05 -0.01 -0.00 0.00 0.05 -0.02 -0.02 -0.01 0.02 0.05 -0.00 -0.03 -0.01 0.04 0.04 0.01 -0.39 0.29 0.28 0.00 -0.00 0.00 0.02 0.03 -0.03 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.25 0.03 -0.03 -0.02 -0.06 0.00 -0.06 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.02 -0.02 0.01 -0.12 -0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.02 -0.03 -0.02 0.01 -0.01 -0.01 -0.24 0.22 -0.01 0.00 0.00 0.05 0.03 -0.02 -0.00 0.00 -0.00 0.09 0.01 0.11 -0.01 -0.00 0.00 0.03 0.02 0.00 -0.01 -0.01 -0.01 0.07 0.11 0.13 0.02 0.14 0.15 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.06 -0.01 0.01 -0.00 -0.09 0.07 -0.06 0.30 -0.08 0.22 -0.01 0.01 -0.01 0.03 0.09 -0.00 -0.13 -0.20 0.04 0.00 -0.01 -0.00 -0.03 0.06 -0.02 -0.02 0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.02 0.05 0.00 -0.00 -0.00 -0.03 0.02 0.02 0.00 0.03 -0.02 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.18 -0.14 -0.15 0.00 -0.00 -0.01 -0.00 -0.00 0.03 -0.04 -0.03 0.04 -0.02 -0.01 0.00 0.63 0.07 -0.08 -0.01 0.03 0.16 0.07 0.00 -0.01 -0.00 0.02 -0.02 -0.02 0.00 0.01 -0.00 -0.02 -0.02 0.02 -0.01 0.03 0.01 0.04 -0.00 -0.03 0.15 0.07 -0.08 -0.04 -0.01 -0.01 0.00 0.00 0.09 -0.02 0.05 -0.02 0.01 -0.00 -0.01 -0.19 0.17 0.04 -0.00 -0.01 0.04 0.03 -0.02 0.00 -0.00 0.00 -0.06 0.01 -0.22 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.01 0.01 -0.10 -0.14 -0.16 -0.00 -0.15 -0.13 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.04 0.01 -0.01 0.00 0.11 -0.03 0.06 -0.39 0.10 -0.25 0.01 0.00 0.01 -0.06 -0.12 0.01 -0.00 0.03 -0.02 -0.00 0.01 0.00 0.05 -0.13 0.04 0.06 -0.13 0.06 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 -0.07 -0.02 0.01 0.05 -0.05 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.04 0.03 0.04 -0.00 0.00 0.01 0.01 0.00 -0.04 0.04 0.03 -0.04 -0.02 0.00 0.01 0.50 0.04 -0.12 0.03 -0.19 -0.29 -0.01 -0.05 0.06 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.04 0.14 0.10 -0.05 0.01 0.01 -0.01 0.00 0.01 0.21 -0.05 0.12 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.02 -0.05 -0.00 -0.00 0.00 0.00 -0.02 0.01 0.00 0.05 -0.34 -0.00 0.00 0.01 0.01 0.01 -0.05 -0.00 -0.02 -0.00 0.23 0.19 0.14 -0.09 0.25 0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.35 -0.05 0.21 -0.22 0.04 -0.08 0.01 0.00 0.00 -0.03 -0.06 0.01 -0.06 -0.07 0.00 -0.01 -0.02 0.00 0.08 0.00 0.05 -0.16 0.38 -0.21 -0.01 0.00 -0.00 -0.01 0.01 0.04 0.03 -0.03 -0.09 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 0.04 -0.03 -0.03 -0.00 -0.01 0.00 0.09 0.11 -0.13 -0.04 -0.03 0.03 0.00 -0.01 -0.01 0.03 0.01 0.02 -0.02 0.13 0.24 -0.01 0.02 -0.03 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.08 -0.09 0.07 -0.09 -0.06 -0.02 -0.01 0.00 0.00 0.18 -0.04 0.10 0.00 0.00 0.00 -0.00 0.00 -0.01 0.06 -0.00 -0.02 0.01 0.02 -0.02 -0.01 -0.00 -0.00 0.23 0.12 -0.20 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.02 -0.07 0.28 0.45 0.07 -0.29 -0.14 0.00 0.00 -0.01 0.00 0.02 -0.02 -0.03 -0.09 0.35 -0.01 0.00 -0.01 0.11 -0.02 0.07 0.12 -0.03 0.09 -0.00 -0.00 -0.00 0.02 0.04 -0.00 0.04 0.04 0.00 0.01 -0.01 -0.01 -0.12 0.13 -0.09 0.04 -0.12 0.11 -0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.02 0.02 0.04 -0.00 -0.00 -0.01 -0.00 0.12 0.05 0.00 -0.05 -0.01 0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.06 0.05 0.07 -0.01 0.01 0.01 -0.00 -0.01 -0.04 0.06 0.04 -0.05 -0.00 0.01 0.01 -0.07 -0.10 -0.21 -0.00 -0.07 -0.13 0.14 -0.12 0.12 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.19 0.22 -0.18 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.32 0.10 -0.15 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.04 0.01 0.01 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.26 -0.14 0.15 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.01 0.05 0.19 0.25 -0.03 -0.09 -0.14 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.03 -0.08 0.33 0.01 -0.01 0.02 -0.24 0.03 -0.14 -0.16 0.05 -0.14 0.00 0.00 0.00 -0.02 -0.05 0.00 0.00 0.02 -0.01 0.00 -0.02 -0.00 0.01 -0.03 0.01 -0.17 0.38 -0.12 0.01 0.00 0.00 0.03 -0.03 -0.00 0.02 -0.01 -0.04 -0.00 -0.00 -0.01 0.01 0.14 0.06 -0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.06 -0.07 0.11 0.01 0.02 -0.02 0.00 -0.00 0.00 0.03 -0.04 -0.08 0.01 -0.01 -0.08 -0.09 -0.06 0.05 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.23 -0.12 0.28 0.18 0.11 0.02 0.00 0.00 -0.01 0.13 -0.10 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.03 0.10 -0.00 -0.01 0.01 0.01 0.02 -0.02 -0.30 -0.17 0.36 -0.01 -0.00 -0.00 -0.01 -0.00 0.02 0.01 0.00 0.01 -0.01 -0.09 -0.12 -0.02 -0.02 -0.05 0.00 0.01 -0.02 0.00 0.01 -0.01 -0.04 -0.10 0.43 -0.01 0.00 -0.02 0.31 -0.04 0.18 0.06 -0.03 0.08 -0.00 0.00 -0.00 0.01 0.03 -0.00 -0.03 -0.04 0.01 -0.00 0.01 -0.00 0.03 -0.18 0.03 -0.00 -0.00 0.06 -0.01 0.00 0.00 -0.01 0.01 0.03 0.02 -0.03 -0.07 -0.00 -0.01 -0.02 0.03 0.23 0.10 -0.01 -0.05 0.05 -0.00 0.00 0.00 0.02 0.02 0.00 0.04 -0.04 -0.06 -0.00 -0.00 0.00 0.02 0.02 -0.05 0.01 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.03 0.07 0.01 -0.01 -0.01 -0.16 0.03 -0.03 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.10 0.01 -0.14 -0.19 -0.12 -0.03 -0.00 -0.00 0.01 -0.03 0.04 0.01 0.00 -0.00 -0.00 0.00 0.02 -0.01 0.04 0.02 -0.06 -0.01 -0.02 0.01 -0.01 -0.01 0.01 0.25 0.13 -0.23 0.01 0.01 0.00 -0.01 -0.00 -0.02 -0.00 -0.01 0.01 0.03 -0.16 -0.25 -0.02 0.20 0.15 0.00 0.01 -0.02 -0.00 0.01 -0.00 -0.05 -0.12 0.51 0.00 -0.00 0.01 -0.16 0.02 -0.09 0.00 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.04 -0.00 -0.01 0.02 -0.00 0.10 -0.24 0.07 0.04 -0.10 0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.02 0.05 0.00 -0.01 -0.02 -0.04 0.29 0.13 0.00 -0.06 -0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.00 -0.05 0.04 0.07 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.03 -0.02 0.03 -0.00 -0.01 -0.01 -0.03 0.07 0.18 -0.01 0.06 0.10 0.13 0.12 -0.13 -0.09 0.01 -0.03 0.03 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.01 0.02 -0.02 0.00 -0.00 0.10 0.08 -0.12 0.63 0.43 0.11 -0.01 -0.00 0.01 0.03 0.03 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.06 0.01 -0.05 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.19 0.11 -0.26 -0.02 -0.01 0.00 0.01 0.01 -0.02 0.01 0.01 0.00 -0.03 -0.03 -0.02 -0.00 -0.10 -0.10 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.08 0.00 -0.00 0.01 -0.11 0.03 -0.07 -0.04 0.01 -0.03 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.06 -0.06 -0.01 -0.00 0.00 -0.00 0.02 -0.02 0.01 0.02 -0.05 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.02 0.05 -0.01 -0.00 -0.00 0.12 0.06 0.01 -0.02 0.00 0.11 -0.01 -0.00 0.00 0.07 0.07 -0.00 0.11 -0.10 -0.18 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.02 0.01 -0.01 0.01 0.00 -0.00 -0.04 -0.01 -0.00 -0.03 -0.11 0.13 -0.22 -0.03 0.03 -0.11 0.03 -0.08 0.03 -0.01 -0.00 0.01 0.01 0.01 0.02 -0.01 0.03 0.01 -0.00 0.02 -0.02 0.04 0.04 0.12 0.07 0.02 0.00 -0.00 -0.00 -0.03 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.11 -0.06 0.07 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.02 -0.02 -0.01 0.08 0.05 0.03 0.01 0.24 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 0.03 -0.00 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.03 0.07 -0.03 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.01 0.01 -0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 0.00 -0.03 -0.04 0.05 -0.02 0.01 0.01 -0.12 -0.01 0.01 0.02 -0.31 -0.38 0.72 0.08 -0.07 0.25 -0.11 0.17 -0.07 0.02 0.01 -0.02 -0.00 -0.02 -0.04 0.03 -0.07 -0.02 0.01 0.00 0.04 0.04 -0.05 0.51 0.33 0.08 -0.00 0.00 0.00 0.05 -0.04 0.01 -0.00 0.00 0.00 0.00 0.03 -0.03 -0.01 0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.05 0.03 -0.08 -0.02 -0.01 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.00 0.03 0.01 -0.00 0.00 0.11 0.11 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 0.00 -0.00 0.00 -0.04 0.01 -0.02 -0.03 0.01 -0.02 -0.00 0.00 -0.00 -0.03 -0.03 0.01 -0.02 -0.05 0.02 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.03 -0.01 -0.00 0.00 0.06 0.04 0.01 -0.01 0.02 0.04 -0.01 -0.00 -0.00 0.06 0.03 -0.01 0.07 -0.07 -0.10 0.00 -0.01 -0.01 0.02 0.03 0.00 -0.02 0.00 -0.00 -0.02 -0.00 0.01 0.04 0.01 0.01 0.01 0.04 -0.52 0.36 0.05 -0.04 -0.21 0.43 0.61 0.11 -0.05 -0.07 -0.01 -0.18 -0.15 -0.00 -0.01 -0.07 0.03 0.00 -0.06 -0.13 -0.01 0.18 0.03 0.02 0.00 0.01 -0.01 -0.00 -0.28 0.17 -0.08 -0.00 0.00 0.00 0.01 0.02 -0.01 0.05 0.00 -0.02 -0.04 -0.00 0.00 0.01 0.00 -0.01 -0.09 -0.04 0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.12 -0.02 0.07 0.01 -0.01 0.02 0.00 -0.00 0.01 0.05 0.02 -0.03 -0.02 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.02 -0.03 0.04 0.03 -0.03 -0.09 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.04 -0.08 -0.06 0.03 -0.02 0.04 -0.00 -0.01 -0.01 -0.01 0.01 0.07 -0.01 0.03 -0.04 -0.00 0.01 0.00 -0.09 -0.01 -0.00 0.02 -0.23 -0.00 0.10 0.01 -0.00 -0.02 0.03 0.02 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.24 0.08 -0.33 -0.03 -0.03 -0.01 -0.02 0.01 -0.02 0.65 -0.25 0.29 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 -0.04 0.07 -0.00 -0.00 0.00 -0.02 0.01 -0.00 -0.14 -0.09 0.27 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.00 0.02 0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.20 0.04 -0.12 -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.06 -0.02 0.00 -0.01 -0.00 -0.04 0.06 -0.07 -0.06 0.07 0.19 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.06 0.07 -0.12 0.02 -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 0.41 0.66 -0.31 -0.05 -0.02 0.03 -0.02 -0.06 -0.02 -0.01 -0.04 0.04 -0.22 -0.31 0.15 0.01 -0.02 -0.02 0.20 0.16 -0.01 0.00 0.01 0.00 -0.00 -0.03 -0.02 0.00 -0.00 -0.00 -0.01 -0.01 0.02 -0.02 -0.01 0.01 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 0.06 -0.03 -0.00 -0.01 0.01 -0.01 -0.01 0.07 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.02 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.02 -0.00 0.00 0.03 0.00 0.01 -0.16 0.06 -0.05 -0.03 -0.00 0.01 -0.09 0.01 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.03 -0.05 0.03 0.01 -0.04 -0.01 0.05 0.04 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 -0.03 -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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.11 0.02 0.01 0.08 0.86 -0.46 -0.04 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.05 -0.04 -0.03 0.13 0.56 0.46 -0.00 -0.00 0.00 0.67 0.06 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 -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 -0.02 -0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.01 -0.05 -0.04 -0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 0.01 -0.06 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 -0.02 -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 0.02 0.06 0.00 0.04 0.01 -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.06 0.03 -0.32 0.44 -0.33 0.51 0.52 -0.16 -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 0.01 0.01 0.01 0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.19 0.07 -0.37 0.53 0.15 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.15 0.03 0.12 0.03 -0.03 -0.04 -0.06 -0.04 0.55 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.02 0.09 0.03 -0.12 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.02 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.08 0.04 0.04 -0.03 0.01 0.09 -0.00 -0.00 0.00 -0.02 0.02 -0.02 0.02 0.02 -0.01 0.01 0.01 -0.01 -0.21 -0.05 0.01 -0.02 -0.10 0.18 -0.01 -0.00 -0.01 0.09 0.09 0.01 0.07 -0.04 0.10 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.00 0.00 0.02 -0.01 0.03 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.05 0.02 -0.08 0.10 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 0.01 0.03 0.01 -0.01 -0.01 -0.01 -0.01 0.11 -0.00 0.00 -0.00 0.02 0.01 -0.01 0.01 -0.02 0.01 -0.05 0.04 0.01 0.09 -0.57 -0.13 0.76 -0.09 0.06 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.03 0.01 -0.01 0.01 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.07 0.03 -0.00 0.01 -0.00 -0.07 -0.00 -0.00 -0.00 0.02 0.02 0.00 0.02 -0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 -0.00 -0.00 0.01 0.00 -0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.21 0.08 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 -0.01 -0.02 0.17 0.03 0.16 -0.00 0.01 0.01 0.01 0.01 -0.10 -0.02 0.01 -0.00 0.19 0.04 -0.07 0.12 -0.15 0.07 0.00 -0.00 -0.00 -0.01 0.04 0.03 -0.05 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.02 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.02 -0.04 0.47 0.26 0.24 -0.16 0.10 0.53 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.12 0.02 -0.01 0.01 0.06 -0.10 0.00 0.00 0.00 -0.03 -0.03 -0.00 -0.02 0.01 -0.03 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.07 0.16 0.00 0.01 -0.00 0.03 -0.15 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 0.01 -0.04 -0.02 -0.09 0.10 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.03 -0.00 -0.04 0.01 -0.01 -0.01 -0.01 -0.01 0.11 -0.01 0.00 -0.00 0.06 0.04 0.01 0.04 -0.06 0.01 0.01 -0.00 0.00 -0.01 0.05 0.01 -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 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.01 0.01 0.02 -0.17 -0.10 -0.09 0.05 -0.03 -0.20 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.17 0.04 -0.02 0.02 0.10 -0.16 -0.00 -0.00 -0.00 0.04 0.04 0.00 0.03 -0.02 0.05 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.02 0.01 -0.01 -0.01 0.01 -0.05 0.03 0.26 0.53 -0.00 -0.01 0.01 0.11 -0.50 0.41 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.13 -0.05 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.04 0.00 0.00 -0.00 0.01 0.01 0.01 -0.10 -0.02 -0.09 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.05 0.02 0.00 0.57 0.11 -0.24 0.34 -0.44 0.22 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.02 0.00 -0.02 -0.00 0.00 -0.00 0.02 -0.02 -0.02 0.02 -0.01 0.02 -0.00 0.00 0.01 -0.08 -0.07 -0.04 0.02 0.00 -0.12 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.13 -0.03 0.00 -0.02 -0.07 0.12 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.05 0.18 0.16 0.23 -0.05 0.07 0.00 -0.00 0.01 -0.00 -0.03 -0.06 0.00 -0.00 -0.00 -0.02 0.05 -0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.03 0.01 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 -0.01 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 -0.01 -0.00 0.03 0.00 -0.00 -0.00 -0.04 -0.01 0.02 -0.02 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.05 0.04 -0.01 0.42 -0.38 -0.35 0.43 -0.29 0.50 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.03 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 0.00 -0.11 -0.06 0.01 -0.07 0.04 -0.10 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 0.00 0.00 -0.00 0.01 -0.03 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.05 0.02 -0.02 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.10 -0.07 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.04 -0.10 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.00 0.04 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.02 -0.01 -0.00 -0.21 -0.04 0.09 -0.13 0.15 -0.09 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.03 0.00 -0.02 -0.00 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 0.02 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 -0.02 0.01 -0.01 -0.01 0.01 0.12 0.03 -0.00 0.01 0.06 -0.11 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.01 0.02 -0.05 -0.02 -0.03 0.18 0.50 0.38 0.58 -0.15 0.20 -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 -0.01 0.09 0.03 -0.10 0.08 0.02 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 -0.01 0.02 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.07 0.01 0.06 0.00 -0.01 -0.01 -0.00 -0.00 0.09 -0.01 0.00 0.00 0.13 0.02 -0.06 0.07 -0.09 0.05 0.01 -0.00 -0.00 -0.01 0.06 0.01 -0.09 0.01 0.00 0.02 0.02 -0.02 -0.09 -0.31 0.01 -0.18 -0.02 0.27 -0.00 0.00 -0.00 0.03 -0.02 -0.02 0.02 -0.03 0.03 0.00 0.00 0.01 -0.08 -0.05 -0.04 0.03 -0.01 -0.10 -0.00 -0.00 0.00 -0.02 0.02 -0.03 0.03 0.03 -0.01 -0.03 -0.02 0.03 0.50 0.10 -0.01 0.06 0.26 -0.45 -0.01 -0.00 -0.01 0.06 0.07 0.01 0.05 -0.03 0.08 0.00 0.00 0.00 -0.02 -0.06 -0.04 -0.06 0.02 -0.02 0.00 -0.01 0.02 -0.02 -0.09 -0.19 0.00 -0.00 0.02 -0.05 0.18 -0.15 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 0.06 0.02 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 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 0.00 0.00 0.03 0.00 -0.02 0.02 -0.02 0.01 0.00 -0.00 -0.00 -0.01 0.03 0.01 -0.05 0.00 0.00 -0.03 -0.04 0.03 0.18 0.59 -0.01 0.34 0.05 -0.51 -0.00 0.00 0.00 0.02 -0.03 -0.02 0.03 0.01 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 0.03 -0.04 0.04 -0.05 -0.04 0.02 -0.02 -0.01 0.01 0.28 0.06 -0.01 0.03 0.15 -0.25 -0.01 -0.00 -0.00 0.05 0.06 0.01 0.04 -0.02 0.07 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.02 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.05 -0.10 0.00 -0.01 0.01 -0.02 0.09 -0.08 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.15 -0.06 0.05 -0.13 -0.04 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 0.01 0.01 -0.12 -0.02 -0.10 -0.01 0.01 0.00 0.02 0.02 -0.10 0.00 -0.00 -0.00 -0.03 -0.01 0.01 -0.02 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.04 -0.00 -0.02 -0.00 0.04 -0.01 0.01 -0.00 0.07 -0.06 -0.06 0.07 -0.05 0.08 -0.00 -0.00 -0.01 0.08 0.05 0.04 -0.03 0.02 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 -0.06 -0.01 0.00 -0.01 -0.03 0.06 -0.05 -0.02 -0.04 0.42 0.45 0.05 0.36 -0.18 0.55 0.00 -0.00 0.00 -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 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.06 0.47 0.17 0.11 -0.17 -0.04 0.01 -0.01 -0.03 0.01 0.31 0.21 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.15 -0.08 0.27 -0.00 -0.00 0.00 -0.02 -0.03 -0.03 0.39 0.08 0.31 -0.01 0.01 0.01 0.02 0.01 -0.15 -0.00 0.00 -0.00 0.04 0.01 -0.01 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.04 0.07 0.01 0.01 0.01 -0.07 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 0.02 -0.18 -0.10 -0.09 0.06 -0.04 -0.22 -0.00 -0.00 0.00 -0.02 0.02 -0.02 0.03 0.03 -0.01 0.01 0.00 -0.00 -0.09 -0.02 0.00 -0.01 -0.05 0.08 -0.01 -0.00 -0.01 0.08 0.08 0.01 0.07 -0.03 0.10 -0.00 -0.00 -0.00 0.02 0.05 0.04 0.06 -0.02 0.02 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.03 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.05 -0.27 -0.11 -0.07 0.10 0.03 0.01 -0.02 -0.05 0.01 0.53 0.36 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.26 -0.14 0.45 -0.00 0.00 -0.00 0.01 0.01 0.02 -0.19 -0.02 -0.24 0.00 -0.01 -0.01 -0.01 -0.01 0.10 0.00 -0.00 -0.00 -0.03 -0.01 0.01 -0.02 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.02 0.00 -0.00 0.00 -0.02 0.02 0.02 -0.02 0.01 -0.02 -0.00 -0.00 -0.01 0.10 0.06 0.05 -0.03 0.02 0.13 -0.00 -0.00 0.00 -0.02 0.03 -0.02 0.04 0.04 -0.01 -0.00 -0.00 0.00 0.06 0.01 -0.00 0.01 0.03 -0.05 0.01 0.00 0.00 -0.05 -0.06 -0.01 -0.04 0.02 -0.07 -0.01 -0.00 -0.01 0.03 0.08 0.06 0.09 -0.02 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 0.00 -0.00 -0.03 0.01 -0.02 0.00 -0.04 0.13 -0.00 -0.00 0.00 0.02 0.02 -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.08 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.01 0.01 -0.08 0.18 -0.12 -0.11 -0.06 0.07 0.00 0.01 0.00 0.01 0.00 0.00 -0.01 -0.08 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.00 -0.05 -0.05 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 0.04 -0.02 -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 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.04 0.02 -0.13 0.04 0.46 -0.02 0.02 0.02 0.53 0.60 -0.00 -0.00 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 -0.09 0.02 -0.06 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.08 0.08 -0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.04 -0.10 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.05 0.03 -0.00 0.00 -0.00 -0.00 -0.06 -0.01 -0.07 -0.03 -0.01 0.11 0.87 0.23 0.00 0.00 -0.00 -0.01 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 -0.01 -0.10 0.01 0.17 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.02 0.06 -0.13 0.12 0.01 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.18 -0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.41 -0.07 0.30 0.00 -0.05 0.15 0.02 0.02 -0.03 -0.36 -0.36 0.51 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.04 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.02 -0.10 0.26 0.03 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 0.03 0.21 0.05 -0.00 -0.01 0.00 0.05 -0.02 -0.09 0.01 0.12 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.02 0.00 0.04 0.05 0.02 0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.08 0.06 -0.06 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.05 -0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.02 -0.00 0.00 0.00 0.06 0.06 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.17 0.58 -0.00 -0.00 0.00 0.03 0.03 -0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.04 -0.03 0.04 -0.01 -0.01 0.01 -0.01 0.08 -0.18 0.12 0.08 0.05 -0.05 0.00 0.01 0.00 0.01 0.00 0.00 -0.02 -0.14 -0.04 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 -0.01 -0.00 -0.00 -0.00 -0.02 0.00 0.03 0.06 0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.04 -0.08 -0.08 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 0.06 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 -0.05 0.03 0.60 -0.02 0.03 -0.01 -0.26 -0.29 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 -0.41 0.06 -0.31 0.02 -0.15 0.50 0.01 0.00 -0.01 -0.09 -0.09 0.13 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.03 -0.02 0.02 -0.10 0.29 0.05 0.00 0.01 -0.03 -0.02 0.04 -0.01 0.01 -0.01 0.01 -0.08 0.20 -0.13 -0.03 -0.02 0.02 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.02 0.11 0.03 0.00 0.01 -0.00 -0.06 0.03 0.11 -0.03 -0.21 -0.05 -0.00 0.00 0.00 0.00 -0.00 0.01 0.03 -0.03 -0.04 0.01 0.01 0.01 0.04 -0.00 -0.06 -0.15 -0.07 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.02 -0.05 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 0.07 -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 -0.01 0.06 -0.03 -0.34 0.01 -0.02 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 -0.02 0.00 -0.00 -0.25 0.04 -0.18 -0.01 0.10 -0.33 0.01 0.01 -0.02 -0.24 -0.24 0.34 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.03 0.00 0.00 -0.00 -0.00 0.01 0.01 0.02 0.11 -0.26 -0.04 -0.00 -0.01 0.02 0.02 -0.03 0.01 0.00 -0.02 0.01 -0.09 0.21 -0.13 0.04 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 0.00 0.01 -0.00 -0.02 0.01 0.05 -0.01 -0.11 -0.03 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.02 0.01 0.01 0.08 -0.00 -0.13 -0.32 -0.15 -0.05 0.00 -0.00 0.00 0.01 0.00 0.00 -0.06 0.04 -0.04 -0.00 -0.00 0.00 -0.01 0.04 -0.07 0.05 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.04 0.01 -0.00 0.00 -0.00 0.05 -0.03 0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.02 0.01 0.36 -0.01 0.02 -0.01 -0.18 -0.20 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.29 -0.05 0.22 0.01 -0.05 0.16 -0.01 -0.01 0.01 0.14 0.14 -0.20 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.01 0.01 -0.06 -0.01 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.02 -0.03 0.02 -0.23 0.55 -0.36 -0.06 -0.04 0.05 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.11 0.03 -0.00 -0.01 0.00 0.05 -0.02 -0.09 0.03 0.20 0.05 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.02 0.02 0.03 -0.00 0.01 0.02 0.16 -0.01 -0.27 -0.11 -0.05 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.02 0.00 -0.00 0.00 -0.01 0.03 -0.06 -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 -0.03 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.07 -0.02 -0.02 -0.00 -0.00 -0.00 -0.16 -0.18 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.15 0.03 -0.10 0.01 -0.06 0.21 0.00 0.00 -0.00 -0.05 -0.04 0.07 -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 0.02 0.01 0.13 -0.34 -0.06 -0.00 0.00 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.00 0.06 -0.14 0.09 0.06 0.04 -0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.04 -0.00 0.06 -0.04 -0.10 0.09 0.67 0.15 0.01 -0.01 -0.01 -0.03 0.01 -0.06 -0.15 0.14 0.22 0.02 0.01 -0.00 -0.03 0.01 0.06 -0.26 -0.12 -0.04 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.04 0.03 -0.02 0.00 0.00 -0.00 0.01 -0.03 0.05 -0.06 -0.00 -0.02 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.02 -0.04 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.03 -0.01 -0.18 0.00 -0.01 0.00 0.06 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.22 0.03 -0.17 -0.01 0.07 -0.23 -0.00 -0.00 0.00 0.02 0.01 -0.02 0.00 -0.00 0.00 -0.02 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.03 -0.04 0.00 -0.21 0.56 0.10 -0.00 -0.00 0.01 0.02 -0.03 0.01 0.01 -0.00 0.00 -0.04 0.10 -0.07 -0.07 -0.04 0.04 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.03 -0.01 -0.05 0.01 0.08 0.06 0.41 0.09 0.01 -0.01 -0.01 -0.02 0.00 -0.04 -0.15 0.15 0.23 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.21 0.10 0.03 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.06 -0.05 0.04 -0.00 -0.00 0.00 -0.01 0.03 -0.05 0.03 0.00 0.01 0.01 0.01 0.00 -0.01 0.02 -0.02 -0.11 -0.16 0.03 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.01 -0.06 0.02 0.23 -0.00 0.01 -0.00 -0.05 -0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.02 0.00 -0.01 0.03 0.00 0.00 -0.00 -0.03 -0.03 0.04 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.05 -0.13 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 0.00 -0.01 -0.08 0.21 -0.14 -0.43 -0.22 0.27 0.00 0.01 0.00 -0.01 0.00 0.00 -0.02 -0.13 -0.03 -0.00 0.00 0.00 0.02 -0.01 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.04 -0.36 0.03 0.61 0.11 0.04 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.07 0.05 -0.05 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.04 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.09 0.05 -0.01 0.00 -0.03 -0.02 0.00 0.00 0.01 -0.02 0.09 -0.03 0.01 -0.00 0.00 -0.00 -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 0.05 -0.01 0.03 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 0.00 -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 -0.03 -0.03 0.03 -0.13 0.26 -0.17 0.55 0.27 -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.06 -0.02 0.00 -0.00 -0.01 -0.07 0.03 0.11 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.02 -0.00 -0.03 -0.25 0.02 0.43 0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.03 -0.01 -0.00 0.15 -0.11 0.10 0.00 0.00 -0.01 0.02 -0.05 0.09 -0.04 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.01 0.00 -0.00 0.16 -0.08 0.03 -0.00 0.05 0.03 -0.00 0.01 -0.00 0.02 -0.12 0.05 -0.01 0.00 -0.00 -0.00 0.03 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.14 -0.02 0.10 0.00 -0.02 0.05 0.01 0.00 -0.00 -0.07 -0.05 0.08 -0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.04 -0.12 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.04 -0.07 0.05 -0.18 -0.09 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.03 -0.31 0.12 0.52 0.00 -0.03 -0.02 0.01 -0.00 -0.01 -0.01 0.00 -0.02 -0.07 0.07 0.11 0.00 0.00 0.00 0.02 -0.00 -0.04 -0.08 -0.04 -0.01 -0.02 0.02 -0.02 -0.09 -0.04 0.00 0.46 -0.33 0.30 0.00 -0.00 0.00 -0.01 0.03 -0.05 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.04 -0.06 0.01 -0.00 0.00 -0.00 0.06 -0.03 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.02 0.13 -0.06 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 0.01 -0.03 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.07 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.03 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 -0.01 0.01 -0.01 0.02 -0.01 0.15 0.08 -0.10 0.00 0.01 0.00 0.01 0.00 0.00 -0.01 -0.10 -0.03 -0.00 -0.00 0.00 0.03 -0.01 -0.05 0.01 0.05 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.03 -0.04 -0.01 -0.00 -0.00 -0.01 -0.00 0.02 0.11 0.05 0.02 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.03 0.02 -0.02 -0.00 -0.01 0.02 -0.07 0.21 -0.42 0.14 0.00 0.04 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.04 0.06 -0.01 -0.00 0.00 -0.00 0.04 -0.02 0.01 -0.00 0.01 0.01 0.01 -0.05 0.01 -0.14 0.72 -0.31 0.07 -0.00 0.00 0.00 0.08 0.11 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.05 -0.00 0.03 0.01 -0.03 0.10 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.04 -0.11 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.01 0.05 0.03 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.04 0.01 0.00 0.02 0.01 0.01 0.00 -0.02 -0.05 -0.38 -0.08 0.02 -0.02 -0.03 -0.00 -0.00 -0.04 -0.30 0.29 0.45 -0.01 -0.00 0.00 0.02 -0.00 -0.04 0.11 0.05 0.02 0.01 -0.01 0.01 0.03 0.01 0.00 -0.16 0.12 -0.11 0.01 0.00 0.00 0.01 -0.00 0.01 -0.18 -0.01 -0.04 0.02 0.03 0.00 -0.02 0.06 -0.08 -0.31 -0.45 0.07 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 0.11 -0.05 -0.02 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 -0.14 0.04 -0.11 0.00 -0.02 0.06 0.01 0.00 -0.01 -0.10 -0.10 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.03 0.01 0.00 -0.00 -0.00 0.00 0.02 0.01 0.14 -0.35 -0.06 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.05 0.12 -0.08 0.03 0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.05 0.01 0.00 -0.01 -0.01 -0.07 0.03 0.13 0.02 0.11 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 -0.02 -0.04 -0.05 -0.02 0.00 0.09 -0.02 -0.19 0.70 0.33 0.12 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.02 -0.00 0.00 -0.00 0.01 -0.04 0.08 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.07 0.11 -0.02 -0.00 0.00 -0.00 0.05 -0.03 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.02 -0.09 0.04 -0.07 0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.11 -0.02 0.08 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.06 0.05 -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.02 0.01 0.00 -0.00 -0.00 -0.01 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 0.05 0.03 -0.03 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.06 -0.01 0.02 -0.01 -0.03 -0.31 0.12 0.53 0.01 0.04 -0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.03 -0.08 0.08 0.12 0.01 0.00 -0.00 -0.02 0.00 0.04 -0.09 -0.04 -0.01 0.02 -0.02 0.02 0.05 0.02 0.01 -0.41 0.29 -0.27 -0.01 -0.01 0.00 -0.03 0.07 -0.13 0.25 0.02 0.06 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.14 0.21 -0.04 0.01 -0.00 0.00 -0.13 0.07 -0.02 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.02 -0.11 0.05 -0.04 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 -0.03 0.01 -0.02 -0.00 -0.02 0.06 0.00 0.00 -0.00 -0.03 -0.02 0.03 0.00 0.00 0.00 -0.03 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.02 -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.03 -0.02 0.02 0.00 0.01 0.00 0.01 0.00 0.00 -0.02 -0.11 -0.03 -0.01 0.01 0.02 0.16 -0.06 -0.26 -0.03 -0.17 -0.03 0.01 -0.01 -0.02 -0.01 0.00 -0.04 -0.20 0.19 0.30 -0.00 -0.00 -0.00 -0.01 0.00 0.02 0.03 0.01 0.00 -0.01 0.01 -0.01 -0.02 -0.01 -0.00 0.18 -0.13 0.12 -0.03 -0.01 0.01 -0.07 0.17 -0.34 0.51 0.03 0.11 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.15 0.21 -0.04 -0.00 0.00 -0.00 0.06 -0.03 0.01 -0.00 0.01 0.00 -0.00 0.02 -0.01 0.05 -0.29 0.12 -0.11 0.00 -0.01 -0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.02 0.05 0.01 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.07 0.02 -0.00 0.01 0.01 0.04 -0.01 -0.06 -0.02 -0.11 -0.02 0.01 -0.01 -0.02 -0.01 0.00 -0.04 -0.21 0.19 0.31 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.02 -0.00 0.02 -0.03 0.08 -0.24 0.48 -0.08 0.00 -0.03 -0.02 -0.03 0.00 0.01 -0.04 0.03 0.34 0.48 -0.08 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.06 0.29 -0.12 0.14 -0.00 0.01 0.00 -0.04 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.13 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 0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 -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 -0.03 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 0.06 -0.06 -0.09 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 0.01 -0.04 0.05 -0.22 0.43 0.74 0.06 0.14 0.01 0.02 -0.00 -0.01 0.03 -0.03 -0.19 -0.28 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.03 0.17 -0.06 0.07 -0.00 0.00 0.00 -0.04 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.05 0.06 -0.09 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.07 0.03 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 0.01 0.01 -0.01 0.01 -0.02 0.01 -0.15 -0.07 0.09 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.04 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 -0.03 -0.01 -0.00 0.01 -0.01 0.01 0.03 0.01 0.00 -0.14 0.10 -0.09 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 0.02 -0.01 0.82 -0.44 0.14 -0.02 0.13 0.07 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 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 -0.00 -0.00 0.92 -0.12 -0.15 0.00 0.00 0.00 -0.05 0.20 0.17 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 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.01 0.01 0.03 -0.01 0.01 -0.00 -0.15 -0.10 -0.00 0.01 -0.00 0.01 -0.09 0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 0.04 0.23 0.08 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 0.05 0.01 -0.02 0.01 -0.05 0.41 -0.22 0.78 -0.04 0.04 0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.12 0.16 -0.26 0.03 0.04 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.03 0.14 0.05 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.02 0.13 -0.07 0.25 -0.05 0.04 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 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.02 0.03 -0.05 0.34 -0.44 0.73 -0.06 -0.06 -0.01 0.00 -0.01 -0.01 -0.04 0.01 -0.01 0.00 0.15 0.09 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 0.00 0.03 0.01 -0.01 -0.00 0.02 -0.01 -0.00 -0.00 0.15 -0.02 -0.03 -0.07 -0.40 -0.15 -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 0.00 -0.00 0.00 -0.03 -0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 -0.02 0.07 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 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 0.01 -0.05 0.06 -0.10 0.01 0.01 0.00 0.00 -0.05 -0.03 -0.08 0.02 -0.03 0.02 0.73 0.46 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.05 -0.02 0.01 -0.01 -0.03 -0.00 -0.00 -0.00 0.08 -0.01 -0.01 0.15 0.78 0.30 -0.01 0.03 0.02 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.02 -0.12 0.07 -0.23 0.02 -0.02 -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 -0.02 -0.01 0.00 0.04 -0.03 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.05 0.06 -0.11 0.01 0.01 0.00 0.01 -0.02 -0.01 -0.11 0.05 -0.03 0.01 0.34 0.21 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.07 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.03 -0.05 0.01 -0.54 0.83 -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 0.03 0.00 0.01 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 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.02 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 -0.06 -0.03 0.00 0.84 0.52 -0.06 0.06 -0.07 0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.01 0.97 0.15 0.13 -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 -0.01 0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 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 0.02 -0.05 -0.04 -0.26 0.01 0.02 -0.00 -0.00 -0.00 -0.10 0.73 0.62 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 5 9 9 9 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 11.00931 18.99840 18.99840 18.99840 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 337.15516 0.99958 -0.02755 -0.00867 0.02775 0.99932 0.02442 0.00799 -0.02465 0.99966 asymmetric 1 0.01042 0.00884 0.00816 0.21713 0.18418 0.16997 981268.1 32.76 41.84 47.90 56.77 58.13 68.61 71.14 76.52 80.70 88.71 91.54 99.27 104.79 107.65 111.30 120.07 135.00 160.35 171.88 180.98 200.48 207.17 211.77 216.02 235.54 237.55 246.10 253.92 261.58 266.74 278.41 283.44 287.46 301.44 307.83 316.77 326.56 328.28 331.53 340.42 348.66 352.14 369.34 386.85 395.42 414.14 504.92 512.96 528.09 534.66 564.84 597.85 613.00 634.21 639.38 642.92 663.30 666.61 680.86 728.99 737.29 750.33 770.04 779.76 787.31 802.17 828.48 836.14 854.21 872.42 877.46 900.01 905.53 935.24 945.26 975.33 1002.72 1021.90 1046.52 1063.03 1070.86 1074.56 1079.29 1099.37 1124.06 1158.30 1195.70 1198.34 1226.08 1278.68 1305.10 1334.95 1362.35 1539.68 1815.52 2307.87 2318.67 2330.72 2338.85 2354.90 2359.93 2364.88 2367.17 2371.19 2374.74 2375.45 2382.98 2392.19 2397.52 4734.82 4793.62 4801.98 4827.52 4870.32 4882.88 4906.94 4975.20 4990.97 4995.27 5013.76 5029.54 5038.73 5044.66 5052.65 5082.00 5087.60 5104.10 5135.81 5160.09 5311.05 5347.54 5360.58 5365.70 5380.42 5495.05 5511.06 5511.13 5512.80 0.373745 0.415251 0.416195 0.298900 -1471.121941 -1471.080436 -1471.079492 -1471.196787 260.574 141.820 246.869 0.000 0.000 0.000 0.889 2.981 43.341 0.889 2.981 35.113 258.796 135.858 168.415 1 0.593 1.985 6.377 2 0.593 1.984 5.891 3 0.594 1.983 5.623 4 0.594 1.981 5.286 5 0.594 1.981 5.239 6 0.595 1.978 4.911 7 0.595 1.978 4.839 8 0.596 1.976 4.695 9 0.596 1.975 4.590 10 0.597 1.973 4.403 11 0.597 1.972 4.342 12 0.598 1.969 4.182 13 0.599 1.967 4.075 14 0.599 1.966 4.022 15 0.599 1.964 3.957 16 0.600 1.961 3.808 17 0.603 1.954 3.579 18 0.607 1.940 3.244 19 0.609 1.933 3.109 20 0.611 1.927 3.009 21 0.615 1.914 2.813 22 0.616 1.909 2.750 23 0.617 1.906 2.708 24 0.618 1.903 2.670 25 0.623 1.887 2.507 26 0.624 1.885 2.490 27 0.626 1.878 2.424 28 0.628 1.871 2.365 29 0.630 1.864 2.310 30 0.631 1.860 2.273 31 0.635 1.849 2.194 32 0.636 1.844 2.161 33 0.638 1.840 2.135 34 0.642 1.826 2.048 35 0.644 1.820 2.010 36 0.647 1.810 1.958 37 0.651 1.800 1.903 38 0.651 1.798 1.893 39 0.652 1.795 1.876 40 0.655 1.785 1.828 41 0.659 1.775 1.786 42 0.660 1.771 1.768 43 0.666 1.751 1.684 44 0.673 1.730 1.603 45 0.677 1.720 1.566 46 0.685 1.696 1.487 47 0.728 1.573 1.162 48 0.732 1.562 1.137 49 0.740 1.540 1.092 50 0.743 1.530 1.073 51 0.760 1.486 0.990 52 0.779 1.437 0.907 53 0.788 1.414 0.872 54 0.801 1.381 0.824 55 0.804 1.373 0.813 56 0.806 1.368 0.805 57 0.819 1.337 0.763 58 0.821 1.331 0.757 59 0.830 1.309 0.729 60 0.862 1.235 0.642 61 0.868 1.222 0.628 62 0.876 1.202 0.606 63 0.890 1.172 0.576 64 0.897 1.157 0.561 65 0.902 1.146 0.550 66 0.913 1.123 0.529 67 0.932 1.084 0.493 68 0.938 1.072 0.483 69 0.951 1.045 0.461 70 0.965 1.018 0.439 71 0.969 1.011 0.433 0.267000e+35 34.426511 79.269971 0.104235e+20 19.018013 43.790593 0.100000e+01 0.000000 0.000000 0.243332e+09 8.386199 19.309936 0.105269e+08 7.022299 16.169442 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.4176 5.1096 0.5244 5.3284 -160.2079 -169.6004 -179.3428 -8.0571 -20.7414 -9.8209 9.5091 0.1166 -9.6258 -8.0571 -20.7414 -9.8209 16.2189 145.8878 0.9627 -60.4452 21.1993 -26.8573 41.2982 -8.1741 -1.3319 -23.3601 -4011.5390 -3326.5264 -3197.0050 161.0965 -439.5868 -135.4768 -46.4454 -73.4394 -141.0038 -1310.9774 -1417.5438 -1154.4389 -84.0283 -97.7199 -52.8383 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1471.4956868 7.533E-9 1.034E-5 0.3737453 0.4152508 -1471.0804359 -1471.0794917 -1471.196787 -14.3935725,1.9840764,12.4094961,6.5451026,-11.0893325,5.4065967 C01 [X(B1F3H29O15)] 1.7952054 1.0798331 0.0770342 2.4774673 0.0671437 -0.1063848 0.0642822 2.3397069 -0.0538762 -0.0548659 -0.0649355 2.2963124 -0.7751134 0.1510755 0.1439243 0.1542095 -0.9031398 -0.3059281 0.1319155 -0.3289858 -1.1507808 -1.2128438 -0.0915292 -0.3387723 -0.0905319 -0.7187934 -0.0169672 -0.3589003 -0.0165778 -0.8233686 -0.83788 0.2625688 -0.1010799 0.2648943 -1.3185381 0.1467893 -0.0960874 0.1304539 -0.7737437 -1.4608473 -0.1717429 0.2588309 -0.1744174 -1.4055592 0.1437233 0.2857316 0.1440199 -1.3108637 0.6413538 -0.3106796 -0.0984485 -0.3699427 0.7369379 0.0859581 -0.1019796 0.0751086 0.4254134 0.4365529 -0.1067898 0.0544781 -0.1215652 0.8041781 -0.3647292 0.0574447 -0.3309072 0.5934491 -0.8884045 0.130992 0.2043153 0.1211731 -1.2725833 -0.020106 0.1951089 -0.0294961 -1.0240158 0.4143707 0.0681348 -0.1982983 0.0571347 0.539504 -0.2685486 -0.1622189 -0.2344451 0.8581404 -0.6605964 -0.1170064 0.0839938 -0.1001738 -1.0890253 0.0250011 0.073922 0.0252789 -0.8537554 0.3364514 -0.0450572 -0.0394155 -0.0563003 0.5824265 0.1086407 -0.0800025 0.1478365 0.5434034 0.462547 0.0357176 0.074914 0.0412317 0.4443427 0.0670745 0.0104603 0.0394659 0.4359744 0.2870093 -0.0106568 -0.04977 0.0134861 0.4284748 -0.0119161 -0.0022692 -0.0103619 0.3968597 -1.1423278 0.0480408 0.1878776 0.0405361 -1.2241122 -0.0427185 0.1846803 -0.0122488 -1.1835347 0.4724594 0.2332203 0.1123807 0.2838744 0.7801042 0.2076112 0.112541 0.1933406 0.5206168 -1.1658752 0.0940872 0.1593126 0.110287 -1.0072885 0.1786882 0.1410067 0.2018653 -0.8585216 0.3950822 -0.0241369 -0.0249365 -0.0082436 0.3730683 -0.0160835 -0.0333605 -0.0639557 0.3333209 -1.1074047 -0.1547896 -0.07018 -0.1578623 -1.1092855 0.109907 -0.0926755 0.128212 -1.1368625 0.4130875 0.0918091 0.018536 0.0736574 0.9886953 -0.1205688 0.0136924 -0.1629749 0.3853891 0.6176924 0.0810738 -0.2416074 0.1064535 0.3818379 -0.1460186 -0.2303119 -0.1126444 0.7090526 -1.0719044 -0.1786342 -0.0858615 -0.2031166 -0.811528 0.1381044 -0.1116827 0.1337171 -1.049078 0.367472 0.0055112 0.0033187 0.0513634 0.3479675 -0.0840393 0.0470466 -0.0710298 0.360414 0.9384655 0.3191897 0.122307 0.2978125 0.5323402 0.0007729 0.0970589 0.0047007 0.3900369 -1.1479867 0.0949888 -0.1001916 0.0846179 -1.084538 -0.095142 -0.0979312 -0.1085625 -1.0510042 0.390708 -0.04833 0.1216797 -0.0468192 0.4171624 -0.0392596 0.0879528 -0.0546887 0.8667814 0.752223 0.2384692 0.0897474 0.2425028 0.5966656 0.0703998 0.1273946 0.0924421 0.3834967 -1.0650858 -0.1390306 -0.0914375 -0.1407992 -0.8818956 -0.0310257 -0.072483 -0.021336 -1.0366868 0.4931872 -0.110289 -0.0127073 -0.0974353 0.5324108 -0.0229306 0.0236162 -0.0942041 0.3886743 0.4287713 0.0487487 0.1036496 0.0230689 0.4039077 0.1144247 0.086455 0.1686344 0.8332983 -1.0003014 -0.0531975 0.1867091 -0.052458 -1.1710731 0.0197846 0.1760666 0.0424772 -1.1535441 0.3559605 0.0279777 -0.0460215 0.0227681 0.4060064 -0.0381756 0.0049526 -0.0702158 0.9778657 0.853209 -0.0221074 -0.2485029 -0.015627 0.4156866 0.040583 -0.2775054 0.0571018 0.4669834 -0.7609937 0.1490061 -0.0902231 0.187471 -0.9549966 -0.0971667 -0.1075934 -0.0790546 -1.0836644 0.3355222 -0.0183128 0.0541932 -0.0655275 0.3564662 0.0476878 0.060605 0.0167989 0.4020446 0.4456897 -0.2005021 -0.0245064 -0.1858376 0.7925968 0.1791859 -0.0250951 0.1784419 0.4630778 -1.1741437 -0.025191 -0.0647172 -0.0040438 -1.1086425 -0.0218612 -0.0570869 -0.0061228 -0.8811374 0.38419 -0.0929096 0.0984324 -0.0539922 0.7340433 -0.2432349 0.0619407 -0.206131 0.5389214 0.6522591 -0.1556181 -0.1587974 -0.2087132 0.4870499 0.1585218 -0.1411744 0.1078621 0.4889412 -0.9436754 -0.1266384 -0.0100853 -0.1518589 -0.8866513 -0.0914577 -0.0148608 -0.0636147 -1.1136391 0.3980463 -0.004564 0.0387978 -0.0762984 0.5061582 -0.0616329 0.0699781 -0.0648086 0.4774583 0.7921827 0.1347618 -0.0681395 0.2016929 0.4204708 -0.0242908 -0.0754959 -0.0192451 0.4426179 -0.8641623 -0.0324409 0.1354016 -0.0349384 -0.9878439 -0.0019771 0.1368862 -0.02122 -1.0545056 0.4176451 -0.1189428 -0.0472546 -0.1538351 0.7113068 0.1139638 -0.0820564 0.1371146 0.471441 0.4963447 0.0209106 0.0993939 0.0853309 0.4028748 0.0158379 0.1117863 -0.0151716 0.485973 -1.2380226 -0.0426023 0.0067421 -0.0480117 -1.1827297 -0.0554848 -0.0010999 -0.0887254 -1.1542228 0.5274195 0.2717936 -0.1078532 0.2306094 0.7836066 -0.0469513 -0.0801896 -0.0070811 0.3816852 0.771905 -0.2742325 -0.2720109 -0.2623719 0.5101531 0.1785213 -0.2772885 0.1885159 0.6316077 0.7622942 0.1007104 0.3382673 0.1222634 0.362074 0.1709096 0.3359716 0.1453569 0.7436784 187.7733743|0.2968617|189.8329851|-2.0497979|1.7253271|187.3929275 -0.000004424 -0.000030479 0.000018636 0.000005175 0.000013992 -0.000001125 0.000013029 -0.000003554 -0.000005034 0.000002372 -0.000002545 -0.000008722 0.000003744 0.000008983 0.000003216 -0.000006956 -0.000019392 0.000011873 -0.000005718 0.000009828 -0.000014168 0.000013747 -0.000003156 -0.000010487 -0.000001278 -0.000001994 0.000003503 0.000013377 -0.000003567 0.000003593 0.000001379 0.000007216 -0.000000852 -0.000002224 -0.000001590 0.000003949 -0.000004047 -0.000006164 -0.000002969 0.000012189 0.000032330 -0.000027996 -0.000002095 -0.000008908 -0.000000777 0.000018020 -0.000014087 0.000005822 -0.000008762 -0.000004693 0.000001285 -0.000011519 0.000005834 -0.000009214 0.000011112 0.000010973 -0.000012657 -0.000011386 0.000000097 0.000012490 -0.000010978 0.000009667 -0.000005531 -0.000004094 0.000001711 0.000004382 0.000001836 -0.000002628 -0.000005600 -0.000012741 -0.000009481 0.000005047 0.000004663 0.000001167 0.000000790 0.000004314 0.000008890 -0.000004297 -0.000001133 -0.000014028 0.000002433 -0.000007480 -0.000001432 -0.000003809 0.000006034 -0.000002490 0.000019977 0.000001753 0.000000292 0.000014973 0.000000895 -0.000002471 -0.000020568 -0.000008936 -0.000006353 0.000004729 0.000001251 -0.000011328 -0.000010239 -0.000000463 -0.000002105 0.000005863 -0.000005414 0.000015733 0.000008882 0.000007384 0.000003415 0.000007146 -0.000009062 -0.000008029 -0.000008281 -0.000020735 0.000006518 0.000001912 -0.000014019 0.000012052 -0.000014868 0.000003570 -0.000019967 0.000010731 -0.000002448 0.000001924 0.000001284 0.000009662 -0.000011112 -0.000004709 0.000001927 0.000018330 0.000006616 0.000012923 0.000001900 -0.000006753 -0.000000643 0.000024293 0.000018554 0.000015989 0.000019946 0.000003443 -0.000013696 0.000000985 0.000009129 0.000003907 -0.000024522 -0.000011603 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3648,1.2686,-.3051;1.7852,.5744,-1.4861;2.5317,1.5534,.4617;.8202,2.5345,-.7265;.4063,.4837,.4008;-.3669,-2.3003,-.8026;.8377,-.8577,1.4521;-.3562,-.4263,-3.1798;-.7002,-.8709,-2.3693;-.1935,4.2586,1.2716;.2788,3.7801,.57;.478,-.0386,-2.8708;.4925,4.5216,1.8982;-1.0153,-1.5601,-.7681;-.5358,-.8228,-.3296;1.0257,-1.538,2.14;.8118,-2.3821,1.7216;-3.3272,1.4014,-.0201;-3.44,.4284,.0671;-2.7609,1.5318,-.8101;-3.3294,-1.751,3.0539;-4.0581,-1.3189,3.5159;-2.5259,-1.2323,3.2981;.9233,-3.4982,-1.1681;.8067,-3.441,-2.1391;1.7307,-2.9665,-.998;3.1675,-1.8508,-.9164;2.7393,-1.0451,-1.2468;3.4357,-1.603,-.0076;-3.549,-1.355,.3005;-3.4833,-1.5009,1.2687;-2.6533,-1.5483,-.0485;.4905,-3.0316,-3.9236;1.3272,-3.0059,-4.404;.2374,-2.0935,-3.8006;-1.0608,-.3245,3.6327;-1.1717,.4764,3.0816;-.3409,-.8217,3.1969;3.695,-.8125,1.6667;3.4672,.0717,1.3373;2.837,-1.158,1.9861;-1.6196,1.9747,-2.1774;-1.3023,1.1658,-2.6228;-.8414,2.2822,-1.6862;-1.4453,1.84,1.9151;-1.0924,2.7474,1.811;-.2071,1.0101,.9643;-2.1726,1.7449,1.2534; Gaussian 16 6-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(BF3H29O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3648,1.2686,-.3051;1.7852,.5744,-1.4861;2.5317,1.5534,.4617;.8202,2.5345,-.7265;.4063,.4837,.4008;-.3669,-2.3003,-.8026;.8377,-.8577,1.4521;-.3562,-.4263,-3.1798;-.7002,-.8709,-2.3693;-.1935,4.2586,1.2716;.2788,3.7801,.57;.478,-.0386,-2.8708;.4925,4.5216,1.8982;-1.0153,-1.5601,-.7681;-.5358,-.8228,-.3296;1.0257,-1.538,2.14;.8118,-2.3821,1.7216;-3.3272,1.4014,-.0201;-3.44,.4284,.0671;-2.7609,1.5318,-.8101;-3.3294,-1.751,3.0539;-4.0581,-1.3189,3.5159;-2.5259,-1.2323,3.2981;.9233,-3.4982,-1.1681;.8067,-3.441,-2.1391;1.7307,-2.9665,-.998;3.1675,-1.8508,-.9164;2.7393,-1.0451,-1.2468;3.4357,-1.603,-.0076;-3.549,-1.355,.3005;-3.4833,-1.5009,1.2687;-2.6533,-1.5483,-.0485;.4905,-3.0316,-3.9236;1.3272,-3.0059,-4.404;.2374,-2.0935,-3.8006;-1.0608,-.3245,3.6327;-1.1717,.4764,3.0816;-.3409,-.8217,3.1969;3.695,-.8125,1.6667;3.4672,.0717,1.3373;2.837,-1.158,1.9861;-1.6196,1.9747,-2.1774;-1.3023,1.1658,-2.6228;-.8414,2.2822,-1.6862;-1.4453,1.84,1.9151;-1.0924,2.7474,1.811;-.2071,1.0101,.9643;-2.1726,1.7449,1.2534; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/water/CONF160/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 14H2OBF3OH CONF160 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 611 A 592 A 592 916 611 91 91 2090.3202940018 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0582732417 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.432863 0.000000 1.425086 2.304208 0.000000 1.441118 2.313045 2.302952 0.000000 1.425863 2.338784 2.380195 2.376570 0.000000 3.997869 3.655523 4.985122 4.979032 3.129967 0.000000 2.808281 3.403135 3.108657 4.031559 1.757983 2.935278 0.000000 3.754729 2.907892 5.051705 4.021092 3.772332 3.027126 4.802727 0.000000 3.619703 3.007737 4.933264 4.075246 3.276094 2.146804 4.119248 0.986455 0.000000 3.722173 5.009269 3.924348 2.827052 3.920161 6.881217 5.222228 6.464475 6.310661 0.000000 2.872856 4.095495 3.169490 1.877617 3.303245 6.266792 4.753914 5.670808 5.588382 0.971719 0.000000 3.012892 2.000510 4.225819 3.366920 3.313808 3.179101 4.414462 0.970402 1.527257 6.006324 5.144048 0.000000 4.024676 5.357654 3.877143 3.308283 4.307471 7.387236 5.408768 7.140582 6.979477 0.965564 1.536091 6.598389 0.000000 3.725660 3.593706 4.877264 4.487428 2.750355 0.984655 2.975952 2.745294 1.771467 6.220341 5.655380 2.994399 6.809526 0.000000 2.826111 2.945656 3.960128 3.642567 1.768686 1.560490 2.249994 2.883237 2.046794 5.338714 4.760288 2.846096 5.880800 0.982690 0.000000 3.737741 4.264725 3.826463 4.984458 2.737848 3.343566 0.985643 5.607729 4.874185 5.986719 5.595148 5.258952 6.087845 3.552936 3.008198 0.000000 4.212006 4.469678 4.475947 5.492422 3.181464 2.787008 1.548315 5.404958 4.615737 6.731381 6.291553 5.166585 6.913358 3.195675 2.907745 0.966111 0.000000 4.702522 5.382337 5.880657 4.357034 3.867641 4.804038 4.961631 4.706485 4.193218 4.433042 4.359995 4.967839 5.291999 3.830811 3.582603 5.679330 5.871972 0.000000 4.891884 5.453122 6.089558 4.818192 3.861162 4.200759 4.676658 4.558845 3.889818 5.163402 5.031539 4.919369 5.964178 3.245135 3.187049 5.301549 5.358521 0.983446 0.000000 4.164838 4.694769 5.443337 3.719809 3.549124 4.518483 4.876204 3.902884 3.528556 4.284905 4.024855 4.147690 5.182493 3.550906 3.275098 5.697869 5.873016 0.980636 1.564652 0.000000 6.514387 7.223505 7.210575 7.062383 5.097932 4.893985 4.552961 7.032418 6.090843 7.009003 7.055730 7.247847 7.435654 4.472055 4.484910 4.455117 4.395774 4.403199 3.699073 5.102042 0.000000 7.120588 7.921385 7.810485 7.526232 5.734440 5.765206 5.333024 7.702831 6.790520 7.146984 7.313458 7.937569 7.578623 5.260147 5.238382 5.271256 5.297673 4.520837 3.915228 5.340698 0.964955 0.000000 5.863013 6.688631 6.433095 6.448452 4.465033 4.755750 3.855120 6.878982 5.965089 6.300502 6.358730 6.964412 6.646645 4.350023 4.157922 3.748112 3.866135 4.311553 3.746013 4.957073 0.987115 1.550030 0.000000 4.864265 4.174921 5.546301 6.049714 4.310906 1.798072 3.720873 3.888537 3.313762 8.207684 7.510649 3.881495 8.596764 2.770259 3.160606 3.846611 3.099749 6.587180 5.998525 6.245193 6.242111 7.176614 6.080924 0.000000 5.084750 4.184215 5.889304 6.140248 4.691978 2.112986 4.423936 3.394697 2.988138 8.480356 7.730620 3.495668 8.933166 2.955861 3.454154 4.688323 4.003299 6.710311 6.154192 6.262820 6.850625 7.755559 6.748855 0.979655 0.000000 4.306873 3.574795 4.816794 5.582434 3.951457 2.209432 3.353667 3.945634 3.490109 7.813717 7.076926 3.694450 8.123543 3.093701 3.190406 3.519158 2.929500 6.754014 6.276563 6.359562 6.595431 7.523248 6.291362 0.981546 1.543081 0.000000 3.654259 2.849036 3.727192 4.977644 3.848219 3.564623 3.467495 4.423648 4.246174 7.308052 6.500860 3.786425 7.462240 4.195475 3.887836 3.745198 3.576393 7.318538 7.058371 6.826358 7.614653 8.493323 7.110420 2.795214 3.097899 1.820908 0.000000 2.851099 1.894807 3.116763 4.094773 3.239513 3.379501 3.306804 3.701521 3.622183 6.562930 5.712908 2.960328 6.776954 3.819842 3.408334 3.827524 3.783450 6.655231 6.486972 6.089589 7.471536 8.304355 6.957919 3.053090 3.204900 2.184233 0.970440 0.000000 3.552856 3.106637 3.316652 4.947382 3.701072 3.946856 3.071688 5.081946 4.818623 7.011754 6.267167 4.403768 7.057259 4.515680 4.060186 3.228650 3.237586 7.400212 7.169861 6.990618 7.427063 8.285637 6.826748 3.354157 3.851402 2.397293 0.979441 1.527095 0.000000 5.603132 5.947113 6.742390 5.939100 4.362946 3.498042 4.562566 4.813425 3.934130 6.611680 6.410460 5.292119 7.308925 2.757440 3.124011 4.934123 4.700087 2.783863 1.801881 3.191850 2.790434 3.255683 3.169757 5.172202 5.410644 5.670772 6.843784 6.483233 6.995852 0.000000 5.800957 6.297075 6.794178 6.227816 4.452092 3.826434 4.372544 5.542838 4.623552 6.632805 6.521567 5.913178 7.243866 3.200478 3.420854 4.592643 4.407908 3.179450 2.273251 3.747027 1.809246 2.326695 2.259930 5.417181 5.812185 5.871245 7.009287 6.727275 7.036471 0.981327 0.000000 4.913815 5.125706 6.063434 5.403188 3.700283 2.522258 3.862127 4.042375 3.107930 6.443062 6.113261 4.477663 7.108398 1.789100 2.255876 4.280763 3.979328 3.025901 2.130657 3.174699 3.181721 3.838122 3.363872 4.224635 4.463660 4.704422 5.892855 5.546952 6.089333 0.980549 1.557635 0.000000 5.687622 4.541087 6.664819 6.427462 5.573614 3.318255 5.809033 2.838633 2.915872 8.978013 8.163146 3.172801 9.536476 3.793450 4.341497 6.267800 5.691556 7.033051 6.583807 6.410189 8.057168 8.886495 8.030489 2.828069 1.857987 3.178325 4.195710 4.021006 5.103980 6.080431 6.715251 5.205770 0.000000 5.922234 4.641434 6.775904 6.669160 6.009280 4.042008 6.256830 3.314671 3.578929 9.343315 8.478793 3.446284 9.852801 4.560434 4.983656 6.713389 6.178796 7.765723 7.383205 7.086606 8.881402 9.724820 8.792797 3.297911 2.364277 3.430030 4.109019 3.975717 5.073675 6.973876 7.588520 6.077752 0.965139 0.000000 4.979254 3.856297 6.060646 5.586496 4.931802 3.065311 5.429432 1.875473 2.102984 8.140153 7.321450 2.268306 8.735065 3.324164 3.776250 6.018434 5.559526 6.262012 5.902754 5.574582 7.734604 8.519537 7.666060 3.061659 2.213702 3.293458 4.118656 3.725677 4.985701 5.630358 6.316062 4.767746 0.979387 1.544129 0.000000 4.891692 5.925396 5.146732 5.542155 3.640204 4.904820 2.940084 6.849663 6.037597 5.227999 5.293725 6.689215 5.376493 4.571186 4.027957 2.838034 3.375296 4.632382 4.352105 5.106360 2.741614 3.160013 1.755669 6.087428 6.820123 6.017943 6.395502 6.226555 5.924927 4.284460 3.583431 4.193445 8.175170 8.802340 7.750443 0.000000 4.304806 5.442094 4.662546 4.764976 3.110740 4.841953 2.910829 6.378477 5.634640 4.305529 4.396225 6.198172 4.531414 4.357926 3.705239 3.126205 3.735613 3.888750 3.772816 4.334089 3.101285 3.426741 2.190961 6.184338 6.820229 6.076163 6.342557 6.028735 5.924074 4.091424 3.541139 4.011456 8.008856 8.625805 7.480274 0.978566 0.000000 4.420735 5.329131 4.623256 5.292021 3.174971 4.264118 2.105897 6.388992 5.577964 5.434852 5.334959 6.172569 5.561682 4.089131 3.531930 1.870195 2.437180 4.920365 4.578515 5.239427 3.132987 3.763841 2.225544 5.273965 6.053958 5.146655 5.503311 5.411441 5.014096 4.354954 3.748915 4.050652 7.501773 8.082472 7.135620 0.977496 1.545555 0.000000 3.694372 3.938321 2.898715 5.019348 3.754681 4.980910 2.865637 6.328468 5.967395 6.402457 5.827951 5.615706 6.225915 5.354773 4.678143 2.806315 3.283256 7.553654 7.416611 7.301270 7.221351 7.986617 6.444904 4.788609 5.452995 3.949484 2.833455 3.075033 1.869528 7.391612 7.222229 6.616921 6.815021 6.875312 6.594496 5.169275 5.229535 4.316230 0.000000 2.924070 3.324655 1.958900 4.163087 3.227336 4.990574 2.791223 5.938933 5.656387 5.561874 4.950458 5.162906 5.381916 5.214244 4.427549 3.032547 3.635976 7.055115 7.032062 6.747790 7.243164 7.956735 6.439091 5.049000 5.612753 4.207097 2.977437 2.907736 2.148101 7.234462 7.126549 6.481145 6.794773 6.856659 6.443495 5.092060 4.972502 4.331008 0.970636 0.000000 3.647683 4.020428 3.125525 5.006063 3.334179 4.398517 2.091080 6.117136 5.618198 6.247684 5.738920 5.514326 6.145125 4.752675 4.105049 1.857142 2.381228 6.969489 6.752813 6.811101 6.286290 7.064617 5.521556 4.368969 5.133427 3.660537 3.002290 3.236402 2.128656 6.607706 6.370214 5.868203 6.628879 6.821129 6.412503 4.312710 4.465590 3.417337 0.978520 1.526508 0.000000 3.593130 3.745860 4.937161 2.893289 3.602044 4.662139 5.218628 2.892393 2.996654 4.375526 3.796223 2.989024 5.249534 3.853127 3.523519 6.162573 6.332131 2.810380 3.277635 1.835308 6.646177 7.014813 6.409934 6.118641 5.934521 6.085287 6.256271 5.383762 6.562317 4.577057 5.237249 4.244122 5.706598 6.200685 4.757510 6.273469 5.486546 6.191788 7.126702 6.469164 6.856424 0.000000 3.534935 3.342880 4.936021 3.158260 3.539398 4.025260 5.027872 1.933964 2.138994 5.095215 4.419108 2.163725 5.909492 3.309602 3.130679 5.951108 5.994304 3.306006 3.514183 2.355331 6.696507 7.173026 6.504273 5.368680 5.089686 5.377279 5.656075 4.807908 6.079037 4.466314 5.197326 3.977312 4.746022 5.243147 3.792255 6.435204 5.747408 6.224483 6.876518 6.295100 6.616437 0.976429 0.000000 2.793274 3.139403 4.064822 1.935401 3.024479 4.691049 4.746333 3.130865 3.229396 3.615872 2.930706 2.920676 4.431938 3.954369 3.402251 5.720226 6.008554 3.119414 3.641931 2.239493 6.702748 7.097688 6.327159 6.065961 5.973010 5.885424 5.809129 4.907692 6.017183 4.950498 5.479347 4.542930 5.917502 6.328812 4.978121 5.927476 5.109026 5.807767 6.434131 5.708983 6.233188 0.970229 1.528402 0.000000 3.626616 4.858525 4.243912 3.548603 2.749694 5.068587 3.564222 5.681550 5.124422 2.798302 2.923332 5.489305 3.308508 4.352557 3.599511 4.191317 4.791405 2.734801 3.063734 3.041789 4.212191 4.400874 3.538282 6.603926 7.028250 6.455547 6.551043 5.985923 6.274862 4.152155 3.966467 4.098232 7.846645 8.432065 7.139523 2.789846 1.815169 3.153938 5.789571 5.252869 5.227896 4.098395 4.589952 3.678277 0.000000 3.564138 4.886023 4.047315 3.184694 3.059295 5.730334 4.104993 5.960079 5.542630 1.839180 2.118231 5.669844 2.380612 5.021182 4.199866 4.791633 5.472293 3.187291 3.732277 3.336400 5.175442 5.313783 4.483803 7.207316 7.583290 6.964800 6.835853 6.197988 6.537338 5.014571 4.904936 4.934289 8.293878 8.808025 7.529482 3.571649 2.603491 3.901834 5.967656 5.307909 5.542892 4.096587 4.712141 3.536943 0.979162 0.000000 2.036948 3.188009 2.837038 2.497627 0.985327 3.755826 2.194982 4.388559 3.859314 3.263009 2.839861 4.034502 3.700308 3.203181 2.267617 3.065088 3.621933 3.295095 3.405176 3.153254 4.662554 5.173467 3.981402 5.113631 5.520061 4.839238 4.807196 4.218253 4.587170 4.147617 4.139020 3.681740 6.380745 6.877571 5.703916 3.103303 2.387059 2.890967 4.363577 3.810479 3.874420 3.577189 3.753899 3.007723 1.767983 2.125805 0.000000 3.894723 4.953640 4.774271 3.674252 2.994680 4.883769 3.984296 5.259910 4.704680 3.199310 3.258594 5.216822 3.902345 4.043342 3.431936 4.668247 5.114437 1.753024 2.178714 2.156286 4.098997 4.249777 3.628950 6.552685 6.875928 6.519244 6.793580 6.177453 6.652099 3.523040 3.500471 3.573686 7.530491 8.174626 6.788534 3.343595 2.439849 3.704007 6.413951 5.883304 5.836064 3.482662 4.014715 3.271420 0.987837 1.575630 2.118178 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4294,1.8618,-.3844;1.7487,1.4966,-.8076;.5577,2.9583,.5169;-.2696,2.3525,-1.5452;-.2222,.7328,.1934;1.3735,-1.9562,.3326;.0588,.1907,1.842;1.9193,-.897,-2.4501;1.4252,-1.3492,-1.7259;-2.9581,3.1618,-1.2146;-2.0025,3.0484,-1.3494;2.0674,-.0106,-2.0839;-3.036,3.8977,-.5943;.5865,-1.8581,-.2509;.2636,-.944,-.0901;.0878,-.0856,2.7876;.617,-.8938,2.7956;-2.7561,-1.1962,-2.0013;-2.4087,-1.9646,-1.4953;-1.9827,-.8172,-2.4701;-3.1014,-3.0846,1.9614;-4.0498,-3.2093,1.8343;-2.9965,-2.1327,2.2005;2.987,-1.9905,1.1256;3.4771,-2.1517,.2928;3.133,-1.036,1.3017;3.4454,.757,1.3583;2.9871,1.0059,.5399;2.9406,1.2337,2.0492;-1.7551,-3.2971,-.4735;-2.2326,-3.235,.3816;-.8863,-2.872,-.3127;4.1664,-2.2973,-1.4265;4.972,-1.7708,-1.4989;3.4779,-1.7763,-1.8889;-2.7197,-.4385,2.5686;-2.8419,-.0053,1.6997;-1.7612,-.3634,2.7449;1.7013,2.1933,3.0683;1.3303,2.6352,2.2878;1.1353,1.4009,3.1646;-.6479,.1053,-3.3279;.2145,-.3197,-3.1575;-.607,.9188,-2.8007;-2.9643,.6456,.0097;-3.119,1.5276,-.3863;-1.2056,.7675,.143;-2.9724,-.0015,-.7367; 0.2171251 0.1841831 0.1699720 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 592 RedAO= T EigKep= 1.01D-04 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 605 605 605 605 605 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.49568677065 -1471.49568677052 0.000000000129 -1471.49568677 2 1.466673177830e+03 -7.683846484964e+03 2.655401399136e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT455.200S Wed Nov 6 03:33:39 2024 -24.65227 -24.65073 -24.64279 -19.13022 -19.12850 -19.12422 -19.12398 -19.12032 -19.11879 -19.11864 -19.11780 -19.11650 -19.11637 -19.11350 -19.11152 -19.11062 -19.10852 -19.10657 -6.85754 -1.20169 -1.16116 -1.15493 -1.02648 -1.02260 -1.02055 -1.01515 -1.01189 -1.01133 -1.01024 -1.00815 -1.00333 -1.00178 -0.99735 -0.99615 -0.99109 -0.98570 -0.98378 -0.58077 -0.54436 -0.54025 -0.53721 -0.53544 -0.53178 -0.52964 -0.52780 -0.52670 -0.52566 -0.52358 -0.52215 -0.51960 -0.51931 -0.51680 -0.51395 -0.50071 -0.49587 -0.44617 -0.43369 -0.43274 -0.42236 -0.42073 -0.41803 -0.41432 -0.41121 -0.40754 -0.40547 -0.40389 -0.39988 -0.39506 -0.39078 -0.38817 -0.38580 -0.37889 -0.37707 -0.37337 -0.37135 -0.35495 -0.32850 -0.32667 -0.32438 -0.32259 -0.32064 -0.32036 -0.31919 -0.31898 -0.31803 -0.31716 -0.31541 -0.31466 -0.31199 -0.31011 -0.30732 -0.00576 0.01584 0.02276 0.02485 0.04747 0.05563 0.06195 0.06720 0.07420 0.08621 0.09026 0.10162 0.10770 0.10879 0.11008 0.11418 0.11753 0.12936 0.13246 0.13652 0.13980 0.14164 0.14813 0.15094 0.15227 0.15567 0.15625 0.16393 0.16707 0.16946 0.17715 0.17814 0.18032 0.18121 0.18799 0.19195 0.19490 0.19837 0.20349 0.20547 0.20915 0.20939 0.21456 0.21766 0.22023 0.22817 0.23302 0.23402 0.23797 0.23867 0.24269 0.24481 0.25060 0.25491 0.25543 0.25758 0.25930 0.26329 0.26538 0.26929 0.27296 0.27345 0.27639 0.28211 0.28358 0.28604 0.28857 0.28984 0.29276 0.29539 0.29650 0.29779 0.30373 0.30521 0.30774 0.31236 0.31886 0.32474 0.33148 0.33768 0.34651 0.35324 0.35992 0.36447 0.37186 0.37391 0.37975 0.39421 0.39675 0.41842 0.42022 0.43833 0.44855 0.46032 0.46420 0.47148 0.47963 0.48487 0.49207 0.49615 0.50151 0.50584 0.51505 0.51589 0.52193 0.53119 0.53690 0.54316 0.54585 0.54869 0.56224 0.56743 0.57231 0.57896 0.58490 0.58902 0.59396 0.59958 0.60019 0.60632 0.61206 0.61458 0.62080 0.62936 0.63187 0.63914 0.64794 0.65125 0.66333 0.67124 0.67534 0.68129 0.68849 0.68987 0.70092 0.70307 0.71432 0.71512 0.73490 0.77020 0.78501 0.83562 0.94204 0.95399 0.96389 0.96768 0.97402 0.98410 0.98927 0.99501 1.00011 1.00291 1.01002 1.01345 1.01437 1.01919 1.02579 1.03009 1.04034 1.05112 1.05791 1.05965 1.06179 1.06426 1.07366 1.07778 1.07968 1.08331 1.08751 1.09027 1.09806 1.10071 1.10600 1.11249 1.11539 1.11964 1.12663 1.13989 1.14059 1.14469 1.15719 1.16445 1.17182 1.18340 1.19097 1.20628 1.22062 1.23509 1.24651 1.24723 1.25645 1.26227 1.26673 1.27840 1.28789 1.29616 1.30605 1.30714 1.31179 1.31727 1.32348 1.32510 1.33281 1.33983 1.35355 1.35887 1.35921 1.36513 1.37289 1.37831 1.38530 1.38809 1.39308 1.40079 1.40491 1.41092 1.41581 1.43107 1.43183 1.43702 1.44863 1.45020 1.45254 1.46441 1.46815 1.47414 1.48040 1.48338 1.48994 1.49914 1.50547 1.51298 1.51742 1.52506 1.53199 1.53665 1.54493 1.55439 1.56156 1.56661 1.57280 1.57625 1.59476 1.59995 1.61878 1.62748 1.63567 1.64705 1.65180 1.65704 1.65948 1.66972 1.67606 1.69614 1.69948 1.70275 1.70840 1.72140 1.72939 1.74432 1.75003 1.76298 1.76638 1.77071 1.77339 1.79423 1.79878 1.80794 1.81408 1.83381 1.84011 1.84928 1.86173 1.92143 2.01590 2.03451 2.03544 2.04374 2.07471 2.12342 2.13768 2.17006 2.18202 2.19483 2.22604 2.23707 2.25357 2.26727 2.27491 2.28488 2.29998 2.30307 2.31405 2.33822 2.33926 2.34204 2.35871 2.36978 2.39226 2.39670 2.40343 2.42307 2.42963 2.44065 2.44865 2.47387 2.49566 2.52503 2.57238 2.58365 2.59000 2.59650 2.64725 2.66911 2.68029 2.69070 2.69716 2.70391 2.71333 2.72386 2.74714 2.75109 2.76003 2.76562 2.77069 2.77719 2.78510 2.79304 2.80138 2.80894 2.81711 2.83198 2.84360 2.84793 2.86848 2.89853 2.90699 2.97744 3.06988 3.08415 3.08664 3.09135 3.09179 3.09824 3.09996 3.10461 3.11079 3.11600 3.12542 3.12652 3.12923 3.13368 3.13737 3.14298 3.14519 3.14819 3.15365 3.15893 3.16369 3.16481 3.17021 3.17476 3.17609 3.17854 3.19558 3.20869 3.21170 3.22975 3.24678 3.30764 3.31242 3.31360 3.32310 3.33252 3.33612 3.34274 3.34878 3.35616 3.36630 3.36752 3.38293 3.39456 3.41509 3.58299 3.67638 3.68641 3.71007 3.71243 3.71854 3.73184 3.74165 3.75358 3.75529 3.76171 3.77041 3.78357 3.78900 3.80551 3.81950 3.82431 3.83941 3.85286 3.85916 3.86796 3.88364 3.90577 3.90925 3.91750 3.92465 3.92697 3.93727 3.94479 3.94799 3.95048 3.95387 3.95629 3.96145 3.96728 3.96989 3.98097 3.98498 4.02209 4.09745 4.21135 4.23023 4.38207 4.66175 4.66528 5.00876 5.01242 5.01716 5.02844 5.04403 5.04584 5.05025 5.05755 5.06083 5.06795 5.12099 5.15653 5.16771 5.19549 5.21403 5.34985 5.37167 5.38288 5.38774 5.40163 5.41010 5.42269 5.43776 5.44593 5.46480 5.47473 5.47696 5.49784 5.52689 5.54150 5.63539 5.66756 5.67544 5.67648 5.69054 5.69596 5.71857 5.72080 5.72129 5.73271 5.74221 5.74453 5.76586 5.76925 5.82440 6.36672 6.42791 6.43529 6.43757 6.46940 6.49585 6.56714 6.66987 6.71169 14.58737 49.88050 49.88254 49.88838 49.90558 49.92133 49.92869 49.93667 49.93772 49.94212 49.94591 49.94960 49.95668 49.97291 49.98237 50.01628 66.85283 66.87011 66.87688 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 1.066912 -0.489376 -0.455745 -0.449696 -0.956395 0.451924 0.372862 -0.707750 0.387784 -0.647717 0.315073 0.312581 0.313212 -0.888377 0.439091 -0.695736 0.310798 -0.800049 0.404447 0.378824 -0.741075 0.311823 0.404010 -0.807846 0.405035 0.393764 -0.709293 0.299998 0.372871 -0.806952 0.413855 0.387298 -0.721027 0.312898 0.398963 -0.751038 0.387910 0.374104 -0.693200 0.311392 0.369568 -0.690766 0.367300 0.300053 -0.913104 0.437387 0.484413 0.438992 -1.00000 1.4176 5.1096 0.5244 5.3284 -160.2079 -169.6004 -179.3428 -8.0570 -20.7414 -9.8209 9.5091 0.1166 -9.6258 -8.0570 -20.7414 -9.8209 16.2191 145.8878 0.9627 -60.4452 21.1993 -26.8573 41.2982 -8.1741 -1.3319 -23.3601 -4011.5397 -3326.5265 -3197.0053 161.0962 -439.5867 -135.4770 -46.4453 -73.4393 -141.0037 -1310.9775 -1417.5440 -1154.4390 -84.0282 -97.7199 -52.8384 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GANDULLAS LAMSABHI 06-Nov-2024 0 Wavefunction 14H2OBF3OH CONF160 water -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.4956868 RMSD=7.202e-09 Dipole=1.7952055,1.079832,0.0770341 Quadrupole=-14.3935688,1.9840635,12.4095053,6.5451102,-11.0893332,5.4065914 PG=C01 [X(B1F3H29O15)] 0 1.3647957272 1.2685556993 -0.3051496067 0 1.7852053282 0.574442652 -1.4860646446 0 2.5317138692 1.5534224377 0.4616769408 0 0.8202008619 2.5345395735 -0.7264822474 0 0.4063181245 0.4836934774 0.4008229821 0 -0.3668751158 -2.300315289 -0.80257181 0 0.83774392 -0.8576564365 1.4520873224 0 -0.3561945069 -0.4262691345 -3.1798238753 0 -0.7002205608 -0.8709316869 -2.3692596545 0 -0.1934909364 4.258558021 1.2716202505 0 0.2787882031 3.7801384855 0.5699751371 0 0.4780009468 -0.0385958158 -2.8707821175 0 0.4924658943 4.5216138978 1.8981817191 0 -1.0153040599 -1.5601158159 -0.7680596524 0 -0.5358243223 -0.8228422097 -0.3296451472 0 1.025729627 -1.5380054681 2.1400403028 0 0.8117614055 -2.3821092485 1.7216185801 0 -3.3272003517 1.4014492707 -0.0201445929 0 -3.4400005593 0.4283999855 0.0671365775 0 -2.7609312102 1.5318021728 -0.810077195 0 -3.329438391 -1.7510448821 3.0539300842 0 -4.0580747531 -1.3188505364 3.5159204398 0 -2.5258700203 -1.2323271221 3.2980748114 0 0.9233341673 -3.498153014 -1.1680940051 0 0.8066928942 -3.4409914058 -2.1390996252 0 1.7306647286 -2.9664529778 -0.9979644349 0 3.1674601525 -1.850805642 -0.9163711784 0 2.7392560505 -1.0450756306 -1.2468152546 0 3.4356684532 -1.6029786565 -0.0075523358 0 -3.5489967545 -1.3549789559 0.3004876668 0 -3.4833426417 -1.5008664899 1.2686862103 0 -2.6532814643 -1.5483146913 -0.0484983051 0 0.4904939688 -3.0315936215 -3.9236242575 0 1.3272229921 -3.0059300663 -4.4039563097 0 0.2373504866 -2.093517837 -3.8006175235 0 -1.0608450763 -0.324540343 3.6327384549 0 -1.1717341915 0.476401586 3.0815692854 0 -0.3408741167 -0.8217169972 3.196900097 0 3.6949789725 -0.8124583086 1.6666553758 0 3.4671918841 0.0717303345 1.3373252909 0 2.8370464223 -1.1579785397 1.9861381538 0 -1.6196012214 1.9747420776 -2.1773824794 0 -1.3023220111 1.1658460002 -2.6228424645 0 -0.8414247524 2.2822476869 -1.6862354527 0 -1.4452552714 1.8399767478 1.9150842589 0 -1.0924410642 2.7474151191 1.8109890061 0 -0.2070614874 1.0100777686 0.9643427565 0 -2.1725572176 1.7448858157 1.253410611 Gaussian 16 6-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(BF3H29O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3648,1.2686,-.3051;1.7852,.5744,-1.4861;2.5317,1.5534,.4617;.8202,2.5345,-.7265;.4063,.4837,.4008;-.3669,-2.3003,-.8026;.8377,-.8577,1.4521;-.3562,-.4263,-3.1798;-.7002,-.8709,-2.3693;-.1935,4.2586,1.2716;.2788,3.7801,.57;.478,-.0386,-2.8708;.4925,4.5216,1.8982;-1.0153,-1.5601,-.7681;-.5358,-.8228,-.3296;1.0257,-1.538,2.14;.8118,-2.3821,1.7216;-3.3272,1.4014,-.0201;-3.44,.4284,.0671;-2.7609,1.5318,-.8101;-3.3294,-1.751,3.0539;-4.0581,-1.3189,3.5159;-2.5259,-1.2323,3.2981;.9233,-3.4982,-1.1681;.8067,-3.441,-2.1391;1.7307,-2.9665,-.998;3.1675,-1.8508,-.9164;2.7393,-1.0451,-1.2468;3.4357,-1.603,-.0076;-3.549,-1.355,.3005;-3.4833,-1.5009,1.2687;-2.6533,-1.5483,-.0485;.4905,-3.0316,-3.9236;1.3272,-3.0059,-4.404;.2374,-2.0935,-3.8006;-1.0608,-.3245,3.6327;-1.1717,.4764,3.0816;-.3409,-.8217,3.1969;3.695,-.8125,1.6667;3.4672,.0717,1.3373;2.837,-1.158,1.9861;-1.6196,1.9747,-2.1774;-1.3023,1.1658,-2.6228;-.8414,2.2822,-1.6862;-1.4453,1.84,1.9151;-1.0924,2.7474,1.811;-.2071,1.0101,.9643;-2.1726,1.7449,1.2534; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/water/CONF160/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 14H2OBF3OH CONF160 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 611 A 592 A 592 916 611 91 91 2090.3202940018 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0582732417 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.432863 0.000000 1.425086 2.304208 0.000000 1.441118 2.313045 2.302952 0.000000 1.425863 2.338784 2.380195 2.376570 0.000000 3.997869 3.655523 4.985122 4.979032 3.129967 0.000000 2.808281 3.403135 3.108657 4.031559 1.757983 2.935278 0.000000 3.754729 2.907892 5.051705 4.021092 3.772332 3.027126 4.802727 0.000000 3.619703 3.007737 4.933264 4.075246 3.276094 2.146804 4.119248 0.986455 0.000000 3.722173 5.009269 3.924348 2.827052 3.920161 6.881217 5.222228 6.464475 6.310661 0.000000 2.872856 4.095495 3.169490 1.877617 3.303245 6.266792 4.753914 5.670808 5.588382 0.971719 0.000000 3.012892 2.000510 4.225819 3.366920 3.313808 3.179101 4.414462 0.970402 1.527257 6.006324 5.144048 0.000000 4.024676 5.357654 3.877143 3.308283 4.307471 7.387236 5.408768 7.140582 6.979477 0.965564 1.536091 6.598389 0.000000 3.725660 3.593706 4.877264 4.487428 2.750355 0.984655 2.975952 2.745294 1.771467 6.220341 5.655380 2.994399 6.809526 0.000000 2.826111 2.945656 3.960128 3.642567 1.768686 1.560490 2.249994 2.883237 2.046794 5.338714 4.760288 2.846096 5.880800 0.982690 0.000000 3.737741 4.264725 3.826463 4.984458 2.737848 3.343566 0.985643 5.607729 4.874185 5.986719 5.595148 5.258952 6.087845 3.552936 3.008198 0.000000 4.212006 4.469678 4.475947 5.492422 3.181464 2.787008 1.548315 5.404958 4.615737 6.731381 6.291553 5.166585 6.913358 3.195675 2.907745 0.966111 0.000000 4.702522 5.382337 5.880657 4.357034 3.867641 4.804038 4.961631 4.706485 4.193218 4.433042 4.359995 4.967839 5.291999 3.830811 3.582603 5.679330 5.871972 0.000000 4.891884 5.453122 6.089558 4.818192 3.861162 4.200759 4.676658 4.558845 3.889818 5.163402 5.031539 4.919369 5.964178 3.245135 3.187049 5.301549 5.358521 0.983446 0.000000 4.164838 4.694769 5.443337 3.719809 3.549124 4.518483 4.876204 3.902884 3.528556 4.284905 4.024855 4.147690 5.182493 3.550906 3.275098 5.697869 5.873016 0.980636 1.564652 0.000000 6.514387 7.223505 7.210575 7.062383 5.097932 4.893985 4.552961 7.032418 6.090843 7.009003 7.055730 7.247847 7.435654 4.472055 4.484910 4.455117 4.395774 4.403199 3.699073 5.102042 0.000000 7.120588 7.921385 7.810485 7.526232 5.734440 5.765206 5.333024 7.702831 6.790520 7.146984 7.313458 7.937569 7.578623 5.260147 5.238382 5.271256 5.297673 4.520837 3.915228 5.340698 0.964955 0.000000 5.863013 6.688631 6.433095 6.448452 4.465033 4.755750 3.855120 6.878982 5.965089 6.300502 6.358730 6.964412 6.646645 4.350023 4.157922 3.748112 3.866135 4.311553 3.746013 4.957073 0.987115 1.550030 0.000000 4.864265 4.174921 5.546301 6.049714 4.310906 1.798072 3.720873 3.888537 3.313762 8.207684 7.510649 3.881495 8.596764 2.770259 3.160606 3.846611 3.099749 6.587180 5.998525 6.245193 6.242111 7.176614 6.080924 0.000000 5.084750 4.184215 5.889304 6.140248 4.691978 2.112986 4.423936 3.394697 2.988138 8.480356 7.730620 3.495668 8.933166 2.955861 3.454154 4.688323 4.003299 6.710311 6.154192 6.262820 6.850625 7.755559 6.748855 0.979655 0.000000 4.306873 3.574795 4.816794 5.582434 3.951457 2.209432 3.353667 3.945634 3.490109 7.813717 7.076926 3.694450 8.123543 3.093701 3.190406 3.519158 2.929500 6.754014 6.276563 6.359562 6.595431 7.523248 6.291362 0.981546 1.543081 0.000000 3.654259 2.849036 3.727192 4.977644 3.848219 3.564623 3.467495 4.423648 4.246174 7.308052 6.500860 3.786425 7.462240 4.195475 3.887836 3.745198 3.576393 7.318538 7.058371 6.826358 7.614653 8.493323 7.110420 2.795214 3.097899 1.820908 0.000000 2.851099 1.894807 3.116763 4.094773 3.239513 3.379501 3.306804 3.701521 3.622183 6.562930 5.712908 2.960328 6.776954 3.819842 3.408334 3.827524 3.783450 6.655231 6.486972 6.089589 7.471536 8.304355 6.957919 3.053090 3.204900 2.184233 0.970440 0.000000 3.552856 3.106637 3.316652 4.947382 3.701072 3.946856 3.071688 5.081946 4.818623 7.011754 6.267167 4.403768 7.057259 4.515680 4.060186 3.228650 3.237586 7.400212 7.169861 6.990618 7.427063 8.285637 6.826748 3.354157 3.851402 2.397293 0.979441 1.527095 0.000000 5.603132 5.947113 6.742390 5.939100 4.362946 3.498042 4.562566 4.813425 3.934130 6.611680 6.410460 5.292119 7.308925 2.757440 3.124011 4.934123 4.700087 2.783863 1.801881 3.191850 2.790434 3.255683 3.169757 5.172202 5.410644 5.670772 6.843784 6.483233 6.995852 0.000000 5.800957 6.297075 6.794178 6.227816 4.452092 3.826434 4.372544 5.542838 4.623552 6.632805 6.521567 5.913178 7.243866 3.200478 3.420854 4.592643 4.407908 3.179450 2.273251 3.747027 1.809246 2.326695 2.259930 5.417181 5.812185 5.871245 7.009287 6.727275 7.036471 0.981327 0.000000 4.913815 5.125706 6.063434 5.403188 3.700283 2.522258 3.862127 4.042375 3.107930 6.443062 6.113261 4.477663 7.108398 1.789100 2.255876 4.280763 3.979328 3.025901 2.130657 3.174699 3.181721 3.838122 3.363872 4.224635 4.463660 4.704422 5.892855 5.546952 6.089333 0.980549 1.557635 0.000000 5.687622 4.541087 6.664819 6.427462 5.573614 3.318255 5.809033 2.838633 2.915872 8.978013 8.163146 3.172801 9.536476 3.793450 4.341497 6.267800 5.691556 7.033051 6.583807 6.410189 8.057168 8.886495 8.030489 2.828069 1.857987 3.178325 4.195710 4.021006 5.103980 6.080431 6.715251 5.205770 0.000000 5.922234 4.641434 6.775904 6.669160 6.009280 4.042008 6.256830 3.314671 3.578929 9.343315 8.478793 3.446284 9.852801 4.560434 4.983656 6.713389 6.178796 7.765723 7.383205 7.086606 8.881402 9.724820 8.792797 3.297911 2.364277 3.430030 4.109019 3.975717 5.073675 6.973876 7.588520 6.077752 0.965139 0.000000 4.979254 3.856297 6.060646 5.586496 4.931802 3.065311 5.429432 1.875473 2.102984 8.140153 7.321450 2.268306 8.735065 3.324164 3.776250 6.018434 5.559526 6.262012 5.902754 5.574582 7.734604 8.519537 7.666060 3.061659 2.213702 3.293458 4.118656 3.725677 4.985701 5.630358 6.316062 4.767746 0.979387 1.544129 0.000000 4.891692 5.925396 5.146732 5.542155 3.640204 4.904820 2.940084 6.849663 6.037597 5.227999 5.293725 6.689215 5.376493 4.571186 4.027957 2.838034 3.375296 4.632382 4.352105 5.106360 2.741614 3.160013 1.755669 6.087428 6.820123 6.017943 6.395502 6.226555 5.924927 4.284460 3.583431 4.193445 8.175170 8.802340 7.750443 0.000000 4.304806 5.442094 4.662546 4.764976 3.110740 4.841953 2.910829 6.378477 5.634640 4.305529 4.396225 6.198172 4.531414 4.357926 3.705239 3.126205 3.735613 3.888750 3.772816 4.334089 3.101285 3.426741 2.190961 6.184338 6.820229 6.076163 6.342557 6.028735 5.924074 4.091424 3.541139 4.011456 8.008856 8.625805 7.480274 0.978566 0.000000 4.420735 5.329131 4.623256 5.292021 3.174971 4.264118 2.105897 6.388992 5.577964 5.434852 5.334959 6.172569 5.561682 4.089131 3.531930 1.870195 2.437180 4.920365 4.578515 5.239427 3.132987 3.763841 2.225544 5.273965 6.053958 5.146655 5.503311 5.411441 5.014096 4.354954 3.748915 4.050652 7.501773 8.082472 7.135620 0.977496 1.545555 0.000000 3.694372 3.938321 2.898715 5.019348 3.754681 4.980910 2.865637 6.328468 5.967395 6.402457 5.827951 5.615706 6.225915 5.354773 4.678143 2.806315 3.283256 7.553654 7.416611 7.301270 7.221351 7.986617 6.444904 4.788609 5.452995 3.949484 2.833455 3.075033 1.869528 7.391612 7.222229 6.616921 6.815021 6.875312 6.594496 5.169275 5.229535 4.316230 0.000000 2.924070 3.324655 1.958900 4.163087 3.227336 4.990574 2.791223 5.938933 5.656387 5.561874 4.950458 5.162906 5.381916 5.214244 4.427549 3.032547 3.635976 7.055115 7.032062 6.747790 7.243164 7.956735 6.439091 5.049000 5.612753 4.207097 2.977437 2.907736 2.148101 7.234462 7.126549 6.481145 6.794773 6.856659 6.443495 5.092060 4.972502 4.331008 0.970636 0.000000 3.647683 4.020428 3.125525 5.006063 3.334179 4.398517 2.091080 6.117136 5.618198 6.247684 5.738920 5.514326 6.145125 4.752675 4.105049 1.857142 2.381228 6.969489 6.752813 6.811101 6.286290 7.064617 5.521556 4.368969 5.133427 3.660537 3.002290 3.236402 2.128656 6.607706 6.370214 5.868203 6.628879 6.821129 6.412503 4.312710 4.465590 3.417337 0.978520 1.526508 0.000000 3.593130 3.745860 4.937161 2.893289 3.602044 4.662139 5.218628 2.892393 2.996654 4.375526 3.796223 2.989024 5.249534 3.853127 3.523519 6.162573 6.332131 2.810380 3.277635 1.835308 6.646177 7.014813 6.409934 6.118641 5.934521 6.085287 6.256271 5.383762 6.562317 4.577057 5.237249 4.244122 5.706598 6.200685 4.757510 6.273469 5.486546 6.191788 7.126702 6.469164 6.856424 0.000000 3.534935 3.342880 4.936021 3.158260 3.539398 4.025260 5.027872 1.933964 2.138994 5.095215 4.419108 2.163725 5.909492 3.309602 3.130679 5.951108 5.994304 3.306006 3.514183 2.355331 6.696507 7.173026 6.504273 5.368680 5.089686 5.377279 5.656075 4.807908 6.079037 4.466314 5.197326 3.977312 4.746022 5.243147 3.792255 6.435204 5.747408 6.224483 6.876518 6.295100 6.616437 0.976429 0.000000 2.793274 3.139403 4.064822 1.935401 3.024479 4.691049 4.746333 3.130865 3.229396 3.615872 2.930706 2.920676 4.431938 3.954369 3.402251 5.720226 6.008554 3.119414 3.641931 2.239493 6.702748 7.097688 6.327159 6.065961 5.973010 5.885424 5.809129 4.907692 6.017183 4.950498 5.479347 4.542930 5.917502 6.328812 4.978121 5.927476 5.109026 5.807767 6.434131 5.708983 6.233188 0.970229 1.528402 0.000000 3.626616 4.858525 4.243912 3.548603 2.749694 5.068587 3.564222 5.681550 5.124422 2.798302 2.923332 5.489305 3.308508 4.352557 3.599511 4.191317 4.791405 2.734801 3.063734 3.041789 4.212191 4.400874 3.538282 6.603926 7.028250 6.455547 6.551043 5.985923 6.274862 4.152155 3.966467 4.098232 7.846645 8.432065 7.139523 2.789846 1.815169 3.153938 5.789571 5.252869 5.227896 4.098395 4.589952 3.678277 0.000000 3.564138 4.886023 4.047315 3.184694 3.059295 5.730334 4.104993 5.960079 5.542630 1.839180 2.118231 5.669844 2.380612 5.021182 4.199866 4.791633 5.472293 3.187291 3.732277 3.336400 5.175442 5.313783 4.483803 7.207316 7.583290 6.964800 6.835853 6.197988 6.537338 5.014571 4.904936 4.934289 8.293878 8.808025 7.529482 3.571649 2.603491 3.901834 5.967656 5.307909 5.542892 4.096587 4.712141 3.536943 0.979162 0.000000 2.036948 3.188009 2.837038 2.497627 0.985327 3.755826 2.194982 4.388559 3.859314 3.263009 2.839861 4.034502 3.700308 3.203181 2.267617 3.065088 3.621933 3.295095 3.405176 3.153254 4.662554 5.173467 3.981402 5.113631 5.520061 4.839238 4.807196 4.218253 4.587170 4.147617 4.139020 3.681740 6.380745 6.877571 5.703916 3.103303 2.387059 2.890967 4.363577 3.810479 3.874420 3.577189 3.753899 3.007723 1.767983 2.125805 0.000000 3.894723 4.953640 4.774271 3.674252 2.994680 4.883769 3.984296 5.259910 4.704680 3.199310 3.258594 5.216822 3.902345 4.043342 3.431936 4.668247 5.114437 1.753024 2.178714 2.156286 4.098997 4.249777 3.628950 6.552685 6.875928 6.519244 6.793580 6.177453 6.652099 3.523040 3.500471 3.573686 7.530491 8.174626 6.788534 3.343595 2.439849 3.704007 6.413951 5.883304 5.836064 3.482662 4.014715 3.271420 0.987837 1.575630 2.118178 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4294,1.8618,-.3844;1.7487,1.4966,-.8076;.5577,2.9583,.5169;-.2696,2.3525,-1.5452;-.2222,.7328,.1934;1.3735,-1.9562,.3326;.0588,.1907,1.842;1.9193,-.897,-2.4501;1.4252,-1.3492,-1.7259;-2.9581,3.1618,-1.2146;-2.0025,3.0484,-1.3494;2.0674,-.0106,-2.0839;-3.036,3.8977,-.5943;.5865,-1.8581,-.2509;.2636,-.944,-.0901;.0878,-.0856,2.7876;.617,-.8938,2.7956;-2.7561,-1.1962,-2.0013;-2.4087,-1.9646,-1.4953;-1.9827,-.8172,-2.4701;-3.1014,-3.0846,1.9614;-4.0498,-3.2093,1.8343;-2.9965,-2.1327,2.2005;2.987,-1.9905,1.1256;3.4771,-2.1517,.2928;3.133,-1.036,1.3017;3.4454,.757,1.3583;2.9871,1.0059,.5399;2.9406,1.2337,2.0492;-1.7551,-3.2971,-.4735;-2.2326,-3.235,.3816;-.8863,-2.872,-.3127;4.1664,-2.2973,-1.4265;4.972,-1.7708,-1.4989;3.4779,-1.7763,-1.8889;-2.7197,-.4385,2.5686;-2.8419,-.0053,1.6997;-1.7612,-.3634,2.7449;1.7013,2.1933,3.0683;1.3303,2.6352,2.2878;1.1353,1.4009,3.1646;-.6479,.1053,-3.3279;.2145,-.3197,-3.1575;-.607,.9188,-2.8007;-2.9643,.6456,.0097;-3.119,1.5276,-.3863;-1.2056,.7675,.143;-2.9724,-.0015,-.7367; 0.2171251 0.1841831 0.1699720 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 592 RedAO= T EigKep= 1.01D-04 NBF= 592 NBsUse= 592 1.00D-06 EigRej= -1.00D+00 NBFU= 592 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 605 605 605 605 605 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.49568677065 -1471.49568677055 0.000000000098 -1471.49568677 2 1.466673177830e+03 -7.683846484964e+03 2.655401399136e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323862024 LenY= 11323488092 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT31525.100S Wed Nov 6 04:48:49 2024 -24.65227 -24.65073 -24.64279 -19.13022 -19.12850 -19.12422 -19.12398 -19.12032 -19.11879 -19.11864 -19.11780 -19.11650 -19.11637 -19.11350 -19.11152 -19.11062 -19.10852 -19.10657 -6.85754 -1.20169 -1.16116 -1.15493 -1.02648 -1.02260 -1.02055 -1.01515 -1.01189 -1.01133 -1.01024 -1.00815 -1.00333 -1.00178 -0.99735 -0.99615 -0.99109 -0.98570 -0.98378 -0.58077 -0.54436 -0.54025 -0.53721 -0.53544 -0.53178 -0.52964 -0.52780 -0.52670 -0.52566 -0.52358 -0.52215 -0.51960 -0.51931 -0.51680 -0.51395 -0.50071 -0.49587 -0.44617 -0.43369 -0.43274 -0.42236 -0.42073 -0.41803 -0.41432 -0.41121 -0.40754 -0.40547 -0.40389 -0.39988 -0.39506 -0.39078 -0.38817 -0.38580 -0.37889 -0.37707 -0.37337 -0.37135 -0.35495 -0.32850 -0.32667 -0.32438 -0.32259 -0.32064 -0.32036 -0.31919 -0.31898 -0.31803 -0.31716 -0.31541 -0.31466 -0.31199 -0.31011 -0.30732 -0.00576 0.01584 0.02276 0.02485 0.04747 0.05563 0.06195 0.06720 0.07420 0.08621 0.09026 0.10162 0.10770 0.10879 0.11008 0.11418 0.11753 0.12936 0.13246 0.13652 0.13980 0.14164 0.14813 0.15094 0.15227 0.15567 0.15625 0.16393 0.16707 0.16946 0.17715 0.17814 0.18032 0.18121 0.18799 0.19195 0.19490 0.19837 0.20349 0.20547 0.20915 0.20939 0.21456 0.21766 0.22023 0.22817 0.23302 0.23402 0.23797 0.23867 0.24269 0.24481 0.25060 0.25491 0.25543 0.25758 0.25930 0.26329 0.26538 0.26929 0.27296 0.27345 0.27639 0.28211 0.28358 0.28604 0.28857 0.28984 0.29276 0.29539 0.29650 0.29779 0.30373 0.30521 0.30774 0.31236 0.31886 0.32474 0.33148 0.33768 0.34651 0.35324 0.35992 0.36447 0.37186 0.37391 0.37975 0.39421 0.39675 0.41842 0.42022 0.43833 0.44855 0.46032 0.46420 0.47148 0.47963 0.48487 0.49207 0.49615 0.50151 0.50584 0.51505 0.51589 0.52193 0.53119 0.53690 0.54316 0.54585 0.54869 0.56224 0.56743 0.57231 0.57896 0.58490 0.58902 0.59396 0.59958 0.60019 0.60632 0.61206 0.61458 0.62080 0.62936 0.63187 0.63914 0.64794 0.65125 0.66333 0.67124 0.67534 0.68129 0.68849 0.68987 0.70092 0.70307 0.71432 0.71512 0.73490 0.77020 0.78501 0.83562 0.94204 0.95399 0.96389 0.96768 0.97402 0.98410 0.98927 0.99501 1.00011 1.00291 1.01002 1.01345 1.01437 1.01919 1.02579 1.03009 1.04034 1.05112 1.05791 1.05965 1.06179 1.06426 1.07366 1.07778 1.07968 1.08331 1.08751 1.09027 1.09806 1.10071 1.10600 1.11249 1.11539 1.11964 1.12663 1.13989 1.14059 1.14469 1.15719 1.16445 1.17182 1.18340 1.19097 1.20628 1.22062 1.23509 1.24651 1.24723 1.25645 1.26227 1.26673 1.27840 1.28789 1.29616 1.30605 1.30714 1.31179 1.31727 1.32348 1.32510 1.33281 1.33983 1.35355 1.35887 1.35921 1.36513 1.37289 1.37831 1.38530 1.38809 1.39308 1.40079 1.40491 1.41092 1.41581 1.43107 1.43183 1.43702 1.44863 1.45020 1.45254 1.46441 1.46815 1.47414 1.48040 1.48338 1.48994 1.49914 1.50547 1.51298 1.51742 1.52506 1.53199 1.53665 1.54493 1.55439 1.56156 1.56661 1.57280 1.57625 1.59476 1.59995 1.61878 1.62748 1.63567 1.64705 1.65180 1.65704 1.65948 1.66972 1.67606 1.69614 1.69948 1.70275 1.70840 1.72140 1.72939 1.74432 1.75003 1.76298 1.76638 1.77071 1.77339 1.79423 1.79878 1.80794 1.81408 1.83381 1.84011 1.84928 1.86173 1.92143 2.01590 2.03451 2.03544 2.04374 2.07471 2.12342 2.13768 2.17006 2.18202 2.19483 2.22604 2.23707 2.25357 2.26727 2.27491 2.28488 2.29998 2.30307 2.31405 2.33822 2.33926 2.34204 2.35871 2.36978 2.39226 2.39670 2.40343 2.42307 2.42963 2.44065 2.44865 2.47387 2.49566 2.52503 2.57238 2.58365 2.59000 2.59650 2.64725 2.66911 2.68029 2.69070 2.69716 2.70391 2.71333 2.72386 2.74714 2.75109 2.76003 2.76562 2.77069 2.77719 2.78510 2.79304 2.80138 2.80894 2.81711 2.83198 2.84360 2.84793 2.86848 2.89853 2.90699 2.97744 3.06988 3.08415 3.08664 3.09135 3.09179 3.09824 3.09996 3.10461 3.11079 3.11600 3.12542 3.12652 3.12923 3.13368 3.13737 3.14298 3.14519 3.14819 3.15365 3.15893 3.16369 3.16481 3.17021 3.17476 3.17609 3.17854 3.19558 3.20869 3.21170 3.22975 3.24678 3.30764 3.31242 3.31360 3.32310 3.33252 3.33612 3.34274 3.34878 3.35616 3.36630 3.36752 3.38293 3.39456 3.41509 3.58299 3.67638 3.68641 3.71007 3.71243 3.71854 3.73184 3.74165 3.75358 3.75529 3.76171 3.77041 3.78357 3.78900 3.80551 3.81950 3.82431 3.83941 3.85286 3.85916 3.86796 3.88364 3.90577 3.90925 3.91750 3.92465 3.92697 3.93727 3.94479 3.94799 3.95048 3.95387 3.95629 3.96145 3.96728 3.96989 3.98097 3.98498 4.02209 4.09745 4.21135 4.23023 4.38207 4.66175 4.66528 5.00876 5.01242 5.01716 5.02844 5.04403 5.04584 5.05025 5.05755 5.06083 5.06795 5.12099 5.15653 5.16771 5.19549 5.21403 5.34985 5.37167 5.38288 5.38774 5.40163 5.41010 5.42269 5.43776 5.44593 5.46480 5.47473 5.47696 5.49784 5.52689 5.54150 5.63539 5.66756 5.67544 5.67648 5.69054 5.69596 5.71857 5.72080 5.72129 5.73271 5.74221 5.74453 5.76586 5.76925 5.82440 6.36672 6.42791 6.43529 6.43757 6.46940 6.49585 6.56714 6.66987 6.71169 14.58737 49.88050 49.88254 49.88838 49.90558 49.92133 49.92869 49.93667 49.93772 49.94212 49.94591 49.94960 49.95668 49.97291 49.98237 50.01628 66.85283 66.87011 66.87688 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 1.066912 -0.489376 -0.455745 -0.449696 -0.956395 0.451924 0.372862 -0.707750 0.387784 -0.647717 0.315073 0.312581 0.313212 -0.888377 0.439091 -0.695736 0.310798 -0.800049 0.404447 0.378824 -0.741075 0.311823 0.404010 -0.807846 0.405035 0.393764 -0.709293 0.299998 0.372871 -0.806952 0.413855 0.387298 -0.721027 0.312898 0.398963 -0.751038 0.387910 0.374104 -0.693200 0.311392 0.369568 -0.690766 0.367300 0.300053 -0.913104 0.437387 0.484413 0.438992 -1.00000 1.4176 5.1096 0.5244 5.3284 -160.2079 -169.6004 -179.3428 -8.0570 -20.7414 -9.8209 9.5091 0.1166 -9.6258 -8.0570 -20.7414 -9.8209 16.2191 145.8878 0.9627 -60.4452 21.1993 -26.8573 41.2982 -8.1741 -1.3319 -23.3601 -4011.5397 -3326.5265 -3197.0053 161.0962 -439.5867 -135.4770 -46.4453 -73.4393 -141.0037 -1310.9775 -1417.5440 -1154.4390 -84.0282 -97.7199 -52.8384 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GANDULLAS LAMSABHI 06-Nov-2024 0 Wavefunction 14H2OBF3OH CONF160 water -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.4956868 RMSD=7.202e-09 Dipole=1.7952055,1.079832,0.0770341 Quadrupole=-14.3935688,1.9840635,12.4095053,6.5451102,-11.0893332,5.4065914 PG=C01 [X(B1F3H29O15)] 0 1.3647957272 1.2685556993 -0.3051496067 0 1.7852053282 0.574442652 -1.4860646446 0 2.5317138692 1.5534224377 0.4616769408 0 0.8202008619 2.5345395735 -0.7264822474 0 0.4063181245 0.4836934774 0.4008229821 0 -0.3668751158 -2.300315289 -0.80257181 0 0.83774392 -0.8576564365 1.4520873224 0 -0.3561945069 -0.4262691345 -3.1798238753 0 -0.7002205608 -0.8709316869 -2.3692596545 0 -0.1934909364 4.258558021 1.2716202505 0 0.2787882031 3.7801384855 0.5699751371 0 0.4780009468 -0.0385958158 -2.8707821175 0 0.4924658943 4.5216138978 1.8981817191 0 -1.0153040599 -1.5601158159 -0.7680596524 0 -0.5358243223 -0.8228422097 -0.3296451472 0 1.025729627 -1.5380054681 2.1400403028 0 0.8117614055 -2.3821092485 1.7216185801 0 -3.3272003517 1.4014492707 -0.0201445929 0 -3.4400005593 0.4283999855 0.0671365775 0 -2.7609312102 1.5318021728 -0.810077195 0 -3.329438391 -1.7510448821 3.0539300842 0 -4.0580747531 -1.3188505364 3.5159204398 0 -2.5258700203 -1.2323271221 3.2980748114 0 0.9233341673 -3.498153014 -1.1680940051 0 0.8066928942 -3.4409914058 -2.1390996252 0 1.7306647286 -2.9664529778 -0.9979644349 0 3.1674601525 -1.850805642 -0.9163711784 0 2.7392560505 -1.0450756306 -1.2468152546 0 3.4356684532 -1.6029786565 -0.0075523358 0 -3.5489967545 -1.3549789559 0.3004876668 0 -3.4833426417 -1.5008664899 1.2686862103 0 -2.6532814643 -1.5483146913 -0.0484983051 0 0.4904939688 -3.0315936215 -3.9236242575 0 1.3272229921 -3.0059300663 -4.4039563097 0 0.2373504866 -2.093517837 -3.8006175235 0 -1.0608450763 -0.324540343 3.6327384549 0 -1.1717341915 0.476401586 3.0815692854 0 -0.3408741167 -0.8217169972 3.196900097 0 3.6949789725 -0.8124583086 1.6666553758 0 3.4671918841 0.0717303345 1.3373252909 0 2.8370464223 -1.1579785397 1.9861381538 0 -1.6196012214 1.9747420776 -2.1773824794 0 -1.3023220111 1.1658460002 -2.6228424645 0 -0.8414247524 2.2822476869 -1.6862354527 0 -1.4452552714 1.8399767478 1.9150842589 0 -1.0924410642 2.7474151191 1.8109890061 0 -0.2070614874 1.0100777686 0.9643427565 0 -2.1725572176 1.7448858157 1.253410611 Gaussian 16 6-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(BF3H29O15)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3648,1.2686,-.3051;1.7852,.5744,-1.4861;2.5317,1.5534,.4617;.8202,2.5345,-.7265;.4063,.4837,.4008;-.3669,-2.3003,-.8026;.8377,-.8577,1.4521;-.3562,-.4263,-3.1798;-.7002,-.8709,-2.3693;-.1935,4.2586,1.2716;.2788,3.7801,.57;.478,-.0386,-2.8708;.4925,4.5216,1.8982;-1.0153,-1.5601,-.7681;-.5358,-.8228,-.3296;1.0257,-1.538,2.14;.8118,-2.3821,1.7216;-3.3272,1.4014,-.0201;-3.44,.4284,.0671;-2.7609,1.5318,-.8101;-3.3294,-1.751,3.0539;-4.0581,-1.3189,3.5159;-2.5259,-1.2323,3.2981;.9233,-3.4982,-1.1681;.8067,-3.441,-2.1391;1.7307,-2.9665,-.998;3.1675,-1.8508,-.9164;2.7393,-1.0451,-1.2468;3.4357,-1.603,-.0076;-3.549,-1.355,.3005;-3.4833,-1.5009,1.2687;-2.6533,-1.5483,-.0485;.4905,-3.0316,-3.9236;1.3272,-3.0059,-4.404;.2374,-2.0935,-3.8006;-1.0608,-.3245,3.6327;-1.1717,.4764,3.0816;-.3409,-.8217,3.1969;3.695,-.8125,1.6667;3.4672,.0717,1.3373;2.837,-1.158,1.9861;-1.6196,1.9747,-2.1774;-1.3023,1.1658,-2.6228;-.8414,2.2822,-1.6862;-1.4453,1.84,1.9151;-1.0924,2.7474,1.811;-.2071,1.0101,.9643;-2.1726,1.7449,1.2534; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OBF3OH/water/CONF160/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=W 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 14H2OBF3OH CONF160 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 11 19 19 19 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 3 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1116 A 1002 A 1002 1421 1116 91 91 2090.3202940018 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0582732417 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.432863 0.000000 1.425086 2.304208 0.000000 1.441118 2.313045 2.302952 0.000000 1.425863 2.338784 2.380195 2.376570 0.000000 3.997869 3.655523 4.985122 4.979032 3.129967 0.000000 2.808281 3.403135 3.108657 4.031559 1.757983 2.935278 0.000000 3.754729 2.907892 5.051705 4.021092 3.772332 3.027126 4.802727 0.000000 3.619703 3.007737 4.933264 4.075246 3.276094 2.146804 4.119248 0.986455 0.000000 3.722173 5.009269 3.924348 2.827052 3.920161 6.881217 5.222228 6.464475 6.310661 0.000000 2.872856 4.095495 3.169490 1.877617 3.303245 6.266792 4.753914 5.670808 5.588382 0.971719 0.000000 3.012892 2.000510 4.225819 3.366920 3.313808 3.179101 4.414462 0.970402 1.527257 6.006324 5.144048 0.000000 4.024676 5.357654 3.877143 3.308283 4.307471 7.387236 5.408768 7.140582 6.979477 0.965564 1.536091 6.598389 0.000000 3.725660 3.593706 4.877264 4.487428 2.750355 0.984655 2.975952 2.745294 1.771467 6.220341 5.655380 2.994399 6.809526 0.000000 2.826111 2.945656 3.960128 3.642567 1.768686 1.560490 2.249994 2.883237 2.046794 5.338714 4.760288 2.846096 5.880800 0.982690 0.000000 3.737741 4.264725 3.826463 4.984458 2.737848 3.343566 0.985643 5.607729 4.874185 5.986719 5.595148 5.258952 6.087845 3.552936 3.008198 0.000000 4.212006 4.469678 4.475947 5.492422 3.181464 2.787008 1.548315 5.404958 4.615737 6.731381 6.291553 5.166585 6.913358 3.195675 2.907745 0.966111 0.000000 4.702522 5.382337 5.880657 4.357034 3.867641 4.804038 4.961631 4.706485 4.193218 4.433042 4.359995 4.967839 5.291999 3.830811 3.582603 5.679330 5.871972 0.000000 4.891884 5.453122 6.089558 4.818192 3.861162 4.200759 4.676658 4.558845 3.889818 5.163402 5.031539 4.919369 5.964178 3.245135 3.187049 5.301549 5.358521 0.983446 0.000000 4.164838 4.694769 5.443337 3.719809 3.549124 4.518483 4.876204 3.902884 3.528556 4.284905 4.024855 4.147690 5.182493 3.550906 3.275098 5.697869 5.873016 0.980636 1.564652 0.000000 6.514387 7.223505 7.210575 7.062383 5.097932 4.893985 4.552961 7.032418 6.090843 7.009003 7.055730 7.247847 7.435654 4.472055 4.484910 4.455117 4.395774 4.403199 3.699073 5.102042 0.000000 7.120588 7.921385 7.810485 7.526232 5.734440 5.765206 5.333024 7.702831 6.790520 7.146984 7.313458 7.937569 7.578623 5.260147 5.238382 5.271256 5.297673 4.520837 3.915228 5.340698 0.964955 0.000000 5.863013 6.688631 6.433095 6.448452 4.465033 4.755750 3.855120 6.878982 5.965089 6.300502 6.358730 6.964412 6.646645 4.350023 4.157922 3.748112 3.866135 4.311553 3.746013 4.957073 0.987115 1.550030 0.000000 4.864265 4.174921 5.546301 6.049714 4.310906 1.798072 3.720873 3.888537 3.313762 8.207684 7.510649 3.881495 8.596764 2.770259 3.160606 3.846611 3.099749 6.587180 5.998525 6.245193 6.242111 7.176614 6.080924 0.000000 5.084750 4.184215 5.889304 6.140248 4.691978 2.112986 4.423936 3.394697 2.988138 8.480356 7.730620 3.495668 8.933166 2.955861 3.454154 4.688323 4.003299 6.710311 6.154192 6.262820 6.850625 7.755559 6.748855 0.979655 0.000000 4.306873 3.574795 4.816794 5.582434 3.951457 2.209432 3.353667 3.945634 3.490109 7.813717 7.076926 3.694450 8.123543 3.093701 3.190406 3.519158 2.929500 6.754014 6.276563 6.359562 6.595431 7.523248 6.291362 0.981546 1.543081 0.000000 3.654259 2.849036 3.727192 4.977644 3.848219 3.564623 3.467495 4.423648 4.246174 7.308052 6.500860 3.786425 7.462240 4.195475 3.887836 3.745198 3.576393 7.318538 7.058371 6.826358 7.614653 8.493323 7.110420 2.795214 3.097899 1.820908 0.000000 2.851099 1.894807 3.116763 4.094773 3.239513 3.379501 3.306804 3.701521 3.622183 6.562930 5.712908 2.960328 6.776954 3.819842 3.408334 3.827524 3.783450 6.655231 6.486972 6.089589 7.471536 8.304355 6.957919 3.053090 3.204900 2.184233 0.970440 0.000000 3.552856 3.106637 3.316652 4.947382 3.701072 3.946856 3.071688 5.081946 4.818623 7.011754 6.267167 4.403768 7.057259 4.515680 4.060186 3.228650 3.237586 7.400212 7.169861 6.990618 7.427063 8.285637 6.826748 3.354157 3.851402 2.397293 0.979441 1.527095 0.000000 5.603132 5.947113 6.742390 5.939100 4.362946 3.498042 4.562566 4.813425 3.934130 6.611680 6.410460 5.292119 7.308925 2.757440 3.124011 4.934123 4.700087 2.783863 1.801881 3.191850 2.790434 3.255683 3.169757 5.172202 5.410644 5.670772 6.843784 6.483233 6.995852 0.000000 5.800957 6.297075 6.794178 6.227816 4.452092 3.826434 4.372544 5.542838 4.623552 6.632805 6.521567 5.913178 7.243866 3.200478 3.420854 4.592643 4.407908 3.179450 2.273251 3.747027 1.809246 2.326695 2.259930 5.417181 5.812185 5.871245 7.009287 6.727275 7.036471 0.981327 0.000000 4.913815 5.125706 6.063434 5.403188 3.700283 2.522258 3.862127 4.042375 3.107930 6.443062 6.113261 4.477663 7.108398 1.789100 2.255876 4.280763 3.979328 3.025901 2.130657 3.174699 3.181721 3.838122 3.363872 4.224635 4.463660 4.704422 5.892855 5.546952 6.089333 0.980549 1.557635 0.000000 5.687622 4.541087 6.664819 6.427462 5.573614 3.318255 5.809033 2.838633 2.915872 8.978013 8.163146 3.172801 9.536476 3.793450 4.341497 6.267800 5.691556 7.033051 6.583807 6.410189 8.057168 8.886495 8.030489 2.828069 1.857987 3.178325 4.195710 4.021006 5.103980 6.080431 6.715251 5.205770 0.000000 5.922234 4.641434 6.775904 6.669160 6.009280 4.042008 6.256830 3.314671 3.578929 9.343315 8.478793 3.446284 9.852801 4.560434 4.983656 6.713389 6.178796 7.765723 7.383205 7.086606 8.881402 9.724820 8.792797 3.297911 2.364277 3.430030 4.109019 3.975717 5.073675 6.973876 7.588520 6.077752 0.965139 0.000000 4.979254 3.856297 6.060646 5.586496 4.931802 3.065311 5.429432 1.875473 2.102984 8.140153 7.321450 2.268306 8.735065 3.324164 3.776250 6.018434 5.559526 6.262012 5.902754 5.574582 7.734604 8.519537 7.666060 3.061659 2.213702 3.293458 4.118656 3.725677 4.985701 5.630358 6.316062 4.767746 0.979387 1.544129 0.000000 4.891692 5.925396 5.146732 5.542155 3.640204 4.904820 2.940084 6.849663 6.037597 5.227999 5.293725 6.689215 5.376493 4.571186 4.027957 2.838034 3.375296 4.632382 4.352105 5.106360 2.741614 3.160013 1.755669 6.087428 6.820123 6.017943 6.395502 6.226555 5.924927 4.284460 3.583431 4.193445 8.175170 8.802340 7.750443 0.000000 4.304806 5.442094 4.662546 4.764976 3.110740 4.841953 2.910829 6.378477 5.634640 4.305529 4.396225 6.198172 4.531414 4.357926 3.705239 3.126205 3.735613 3.888750 3.772816 4.334089 3.101285 3.426741 2.190961 6.184338 6.820229 6.076163 6.342557 6.028735 5.924074 4.091424 3.541139 4.011456 8.008856 8.625805 7.480274 0.978566 0.000000 4.420735 5.329131 4.623256 5.292021 3.174971 4.264118 2.105897 6.388992 5.577964 5.434852 5.334959 6.172569 5.561682 4.089131 3.531930 1.870195 2.437180 4.920365 4.578515 5.239427 3.132987 3.763841 2.225544 5.273965 6.053958 5.146655 5.503311 5.411441 5.014096 4.354954 3.748915 4.050652 7.501773 8.082472 7.135620 0.977496 1.545555 0.000000 3.694372 3.938321 2.898715 5.019348 3.754681 4.980910 2.865637 6.328468 5.967395 6.402457 5.827951 5.615706 6.225915 5.354773 4.678143 2.806315 3.283256 7.553654 7.416611 7.301270 7.221351 7.986617 6.444904 4.788609 5.452995 3.949484 2.833455 3.075033 1.869528 7.391612 7.222229 6.616921 6.815021 6.875312 6.594496 5.169275 5.229535 4.316230 0.000000 2.924070 3.324655 1.958900 4.163087 3.227336 4.990574 2.791223 5.938933 5.656387 5.561874 4.950458 5.162906 5.381916 5.214244 4.427549 3.032547 3.635976 7.055115 7.032062 6.747790 7.243164 7.956735 6.439091 5.049000 5.612753 4.207097 2.977437 2.907736 2.148101 7.234462 7.126549 6.481145 6.794773 6.856659 6.443495 5.092060 4.972502 4.331008 0.970636 0.000000 3.647683 4.020428 3.125525 5.006063 3.334179 4.398517 2.091080 6.117136 5.618198 6.247684 5.738920 5.514326 6.145125 4.752675 4.105049 1.857142 2.381228 6.969489 6.752813 6.811101 6.286290 7.064617 5.521556 4.368969 5.133427 3.660537 3.002290 3.236402 2.128656 6.607706 6.370214 5.868203 6.628879 6.821129 6.412503 4.312710 4.465590 3.417337 0.978520 1.526508 0.000000 3.593130 3.745860 4.937161 2.893289 3.602044 4.662139 5.218628 2.892393 2.996654 4.375526 3.796223 2.989024 5.249534 3.853127 3.523519 6.162573 6.332131 2.810380 3.277635 1.835308 6.646177 7.014813 6.409934 6.118641 5.934521 6.085287 6.256271 5.383762 6.562317 4.577057 5.237249 4.244122 5.706598 6.200685 4.757510 6.273469 5.486546 6.191788 7.126702 6.469164 6.856424 0.000000 3.534935 3.342880 4.936021 3.158260 3.539398 4.025260 5.027872 1.933964 2.138994 5.095215 4.419108 2.163725 5.909492 3.309602 3.130679 5.951108 5.994304 3.306006 3.514183 2.355331 6.696507 7.173026 6.504273 5.368680 5.089686 5.377279 5.656075 4.807908 6.079037 4.466314 5.197326 3.977312 4.746022 5.243147 3.792255 6.435204 5.747408 6.224483 6.876518 6.295100 6.616437 0.976429 0.000000 2.793274 3.139403 4.064822 1.935401 3.024479 4.691049 4.746333 3.130865 3.229396 3.615872 2.930706 2.920676 4.431938 3.954369 3.402251 5.720226 6.008554 3.119414 3.641931 2.239493 6.702748 7.097688 6.327159 6.065961 5.973010 5.885424 5.809129 4.907692 6.017183 4.950498 5.479347 4.542930 5.917502 6.328812 4.978121 5.927476 5.109026 5.807767 6.434131 5.708983 6.233188 0.970229 1.528402 0.000000 3.626616 4.858525 4.243912 3.548603 2.749694 5.068587 3.564222 5.681550 5.124422 2.798302 2.923332 5.489305 3.308508 4.352557 3.599511 4.191317 4.791405 2.734801 3.063734 3.041789 4.212191 4.400874 3.538282 6.603926 7.028250 6.455547 6.551043 5.985923 6.274862 4.152155 3.966467 4.098232 7.846645 8.432065 7.139523 2.789846 1.815169 3.153938 5.789571 5.252869 5.227896 4.098395 4.589952 3.678277 0.000000 3.564138 4.886023 4.047315 3.184694 3.059295 5.730334 4.104993 5.960079 5.542630 1.839180 2.118231 5.669844 2.380612 5.021182 4.199866 4.791633 5.472293 3.187291 3.732277 3.336400 5.175442 5.313783 4.483803 7.207316 7.583290 6.964800 6.835853 6.197988 6.537338 5.014571 4.904936 4.934289 8.293878 8.808025 7.529482 3.571649 2.603491 3.901834 5.967656 5.307909 5.542892 4.096587 4.712141 3.536943 0.979162 0.000000 2.036948 3.188009 2.837038 2.497627 0.985327 3.755826 2.194982 4.388559 3.859314 3.263009 2.839861 4.034502 3.700308 3.203181 2.267617 3.065088 3.621933 3.295095 3.405176 3.153254 4.662554 5.173467 3.981402 5.113631 5.520061 4.839238 4.807196 4.218253 4.587170 4.147617 4.139020 3.681740 6.380745 6.877571 5.703916 3.103303 2.387059 2.890967 4.363577 3.810479 3.874420 3.577189 3.753899 3.007723 1.767983 2.125805 0.000000 3.894723 4.953640 4.774271 3.674252 2.994680 4.883769 3.984296 5.259910 4.704680 3.199310 3.258594 5.216822 3.902345 4.043342 3.431936 4.668247 5.114437 1.753024 2.178714 2.156286 4.098997 4.249777 3.628950 6.552685 6.875928 6.519244 6.793580 6.177453 6.652099 3.523040 3.500471 3.573686 7.530491 8.174626 6.788534 3.343595 2.439849 3.704007 6.413951 5.883304 5.836064 3.482662 4.014715 3.271420 0.987837 1.575630 2.118178 0.000000 BF3H29O15(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.7972096 AuxInfo=1/0/N:1;2;3;4;5;8;10;14;16;18;21;24;27;30;33;36;39;42;45;6;7;9;11;12;13;15;17;19;20;22;23;25;26;28;29;31;32;34;35;37;38;40;41;43;44;46;47;48/rA:48nB0F0F0F0O0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4294,1.8618,-.3844;1.7487,1.4966,-.8076;.5577,2.9583,.5169;-.2696,2.3525,-1.5452;-.2222,.7328,.1934;1.3735,-1.9562,.3326;.0588,.1907,1.842;1.9193,-.897,-2.4501;1.4252,-1.3492,-1.7259;-2.9581,3.1618,-1.2146;-2.0025,3.0484,-1.3494;2.0674,-.0106,-2.0839;-3.036,3.8977,-.5943;.5865,-1.8581,-.2509;.2636,-.944,-.0901;.0878,-.0856,2.7876;.617,-.8938,2.7956;-2.7561,-1.1962,-2.0013;-2.4087,-1.9646,-1.4953;-1.9827,-.8172,-2.4701;-3.1014,-3.0846,1.9614;-4.0498,-3.2093,1.8343;-2.9965,-2.1327,2.2005;2.987,-1.9905,1.1256;3.4771,-2.1517,.2928;3.133,-1.036,1.3017;3.4454,.757,1.3583;2.9871,1.0059,.5399;2.9406,1.2337,2.0492;-1.7551,-3.2971,-.4735;-2.2326,-3.235,.3816;-.8863,-2.872,-.3127;4.1664,-2.2973,-1.4265;4.972,-1.7708,-1.4989;3.4779,-1.7763,-1.8889;-2.7197,-.4385,2.5686;-2.8419,-.0053,1.6997;-1.7612,-.3634,2.7449;1.7013,2.1933,3.0683;1.3303,2.6352,2.2878;1.1353,1.4009,3.1646;-.6479,.1053,-3.3279;.2145,-.3197,-3.1575;-.607,.9188,-2.8007;-2.9643,.6456,.0097;-3.119,1.5276,-.3863;-1.2056,.7675,.143;-2.9724,-.0015,-.7367; 0.2171251 0.1841831 0.1699720 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 1002 RedAO= T EigKep= 2.64D-05 NBF= 1002 NBsUse= 1002 1.00D-06 EigRej= -1.00D+00 NBFU= 1002 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1089 1089 1089 1089 1089 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1471.50680660679 -1471.55733649463 -0.050529887835 -1471.55756179864 -0.000225304012 -1471.55771792401 -0.000156125373 -1471.55773234391 -0.000014419893 -1471.55773346709 -0.000001123180 -1471.55773350359 -0.000000036501 -1471.55773351837 -0.000000014783 -1471.55773351855 -0.000000000183 -1471.55773352 9 1.466498645430e+03 -7.684629117621e+03 2.656296517445e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11322110188 LenY= 11320863616 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT6970S Wed Nov 6 05:03:25 2024 -24.65035 -24.64877 -24.64086 -19.12996 -19.12802 -19.12393 -19.12355 -19.12000 -19.11857 -19.11838 -19.11737 -19.11593 -19.11583 -19.11339 -19.11031 -19.10931 -19.10823 -19.10646 -6.84762 -1.19813 -1.15834 -1.15204 -1.02502 -1.02125 -1.01928 -1.01387 -1.01070 -1.01001 -1.00885 -1.00682 -1.00203 -1.00052 -0.99570 -0.99463 -0.98984 -0.98406 -0.98260 -0.57745 -0.54225 -0.53867 -0.53529 -0.53410 -0.53034 -0.52830 -0.52636 -0.52552 -0.52428 -0.52226 -0.52094 -0.51833 -0.51806 -0.51534 -0.51221 -0.49806 -0.49325 -0.44510 -0.43297 -0.43213 -0.42220 -0.42030 -0.41773 -0.41408 -0.41072 -0.40726 -0.40552 -0.40359 -0.39968 -0.39496 -0.39064 -0.38807 -0.38555 -0.37848 -0.37693 -0.37325 -0.37077 -0.35368 -0.32857 -0.32661 -0.32440 -0.32232 -0.32071 -0.32049 -0.31928 -0.31897 -0.31798 -0.31714 -0.31539 -0.31452 -0.31209 -0.31011 -0.30750 -0.00611 0.01519 0.02205 0.02417 0.04617 0.05465 0.06075 0.06603 0.07290 0.08474 0.08873 0.09994 0.10628 0.10756 0.10852 0.11231 0.11560 0.12766 0.13065 0.13463 0.13809 0.14003 0.14657 0.14871 0.15033 0.15336 0.15435 0.16116 0.16454 0.16694 0.17435 0.17563 0.17744 0.17841 0.18482 0.18808 0.19235 0.19433 0.19949 0.20234 0.20300 0.20597 0.20971 0.21348 0.21722 0.22380 0.22706 0.22989 0.23099 0.23613 0.23849 0.24042 0.24375 0.24765 0.25174 0.25299 0.25474 0.25737 0.26207 0.26333 0.26705 0.26900 0.27108 0.27415 0.27729 0.27842 0.28213 0.28404 0.28601 0.28711 0.28934 0.29133 0.29484 0.29885 0.30025 0.30132 0.30466 0.31375 0.31802 0.32511 0.33312 0.34153 0.34669 0.35051 0.35416 0.36228 0.37259 0.37948 0.38337 0.39875 0.40582 0.41497 0.42636 0.42864 0.43640 0.44023 0.44171 0.45210 0.45726 0.46485 0.46805 0.47399 0.48118 0.48753 0.49393 0.50080 0.50130 0.50496 0.50946 0.51203 0.52059 0.52711 0.53644 0.54183 0.54430 0.54486 0.54789 0.55129 0.55645 0.56375 0.56801 0.57384 0.57501 0.58114 0.58533 0.58946 0.59094 0.59466 0.60118 0.60313 0.60908 0.61089 0.62000 0.62514 0.62616 0.63964 0.64267 0.64810 0.65206 0.65788 0.65927 0.66946 0.67384 0.67940 0.68287 0.68357 0.69231 0.69722 0.70534 0.70904 0.72070 0.72509 0.72855 0.73470 0.73783 0.74056 0.74823 0.75281 0.75741 0.76372 0.77101 0.77323 0.78671 0.78891 0.79114 0.79432 0.80285 0.80915 0.81152 0.81490 0.81804 0.82202 0.83426 0.84260 0.84748 0.85045 0.85807 0.85912 0.86357 0.86574 0.87222 0.88199 0.88667 0.89137 0.89259 0.89881 0.90897 0.91348 0.91797 0.92010 0.92766 0.93577 0.93770 0.94038 0.94516 0.94628 0.95550 0.95696 0.96262 0.96628 0.96843 0.97957 0.98186 0.98304 0.99017 0.99488 0.99940 1.00483 1.00783 1.00931 1.01167 1.01403 1.01924 1.02215 1.02908 1.03345 1.03649 1.04214 1.04369 1.04475 1.05268 1.05736 1.05841 1.06496 1.06670 1.07089 1.07275 1.08046 1.08310 1.08846 1.09202 1.09418 1.10006 1.10044 1.10621 1.10848 1.11462 1.11779 1.12228 1.13046 1.13118 1.13266 1.13939 1.14456 1.15263 1.15895 1.16357 1.16893 1.17176 1.17530 1.18235 1.18814 1.19599 1.19914 1.20803 1.21426 1.22244 1.22443 1.23012 1.23246 1.23913 1.24474 1.24952 1.25655 1.25771 1.26561 1.26652 1.27095 1.27279 1.27552 1.28641 1.29113 1.29933 1.30294 1.30560 1.31240 1.31508 1.32315 1.32869 1.33192 1.33636 1.34676 1.34999 1.35880 1.36648 1.37002 1.37273 1.38414 1.38588 1.40085 1.40336 1.40520 1.41251 1.41594 1.42331 1.42759 1.43516 1.43929 1.44944 1.45612 1.46531 1.47079 1.47431 1.47723 1.48592 1.49431 1.50174 1.50487 1.51563 1.51892 1.52239 1.52730 1.53795 1.54517 1.54861 1.55663 1.56162 1.57469 1.57957 1.58167 1.58515 1.59125 1.59932 1.60540 1.61402 1.62041 1.62970 1.63370 1.64109 1.64503 1.66113 1.67141 1.67459 1.67867 1.68464 1.70003 1.70246 1.71601 1.72111 1.72940 1.73446 1.74143 1.75244 1.76251 1.77115 1.78358 1.79688 1.80188 1.81466 1.83167 1.85071 1.85626 1.86172 1.87564 1.89649 1.90958 1.91224 1.91921 1.94356 1.94642 1.96615 1.99535 2.00838 2.02013 2.03021 2.03616 2.05084 2.05868 2.08038 2.09421 2.11504 2.12389 2.13897 2.15004 2.16605 2.17252 2.18142 2.19273 2.20916 2.21420 2.22580 2.23313 2.23560 2.24157 2.24731 2.25967 2.27542 2.28570 2.29178 2.30186 2.31713 2.32163 2.33078 2.33625 2.34495 2.35925 2.37136 2.37435 2.42845 2.43248 2.54937 2.56248 2.59135 2.65425 2.69430 2.70412 2.72426 2.73753 2.74141 2.75482 2.76242 2.76943 2.77581 2.78710 2.78908 2.79907 2.80542 2.81195 2.82192 2.83202 2.84243 2.84565 2.85154 2.85824 2.87288 2.89390 2.89692 2.90061 2.91385 2.92795 2.94604 2.97455 2.99130 3.00827 3.04199 3.07895 3.12105 3.13156 3.13985 3.14034 3.16264 3.17521 3.18047 3.18318 3.19398 3.19875 3.20686 3.21294 3.22354 3.24021 3.25364 3.26144 3.26937 3.27086 3.27816 3.29151 3.29522 3.30171 3.31715 3.32025 3.33069 3.34582 3.34707 3.34867 3.36354 3.36880 3.37099 3.37770 3.39257 3.40255 3.40437 3.41785 3.41952 3.43060 3.43744 3.44186 3.45165 3.45557 3.45808 3.46909 3.47759 3.47953 3.48541 3.49360 3.49913 3.50324 3.50709 3.50794 3.51155 3.51774 3.52497 3.53822 3.54728 3.55033 3.55362 3.55889 3.57377 3.57779 3.58319 3.59451 3.59708 3.61634 3.62551 3.63103 3.64996 3.65631 3.66281 3.70258 3.70262 3.71983 3.73324 3.74818 3.78149 3.78336 3.82248 3.83918 3.87266 3.91839 3.92791 3.93704 3.94502 3.95011 3.95445 3.97335 3.97742 3.98866 4.00185 4.01649 4.03388 4.06560 4.06938 4.08398 4.09281 4.11469 4.11829 4.13327 4.13917 4.14276 4.14621 4.15308 4.15795 4.16678 4.17083 4.18239 4.18265 4.18917 4.19691 4.20999 4.21697 4.21934 4.23064 4.24880 4.26193 4.26678 4.27962 4.29020 4.30370 4.31607 4.32184 4.33404 4.33711 4.35353 4.36512 4.36888 4.38089 4.40040 4.40727 4.41710 4.43169 4.45304 4.46302 4.48078 4.51898 4.63870 4.64752 4.65106 4.69373 4.69755 4.71904 4.73322 4.73516 4.74116 4.74605 4.75431 4.75862 4.76915 4.77522 4.77820 4.78710 4.79379 4.79906 4.80061 4.80725 4.81454 4.83486 4.85629 4.85862 4.86507 4.87872 4.89079 4.89606 4.90367 4.91501 4.92192 4.93085 4.93660 4.94193 4.96198 4.96664 4.97348 4.97957 4.98932 5.01551 5.01663 5.02803 5.02944 5.03099 5.03487 5.03680 5.04165 5.04241 5.04609 5.04995 5.05936 5.06299 5.06530 5.07857 5.09915 5.11333 5.12542 5.15253 5.15663 5.16741 5.17068 5.18337 5.18738 5.19090 5.20121 5.20298 5.20707 5.21269 5.22820 5.23859 5.24981 5.25848 5.25948 5.26767 5.27490 5.28665 5.28969 5.29133 5.29561 5.30486 5.31166 5.31754 5.32672 5.32941 5.33159 5.33919 5.34383 5.35294 5.35876 5.36189 5.36956 5.37227 5.37774 5.38677 5.38857 5.39728 5.39962 5.41068 5.41291 5.42270 5.43061 5.43512 5.43639 5.44242 5.44950 5.45101 5.45793 5.46431 5.46746 5.47204 5.47867 5.48329 5.49348 5.50572 5.52891 5.54150 5.55777 5.56746 5.57156 5.58092 5.58605 5.58874 5.59149 5.59397 5.59442 5.59717 5.60096 5.60651 5.61286 5.61424 5.62036 5.62482 5.63110 5.63291 5.64773 5.65028 5.65753 5.67255 5.67511 5.68065 5.68529 5.69938 5.70351 5.71444 5.71882 5.72490 5.73591 5.76046 5.76656 5.77637 5.78407 5.78629 5.81053 5.82872 5.83627 5.85787 5.87600 5.89606 5.90588 5.91928 5.92602 5.92754 5.94410 5.96010 5.96360 5.98618 5.99293 6.01849 6.03797 6.22456 6.51125 6.54617 6.57229 6.57642 6.64876 6.65483 6.65870 6.66628 6.67010 6.69319 6.70682 6.73281 6.76778 6.78457 6.83916 6.86246 6.87249 6.90419 6.94014 6.94618 6.96035 6.96984 6.97781 6.98549 6.98933 6.99029 6.99394 6.99908 7.01017 7.01565 7.01794 7.03101 7.04208 7.04594 7.04957 7.06030 7.07234 7.07690 7.08547 7.09560 7.10071 7.10429 7.11810 7.12451 7.12981 7.13281 7.14460 7.15539 7.15886 7.18043 7.24865 7.34173 7.39714 7.41861 7.46656 7.50408 7.67736 8.07921 8.09472 14.35867 14.36548 14.37648 14.37790 14.37986 14.38056 14.38340 14.38437 14.38606 14.38976 14.39191 14.39509 14.39580 14.39765 14.40259 14.40373 14.40742 14.41038 14.41223 14.41526 14.42104 14.42412 14.42955 14.43329 14.43560 14.43885 14.44156 14.45431 14.46104 14.46322 14.46559 14.47089 14.47550 14.48259 14.48346 14.48872 14.49143 14.49618 14.51189 14.51432 14.53765 14.54611 14.59769 14.62563 14.63588 14.67157 14.67302 14.67834 14.68251 14.68804 14.69526 14.70971 14.71143 14.71387 14.71665 14.72504 14.74607 14.74962 14.75368 14.80856 15.01960 15.06717 15.07098 15.07232 15.07637 15.07899 15.08048 15.08505 15.08739 15.09591 15.09712 15.09942 15.10067 15.10129 15.10431 16.09882 19.37697 19.37922 19.38852 19.39779 19.41806 19.41949 19.42820 19.45969 19.48826 19.51892 19.54312 19.58009 19.63599 19.66332 19.66922 50.01296 50.01421 50.01898 50.04322 50.05388 50.05769 50.05953 50.07016 50.07414 50.08350 50.08686 50.09684 50.12023 50.12835 50.27096 67.01026 67.07691 67.09390 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 B F F F O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H 1.425867 -0.491327 -0.611401 -0.536147 -1.273811 0.440794 0.632738 -0.801757 0.465522 -0.691468 0.387815 0.318994 0.285202 -0.959829 0.537711 -0.881667 0.285010 -0.890243 0.455735 0.420846 -0.807326 0.294615 0.494396 -0.859598 0.429481 0.413506 -0.741063 0.328455 0.394566 -0.924492 0.458867 0.466325 -0.748552 0.286476 0.461484 -0.834221 0.420838 0.414888 -0.756902 0.338690 0.399723 -0.723606 0.383102 0.325013 -0.953549 0.434305 0.614956 0.471038 -1.00000 1.2764 4.7021 0.5249 4.9005 -157.8960 -167.2470 -176.0603 -8.2191 -19.6291 -9.4445 9.1718 -0.1792 -8.9925 -8.2191 -19.6291 -9.4445 13.3629 137.1816 2.4487 -58.4167 20.2752 -26.2228 40.1531 -8.3754 -1.2453 -21.8125 -3971.6203 -3289.3850 -3143.9921 150.1250 -419.2185 -133.5046 -43.4379 -64.4945 -133.9147 -1288.2815 -1394.5576 -1138.8701 -80.2852 -93.5462 -49.8725 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GANDULLAS LAMSABHI 06-Nov-2024 0 Single Point 14H2OBF3OH CONF160 water -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1471.5577335 RMSD=6.696e-09 Dipole=1.6513878,0.9908751,0.0906757 Quadrupole=-14.0929749,2.2054619,11.887513,5.985163,-10.453782,5.2662602 PG=C01 [X(B1F3H29O15)] 0 1.3647957272 1.2685556993 -0.3051496067 0 1.7852053282 0.574442652 -1.4860646446 0 2.5317138692 1.5534224377 0.4616769408 0 0.8202008619 2.5345395735 -0.7264822474 0 0.4063181245 0.4836934774 0.4008229821 0 -0.3668751158 -2.300315289 -0.80257181 0 0.83774392 -0.8576564365 1.4520873224 0 -0.3561945069 -0.4262691345 -3.1798238753 0 -0.7002205608 -0.8709316869 -2.3692596545 0 -0.1934909364 4.258558021 1.2716202505 0 0.2787882031 3.7801384855 0.5699751371 0 0.4780009468 -0.0385958158 -2.8707821175 0 0.4924658943 4.5216138978 1.8981817191 0 -1.0153040599 -1.5601158159 -0.7680596524 0 -0.5358243223 -0.8228422097 -0.3296451472 0 1.025729627 -1.5380054681 2.1400403028 0 0.8117614055 -2.3821092485 1.7216185801 0 -3.3272003517 1.4014492707 -0.0201445929 0 -3.4400005593 0.4283999855 0.0671365775 0 -2.7609312102 1.5318021728 -0.810077195 0 -3.329438391 -1.7510448821 3.0539300842 0 -4.0580747531 -1.3188505364 3.5159204398 0 -2.5258700203 -1.2323271221 3.2980748114 0 0.9233341673 -3.498153014 -1.1680940051 0 0.8066928942 -3.4409914058 -2.1390996252 0 1.7306647286 -2.9664529778 -0.9979644349 0 3.1674601525 -1.850805642 -0.9163711784 0 2.7392560505 -1.0450756306 -1.2468152546 0 3.4356684532 -1.6029786565 -0.0075523358 0 -3.5489967545 -1.3549789559 0.3004876668 0 -3.4833426417 -1.5008664899 1.2686862103 0 -2.6532814643 -1.5483146913 -0.0484983051 0 0.4904939688 -3.0315936215 -3.9236242575 0 1.3272229921 -3.0059300663 -4.4039563097 0 0.2373504866 -2.093517837 -3.8006175235 0 -1.0608450763 -0.324540343 3.6327384549 0 -1.1717341915 0.476401586 3.0815692854 0 -0.3408741167 -0.8217169972 3.196900097 0 3.6949789725 -0.8124583086 1.6666553758 0 3.4671918841 0.0717303345 1.3373252909 0 2.8370464223 -1.1579785397 1.9861381538 0 -1.6196012214 1.9747420776 -2.1773824794 0 -1.3023220111 1.1658460002 -2.6228424645 0 -0.8414247524 2.2822476869 -1.6862354527 0 -1.4452552714 1.8399767478 1.9150842589 0 -1.0924410642 2.7474151191 1.8109890061 0 -0.2070614874 1.0100777686 0.9643427565 0 -2.1725572176 1.7448858157 1.253410611