Gaussian 16 GINC-GASCONES LAMSABHI Optimization 14H2O CONF377 water EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 42 42 70 70 476 (5D, 7F) 6-311+G(d,p) 120 120 C1[X(H28O14)] C1[X(H28O14)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 223.99160000000003 0 1 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9361,1.7731,.4534;2.7521,-4.2524,-1.6868;-1.5054,3.5196,2.7833;-.5292,-3.0271,-2.1244;-.7248,-2.6726,-1.2379;-.1886,.8979,2.8767;.4383,.5613,3.5247;.3975,-3.3216,-2.0496;-.5235,1.7545,3.2418;2.2241,-3.4481,-1.6846;2.2065,-3.1357,-.748;-1.1941,3.2423,3.6767;-1.9991,3.0185,4.155;2.9598,.0603,-.2826;3.8679,.3538,-.1596;2.8921,-.2267,-1.2289;-.9737,1.4751,-1.4577;-.2504,1.5682,-.7954;-.7175,.7212,-2.021;2.0603,-2.3577,.7896;1.1049,-2.162,.7679;2.4707,-1.5099,.531;-1.9751,3.8467,1.1529;-1.1357,3.8444,.6829;-2.4115,3.0206,.8617;-2.3808,-.5936,2.0685;-2.7412,.064,1.443;-1.6528,-.1072,2.5036;-3.0057,1.4337,.2482;-3.8393,1.5033,-.2285;-2.3031,1.3525,-.4481;-.6208,-1.6306,.3091;-1.3092,-1.3643,.9665;-.3633,-.7965,-.0993;-.0502,-.5679,-3.1443;-.2801,-1.4796,-2.8403;-.356,-.5123,-4.0553;2.6893,-.8871,-2.7757;1.7537,-.6917,-2.9841;.5816,1.41,1.2867;2.6693,-1.8269,-2.5185;1.6778,1.1857,.2057; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6520735/Gau-2795234.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6520735/" chk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF377/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 14H2O CONF377 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 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 1 1 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 1.0078250 1.0078250 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 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 (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 1 1 1 2 3 3 4 4 4 5 6 6 6 6 8 9 10 10 11 12 14 14 14 14 16 17 17 17 19 20 20 21 23 23 25 26 26 26 27 29 29 32 32 35 35 35 38 38 18 40 42 10 12 23 5 8 36 32 7 9 28 40 10 12 11 41 20 13 15 16 22 42 38 18 19 31 35 21 22 32 24 25 29 27 28 33 29 30 31 33 34 36 37 39 39 41 1.7347 0.9756 0.978 0.9621 0.9858 1.728 0.9746 0.9753 1.7231 1.868 0.9624 0.9896 1.8148 1.8395 1.867 1.6889 0.9875 1.8766 1.7294 0.9628 0.9623 0.9912 1.8348 1.7744 1.6941 0.9851 0.9754 1.6737 1.8354 0.9754 0.9768 1.8631 0.962 0.9787 1.8021 0.9765 0.9776 1.7196 1.8368 0.9628 0.9926 0.9884 0.9638 0.9882 0.9626 1.8152 0.9782 0.9746 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 18 18 40 5 5 8 4 7 7 7 9 9 28 4 2 2 2 8 8 11 3 3 9 15 15 15 16 16 22 18 18 19 11 11 21 3 3 24 27 27 28 25 25 25 27 27 30 5 5 5 21 21 33 19 19 19 36 36 37 16 16 39 10 1 1 1 4 4 4 5 6 6 6 6 6 6 8 10 10 10 10 10 10 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 23 23 23 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 38 38 38 41 40 42 42 8 36 36 32 9 28 40 28 40 40 10 8 11 41 11 41 41 9 13 13 16 22 42 22 42 42 19 31 31 21 22 22 24 25 25 28 33 33 27 30 31 30 31 31 21 33 34 33 34 34 36 37 39 37 39 39 39 41 41 38 108.8026 105.3978 105.5694 103.3359 94.6012 99.5349 160.9109 105.9463 118.0518 113.9986 106.3938 102.6868 108.3184 164.8284 126.3773 106.0433 126.2293 98.423 94.9743 98.7657 98.0368 104.5674 104.7815 105.9495 117.1282 116.9474 99.0516 113.3913 103.1897 105.5701 100.6384 120.0306 98.8183 96.8633 103.3866 102.9041 104.0133 103.9866 102.9967 96.968 92.5272 112.8151 112.9795 94.4426 120.043 107.0625 105.7487 95.5322 131.4757 98.4405 123.9243 95.9537 103.5786 112.0308 115.0329 110.8078 105.6929 98.1133 113.7788 103.3708 97.898 103.255 162.7822 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 12 6 10 14 1 17 20 14 23 26 6 17 26 4 35 1 1 12 6 10 14 1 17 20 14 23 26 6 17 26 4 35 1 1 3 9 11 16 18 19 21 22 25 27 28 31 33 36 39 40 42 3 9 11 16 18 19 21 22 25 27 28 31 33 36 39 40 42 23 12 20 38 17 35 32 20 29 29 26 29 32 35 38 6 14 23 12 20 38 17 35 32 20 29 29 26 29 32 35 38 6 14 1 25 5 5 2 14 1 3 1 1 2 6 1 3 1 2 4 1 25 5 5 2 14 1 3 1 1 2 6 1 3 1 2 4 -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 -2 174.4392 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 172.7247 174.5362 174.1235 182.8925 176.2851 174.0114 178.6899 172.7915 166.4459 171.8666 173.5804 168.9407 175.1056 178.1758 185.9431 176.9113 177.1052 180.1798 187.4297 183.7373 176.9404 186.3863 166.6433 165.7677 181.6824 181.0201 192.1047 170.1701 181.6587 173.2218 169.4273 182.0372 179.8942 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 18 18 18 42 42 42 18 18 18 40 40 40 40 40 42 42 5 5 5 8 8 8 7 7 28 28 40 40 7 7 9 9 40 40 2 2 8 8 41 41 9 9 13 13 8 36 5 36 4 4 4 4 4 4 2 8 11 15 15 16 16 42 42 15 15 22 22 42 42 18 18 18 19 19 19 18 18 18 31 31 31 11 11 11 22 22 22 3 3 3 24 24 24 28 28 28 33 33 33 27 27 27 28 28 28 19 19 36 36 37 37 16 39 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 12 12 12 12 4 4 4 4 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 26 26 26 35 35 35 35 35 35 38 38 6 6 6 6 6 6 14 14 14 14 14 14 17 17 17 17 35 35 35 35 35 35 12 12 12 12 12 12 26 26 26 26 26 26 20 20 20 20 20 20 23 23 23 23 5 5 8 8 32 32 32 10 10 10 41 41 41 20 20 20 20 20 20 38 38 38 38 38 38 29 29 29 29 29 29 35 35 35 35 35 35 32 32 32 32 32 32 29 29 29 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 38 38 41 41 7 9 28 7 9 28 15 16 22 15 16 22 19 31 19 31 19 37 39 19 37 39 3 13 3 13 3 13 27 33 27 33 27 33 21 22 21 22 21 22 24 25 24 25 32 32 10 10 21 33 34 2 11 41 38 38 38 11 21 11 21 11 21 39 41 39 41 39 41 25 27 30 25 27 30 36 37 39 36 37 39 5 33 34 5 33 34 27 30 31 27 30 31 25 30 31 25 30 31 5 21 34 5 21 34 16 41 16 41 16 41 10 10 151.6636 -94.8709 16.5753 37.3173 150.7828 -97.771 140.5465 16.5074 -89.038 -105.2006 130.7603 25.2149 -103.258 21.9992 9.745 135.0023 -16.0574 -144.336 98.0888 -119.9195 111.8019 -5.7732 160.9155 -92.4064 -71.3762 35.3019 40.5148 147.193 179.9743 -83.4343 57.5793 154.1707 -50.6285 45.9629 -135.7883 120.0939 -3.051 -107.1688 92.3441 -11.7737 -59.9698 47.4295 -166.6004 -59.2011 58.5539 -42.3912 -45.1922 51.8971 -61.2301 152.259 35.646 162.7631 45.6288 -54.0153 -164.2556 52.4417 -46.8925 -100.8027 160.1341 11.5344 -87.5289 126.8902 27.8269 -149.7101 105.2844 89.5191 -15.4863 -17.2083 -122.2137 56.4008 -56.7827 169.9055 171.031 57.8475 -75.4643 87.1799 -150.3537 -21.3338 -26.1684 96.298 -134.6821 9.2556 161.313 -89.3234 106.5272 -101.4154 7.9482 -7.8772 134.2166 -117.3376 98.0752 -119.8309 -11.3851 -21.8427 -161.1002 78.2355 -114.6434 106.099 -14.5652 -70.2431 141.1528 39.3545 -173.2635 38.1324 -63.6659 20.4465 120.0145 -95.3189 4.249 154.5515 -105.8806 54.14 -51.6752 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 490 A 476 A 728 490 1270.6194312255 42 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= 476 RedAO= T EigKep= 1.70D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Berny optimization. local minimum Step number 47 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00000 0.00017 0.00048 0.00078 0.00156 0.00208 0.00297 0.00330 0.00357 0.00384 0.00465 0.00494 0.00580 0.00653 0.00703 0.00781 0.00844 0.00977 0.01027 0.01073 0.01264 0.01337 0.01479 0.01559 0.01703 0.01829 0.01971 0.02267 0.02527 0.02651 0.02865 0.02974 0.03157 0.03226 0.03456 0.03623 0.03821 0.03933 0.04081 0.04096 0.04270 0.04377 0.04405 0.04551 0.04707 0.04809 0.04821 0.04993 0.05107 0.05156 0.05231 0.05302 0.05372 0.05386 0.05448 0.05493 0.05667 0.05718 0.05740 0.05827 0.05952 0.06058 0.06177 0.06206 0.06405 0.06424 0.06507 0.06569 0.06669 0.06763 0.06832 0.06885 0.07063 0.07183 0.07359 0.07510 0.07550 0.07589 0.07690 0.07822 0.08221 0.08359 0.08667 0.08727 0.08897 0.09182 0.09491 0.10403 0.11072 0.12664 0.12833 0.15848 0.38712 0.39904 0.41709 0.42892 0.44825 0.45440 0.46041 0.46768 0.47559 0.47818 0.48366 0.48853 0.49266 0.49557 0.50616 0.50758 0.51313 0.51730 0.51964 0.53022 0.54825 0.54889 0.54896 0.54963 0.54999 0.55145 0.55432 0.57962 -1.94644975e-05 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 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 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 3.34301 1.84885 1.85144 1.82314 1.86327 3.33119 1.85156 1.84776 3.32548 3.43651 1.82377 1.86496 3.41911 3.48943 3.52660 3.31056 1.86525 3.49977 3.35975 1.82379 1.82363 1.86941 3.49128 3.41863 3.29867 1.85973 1.85016 3.26390 3.43589 1.85057 1.84956 3.48225 1.82571 1.85483 3.42934 1.85104 1.85281 3.33496 3.44069 1.82372 1.87151 1.86511 1.82908 1.86753 1.82421 3.48379 1.85043 1.84829 2.02939 1.91557 1.85311 1.80674 1.63904 1.78061 2.87543 1.85575 2.08146 2.05736 1.86753 1.86088 1.72414 2.87761 2.21037 1.86007 2.24100 1.74458 1.57621 1.73246 1.69300 1.83851 1.92632 1.85451 2.13693 2.04825 1.71564 1.93116 1.74796 1.84412 1.74649 2.10477 1.71849 1.71286 1.79861 1.83235 1.90357 1.82033 1.81765 1.67937 1.62184 1.82733 2.04776 1.63735 2.14107 1.88246 1.85622 1.65053 2.25298 1.80372 2.14439 1.70901 1.81339 1.94205 2.03621 1.88614 1.85205 1.66278 2.04743 1.87901 1.73138 1.81375 2.89966 3.01476 2.95383 2.97496 3.00411 3.16721 3.10849 2.99118 3.07623 3.01561 2.96367 3.01489 2.95666 2.95921 3.00971 3.11989 3.23882 3.09646 3.15250 3.16926 3.30812 3.20797 3.09953 3.19951 2.91115 2.87258 3.17905 3.10780 3.27098 2.96812 3.17193 2.98030 2.95981 3.19003 3.08480 2.65433 -1.55506 0.36890 0.48259 2.55638 -1.80284 2.29951 0.18008 -1.61290 -1.78258 2.38117 0.58819 -1.92629 0.26604 0.17689 2.36923 -0.29321 -2.57668 1.61056 -2.10655 1.89316 -0.20279 2.92981 -1.47163 -1.07479 0.80695 0.70722 2.58895 3.13044 -1.47953 0.97691 2.65013 -0.93376 0.73946 -2.40176 2.07174 -0.05787 -1.86755 1.52199 -0.28770 -1.06059 0.86089 -3.02961 -1.10813 0.97005 -0.83400 -0.58506 1.10895 -1.10442 2.73498 0.62808 2.79247 0.70780 -1.02813 -2.77258 1.06738 -0.68042 -1.75981 2.79879 0.23837 -1.48622 2.18695 0.46237 -2.45619 1.96425 1.61970 -0.24304 -0.16012 -2.02286 0.99296 -0.82110 3.04863 2.97887 1.16481 -1.24865 1.43502 -2.70345 -0.36859 -0.53130 1.61341 -2.33491 0.17881 2.72592 -1.62885 1.89870 -1.83738 0.09103 -0.24014 2.22868 -2.13997 1.67601 -2.13834 -0.22381 -0.33209 -2.75819 1.37218 -1.95889 1.89819 -0.25462 -1.23066 2.62117 0.79712 -3.04942 0.80240 -1.02165 0.30550 2.08574 -1.66951 0.11072 2.69876 -1.80419 0.81373 -1.12186 0.00001 -0.00004 -0.00002 -0.00002 -0.00004 -0.00002 -0.00004 -0.00003 0.00000 0.00001 -0.00001 -0.00003 -0.00001 0.00001 -0.00002 -0.00003 -0.00003 -0.00002 -0.00000 -0.00004 -0.00003 -0.00005 -0.00003 0.00000 0.00002 -0.00001 0.00008 0.00001 0.00001 -0.00003 0.00002 -0.00004 0.00001 0.00002 -0.00003 0.00006 0.00001 -0.00000 -0.00002 -0.00003 0.00004 -0.00004 -0.00020 -0.00003 -0.00002 -0.00003 0.00002 0.00006 0.00001 0.00001 0.00002 -0.00006 0.00001 0.00000 0.00003 0.00001 0.00000 -0.00001 -0.00002 0.00001 0.00001 0.00004 0.00003 -0.00002 0.00000 -0.00002 -0.00002 0.00001 0.00001 -0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00002 -0.00001 -0.00002 0.00002 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00002 -0.00002 0.00000 0.00000 -0.00000 0.00001 0.00002 0.00002 0.00002 -0.00002 -0.00000 -0.00000 0.00001 -0.00002 0.00001 -0.00001 0.00002 -0.00001 -0.00001 -0.00005 -0.00002 0.00002 0.00003 0.00002 0.00000 -0.00001 -0.00001 -0.00003 -0.00001 -0.00000 -0.00000 0.00001 0.00004 -0.00003 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00002 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00002 -0.00002 0.00001 0.00000 0.00000 -0.00003 -0.00002 0.00001 0.00002 -0.00002 -0.00003 -0.00003 0.00003 0.00003 0.00002 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00003 0.00001 0.00001 -0.00000 -0.00001 -0.00002 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00001 -0.00002 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00003 -0.00002 -0.00001 -0.00002 -0.00001 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00002 0.00000 0.00001 0.00002 0.00001 -0.00001 0.00002 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00005 0.00001 -0.00000 -0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00005 -0.00005 -0.00000 -0.00000 0.00002 -0.00004 0.00008 0.00002 0.00000 0.00002 -0.00003 -0.00000 -0.00000 -0.00000 0.00007 0.00000 0.00004 -0.00000 -0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00012 -0.00000 -0.00000 0.00004 -0.00001 -0.00000 0.00003 -0.00002 -0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00003 0.00000 -0.00001 0.00003 0.00011 -0.00001 -0.00003 0.00002 0.00002 0.00014 0.00000 0.00003 -0.00001 0.00003 -0.00006 0.00002 -0.00007 0.00010 -0.00001 -0.00007 0.00001 -0.00000 -0.00004 0.00004 -0.00001 0.00001 0.00000 -0.00001 -0.00007 -0.00003 0.00000 0.00011 -0.00002 0.00002 -0.00003 -0.00002 0.00002 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00004 0.00001 -0.00003 -0.00003 0.00002 0.00001 -0.00000 0.00004 -0.00018 0.00016 0.00011 -0.00010 0.00000 -0.00007 -0.00001 0.00017 0.00001 -0.00003 -0.00009 -0.00002 0.00002 -0.00000 -0.00001 0.00006 0.00003 0.00006 0.00012 0.00007 -0.00014 -0.00019 -0.00005 0.00006 0.00005 -0.00003 0.00005 0.00002 -0.00004 -0.00011 -0.00011 -0.00013 -0.00001 0.00001 -0.00008 0.00008 -0.00008 0.00000 -0.00016 -0.00004 -0.00000 -0.00005 0.00009 0.00001 -0.00007 0.00001 0.00001 -0.00004 -0.00014 0.00010 0.00006 0.00008 -0.00002 -0.00007 -0.00004 -0.00014 -0.00007 -0.00007 -0.00006 0.00002 0.00002 -0.00015 -0.00019 -0.00005 -0.00008 -0.00026 -0.00020 -0.00010 -0.00023 -0.00017 -0.00007 -0.00001 -0.00000 0.00004 0.00005 0.00005 0.00006 -0.00001 0.00000 -0.00007 -0.00007 -0.00000 0.00000 0.00001 0.00001 0.00013 0.00012 0.00013 0.00012 -0.00020 -0.00020 -0.00023 -0.00022 -0.00019 -0.00021 -0.00001 0.00001 0.00013 0.00009 0.00005 0.00011 0.00005 0.00008 -0.00001 -0.00009 -0.00010 -0.00008 -0.00006 -0.00010 -0.00008 -0.00009 -0.00007 0.00012 0.00011 0.00016 0.00015 0.00004 0.00002 0.00014 0.00012 0.00010 0.00014 0.00013 0.00010 0.00006 0.00005 0.00007 0.00011 0.00010 0.00012 -0.00003 -0.00009 -0.00018 -0.00002 -0.00009 -0.00017 0.00016 0.00016 0.00014 0.00018 0.00018 0.00016 -0.00000 -0.00001 -0.00001 0.00004 0.00003 0.00002 0.00014 0.00020 0.00029 0.00013 0.00020 0.00028 -0.00003 -0.00002 0.00003 0.00004 0.00005 0.00006 -0.00005 -0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00005 0.00001 -0.00000 -0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00005 -0.00005 -0.00000 -0.00000 0.00002 -0.00004 0.00008 0.00002 0.00000 0.00002 -0.00003 -0.00000 -0.00000 -0.00000 0.00007 0.00000 0.00004 -0.00000 -0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00012 -0.00000 -0.00000 0.00004 -0.00001 -0.00000 0.00003 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00003 0.00000 -0.00001 0.00003 0.00011 -0.00001 -0.00003 0.00002 0.00002 0.00014 0.00000 0.00003 -0.00001 0.00003 -0.00006 0.00002 -0.00007 0.00010 -0.00001 -0.00007 0.00001 -0.00000 -0.00004 0.00004 -0.00001 0.00001 0.00000 -0.00001 -0.00007 -0.00003 0.00000 0.00011 -0.00002 0.00002 -0.00003 -0.00002 0.00002 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00004 0.00001 -0.00003 -0.00003 0.00002 0.00001 -0.00000 0.00004 -0.00018 0.00016 0.00011 -0.00010 -0.00000 -0.00007 -0.00001 0.00017 0.00001 -0.00003 -0.00009 -0.00002 0.00002 -0.00000 -0.00001 0.00006 0.00003 0.00006 0.00012 0.00007 -0.00014 -0.00019 -0.00005 0.00006 0.00005 -0.00003 0.00005 0.00002 -0.00004 -0.00011 -0.00011 -0.00013 -0.00001 0.00001 -0.00008 0.00008 -0.00008 0.00000 -0.00016 -0.00004 -0.00000 -0.00005 0.00009 0.00001 -0.00007 0.00001 0.00001 -0.00003 -0.00014 0.00010 0.00006 0.00008 -0.00002 -0.00007 -0.00004 -0.00014 -0.00007 -0.00007 -0.00006 0.00002 0.00002 -0.00015 -0.00019 -0.00005 -0.00008 -0.00026 -0.00020 -0.00010 -0.00023 -0.00017 -0.00007 -0.00002 -0.00000 0.00004 0.00005 0.00005 0.00006 -0.00001 0.00000 -0.00007 -0.00007 -0.00000 0.00000 0.00001 0.00001 0.00013 0.00012 0.00013 0.00012 -0.00020 -0.00020 -0.00023 -0.00022 -0.00019 -0.00021 -0.00001 0.00001 0.00013 0.00009 0.00005 0.00011 0.00005 0.00008 -0.00001 -0.00009 -0.00010 -0.00008 -0.00006 -0.00010 -0.00008 -0.00009 -0.00007 0.00012 0.00011 0.00016 0.00015 0.00004 0.00002 0.00014 0.00012 0.00010 0.00014 0.00013 0.00010 0.00007 0.00005 0.00007 0.00012 0.00010 0.00012 -0.00003 -0.00009 -0.00017 -0.00002 -0.00009 -0.00017 0.00016 0.00016 0.00014 0.00018 0.00018 0.00016 -0.00000 -0.00001 -0.00001 0.00004 0.00003 0.00003 0.00014 0.00020 0.00029 0.00013 0.00020 0.00028 -0.00003 -0.00002 0.00003 0.00004 0.00005 0.00006 -0.00005 -0.00003 3.34306 1.84885 1.85144 1.82314 1.86327 3.33121 1.85158 1.84776 3.32542 3.43646 1.82377 1.86496 3.41913 3.48939 3.52668 3.31058 1.86525 3.49979 3.35973 1.82379 1.82363 1.86941 3.49136 3.41864 3.29871 1.85973 1.85016 3.26391 3.43587 1.85057 1.84956 3.48236 1.82571 1.85483 3.42938 1.85103 1.85281 3.33500 3.44067 1.82372 1.87150 1.86511 1.82908 1.86755 1.82421 3.48376 1.85043 1.84828 2.02942 1.91568 1.85310 1.80671 1.63905 1.78063 2.87556 1.85575 2.08149 2.05735 1.86756 1.86082 1.72416 2.87754 2.21047 1.86006 2.24093 1.74459 1.57621 1.73243 1.69304 1.83850 1.92633 1.85451 2.13692 2.04819 1.71561 1.93116 1.74806 1.84410 1.74651 2.10474 1.71848 1.71287 1.79862 1.83236 1.90356 1.82033 1.81766 1.67939 1.62180 1.82734 2.04773 1.63733 2.14109 1.88248 1.85622 1.65057 2.25281 1.80388 2.14450 1.70890 1.81339 1.94198 2.03620 1.88631 1.85206 1.66275 2.04734 1.87899 1.73140 1.81375 2.89965 3.01481 2.95386 2.97502 3.00424 3.16728 3.10836 2.99099 3.07618 3.01567 2.96372 3.01486 2.95672 2.95923 3.00968 3.11978 3.23871 3.09633 3.15249 3.16927 3.30804 3.20805 3.09946 3.19951 2.91099 2.87254 3.17905 3.10774 3.27107 2.96813 3.17186 2.98032 2.95982 3.18999 3.08466 2.65443 -1.55500 0.36899 0.48256 2.55632 -1.80288 2.29937 0.18001 -1.61297 -1.78264 2.38119 0.58821 -1.92645 0.26586 0.17684 2.36914 -0.29346 -2.57687 1.61046 -2.10678 1.89299 -0.20286 2.92980 -1.47164 -1.07475 0.80700 0.70727 2.58901 3.13043 -1.47953 0.97684 2.65006 -0.93376 0.73946 -2.40175 2.07174 -0.05774 -1.86743 1.52212 -0.28757 -1.06079 0.86069 -3.02984 -1.10836 0.96986 -0.83422 -0.58507 1.10896 -1.10429 2.73506 0.62814 2.79258 0.70785 -1.02804 -2.77259 1.06728 -0.68052 -1.75988 2.79873 0.23827 -1.48630 2.18687 0.46230 -2.45607 1.96436 1.61986 -0.24289 -0.16008 -2.02284 0.99310 -0.82097 3.04873 2.97901 1.16494 -1.24855 1.43509 -2.70341 -0.36852 -0.53119 1.61351 -2.33480 0.17879 2.72583 -1.62903 1.89867 -1.83747 0.09086 -0.23999 2.22885 -2.13983 1.67619 -2.13816 -0.22365 -0.33209 -2.75820 1.37217 -1.95885 1.89822 -0.25459 -1.23052 2.62137 0.79740 -3.04929 0.80260 -1.02136 0.30547 2.08572 -1.66948 0.11077 2.69881 -1.80413 0.81368 -1.12189 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000196 0.000022 0.000838 0.000143 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.656952e-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 1 1 1 2 3 3 4 4 4 5 6 6 6 6 8 9 10 10 11 12 14 14 14 14 16 17 17 17 19 20 20 21 23 23 25 26 26 26 27 29 29 32 32 35 35 35 38 38 18 40 42 10 12 23 5 8 36 32 7 9 28 40 10 12 11 41 20 13 15 16 22 42 38 18 19 31 35 21 22 32 24 25 29 27 28 33 29 30 31 33 34 36 37 39 39 41 1.769 0.9784 0.9797 0.9648 0.986 1.7628 0.9798 0.9778 1.7598 1.8185 0.9651 0.9869 1.8093 1.8465 1.8662 1.7519 0.987 1.852 1.7779 0.9651 0.965 0.9892 1.8475 1.8091 1.7456 0.9841 0.9791 1.7272 1.8182 0.9793 0.9787 1.8427 0.9661 0.9815 1.8147 0.9795 0.9805 1.7648 1.8207 0.9651 0.9904 0.987 0.9679 0.9883 0.9653 1.8435 0.9792 0.9781 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001 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 18 18 40 5 5 8 4 7 7 7 9 9 28 4 2 2 2 8 8 11 3 3 9 15 15 15 16 16 22 18 18 19 11 11 21 3 3 24 27 27 28 25 25 25 27 27 30 5 5 5 21 21 33 19 19 19 36 36 37 16 16 39 10 1 1 1 4 4 4 5 6 6 6 6 6 6 8 10 10 10 10 10 10 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 23 23 23 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 38 38 38 41 40 42 42 8 36 36 32 9 28 40 28 40 40 10 8 11 41 11 41 41 9 13 13 16 22 42 22 42 42 19 31 31 21 22 22 24 25 25 28 33 33 27 30 31 30 31 31 21 33 34 33 34 34 36 37 39 37 39 39 39 41 41 38 116.2752 109.7538 106.1752 103.5186 93.91 102.0214 164.7498 106.3264 119.2589 117.8783 107.0016 106.6206 98.7861 164.8751 126.6449 106.5743 128.4 99.9569 90.3101 99.2629 97.0016 105.3389 110.37 106.2554 122.437 117.3563 98.2991 110.6472 100.1506 105.6602 100.0664 120.5943 98.4625 98.1395 103.053 104.9861 109.0662 104.2975 104.1437 96.2207 92.9246 104.6981 117.3281 93.8134 122.6742 107.8572 106.3536 94.5684 129.0865 103.3458 122.8648 97.9188 103.8998 111.2712 116.6661 108.0679 106.1147 95.2704 117.3088 107.6593 99.2008 103.9205 166.1384 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 12 6 10 14 1 17 20 14 23 26 6 17 26 4 35 1 1 12 6 10 14 1 17 20 14 23 26 6 17 26 4 35 1 3 9 11 16 18 19 21 22 25 27 28 31 33 36 39 40 42 3 9 11 16 18 19 21 22 25 27 28 31 33 36 39 40 23 12 20 38 17 35 32 20 29 29 26 29 32 35 38 6 14 23 12 20 38 17 35 32 20 29 29 26 29 32 35 38 6 1 25 5 5 2 14 1 3 1 1 2 6 1 3 1 2 4 1 25 5 5 2 14 1 3 1 1 2 6 1 3 1 2 -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 -2 172.7329 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 169.2421 170.4528 172.1229 181.4679 178.1036 171.3821 176.2549 172.7815 169.8057 172.7403 169.4044 169.5504 172.4439 178.7564 185.5708 177.4138 180.625 181.585 189.5411 183.8031 177.5902 183.3185 166.7968 164.5868 182.1464 178.0637 187.4132 170.0605 181.738 170.7589 169.5844 182.7752 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 18 18 18 42 42 42 18 18 18 40 40 40 40 40 42 42 5 5 5 8 8 8 7 7 28 28 40 40 7 7 9 9 40 40 2 2 8 8 41 41 9 9 13 13 8 36 5 36 4 4 4 4 4 4 2 8 11 15 15 16 16 42 42 15 15 22 22 42 42 18 18 18 19 19 19 18 18 18 31 31 31 11 11 11 22 22 22 3 3 3 24 24 24 28 28 28 33 33 33 27 27 27 28 28 28 19 19 36 36 37 37 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 12 12 12 12 4 4 4 4 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 26 26 26 35 35 35 35 35 35 38 6 6 6 6 6 6 14 14 14 14 14 14 17 17 17 17 35 35 35 35 35 35 12 12 12 12 12 12 26 26 26 26 26 26 20 20 20 20 20 20 23 23 23 23 5 5 8 8 32 32 32 10 10 10 41 41 41 20 20 20 20 20 20 38 38 38 38 38 38 29 29 29 29 29 29 35 35 35 35 35 35 32 32 32 32 32 32 29 29 29 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 38 38 41 7 9 28 7 9 28 15 16 22 15 16 22 19 31 19 31 19 37 39 19 37 39 3 13 3 13 3 13 27 33 27 33 27 33 21 22 21 22 21 22 24 25 24 25 32 32 10 10 21 33 34 2 11 41 38 38 38 11 21 11 21 11 21 39 41 39 41 39 41 25 27 30 25 27 30 36 37 39 36 37 39 5 33 34 5 33 34 27 30 31 27 30 31 25 30 31 25 30 31 5 21 34 5 21 34 16 41 16 41 16 41 10 152.0821 -89.0981 21.1366 27.6502 146.4699 -103.2953 131.7525 10.3179 -92.4123 -102.1346 136.4308 33.7007 -110.3685 15.2432 10.135 135.7467 -16.7995 -147.6329 92.2781 -120.6964 108.4702 -11.6188 167.866 -84.3185 -61.5807 46.2348 40.5205 148.336 179.361 -84.7708 55.9728 151.841 -53.5004 42.3678 -137.6109 118.7018 -3.3155 -107.0028 87.2035 -16.4838 -60.7674 49.3252 -173.584 -63.4914 55.5796 -47.7848 -33.5216 63.538 -63.2784 156.7026 35.9866 159.9968 40.5539 -58.9073 -158.8574 61.1562 -38.9852 -100.8296 160.3588 13.6576 -85.154 125.3033 26.4917 -140.7294 112.5433 92.802 -13.9253 -9.1742 -115.9015 56.8926 -47.0453 174.6735 170.6767 66.7388 -71.5424 82.2206 -154.8965 -21.1188 -30.4413 92.4416 -133.7808 10.2453 156.1838 -93.3262 108.7874 -105.274 5.2159 -13.7593 127.6941 -122.611 96.0285 -122.5181 -12.8233 -19.0271 -158.0327 78.6203 -112.2359 108.7585 -14.5886 -70.5116 150.1817 45.6715 -174.7191 45.9742 -58.536 17.5039 119.5039 -95.6559 6.3441 154.6278 -103.3723 46.6233 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0446998631 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9361,1.7731,.4534;2.7521,-4.2524,-1.6868;-1.5054,3.5196,2.7833;-.5292,-3.0271,-2.1244;-.7248,-2.6726,-1.2379;-.1886,.8979,2.8767;.4383,.5613,3.5247;.3975,-3.3216,-2.0496;-.5235,1.7545,3.2418;2.2242,-3.4481,-1.6847;2.2065,-3.1357,-.748;-1.1941,3.2423,3.6767;-1.9991,3.0185,4.155;2.9598,.0603,-.2826;3.8679,.3538,-.1596;2.8921,-.2267,-1.2289;-.9737,1.4751,-1.4577;-.2504,1.5682,-.7954;-.7175,.7212,-2.021;2.0603,-2.3577,.7896;1.1049,-2.162,.7679;2.4707,-1.5099,.531;-1.9751,3.8467,1.1529;-1.1357,3.8444,.6829;-2.4115,3.0206,.8616;-2.3808,-.5936,2.0685;-2.7412,.064,1.443;-1.6528,-.1072,2.5036;-3.0057,1.4337,.2482;-3.8393,1.5033,-.2285;-2.3031,1.3525,-.4482;-.6208,-1.6306,.3091;-1.3092,-1.3643,.9665;-.3633,-.7965,-.0993;-.0502,-.5679,-3.1443;-.2801,-1.4796,-2.8403;-.356,-.5123,-4.0553;2.6893,-.8871,-2.7757;1.7537,-.6918,-2.9841;.5816,1.41,1.2867;2.6693,-1.8269,-2.5185;1.6778,1.1857,.2057; 0.000000 6.647107 0.000000 3.799981 9.925270 0.000000 5.642153 3.529843 8.239979 0.000000 5.038120 3.845226 7.424403 0.974606 0.000000 2.811288 7.483168 2.935310 6.366492 5.474036 0.000000 3.339070 7.462209 3.616505 6.762008 5.873026 0.962380 0.000000 5.701762 2.557711 8.589449 0.975296 1.529560 6.512669 6.793398 0.000000 3.147418 8.432277 2.071197 7.187509 6.301375 0.989609 1.558463 7.390094 0.000000 5.787126 0.962060 9.078573 2.819884 3.081746 6.746436 6.811876 1.867005 7.673771 0.000000 5.210910 1.557519 8.398897 3.064418 3.007817 5.928301 5.920344 2.236298 6.876489 0.987515 0.000000 4.133528 10.025444 0.985844 8.567393 7.704484 2.673485 3.142577 8.854802 1.688907 9.229834 8.474754 0.000000 4.885582 10.467406 1.541552 8.839747 7.943281 3.067470 3.517997 9.188971 2.146898 9.682708 8.921986 0.962816 0.000000 2.751499 4.540242 6.426878 5.009760 4.685855 4.538172 4.593983 4.596124 5.236922 3.849109 3.316392 6.561717 7.282496 0.000000 3.314459 4.979387 6.896066 5.884389 5.604870 5.096131 5.037857 5.396662 5.728561 4.413872 3.909395 6.977444 7.754951 0.962263 0.000000 3.264205 4.054032 7.033519 4.511067 4.366246 5.254614 5.407291 4.058886 5.964791 3.321328 3.027148 7.266058 7.965050 0.991173 1.559662 0.000000 2.718175 6.836497 4.737979 4.572919 4.160909 4.442542 5.258592 5.023779 4.729281 5.874994 5.645981 5.434443 5.910652 4.342288 5.136533 4.230036 0.000000 1.734735 6.609719 4.264966 4.791718 4.290073 3.733262 4.489029 5.089434 4.050733 5.663685 5.307125 4.867502 5.446827 3.583647 4.340486 3.644872 0.985120 0.000000 3.156493 6.073340 5.615454 3.754417 3.482937 4.929336 5.667120 4.193773 5.366840 5.113611 5.004588 6.248761 6.712956 4.120850 4.962417 3.815096 0.975396 1.561311 0.000000 4.294206 3.193891 7.157613 3.955409 3.459255 4.473489 4.316490 3.428508 5.440553 2.708829 1.729439 7.091299 7.530518 2.793806 3.394256 3.050796 5.380132 4.823306 5.009499 0.000000 3.951262 3.620552 6.569325 3.432852 2.762558 3.934834 3.931982 3.127807 4.910307 2.986939 2.111797 6.553873 6.924269 3.079421 3.850203 3.305561 4.743692 4.265608 4.405927 0.975447 0.000000 3.624781 3.538170 6.795462 4.283973 3.832961 4.286222 4.169309 3.773479 5.193313 2.954018 2.085372 6.775697 7.322568 1.834820 2.429540 2.218381 4.972825 4.317229 4.653466 0.976772 1.531914 0.000000 3.642041 9.798228 1.727984 7.751169 7.055517 3.854727 4.716372 8.201788 3.293678 8.882548 8.357868 2.710131 3.114378 6.383668 6.932824 6.779033 3.666391 3.458611 4.628643 7.410223 6.763126 6.988963 0.000000 2.938595 9.289116 2.157298 7.447567 6.806553 3.793640 4.618669 7.821000 3.360142 8.371031 7.870189 3.054267 3.671951 5.659050 6.158736 6.037532 3.197188 2.854852 4.152184 6.977946 6.411292 6.457379 0.962038 0.000000 3.595783 9.276478 2.182382 7.002415 6.298016 3.675285 4.611008 7.522535 3.291342 8.355643 7.862402 3.075015 3.319086 6.238918 6.898279 6.560769 3.136082 3.086349 4.057934 6.994878 6.263670 6.668652 0.978694 1.529212 0.000000 4.383128 7.337304 4.265566 5.189527 4.242301 2.771883 3.376570 5.667433 3.215553 6.590935 5.953080 4.325340 4.188821 5.871774 6.701431 6.229870 4.323567 4.172984 4.606491 4.946851 4.037576 5.171183 4.551855 4.813111 3.810456 0.000000 4.174113 7.655271 3.906993 5.212881 4.329203 3.044149 3.832757 5.788930 3.318451 6.839006 6.286418 4.181486 4.078599 5.956488 6.806877 6.241634 3.678168 3.671105 4.065325 5.417226 4.494873 5.520273 3.870432 4.176970 3.031169 0.976536 0.000000 3.800201 7.358308 3.640548 5.586249 4.630403 1.814799 2.421228 5.938584 2.299258 6.613136 5.885508 3.578578 3.552113 5.391418 6.146885 5.882346 4.319274 3.956871 4.693928 4.667947 3.852259 4.781465 4.190707 4.381516 3.613118 0.977602 1.529290 0.000000 3.961743 8.320363 3.609474 5.626845 4.926765 3.890033 4.832986 6.282895 3.902086 7.410796 7.002861 4.278721 4.334501 6.144594 6.969925 6.302649 2.653424 2.949378 3.300497 6.350817 5.486090 6.223863 2.775463 3.081789 1.802059 2.795380 1.836753 3.048199 0.000000 4.831386 8.871344 4.310820 5.922466 5.306331 4.830776 5.768145 6.674306 4.806343 7.962550 7.638228 5.027095 4.989709 6.950782 7.792785 7.021790 3.118175 3.633938 3.683843 7.123853 6.234819 7.033669 3.297738 3.690662 2.351382 3.435188 2.463988 3.852086 0.962765 0.000000 3.388550 7.648799 3.971730 5.013744 4.395030 3.966418 4.891303 5.630730 4.116392 6.713501 6.369555 4.670702 4.904796 5.421804 6.258003 5.485794 1.673729 2.092990 2.320953 5.859807 5.044379 5.651698 2.981937 2.975178 2.123601 3.182309 2.329950 3.356537 0.992556 1.559108 0.000000 3.745620 4.715243 5.781726 2.807213 1.868046 3.629389 4.033117 3.075627 4.479888 3.920706 3.372916 5.951023 6.189121 4.003728 4.930129 4.083698 3.590401 3.404272 3.312009 2.819195 1.863085 3.101797 5.705010 5.511835 5.014511 2.696075 2.941715 2.863830 3.883522 4.524279 3.507504 0.000000 3.892042 5.645776 5.214550 3.595418 2.629157 3.165737 3.647688 3.979998 3.939725 4.884183 4.293908 5.345970 5.463676 4.670563 5.569809 4.874918 3.748525 3.581192 3.691196 3.517309 2.550226 3.807683 5.256745 5.219337 4.522561 1.719561 2.077965 2.015154 3.350152 4.006624 3.220342 0.988448 0.000000 2.931947 4.916191 5.314293 3.017367 2.224168 3.428917 3.952080 3.280028 4.206662 4.029805 3.535086 5.591041 5.943816 3.436643 4.385182 3.492577 2.716206 2.467557 2.474229 3.016826 2.184579 2.989579 5.071989 4.769276 4.437168 2.968340 2.962042 2.985420 3.475222 4.169950 2.915978 0.963751 1.534000 0.000000 4.404089 4.853054 7.345829 2.705063 2.918758 6.198349 6.781506 2.996930 6.811751 3.949509 4.174752 7.896305 8.363038 4.200469 5.010906 3.527339 2.805587 3.181219 1.835397 4.809678 4.379605 4.555168 6.454435 5.940869 5.873713 5.710173 5.355761 5.888876 4.924512 5.210485 4.004112 3.657944 4.372442 3.069595 0.000000 4.786165 4.267628 7.623500 1.723124 2.046571 6.192275 6.722650 2.115922 6.892803 3.388451 3.647399 8.099546 8.492479 4.405702 5.268169 3.772179 3.335106 3.670356 2.388719 4.407323 3.924674 4.351207 6.869370 6.441273 6.204746 5.412429 5.175535 5.685445 5.045330 5.327951 4.223256 3.171298 3.945121 2.826078 0.988222 0.000000 5.217383 5.409083 8.021466 3.175304 3.569406 7.075968 7.696769 3.533107 7.642971 4.571242 4.938353 8.636169 9.087142 5.055334 5.811073 4.315184 3.328525 3.868692 2.406353 5.719924 5.302810 5.479018 6.981976 6.483796 6.393976 6.450429 6.021026 6.698115 5.415566 5.553417 4.503385 4.513153 5.182036 3.966261 0.962626 1.554941 0.000000 4.536169 3.537566 8.241128 3.919479 4.148273 6.589164 6.845387 3.421369 7.315058 2.822272 3.066042 8.588668 9.234132 2.680707 3.126150 1.694053 4.553528 4.311812 3.842113 3.907601 4.085651 3.371843 7.720030 6.998497 7.383634 7.018409 6.942038 6.879842 6.852958 7.404336 5.946188 4.585269 5.497201 4.060689 2.782485 3.028595 3.324431 0.000000 4.308172 3.918874 7.849874 3.377109 3.621597 6.375621 6.757613 3.102997 7.066290 3.083391 3.343380 8.278458 8.877919 3.052627 3.679787 2.143138 3.803205 3.730223 3.005126 4.136474 4.081737 3.679565 7.184484 6.509415 6.776487 6.529439 6.354155 6.485456 6.133370 6.610131 5.202727 4.167119 5.043957 3.579816 1.815229 2.185857 2.372935 0.978172 0.000000 0.975631 6.753899 3.323501 5.705894 4.974668 1.839467 2.397874 5.792410 2.272123 5.926886 5.238711 3.496068 4.180287 3.152841 3.742656 3.787526 3.155080 2.247700 3.619762 4.077922 3.647257 3.558925 3.534401 3.039677 3.425372 3.660803 3.588496 2.962355 3.734662 4.674236 3.366647 3.412713 3.372600 2.771647 4.893298 5.111164 5.754234 5.120698 4.902140 0.000000 4.979539 2.565390 8.609415 3.438970 3.724903 6.685778 6.870284 2.759513 7.496771 1.876597 2.249807 8.888354 9.476707 2.940240 3.428751 2.067199 5.029950 4.797986 4.267388 3.405281 3.655134 3.072268 8.199979 7.542584 7.793484 6.932939 6.967271 6.845376 7.105818 7.661370 6.254625 4.342617 5.309206 4.013847 3.061451 2.987201 3.639095 0.974566 1.530932 5.414366 0.000000 0.977983 5.857348 4.714211 5.296087 4.768956 3.271149 3.597519 5.200108 3.793054 5.034312 4.456913 4.952270 5.698780 1.774433 2.371100 2.351070 3.143473 2.206057 3.303270 3.611531 3.442642 2.828595 4.617559 3.900254 4.529873 4.807144 4.724119 4.247968 4.690317 5.543293 4.037740 3.636750 4.000483 2.861495 4.157359 4.496185 5.017617 3.769391 3.702139 1.555796 4.180941 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.978,-.8061,-1.6036;-5.1293,-1.1369,.9993;4.6446,-.5732,-.633;-2.9782,1.5904,1.6274;-2.1436,1.135,1.8417;2.3156,-1.8102,.656;2.1573,-2.7394,.8502;-3.5791,.8593,1.3912;3.2555,-1.7523,.3519;-4.3375,-.6922,.6818;-3.5883,-1.3118,.8553;4.8176,-1.4486,-.2139;5.329,-1.2424,.5753;-1.5581,-1.8681,-1.7074;-1.731,-2.5646,-2.3484;-2.2547,-1.1794,-1.859;.6147,1.8556,-1.1891;.7042,.8891,-1.3574;-.3316,2.0025,-1.0034;-2.1252,-2.2216,1.0054;-1.5461,-1.5173,1.352;-1.9056,-2.2471,.0539;4.1622,.9385,-1.3172;3.4883,.681,-1.9536;3.6569,1.3726,-.6002;1.9206,.1585,2.5669;2.1769,.9151,2.0052;2.1406,-.6138,2.0093;2.5377,2.0733,.6261;2.7153,3.0015,.8102;1.7486,2.0643,.0242;-.6201,.0679,1.6693;.2633,.1119,2.1105;-.4209,.2541,.7449;-2.151,2.2059,-.8735;-2.4746,2.0667,.0498;-2.4844,3.0691,-1.1389;-3.4762,-.0071,-1.917;-3.0131,.8151,-1.6594;1.3811,-1.1798,-.7975;-3.9464,-.2632,-1.1027;.088,-1.2071,-1.6622; 0.4785924 0.2058108 0.1993420 -19.12751 -19.12616 -19.12551 -19.12547 -19.12537 -19.12517 -19.12394 -19.12375 -19.11757 -19.11631 -19.11538 -19.11352 -19.11077 -19.11029 -1.03066 -1.02779 -1.02133 -1.02038 -1.01905 -1.01721 -1.01191 -1.00676 -1.00355 -1.00227 -1.00072 -0.99615 -0.99078 -0.98830 -0.54185 -0.54081 -0.53963 -0.53799 -0.53620 -0.53341 -0.53203 -0.52962 -0.52599 -0.52455 -0.52413 -0.52159 -0.52061 -0.51941 -0.44205 -0.43696 -0.43483 -0.42345 -0.42109 -0.40873 -0.40782 -0.39917 -0.39672 -0.39547 -0.38356 -0.38198 -0.37575 -0.36486 -0.32948 -0.32832 -0.32696 -0.32652 -0.32598 -0.32544 -0.32317 -0.32115 -0.31938 -0.31917 -0.31722 -0.31604 -0.31350 -0.31134 -0.00223 0.02185 0.03947 0.04785 0.05262 0.05890 0.07053 0.07936 0.09045 0.09269 0.09681 0.10762 0.10867 0.11129 0.11827 0.12538 0.13016 0.13259 0.14145 0.14373 0.15104 0.15283 0.15537 0.16282 0.16376 0.17183 0.17518 0.17916 0.18255 0.18715 0.19084 0.19627 0.20043 0.20280 0.20502 0.21225 0.21642 0.22040 0.22502 0.22922 0.23492 0.24221 0.24439 0.24651 0.24859 0.25034 0.25483 0.26048 0.26403 0.26635 0.26944 0.27187 0.27744 0.28195 0.28517 0.28656 0.28749 0.29194 0.29857 0.29957 0.30347 0.30698 0.31016 0.31266 0.31400 0.32242 0.32717 0.33764 0.36267 0.37016 0.37552 0.40395 0.41563 0.43361 0.44935 0.46356 0.46844 0.47459 0.48110 0.48610 0.48940 0.49987 0.50555 0.52172 0.52813 0.53436 0.54262 0.54499 0.55177 0.55509 0.55745 0.56809 0.57231 0.57519 0.58182 0.58695 0.60307 0.60910 0.61358 0.62025 0.63820 0.63870 0.65274 0.65927 0.66792 0.67317 0.69009 0.69159 0.69904 0.71140 0.71687 0.73024 0.93682 0.94341 0.95616 0.95909 0.96296 0.97332 0.97548 0.98354 0.99395 0.99519 1.00169 1.01189 1.01373 1.01917 1.02715 1.03035 1.04089 1.04858 1.05271 1.06239 1.06681 1.07227 1.08107 1.08185 1.08631 1.09155 1.10836 1.11186 1.11956 1.12211 1.12847 1.13343 1.13650 1.14112 1.14985 1.15502 1.16121 1.16658 1.18309 1.19315 1.20138 1.20569 1.21843 1.23601 1.24393 1.25963 1.26369 1.27995 1.29002 1.29307 1.29597 1.30558 1.30748 1.31073 1.32706 1.33115 1.34251 1.34943 1.35590 1.36523 1.37676 1.38278 1.39226 1.39688 1.40816 1.40868 1.42256 1.42642 1.43025 1.44184 1.46293 1.46544 1.48020 1.49018 1.49452 1.49879 1.50782 1.51934 1.52672 1.53724 1.54599 1.55482 1.57065 1.57332 1.58178 1.59066 1.59937 1.60882 1.62471 1.63158 1.64804 1.65548 1.66231 1.66938 1.68989 1.69976 1.71198 1.71900 1.73329 1.74460 1.74981 1.75432 1.76441 1.78078 1.79697 1.80861 1.81732 1.82775 1.82946 1.85548 1.85964 1.88433 2.01635 2.03585 2.04084 2.04745 2.05593 2.06587 2.07325 2.18171 2.21287 2.23506 2.27923 2.28343 2.29432 2.30048 2.31239 2.31670 2.32737 2.33847 2.34490 2.35906 2.36979 2.41033 2.42536 2.45168 2.45995 2.48187 2.48997 2.50812 2.53925 2.58860 2.60377 2.60616 2.61294 2.64452 2.66422 2.68280 2.68520 2.70097 2.70844 2.72353 2.72694 2.72905 2.74077 2.76179 2.76204 2.77381 2.78145 2.80173 2.81223 2.81654 2.83233 2.84200 2.85852 2.87147 2.87770 2.89128 3.06285 3.06845 3.07687 3.08576 3.08947 3.09145 3.10316 3.10943 3.11171 3.11366 3.11849 3.12523 3.12755 3.13355 3.13764 3.14477 3.15094 3.15343 3.16058 3.16462 3.17021 3.17223 3.17653 3.17957 3.18402 3.20159 3.21800 3.22186 3.29197 3.30674 3.30712 3.32081 3.32765 3.33265 3.33912 3.34592 3.35411 3.35691 3.36384 3.38119 3.39715 3.41063 3.67824 3.68165 3.69371 3.71333 3.71782 3.72014 3.72760 3.74126 3.74715 3.75849 3.76145 3.76762 3.77427 3.78926 3.89399 3.91271 3.92493 3.93160 3.93232 3.93852 3.94926 3.95277 3.95920 3.96588 3.97428 3.98160 3.98458 4.01379 5.00398 5.01364 5.02172 5.02870 5.03405 5.04537 5.04926 5.05990 5.06823 5.07254 5.07688 5.08745 5.08957 5.11439 5.39335 5.40056 5.41032 5.42359 5.43576 5.44302 5.44822 5.46267 5.47574 5.48442 5.49883 5.51430 5.53255 5.54193 5.66614 5.67209 5.67480 5.68602 5.68608 5.69033 5.69695 5.70202 5.71282 5.72071 5.72127 5.74921 5.76784 5.79372 49.88209 49.90340 49.91091 49.91620 49.91983 49.92311 49.92768 49.94087 49.94167 49.94370 49.95781 49.97023 49.97210 49.98508 1-A. -1.9407 -0.7769 -0.3017 2.1121 -96.2120 -81.6783 -118.5672 5.2602 12.6578 1.4323 2.6071 17.1409 -19.7480 5.2602 12.6578 1.4323 -93.6588 29.7973 -39.4026 -0.9565 -26.4481 84.1332 -2.7958 -25.9539 -16.9024 5.3597 -4369.7084 -1123.6704 -1393.1755 213.1646 189.3294 -9.2266 47.0238 -68.4677 19.7432 -935.2682 -1129.1787 -413.0394 -97.2004 212.8774 36.1147 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8646,1.6166,.4921;2.7232,-4.3341,-1.7886;-1.5629,3.5367,2.8307;-.5198,-2.9612,-2.1027;-.6481,-2.54,-1.2274;-.159,.9505,3.0353;.432,.5857,3.7055;.4006,-3.2893,-2.0657;-.4981,1.803,3.3989;2.2209,-3.5132,-1.7206;2.2491,-3.2437,-.7714;-1.2217,3.3618,3.7391;-2.0066,3.2547,4.2903;3.0322,.0163,-.2213;3.9188,.3866,-.1307;2.9402,-.2531,-1.1687;-.9989,1.4762,-1.5287;-.3103,1.5232,-.8272;-.7181,.7534,-2.1265;2.0956,-2.4223,.7978;1.1459,-2.1889,.7461;2.5423,-1.5845,.56;-1.9933,3.7371,1.133;-1.1516,3.7275,.659;-2.4559,2.9292,.822;-2.3105,-.5147,2.061;-2.6959,.1256,1.4278;-1.5989,-.0102,2.5087;-3.1003,1.3675,.1593;-3.9544,1.3954,-.289;-2.4137,1.3097,-.5521;-.4965,-1.5078,.2621;-1.1887,-1.2599,.9206;-.1911,-.6576,-.0854;-.1008,-.5219,-3.266;-.3289,-1.4288,-2.9465;-.4104,-.4736,-4.179;2.6332,-.9292,-2.7485;1.7143,-.699,-2.9966;.5501,1.33,1.3732;2.5815,-1.8754,-2.5063;1.6412,1.0567,.2842; 0.000000 6.638232 0.000000 3.879207 10.082521 0.000000 5.441091 3.535541 8.224902 0.000000 4.745711 3.859981 7.364154 0.979805 0.000000 2.821201 7.713882 2.949807 6.467673 5.531144 0.000000 3.402260 7.722641 3.667854 6.871786 5.938864 0.965095 0.000000 5.552055 2.561768 8.626937 0.977795 1.537534 6.656529 6.951492 0.000000 3.215750 8.657411 2.112435 7.277743 6.347170 0.986894 1.562323 7.523358 0.000000 5.748900 0.964767 9.204978 2.821676 3.069459 6.943112 7.031596 1.866195 7.865355 0.000000 5.209185 1.564713 8.572057 3.085192 3.016099 6.154797 6.165161 2.256978 7.099862 0.987048 0.000000 4.235666 10.263689 0.986002 8.637062 7.734687 2.727432 3.231448 8.975735 1.751874 9.429953 8.719130 0.000000 5.035219 10.812664 1.551477 9.039843 8.115972 3.209053 3.662253 9.434904 2.275418 9.990330 9.271535 0.965108 0.000000 2.787187 4.634451 6.543892 5.002230 4.592618 4.654264 4.743957 4.610295 5.362974 3.919661 3.397653 6.706139 7.498768 0.000000 3.350948 5.144225 6.981501 5.898942 5.533930 5.193254 5.187840 5.443752 5.828667 4.540820 4.046956 7.088804 7.929783 0.965022 0.000000 3.249895 4.133524 7.115791 4.491947 4.255490 5.359759 5.545454 4.058687 6.075532 3.383838 3.095070 7.380655 8.159386 0.989249 1.563435 0.000000 2.752417 6.905079 4.854656 4.499944 4.042670 4.670321 5.498789 4.995686 4.963723 5.941158 5.779256 5.599476 6.167614 4.482209 5.227316 4.316919 0.000000 1.769044 6.665896 4.359226 4.667033 4.096829 3.907669 4.687737 5.019961 4.239490 5.707051 5.410829 5.006137 5.662539 3.716198 4.434165 3.719823 0.984126 0.000000 3.179191 6.151389 5.747497 3.720035 3.414654 5.195781 5.946693 4.195150 5.628515 5.196804 5.159241 6.439092 7.006589 4.270657 5.061513 3.913259 0.979063 1.564364 0.000000 4.233304 3.276986 7.281902 3.942521 3.412240 4.633026 4.502220 3.438664 5.598721 2.747395 1.777906 7.287677 7.826440 2.804069 3.475064 3.047292 5.494185 4.898541 5.153050 0.000000 3.824283 3.676160 6.668267 3.389152 2.690070 4.098694 4.119031 3.110034 5.067115 2.998932 2.152294 6.735995 7.220308 3.058946 3.884690 3.260843 4.817404 4.286673 4.514850 0.979278 0.000000 3.614760 3.620593 6.945207 4.285054 3.779790 4.455419 4.365508 3.793099 5.364621 3.004009 2.147472 6.981430 7.617497 1.847506 2.501425 2.217995 5.125500 4.440710 4.828489 0.978746 1.532929 0.000000 3.615977 9.794169 1.762789 7.583469 6.839822 3.840441 4.736151 8.082920 3.333278 8.858315 8.387913 2.743673 3.193982 6.398039 6.912034 6.749735 3.631185 3.402417 4.599249 7.400657 6.717331 7.015762 0.000000 2.923808 9.273245 2.218466 7.263943 6.564526 3.787313 4.653944 7.685617 3.411391 8.334450 7.887202 3.102467 3.760462 5.661414 6.123183 5.993941 3.142880 2.788410 4.097798 6.955754 6.347408 6.470876 0.966122 0.000000 3.585757 9.294831 2.280623 6.855640 6.113944 3.753680 4.706002 7.427565 3.426619 8.357146 7.923452 3.196809 3.512420 6.300262 6.928884 6.573242 3.124110 3.049669 4.055578 7.025323 6.258935 6.739834 0.981536 1.537912 0.000000 4.133362 7.398970 4.191111 5.150561 4.204611 2.779401 3.381774 5.663723 3.232077 6.619998 6.021587 4.362169 4.389840 5.834004 6.664810 6.169976 4.309273 4.061502 4.656092 4.964637 4.059386 5.191083 4.363479 4.615735 3.662930 0.000000 3.971797 7.720074 3.858450 5.169888 4.283494 3.114555 3.896552 5.783912 3.395447 6.879461 6.375014 4.241249 4.296592 5.961754 6.800773 6.216888 3.666678 3.567828 4.115657 5.463160 4.536601 5.578192 3.691037 3.993704 2.878370 0.979529 0.000000 3.575132 7.472827 3.561680 5.580126 4.611096 1.809316 2.431447 5.972890 2.300392 6.689421 6.001805 3.609195 3.741651 5.375967 6.129330 5.846810 4.343928 3.891025 4.779550 4.732256 3.922706 4.840019 4.011298 4.194247 3.495658 0.980463 1.546007 0.000000 3.986564 8.379438 3.768963 5.523902 4.817098 4.134806 5.065914 6.236400 4.178007 7.461220 7.123553 4.507850 4.671507 6.291111 7.093182 6.393469 2.697562 2.963350 3.358050 6.462737 5.569789 6.380768 2.790765 3.101055 1.814727 2.789838 1.820737 3.109975 0.000000 4.886925 8.925569 4.476292 5.836624 5.224856 5.065027 5.987661 6.638458 5.070774 8.017347 7.761258 5.249747 5.312382 7.121799 7.939167 7.143297 3.206054 3.685932 3.776540 7.235890 6.319171 7.197831 3.369260 3.767460 2.415083 3.445796 2.478643 3.918061 0.965071 0.000000 3.454275 7.730991 4.138497 4.922555 4.288693 4.252402 5.172009 5.600154 4.418566 6.790037 6.520952 4.903737 5.234368 5.607202 6.413297 5.611266 1.727180 2.132100 2.379710 6.006954 5.157166 5.846015 2.984823 2.984283 2.124409 3.188674 2.324174 3.431438 0.990363 1.565376 0.000000 3.415671 4.749686 5.760350 2.775816 1.818524 3.721272 4.135432 3.065467 4.560787 3.916204 3.408756 6.027254 6.417810 3.874075 4.820532 3.928344 3.516130 3.226177 3.296615 2.800366 1.842725 3.054351 5.523415 5.290992 4.882612 2.740963 2.977235 2.916389 3.880416 4.548556 3.503817 0.000000 3.559994 5.665009 5.176531 3.532944 2.558204 3.227773 3.713330 3.944821 4.000073 4.865964 4.314632 5.413440 5.692657 4.555077 5.468295 4.735597 3.677107 3.401806 3.682363 3.486003 2.518658 3.762404 5.065904 4.994420 4.377765 1.764787 2.109166 2.062122 3.337274 4.020348 3.205077 0.986973 0.000000 2.572871 4.991047 5.289354 3.079642 2.248657 3.510827 4.037931 3.346289 4.276569 4.079943 3.621204 5.643034 6.144015 3.295841 4.240701 3.337951 2.699707 2.306597 2.536709 3.020449 2.196344 2.957619 4.903678 4.550317 4.337968 3.019813 3.029333 3.021648 3.553046 4.291705 3.004651 0.967905 1.539457 0.000000 4.430358 4.968940 7.468497 2.734825 2.920280 6.471287 7.078966 3.057946 7.069883 4.089810 4.376420 8.087605 8.659791 4.401782 5.178068 3.703822 2.795860 3.189671 1.818197 4.995010 4.519935 4.770077 6.408723 5.879325 5.845346 5.767096 5.402286 5.987722 4.929387 5.233414 4.008592 3.684528 4.388073 3.184738 0.000000 4.745862 4.369956 7.717201 1.759767 2.071700 6.439938 6.991912 2.183946 7.123052 3.514124 3.830258 8.273094 8.781924 4.562113 5.409972 3.902568 3.301239 3.634106 2.363518 4.570059 4.048240 4.534786 6.789709 6.345411 6.141552 5.462392 5.210873 5.777971 5.014586 5.308765 4.192702 3.213969 3.965113 2.966465 0.988257 0.000000 5.273905 5.516947 8.157593 3.242131 3.610868 7.357863 7.999832 3.612807 7.912994 4.712418 5.134009 8.835396 9.390305 5.268363 5.989246 4.509679 3.342488 3.902856 2.411038 5.903089 5.442520 5.693109 6.960864 6.450193 6.385416 6.523027 6.084274 6.808287 5.426403 5.584387 4.510804 4.560741 5.218207 4.103616 0.965332 1.561442 0.000000 4.484430 3.538759 8.287193 3.806240 3.959209 6.691908 6.985247 3.319812 7.420240 2.811367 3.068127 8.681026 9.411527 2.727606 3.199497 1.745580 4.523862 4.285962 3.801225 3.885186 4.001342 3.373993 7.631837 6.900687 7.316722 6.909605 6.852167 6.811226 6.826578 7.406027 5.942003 4.380984 5.308262 3.891304 2.812188 3.010473 3.393760 0.000000 4.272642 3.961148 7.914473 3.302725 3.478580 6.528007 6.943592 3.049986 7.215123 3.131219 3.422424 8.395231 9.087191 3.154547 3.775162 2.245647 3.774630 3.707285 2.963723 4.184853 4.068264 3.757597 7.104950 6.416463 6.718424 6.466291 6.301208 6.462254 6.116434 6.622145 5.201072 4.020085 4.907795 3.479611 1.843545 2.170257 2.442021 0.979204 0.000000 0.978368 6.841139 3.385033 5.625038 4.814119 1.846526 2.451050 5.760771 2.329401 5.984939 5.329628 3.586743 4.330232 3.229402 3.807831 3.831388 3.292631 2.370462 3.766792 4.098684 3.623695 3.622834 3.510123 3.025467 3.449271 3.472643 3.462669 2.775593 3.847094 4.801885 3.534357 3.222270 3.152172 2.574381 5.037340 5.200374 5.916298 5.141111 4.956580 0.000000 4.912427 2.565216 8.657349 3.310600 3.536655 6.797459 7.018807 2.636284 7.608279 1.851997 2.234424 8.994250 9.672766 3.000483 3.542350 2.132992 5.000780 4.767848 4.235877 3.384153 3.568914 3.080311 8.103956 7.439553 7.716059 6.829592 6.879787 6.790060 7.064303 7.637604 6.238236 4.156099 5.131894 3.877005 3.099036 2.977238 3.703352 0.978072 1.541518 5.426916 0.000000 0.979739 5.875967 4.785548 5.148800 4.523449 3.289512 3.659158 5.093958 3.851675 5.023787 4.469559 5.044413 5.846982 1.809064 2.410070 2.348065 3.229917 2.293682 3.386708 3.545870 3.315467 2.804291 4.595155 3.882439 4.536768 4.608927 4.580928 4.072469 4.753281 5.635113 4.148003 3.338632 3.712108 2.536238 4.257901 4.527296 5.144988 3.758234 3.721744 1.565614 4.155425 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9318,-.7049,-1.4847;-5.2129,-1.1509,.9871;4.7141,-.4935,-.6495;-2.9283,1.456,1.6833;-2.084,.9674,1.7757;2.4458,-1.9564,.5404;2.3063,-2.8926,.729;-3.5659,.7627,1.4208;3.3822,-1.8702,.2412;-4.3892,-.7449,.6915;-3.678,-1.4141,.8353;4.9574,-1.4073,-.3702;5.5805,-1.2943,.3581;-1.5787,-1.8749,-1.7961;-1.7069,-2.4845,-2.5332;-2.2582,-1.164,-1.9034;.5701,1.9957,-1.0951;.6745,1.0299,-1.2526;-.3872,2.1373,-.9469;-2.1573,-2.3322,.9092;-1.5768,-1.622,1.2523;-1.9539,-2.3407,-.0481;4.0763,1.0566,-1.195;3.3931,.8326,-1.8403;3.5844,1.4783,-.4577;1.9474,-.0104,2.4613;2.1919,.7999,1.9683;2.1976,-.7422,1.8586;2.4782,2.1699,.8037;2.6486,3.0741,1.0948;1.7009,2.2157,.1917;-.6161,-.068,1.4928;.2592,-.0445,1.9482;-.3997,.1,.5644;-2.1837,2.3664,-.7858;-2.4909,2.1587,.1303;-2.5287,3.2442,-.9914;-3.4677,.0924,-1.8292;-3.0172,.9239,-1.5751;1.4001,-1.1735,-.7647;-3.9301,-.1837,-1.0127;.0686,-1.1568,-1.5882; 0.4742116 0.2063514 0.1939385 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= 484 484 484 484 484 MxSgAt= 42 MxSgA2= 42. 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= 476 RedAO= T EigKep= 1.80D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 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= 484 484 484 484 484 MxSgAt= 42 MxSgA2= 42. 1 -7.63535186e-01 -3.05648745e-01 -1.18685226e-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 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 1 1 -0.000772482 0.002397335 -0.001443597 0.001273037 -0.002466007 -0.000475714 -0.000546879 0.000618922 -0.001526671 -0.001623033 -0.001017305 -0.001629610 -0.000820694 0.001279936 0.003258775 -0.000650022 -0.001006441 -0.002121369 0.001891068 -0.001261893 0.001753511 0.002837140 -0.001183551 -0.000181431 0.000132215 0.000290712 0.000523469 -0.001367560 0.001594412 -0.002354696 0.000591637 -0.000230337 0.001383298 0.001380853 0.001031313 0.001382837 -0.002114943 -0.000077335 0.002266666 -0.001485864 -0.000519823 0.001494801 0.002655443 0.001080561 0.000580170 0.000399731 -0.000004830 -0.000405906 -0.000806969 0.000879290 -0.000338682 0.000897585 0.000401163 0.001138806 0.001126388 -0.001897726 -0.002067870 0.000991889 -0.001768604 0.001450806 -0.003421168 0.000247952 0.000194864 0.001279513 0.002707188 -0.000619626 -0.001533479 0.002847442 0.002115927 0.003719946 0.000656943 -0.002343880 -0.001924679 -0.003121405 -0.001304595 -0.001915112 -0.002141799 0.001501722 -0.001288450 0.002232427 -0.001951932 0.002334161 0.001316007 0.001352905 -0.000171595 -0.000650339 0.002456301 -0.002413441 0.000096772 -0.000883523 0.000164207 0.000077112 -0.000863665 0.000601908 -0.003215458 -0.000215299 -0.000002729 -0.000512730 0.000102467 0.001176412 0.003347098 -0.002258826 0.000598727 0.001918485 0.001429169 -0.000359499 -0.000990734 0.000023522 -0.000984212 0.000481784 -0.002640964 0.001881984 0.001222464 -0.001141114 -0.002556753 0.000756758 -0.000894516 -0.001235741 -0.000495373 0.003025131 -0.000005577 -0.003254290 0.000803423 0.002067038 -0.001666094 -0.000575084 0.003719946 0.001605836 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1070.73962056687 -1070.73983297891 -0.000212412042 -1070.73983424593 -0.000001267017 -1070.73983491061 -0.000000664684 -1070.73983499724 -0.000000086626 -1070.73983499800 -0.000000000763 -1070.73983499879 -0.000000000788 -1070.73983500 7 1.067071759309e+03 -5.060609233427e+03 1.657837889374e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 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) PT51593S Tue Nov 5 07:12:42 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 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 H H -0.807903 0.349963 0.427725 -0.708722 0.359940 -0.766787 0.328881 0.365740 0.459686 -0.777091 0.400062 -0.757828 0.317395 -0.795765 0.335357 0.434830 -0.816107 0.378280 0.426738 -0.717084 0.357026 0.376894 -0.669980 0.306109 0.376157 -0.717575 0.368633 0.346521 -0.748700 0.334439 0.422814 -0.779845 0.454163 0.333754 -0.782066 0.422007 0.332719 -0.733960 0.387268 0.362194 0.366873 0.447243 -0.00000 -19.12900 -19.12864 -19.12836 -19.12809 -19.12807 -19.12629 -19.12513 -19.12377 -19.11574 -19.11509 -19.11443 -19.11255 -19.11250 -19.11027 -1.02897 -1.02558 -1.02052 -1.01914 -1.01836 -1.01629 -1.01207 -1.00403 -1.00215 -1.00036 -0.99986 -0.99504 -0.98994 -0.98845 -0.54329 -0.54219 -0.54194 -0.53864 -0.53731 -0.53307 -0.53096 -0.52899 -0.52588 -0.52416 -0.52217 -0.52097 -0.51970 -0.51904 -0.44213 -0.43518 -0.43419 -0.42232 -0.42059 -0.40911 -0.40553 -0.39620 -0.39348 -0.39267 -0.38260 -0.38118 -0.37346 -0.36341 -0.33051 -0.32966 -0.32819 -0.32774 -0.32708 -0.32612 -0.32416 -0.32077 -0.31900 -0.31798 -0.31691 -0.31657 -0.31309 -0.31062 -0.00243 0.02104 0.03823 0.04815 0.05192 0.05700 0.07067 0.07840 0.08926 0.09208 0.09607 0.10742 0.11026 0.11236 0.11872 0.12458 0.12824 0.13144 0.14111 0.14341 0.15016 0.15194 0.15450 0.16192 0.16282 0.17170 0.17283 0.17679 0.18282 0.18671 0.19185 0.19429 0.19994 0.20213 0.20307 0.21086 0.21480 0.21798 0.22417 0.22853 0.23050 0.23990 0.24255 0.24402 0.24679 0.25022 0.25409 0.25875 0.25975 0.26322 0.26625 0.27139 0.27231 0.27605 0.28008 0.28267 0.28499 0.28658 0.29110 0.29690 0.29939 0.30092 0.30708 0.30830 0.31331 0.32287 0.32610 0.33226 0.35846 0.36000 0.37474 0.39360 0.41586 0.43702 0.43927 0.45959 0.46062 0.46721 0.47747 0.47949 0.48647 0.49930 0.50503 0.52110 0.52846 0.53588 0.54094 0.54575 0.54895 0.55478 0.55856 0.56807 0.57239 0.57959 0.58440 0.58796 0.60077 0.60790 0.61746 0.61989 0.63319 0.64023 0.64679 0.65681 0.66162 0.67417 0.67850 0.68758 0.70169 0.70195 0.71647 0.72701 0.94023 0.94519 0.95393 0.95511 0.96724 0.96914 0.97049 0.98121 0.99119 0.99450 1.00112 1.01145 1.01451 1.01789 1.02785 1.03097 1.03513 1.04279 1.05332 1.06156 1.06638 1.07145 1.07480 1.08104 1.08363 1.08698 1.09619 1.10305 1.10796 1.11658 1.12258 1.12617 1.13212 1.14191 1.14402 1.15108 1.15693 1.16521 1.17548 1.18620 1.20163 1.20471 1.22690 1.24384 1.25212 1.26680 1.27322 1.27905 1.28604 1.30047 1.30293 1.30725 1.30964 1.31362 1.32114 1.33249 1.33698 1.34105 1.35680 1.36484 1.37649 1.38040 1.38329 1.39578 1.40044 1.40610 1.41635 1.42106 1.43153 1.43754 1.45096 1.46140 1.47227 1.48936 1.49311 1.50027 1.50281 1.51719 1.51819 1.53028 1.54734 1.55316 1.56482 1.56794 1.58147 1.59357 1.60521 1.61724 1.62547 1.63405 1.64397 1.65399 1.65760 1.67377 1.68690 1.69168 1.70432 1.71478 1.72892 1.73540 1.74793 1.75788 1.76511 1.78587 1.79331 1.80718 1.81778 1.82469 1.83200 1.85902 1.86447 1.88738 2.01860 2.03476 2.03748 2.04363 2.05356 2.05814 2.07240 2.18220 2.19316 2.24152 2.24799 2.26827 2.28718 2.29561 2.30006 2.30758 2.32479 2.32771 2.34584 2.34794 2.35187 2.37798 2.39807 2.42888 2.43344 2.44940 2.45353 2.47737 2.53021 2.56836 2.57777 2.58481 2.59078 2.60218 2.62964 2.65227 2.67571 2.69487 2.69919 2.70165 2.70860 2.72149 2.72427 2.74730 2.75092 2.75621 2.77338 2.78044 2.79261 2.80536 2.82382 2.84573 2.84714 2.86705 2.87314 2.89229 3.06465 3.06971 3.07537 3.08633 3.08898 3.09428 3.10260 3.10566 3.10994 3.11470 3.11645 3.12295 3.12428 3.13187 3.13840 3.14494 3.15145 3.15375 3.15773 3.15974 3.16408 3.16830 3.17124 3.17479 3.17872 3.19371 3.21003 3.21377 3.29612 3.30445 3.30587 3.31407 3.32470 3.32671 3.33185 3.34009 3.34856 3.35434 3.36248 3.37727 3.38832 3.40704 3.68289 3.68604 3.69927 3.71152 3.71588 3.72154 3.72638 3.73407 3.73524 3.74464 3.75111 3.76439 3.77195 3.79819 3.89016 3.91093 3.91999 3.92362 3.92623 3.93613 3.94269 3.94491 3.95013 3.95822 3.96248 3.97034 3.98048 3.99911 5.00494 5.01357 5.01587 5.02334 5.03652 5.03989 5.04755 5.05071 5.05243 5.06579 5.07548 5.07955 5.09097 5.11390 5.37770 5.38319 5.40423 5.41010 5.42019 5.43435 5.44171 5.45228 5.46253 5.47326 5.48471 5.50797 5.52464 5.53634 5.65169 5.65826 5.66150 5.67048 5.67421 5.67676 5.68224 5.69357 5.71317 5.71935 5.72496 5.75019 5.76584 5.78758 49.87338 49.89744 49.90679 49.91334 49.91855 49.92129 49.92284 49.93204 49.93432 49.93588 49.94943 49.96209 49.96617 49.97798 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 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 H H -0.814380 0.359506 0.416676 -0.726798 0.368287 -0.760638 0.335539 0.367859 0.440494 -0.771281 0.390515 -0.750099 0.320015 -0.780728 0.339987 0.421408 -0.822618 0.375589 0.438637 -0.714649 0.357204 0.367517 -0.661426 0.303404 0.372578 -0.755302 0.385983 0.371094 -0.740050 0.340116 0.405959 -0.760609 0.445328 0.328234 -0.774921 0.411186 0.337100 -0.746629 0.388118 0.371148 0.373143 0.447505 -0.00000 -6.35924660e-01 -3.33922796e-01 -2.33535857e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.6164 -0.8487 -0.5936 1.9197 -91.1097 -80.1698 -116.8846 1.9383 13.0714 4.2621 4.9450 15.8849 -20.8299 1.9383 13.0714 4.2621 -78.7583 36.7814 -46.6656 2.9028 -33.5007 87.4548 -5.0956 -25.2150 -10.7387 5.8222 -4143.2974 -1186.2046 -1278.7372 144.0561 189.9246 -80.5827 69.5459 -44.8571 45.5473 -919.2510 -1136.7131 -408.0681 -91.9776 217.7251 68.3564 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1070.739835 6.48E-9 4.714E-5 9.8754229,-16.3894787,6.5140558,-8.3292155,3.5656117,4.0743946 C01 [X(H28O14)] 0.6613727 -0.2969429 -0.2117891 -0.000007386 -0.000148481 0.000042347 0.000013619 0.000021391 0.000034487 -0.000013078 -0.000018427 0.000023607 -0.000088530 -0.000009588 -0.000101333 0.000122911 -0.000032001 -0.000023326 0.000008446 0.000019264 0.000021017 -0.000006224 0.000002615 -0.000013198 0.000003368 0.000074264 0.000133200 -0.000074975 -0.000032024 -0.000000602 -0.000012786 0.000004959 -0.000048696 -0.000038535 -0.000060074 -0.000007047 0.000011416 0.000001345 -0.000019781 0.000015587 -0.000003399 -0.000042321 0.000026628 -0.000021787 -0.000040160 -0.000026468 -0.000017360 0.000015826 -0.000012976 -0.000014143 0.000082932 -0.000022425 0.000062884 0.000063606 0.000008030 -0.000001478 -0.000027804 0.000045203 -0.000046918 -0.000048413 -0.000027210 0.000032570 -0.000039540 -0.000019279 -0.000011884 0.000039610 0.000031192 0.000037554 -0.000002542 -0.000025357 0.000036348 0.000023927 0.000014467 -0.000000938 -0.000002381 0.000012496 -0.000053142 -0.000028034 0.000026093 -0.000031220 0.000035130 -0.000076882 0.000038293 -0.000054027 0.000021507 0.000001801 -0.000008022 -0.000024711 0.000022333 0.000069479 0.000035911 -0.000018850 -0.000018639 0.000009947 0.000047684 -0.000041665 0.000031389 0.000182483 -0.000026465 0.000008439 -0.000013271 -0.000042058 -0.000016834 -0.000186353 0.000074664 0.000008448 -0.000043524 -0.000033364 0.000023687 0.000039903 0.000001870 0.000020263 -0.000000287 0.000020887 0.000007526 0.000047443 -0.000035616 -0.000034549 0.000021531 -0.000028713 0.000000237 0.000088844 -0.000019738 0.000019044 -0.000064956 0.000070275 0.000002351 0.000046597 0.000000621 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8646,1.6166,.4921;2.7232,-4.3341,-1.7886;-1.5629,3.5367,2.8307;-.5198,-2.9612,-2.1027;-.6481,-2.54,-1.2274;-.159,.9505,3.0353;.432,.5857,3.7055;.4006,-3.2893,-2.0657;-.4981,1.803,3.3989;2.2209,-3.5132,-1.7206;2.2491,-3.2437,-.7714;-1.2217,3.3618,3.7391;-2.0066,3.2547,4.2903;3.0322,.0163,-.2213;3.9188,.3866,-.1307;2.9402,-.2531,-1.1687;-.9989,1.4762,-1.5287;-.3103,1.5232,-.8272;-.7181,.7534,-2.1265;2.0956,-2.4223,.7978;1.1459,-2.1889,.7461;2.5423,-1.5845,.56;-1.9934,3.7371,1.133;-1.1516,3.7275,.659;-2.4559,2.9292,.822;-2.3105,-.5147,2.061;-2.6959,.1256,1.4278;-1.5989,-.0102,2.5087;-3.1003,1.3675,.1593;-3.9544,1.3954,-.289;-2.4137,1.3097,-.5521;-.4965,-1.5078,.2621;-1.1887,-1.2599,.9206;-.1911,-.6576,-.0854;-.1008,-.5219,-3.266;-.3289,-1.4288,-2.9465;-.4104,-.4736,-4.179;2.6332,-.9292,-2.7485;1.7143,-.699,-2.9966;.5501,1.33,1.3732;2.5815,-1.8754,-2.5063;1.6412,1.0567,.2842; Gaussian 16 GINC-GASCONES LAMSABHI Optimization 14H2O CONF377 water EM64L-G16RevC.01 120 C1[X(H28O14)] 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8646,1.6166,.4921;2.7232,-4.3341,-1.7886;-1.5629,3.5367,2.8307;-.5198,-2.9612,-2.1027;-.6481,-2.54,-1.2274;-.159,.9505,3.0353;.432,.5857,3.7055;.4006,-3.2893,-2.0657;-.4981,1.803,3.3989;2.2209,-3.5132,-1.7206;2.2491,-3.2437,-.7714;-1.2217,3.3618,3.7391;-2.0066,3.2547,4.2903;3.0322,.0163,-.2213;3.9188,.3866,-.1307;2.9402,-.2531,-1.1687;-.9989,1.4762,-1.5287;-.3103,1.5232,-.8272;-.7181,.7534,-2.1265;2.0956,-2.4223,.7978;1.1459,-2.1889,.7461;2.5423,-1.5845,.56;-1.9933,3.7371,1.133;-1.1516,3.7275,.659;-2.4559,2.9292,.822;-2.3105,-.5147,2.061;-2.6959,.1256,1.4278;-1.5989,-.0102,2.5087;-3.1003,1.3675,.1593;-3.9544,1.3954,-.289;-2.4137,1.3097,-.5521;-.4965,-1.5078,.2621;-1.1887,-1.2599,.9206;-.1911,-.6576,-.0854;-.1008,-.5219,-3.266;-.3289,-1.4288,-2.9465;-.4104,-.4736,-4.179;2.6332,-.9292,-2.7485;1.7143,-.699,-2.9966;.5501,1.33,1.3732;2.5815,-1.8754,-2.5063;1.6412,1.0567,.2842; Optimization 14H2O CONF377 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 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 1 1 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 1.0078250 1.0078250 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 1 1 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 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF377/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 1 1 1 2 3 3 4 4 4 5 6 6 6 6 8 9 10 10 11 12 14 14 14 14 16 17 17 17 19 20 20 21 23 23 25 26 26 26 27 29 29 32 32 35 35 35 38 38 18 40 42 10 12 23 5 8 36 32 7 9 28 40 10 12 11 41 20 13 15 16 22 42 38 18 19 31 35 21 22 32 24 25 29 27 28 33 29 30 31 33 34 36 37 39 39 41 1.769 0.9784 0.9797 0.9648 0.986 1.7628 0.9798 0.9778 1.7598 1.8185 0.9651 0.9869 1.8093 1.8465 1.8662 1.7519 0.987 1.852 1.7779 0.9651 0.965 0.9892 1.8475 1.8091 1.7456 0.9841 0.9791 1.7272 1.8182 0.9793 0.9787 1.8427 0.9661 0.9815 1.8147 0.9795 0.9805 1.7648 1.8207 0.9651 0.9904 0.987 0.9679 0.9883 0.9653 1.8435 0.9792 0.9781 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 18 18 40 5 5 8 4 7 7 7 9 9 28 4 2 2 2 8 8 11 3 3 9 15 15 15 16 16 22 18 18 19 11 11 21 3 3 24 27 27 28 25 25 25 27 27 30 5 5 5 21 21 33 19 19 19 36 36 37 16 16 39 10 1 1 1 4 4 4 5 6 6 6 6 6 6 8 10 10 10 10 10 10 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 23 23 23 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 38 38 38 41 40 42 42 8 36 36 32 9 28 40 28 40 40 10 8 11 41 11 41 41 9 13 13 16 22 42 22 42 42 19 31 31 21 22 22 24 25 25 28 33 33 27 30 31 30 31 31 21 33 34 33 34 34 36 37 39 37 39 39 39 41 41 38 116.2752 109.7538 106.1752 103.5186 93.91 102.0214 164.7498 106.3264 119.2589 117.8783 107.0016 106.6206 98.7861 164.8751 126.6449 106.5743 128.4 99.9569 90.3101 99.2629 97.0016 105.3389 110.37 106.2554 122.437 117.3563 98.2991 110.6472 100.1506 105.6602 100.0664 120.5943 98.4625 98.1395 103.053 104.9861 109.0662 104.2975 104.1437 96.2207 92.9246 104.6981 117.3281 93.8134 122.6742 107.8572 106.3536 94.5684 129.0865 103.3458 122.8648 97.9188 103.8998 111.2712 116.6661 108.0679 106.1147 95.2704 117.3088 107.6593 99.2008 103.9205 166.1384 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 12 6 10 14 1 17 20 14 23 26 6 17 26 4 35 1 1 12 6 10 14 1 17 20 14 23 26 6 17 26 4 35 1 1 3 9 11 16 18 19 21 22 25 27 28 31 33 36 39 40 42 3 9 11 16 18 19 21 22 25 27 28 31 33 36 39 40 42 23 12 20 38 17 35 32 20 29 29 26 29 32 35 38 6 14 23 12 20 38 17 35 32 20 29 29 26 29 32 35 38 6 14 1 25 5 5 2 14 1 3 1 1 2 6 1 3 1 2 4 1 25 5 5 2 14 1 3 1 1 2 6 1 3 1 2 4 -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 -2 172.7329 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 169.2421 170.4528 172.1229 181.4679 178.1036 171.3821 176.2549 172.7815 169.8057 172.7403 169.4044 169.5504 172.4439 178.7564 185.5708 177.4138 180.625 181.585 189.5411 183.8031 177.5902 183.3185 166.7968 164.5868 182.1464 178.0637 187.4132 170.0605 181.738 170.7589 169.5844 182.7752 176.746 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 18 18 18 42 42 42 18 18 18 40 40 40 40 40 42 42 5 5 5 8 8 8 7 7 28 28 40 40 7 7 9 9 40 40 2 2 8 8 41 41 9 9 13 13 8 36 5 36 4 4 4 4 4 4 2 8 11 15 15 16 16 42 42 15 15 22 22 42 42 18 18 18 19 19 19 18 18 18 31 31 31 11 11 11 22 22 22 3 3 3 24 24 24 28 28 28 33 33 33 27 27 27 28 28 28 19 19 36 36 37 37 16 39 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 12 12 12 12 4 4 4 4 5 5 5 8 8 8 10 10 10 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 26 26 26 35 35 35 35 35 35 38 38 6 6 6 6 6 6 14 14 14 14 14 14 17 17 17 17 35 35 35 35 35 35 12 12 12 12 12 12 26 26 26 26 26 26 20 20 20 20 20 20 23 23 23 23 5 5 8 8 32 32 32 10 10 10 41 41 41 20 20 20 20 20 20 38 38 38 38 38 38 29 29 29 29 29 29 35 35 35 35 35 35 32 32 32 32 32 32 29 29 29 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 38 38 41 41 7 9 28 7 9 28 15 16 22 15 16 22 19 31 19 31 19 37 39 19 37 39 3 13 3 13 3 13 27 33 27 33 27 33 21 22 21 22 21 22 24 25 24 25 32 32 10 10 21 33 34 2 11 41 38 38 38 11 21 11 21 11 21 39 41 39 41 39 41 25 27 30 25 27 30 36 37 39 36 37 39 5 33 34 5 33 34 27 30 31 27 30 31 25 30 31 25 30 31 5 21 34 5 21 34 16 41 16 41 16 41 10 10 152.0821 -89.0981 21.1366 27.6502 146.4699 -103.2953 131.7525 10.3179 -92.4123 -102.1346 136.4308 33.7007 -110.3685 15.2432 10.135 135.7467 -16.7995 -147.6329 92.2781 -120.6964 108.4702 -11.6188 167.866 -84.3185 -61.5807 46.2348 40.5205 148.336 179.361 -84.7708 55.9728 151.841 -53.5004 42.3678 -137.6109 118.7018 -3.3155 -107.0028 87.2035 -16.4838 -60.7674 49.3252 -173.584 -63.4914 55.5796 -47.7848 -33.5216 63.538 -63.2784 156.7026 35.9866 159.9968 40.5539 -58.9073 -158.8574 61.1562 -38.9852 -100.8296 160.3588 13.6576 -85.154 125.3033 26.4917 -140.7294 112.5433 92.802 -13.9253 -9.1742 -115.9015 56.8926 -47.0453 174.6735 170.6767 66.7388 -71.5424 82.2206 -154.8965 -21.1188 -30.4413 92.4416 -133.7808 10.2453 156.1838 -93.3262 108.7874 -105.274 5.2159 -13.7593 127.6941 -122.611 96.0285 -122.5181 -12.8233 -19.0271 -158.0327 78.6203 -112.2359 108.7585 -14.5886 -70.5116 150.1817 45.6715 -174.7191 45.9742 -58.536 17.5039 119.5039 -95.6559 6.3441 154.6278 -103.3723 46.6233 -64.2778 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. -0.00130 0.00020 0.00023 0.00027 0.00033 0.00058 0.00072 0.00102 0.00112 0.00120 0.00132 0.00159 0.00163 0.00183 0.00189 0.00228 0.00251 0.00270 0.00296 0.00312 0.00358 0.00380 0.00410 0.00428 0.00477 0.00499 0.00519 0.00528 0.00546 0.00563 0.00610 0.00643 0.00662 0.00687 0.00703 0.00739 0.00760 0.00779 0.00821 0.00884 0.00899 0.00903 0.00966 0.00974 0.00988 0.01018 0.01037 0.01056 0.01080 0.01135 0.01155 0.01197 0.01227 0.01254 0.01264 0.01307 0.01332 0.01360 0.01391 0.01404 0.01439 0.01460 0.01508 0.01545 0.01564 0.01622 0.01636 0.01645 0.01687 0.01711 0.01833 0.01848 0.01937 0.01961 0.02074 0.02164 0.02246 0.02408 0.03512 0.03781 0.04224 0.04310 0.04400 0.04504 0.04646 0.04667 0.04849 0.05261 0.05393 0.05497 0.05628 0.06864 0.33500 0.35502 0.37334 0.39894 0.40966 0.41452 0.42006 0.42452 0.43063 0.43535 0.43815 0.44549 0.44819 0.45308 0.45898 0.46191 0.46496 0.46807 0.47068 0.47607 0.51779 0.52313 0.52618 0.52676 0.52691 0.52696 0.52712 0.52810 Angle between quadratic step and forces= 75.75 degrees. 1 2 3 0.00678285 0.00002716 0.00000000 0.00002084 0.00000581 0.00000581 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 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 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 3.34301 1.84885 1.85144 1.82314 1.86327 3.33119 1.85156 1.84776 3.32548 3.43651 1.82377 1.86496 3.41911 3.48943 3.52660 3.31056 1.86525 3.49977 3.35975 1.82379 1.82363 1.86941 3.49128 3.41863 3.29867 1.85973 1.85016 3.26390 3.43589 1.85057 1.84956 3.48225 1.82571 1.85483 3.42934 1.85104 1.85281 3.33496 3.44069 1.82372 1.87151 1.86511 1.82908 1.86753 1.82421 3.48379 1.85043 1.84829 2.02939 1.91557 1.85311 1.80674 1.63904 1.78061 2.87543 1.85575 2.08146 2.05736 1.86753 1.86088 1.72414 2.87761 2.21037 1.86007 2.24100 1.74458 1.57621 1.73246 1.69300 1.83851 1.92632 1.85451 2.13693 2.04825 1.71564 1.93116 1.74796 1.84412 1.74649 2.10477 1.71849 1.71286 1.79861 1.83235 1.90357 1.82033 1.81765 1.67937 1.62184 1.82733 2.04776 1.63735 2.14107 1.88246 1.85622 1.65053 2.25298 1.80372 2.14439 1.70901 1.81339 1.94205 2.03621 1.88614 1.85205 1.66278 2.04743 1.87901 1.73138 1.81375 2.89966 3.01476 2.95383 2.97496 3.00411 3.16721 3.10849 2.99118 3.07623 3.01561 2.96367 3.01489 2.95666 2.95921 3.00971 3.11989 3.23882 3.09646 3.15250 3.16926 3.30812 3.20797 3.09953 3.19951 2.91115 2.87258 3.17905 3.10780 3.27098 2.96812 3.17193 2.98030 2.95981 3.19003 3.08480 2.65433 -1.55506 0.36890 0.48259 2.55638 -1.80284 2.29951 0.18008 -1.61290 -1.78258 2.38117 0.58819 -1.92629 0.26604 0.17689 2.36923 -0.29321 -2.57668 1.61056 -2.10655 1.89316 -0.20279 2.92981 -1.47163 -1.07479 0.80695 0.70722 2.58895 3.13044 -1.47953 0.97691 2.65013 -0.93376 0.73946 -2.40176 2.07174 -0.05787 -1.86755 1.52199 -0.28770 -1.06059 0.86089 -3.02961 -1.10813 0.97005 -0.83400 -0.58506 1.10895 -1.10442 2.73498 0.62808 2.79247 0.70780 -1.02813 -2.77258 1.06738 -0.68042 -1.75981 2.79879 0.23837 -1.48622 2.18695 0.46237 -2.45619 1.96425 1.61970 -0.24304 -0.16012 -2.02286 0.99296 -0.82110 3.04863 2.97887 1.16481 -1.24865 1.43502 -2.70345 -0.36859 -0.53130 1.61341 -2.33491 0.17881 2.72592 -1.62885 1.89870 -1.83738 0.09103 -0.24014 2.22868 -2.13997 1.67601 -2.13834 -0.22381 -0.33209 -2.75819 1.37218 -1.95889 1.89819 -0.25462 -1.23066 2.62117 0.79712 -3.04942 0.80240 -1.02165 0.30550 2.08574 -1.66951 0.11072 2.69876 -1.80419 0.81373 -1.12186 0.00001 -0.00004 -0.00002 -0.00002 -0.00004 -0.00002 -0.00004 -0.00003 0.00000 0.00001 -0.00001 -0.00003 -0.00001 0.00001 -0.00002 -0.00003 -0.00003 -0.00002 -0.00000 -0.00004 -0.00003 -0.00005 -0.00003 0.00000 0.00002 -0.00001 0.00008 0.00001 0.00001 -0.00003 0.00002 -0.00004 0.00001 0.00002 -0.00003 0.00006 0.00001 -0.00000 -0.00002 -0.00003 0.00004 -0.00004 -0.00020 -0.00003 -0.00002 -0.00003 0.00002 0.00006 0.00001 0.00001 0.00002 -0.00005 0.00001 0.00000 0.00003 0.00001 0.00000 -0.00001 -0.00002 0.00001 0.00001 0.00004 0.00003 -0.00002 0.00000 -0.00002 -0.00002 0.00001 0.00001 -0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00002 -0.00001 -0.00002 0.00002 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00002 -0.00002 0.00000 0.00000 -0.00000 0.00001 0.00002 0.00002 0.00002 -0.00002 -0.00000 -0.00000 0.00001 -0.00002 0.00001 -0.00001 0.00002 -0.00001 -0.00001 -0.00005 -0.00002 0.00002 0.00003 0.00002 0.00000 -0.00001 -0.00001 -0.00003 -0.00001 -0.00000 -0.00000 0.00001 0.00004 -0.00003 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00002 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00002 -0.00002 0.00001 0.00000 0.00000 -0.00003 -0.00002 0.00001 0.00002 -0.00002 -0.00003 -0.00003 0.00003 0.00003 0.00002 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00003 0.00001 0.00001 -0.00000 -0.00001 -0.00002 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00001 -0.00002 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00003 -0.00002 -0.00001 -0.00002 -0.00001 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00002 0.00000 0.00001 0.00002 0.00001 -0.00001 0.00002 -0.00000 0.00001 -0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00062 -0.00001 -0.00014 -0.00001 0.00004 -0.00115 0.00010 -0.00002 -0.00223 -0.00132 -0.00003 0.00021 -0.00024 -0.00238 -0.00185 -0.00321 0.00002 -0.00141 -0.00063 -0.00005 -0.00005 -0.00019 -0.00437 0.00043 0.00135 -0.00014 0.00018 -0.00126 -0.00030 -0.00024 0.00026 0.00274 -0.00003 0.00026 -0.00430 0.00025 0.00001 0.00012 -0.00126 -0.00001 0.00022 -0.00013 -0.00023 0.00003 -0.00006 -0.00119 0.00009 0.00024 0.00276 0.00508 0.00134 -0.00133 0.00195 0.00120 0.00448 0.00006 0.00362 -0.00315 -0.00172 0.00112 -0.00008 0.00124 0.00696 -0.00042 -0.00374 -0.00280 -0.00136 0.00022 0.00418 -0.00032 -0.00142 0.00001 -0.00289 0.00264 0.00105 -0.00287 0.00142 -0.00047 0.00049 0.00127 0.00206 0.00000 -0.00008 0.00061 -0.00240 0.00011 0.00010 0.00135 -0.00183 0.00523 0.00157 0.00137 -0.00564 -0.00078 -0.00044 -0.00205 -0.00493 0.00453 0.00670 -0.00444 0.00017 -0.00274 0.00097 -0.00024 0.00037 -0.00117 0.00203 0.00268 -0.00339 0.00037 0.00265 0.00253 0.00340 0.00127 0.00121 0.00063 -0.00148 -0.00562 -0.00086 0.00218 0.00027 0.00058 0.00104 0.00046 -0.00010 -0.00107 -0.00174 -0.00268 0.00038 0.00216 0.00016 0.00079 -0.00088 -0.00089 -0.00467 0.00036 -0.00132 0.00094 0.00171 0.00157 -0.00260 -0.00066 0.00026 0.00350 -0.00349 0.01012 0.00991 0.00808 0.00180 0.00159 -0.00024 -0.00201 -0.00079 -0.00152 0.00517 0.00639 0.00566 -0.00842 -0.00707 -0.00079 0.00056 -0.00343 -0.00283 -0.00454 -0.00244 -0.00184 -0.00355 -0.00078 0.00099 0.00274 0.00451 0.00327 0.00504 -0.00264 -0.00151 -0.00403 -0.00291 -0.00456 -0.00343 -0.00421 -0.00441 0.00251 0.00231 0.00105 0.00085 -0.01004 -0.01017 -0.01052 -0.01065 -0.00161 -0.00320 -0.00247 -0.00041 -0.00174 -0.00487 -0.00630 0.00741 0.00634 0.00646 -0.00239 -0.00823 -0.00518 -0.00009 -0.00219 -0.00051 -0.00261 -0.00306 -0.00516 -0.00184 -0.00172 0.00105 0.00116 -0.00073 -0.00061 0.00880 0.00248 0.01176 0.00944 0.00313 0.01240 -0.00319 -0.00401 -0.00021 -0.00328 -0.00410 -0.00031 -0.00020 -0.00210 -0.00415 -0.00043 -0.00233 -0.00438 0.00864 0.00714 0.00825 0.00901 0.00751 0.00862 -0.00262 -0.00565 0.00026 -0.00104 -0.00407 0.00183 0.00495 0.00666 0.00977 0.00497 0.00668 0.00979 0.00198 -0.00102 0.00543 0.00243 0.00519 0.00219 0.00478 0.00293 -0.00062 -0.00001 -0.00014 -0.00001 0.00004 -0.00115 0.00011 -0.00002 -0.00222 -0.00131 -0.00003 0.00022 -0.00024 -0.00239 -0.00185 -0.00321 0.00002 -0.00142 -0.00063 -0.00005 -0.00005 -0.00019 -0.00437 0.00043 0.00135 -0.00014 0.00017 -0.00126 -0.00031 -0.00024 0.00026 0.00274 -0.00003 0.00026 -0.00430 0.00025 0.00001 0.00012 -0.00126 -0.00001 0.00022 -0.00012 -0.00023 0.00004 -0.00006 -0.00119 0.00009 0.00023 0.00274 0.00508 0.00132 -0.00134 0.00196 0.00119 0.00448 0.00007 0.00363 -0.00314 -0.00172 0.00112 -0.00008 0.00123 0.00697 -0.00042 -0.00374 -0.00280 -0.00136 0.00022 0.00417 -0.00033 -0.00141 0.00001 -0.00289 0.00264 0.00106 -0.00286 0.00142 -0.00047 0.00049 0.00127 0.00206 0.00000 -0.00008 0.00062 -0.00242 0.00012 0.00010 0.00135 -0.00183 0.00523 0.00158 0.00137 -0.00564 -0.00080 -0.00046 -0.00204 -0.00492 0.00452 0.00669 -0.00443 0.00019 -0.00274 0.00097 -0.00025 0.00037 -0.00117 0.00203 0.00268 -0.00338 0.00037 0.00264 0.00254 0.00340 0.00127 0.00122 0.00064 -0.00147 -0.00562 -0.00085 0.00218 0.00027 0.00058 0.00104 0.00048 -0.00010 -0.00107 -0.00174 -0.00268 0.00036 0.00216 0.00016 0.00079 -0.00088 -0.00089 -0.00466 0.00035 -0.00134 0.00094 0.00172 0.00156 -0.00262 -0.00067 0.00025 0.00350 -0.00348 0.01012 0.00991 0.00808 0.00180 0.00159 -0.00024 -0.00201 -0.00079 -0.00151 0.00517 0.00639 0.00567 -0.00843 -0.00707 -0.00079 0.00057 -0.00343 -0.00283 -0.00454 -0.00244 -0.00184 -0.00355 -0.00077 0.00099 0.00275 0.00451 0.00328 0.00504 -0.00264 -0.00150 -0.00403 -0.00290 -0.00456 -0.00342 -0.00421 -0.00441 0.00251 0.00231 0.00105 0.00085 -0.01004 -0.01018 -0.01051 -0.01065 -0.00161 -0.00319 -0.00248 -0.00042 -0.00173 -0.00487 -0.00630 0.00741 0.00634 0.00645 -0.00240 -0.00823 -0.00517 -0.00009 -0.00219 -0.00051 -0.00262 -0.00306 -0.00516 -0.00184 -0.00172 0.00104 0.00117 -0.00073 -0.00060 0.00880 0.00248 0.01176 0.00944 0.00313 0.01240 -0.00318 -0.00401 -0.00022 -0.00328 -0.00410 -0.00031 -0.00020 -0.00210 -0.00416 -0.00044 -0.00233 -0.00439 0.00864 0.00714 0.00825 0.00901 0.00751 0.00862 -0.00262 -0.00564 0.00025 -0.00105 -0.00407 0.00182 0.00495 0.00667 0.00976 0.00497 0.00669 0.00978 0.00198 -0.00101 0.00544 0.00244 0.00519 0.00219 0.00478 0.00293 3.34239 1.84883 1.85130 1.82314 1.86332 3.33004 1.85167 1.84774 3.32325 3.43520 1.82374 1.86518 3.41887 3.48704 3.52475 3.30735 1.86527 3.49835 3.35913 1.82373 1.82357 1.86922 3.48691 3.41906 3.30002 1.85959 1.85033 3.26264 3.43559 1.85033 1.84982 3.48499 1.82568 1.85509 3.42504 1.85129 1.85282 3.33509 3.43943 1.82371 1.87173 1.86499 1.82885 1.86758 1.82415 3.48260 1.85051 1.84852 2.03212 1.92064 1.85443 1.80540 1.64100 1.78180 2.87991 1.85581 2.08509 2.05422 1.86582 1.86200 1.72406 2.87884 2.21734 1.85965 2.23727 1.74178 1.57484 1.73269 1.69717 1.83818 1.92491 1.85452 2.13404 2.05089 1.71670 1.92829 1.74938 1.84365 1.74698 2.10603 1.72056 1.71286 1.79853 1.83297 1.90115 1.82045 1.81775 1.68072 1.62001 1.83256 2.04934 1.63872 2.13543 1.88167 1.85576 1.64849 2.24806 1.80824 2.15108 1.70457 1.81358 1.93931 2.03717 1.88589 1.85242 1.66162 2.04946 1.88169 1.72800 1.81412 2.90231 3.01730 2.95723 2.97624 3.00533 3.16785 3.10702 2.98556 3.07538 3.01779 2.96394 3.01547 2.95771 2.95969 3.00962 3.11882 3.23708 3.09377 3.15286 3.17142 3.30827 3.20876 3.09866 3.19863 2.90649 2.87293 3.17772 3.10874 3.27269 2.96968 3.16931 2.97964 2.96005 3.19353 3.08132 2.66445 -1.54515 0.37698 0.48439 2.55798 -1.80308 2.29750 0.17929 -1.61441 -1.77741 2.38756 0.59386 -1.93472 0.25897 0.17610 2.36979 -0.29664 -2.57951 1.60602 -2.10899 1.89132 -0.20634 2.92905 -1.47064 -1.07204 0.81146 0.71049 2.59399 3.12780 -1.48103 0.97288 2.64722 -0.93832 0.73603 -2.40597 2.06733 -0.05535 -1.86524 1.52304 -0.28685 -1.07063 0.85071 -3.04012 -1.11878 0.96844 -0.83719 -0.58754 1.10853 -1.10614 2.73010 0.62178 2.79988 0.71414 -1.02167 -2.77499 1.05914 -0.68559 -1.75989 2.79660 0.23786 -1.48883 2.18390 0.45720 -2.45803 1.96253 1.62074 -0.24188 -0.16085 -2.02347 1.00176 -0.81861 3.06039 2.98831 1.16794 -1.23625 1.43184 -2.70746 -0.36881 -0.53458 1.60931 -2.33523 0.17861 2.72382 -1.63301 1.89826 -1.83971 0.08664 -0.23151 2.23583 -2.13172 1.68502 -2.13083 -0.21519 -0.33471 -2.76383 1.37244 -1.95994 1.89412 -0.25279 -1.22571 2.62783 0.80688 -3.04446 0.80909 -1.01186 0.30749 2.08472 -1.66407 0.11316 2.70395 -1.80200 0.81851 -1.11893 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000196 0.000022 0.033383 0.006779 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -4.123804e-06 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1264.9900689725 42 42 42 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) -0.0443623930 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 6.638232 0.000000 3.879207 10.082521 0.000000 5.441091 3.535541 8.224902 0.000000 4.745711 3.859981 7.364154 0.979805 0.000000 2.821201 7.713882 2.949807 6.467673 5.531144 0.000000 3.402260 7.722641 3.667854 6.871786 5.938864 0.965095 0.000000 5.552055 2.561768 8.626937 0.977795 1.537534 6.656529 6.951492 0.000000 3.215750 8.657411 2.112435 7.277743 6.347170 0.986894 1.562323 7.523358 0.000000 5.748900 0.964767 9.204978 2.821676 3.069459 6.943112 7.031596 1.866195 7.865355 0.000000 5.209185 1.564713 8.572057 3.085192 3.016099 6.154797 6.165161 2.256978 7.099862 0.987048 0.000000 4.235666 10.263689 0.986002 8.637062 7.734687 2.727432 3.231448 8.975735 1.751874 9.429953 8.719130 0.000000 5.035219 10.812664 1.551477 9.039843 8.115972 3.209053 3.662253 9.434904 2.275418 9.990330 9.271535 0.965108 0.000000 2.787187 4.634451 6.543892 5.002230 4.592618 4.654264 4.743957 4.610295 5.362974 3.919661 3.397653 6.706139 7.498768 0.000000 3.350948 5.144225 6.981501 5.898942 5.533930 5.193254 5.187840 5.443752 5.828667 4.540820 4.046956 7.088804 7.929783 0.965022 0.000000 3.249895 4.133524 7.115791 4.491947 4.255490 5.359759 5.545454 4.058687 6.075532 3.383838 3.095070 7.380655 8.159386 0.989249 1.563435 0.000000 2.752417 6.905079 4.854656 4.499944 4.042670 4.670321 5.498789 4.995686 4.963723 5.941158 5.779256 5.599476 6.167614 4.482209 5.227316 4.316919 0.000000 1.769044 6.665896 4.359226 4.667033 4.096829 3.907669 4.687737 5.019961 4.239490 5.707051 5.410829 5.006137 5.662539 3.716198 4.434165 3.719823 0.984126 0.000000 3.179191 6.151389 5.747497 3.720035 3.414654 5.195781 5.946693 4.195150 5.628515 5.196804 5.159241 6.439092 7.006589 4.270657 5.061513 3.913259 0.979063 1.564364 0.000000 4.233304 3.276986 7.281902 3.942521 3.412240 4.633026 4.502220 3.438664 5.598721 2.747395 1.777906 7.287677 7.826440 2.804069 3.475064 3.047292 5.494185 4.898541 5.153050 0.000000 3.824283 3.676160 6.668267 3.389152 2.690070 4.098694 4.119031 3.110034 5.067115 2.998932 2.152294 6.735995 7.220308 3.058946 3.884690 3.260843 4.817404 4.286673 4.514850 0.979278 0.000000 3.614760 3.620593 6.945207 4.285054 3.779790 4.455419 4.365508 3.793099 5.364621 3.004009 2.147472 6.981430 7.617497 1.847506 2.501425 2.217995 5.125500 4.440710 4.828489 0.978746 1.532929 0.000000 3.615977 9.794169 1.762789 7.583469 6.839822 3.840441 4.736151 8.082920 3.333278 8.858315 8.387913 2.743673 3.193982 6.398039 6.912034 6.749735 3.631185 3.402417 4.599249 7.400657 6.717331 7.015762 0.000000 2.923808 9.273245 2.218466 7.263943 6.564526 3.787313 4.653944 7.685617 3.411391 8.334450 7.887202 3.102467 3.760462 5.661414 6.123183 5.993941 3.142880 2.788410 4.097798 6.955754 6.347408 6.470876 0.966122 0.000000 3.585757 9.294831 2.280623 6.855640 6.113944 3.753680 4.706002 7.427565 3.426619 8.357146 7.923452 3.196809 3.512420 6.300262 6.928884 6.573242 3.124110 3.049669 4.055578 7.025323 6.258935 6.739834 0.981536 1.537912 0.000000 4.133362 7.398970 4.191111 5.150561 4.204611 2.779401 3.381774 5.663723 3.232077 6.619998 6.021587 4.362169 4.389840 5.834004 6.664810 6.169976 4.309273 4.061502 4.656092 4.964637 4.059386 5.191083 4.363479 4.615735 3.662930 0.000000 3.971797 7.720074 3.858450 5.169888 4.283494 3.114555 3.896552 5.783912 3.395447 6.879461 6.375014 4.241249 4.296592 5.961754 6.800773 6.216888 3.666678 3.567828 4.115657 5.463160 4.536601 5.578192 3.691037 3.993704 2.878370 0.979529 0.000000 3.575132 7.472827 3.561680 5.580126 4.611096 1.809316 2.431447 5.972890 2.300392 6.689421 6.001805 3.609195 3.741651 5.375967 6.129330 5.846810 4.343928 3.891025 4.779550 4.732256 3.922706 4.840019 4.011298 4.194247 3.495658 0.980463 1.546007 0.000000 3.986564 8.379438 3.768963 5.523902 4.817098 4.134806 5.065914 6.236400 4.178007 7.461220 7.123553 4.507850 4.671507 6.291111 7.093182 6.393469 2.697562 2.963350 3.358050 6.462737 5.569789 6.380768 2.790765 3.101055 1.814727 2.789838 1.820737 3.109975 0.000000 4.886925 8.925569 4.476292 5.836624 5.224856 5.065027 5.987661 6.638458 5.070774 8.017347 7.761258 5.249747 5.312382 7.121799 7.939167 7.143297 3.206054 3.685932 3.776540 7.235890 6.319171 7.197831 3.369260 3.767460 2.415083 3.445796 2.478643 3.918061 0.965071 0.000000 3.454275 7.730991 4.138497 4.922555 4.288693 4.252402 5.172009 5.600154 4.418566 6.790037 6.520952 4.903737 5.234368 5.607202 6.413297 5.611266 1.727180 2.132100 2.379710 6.006954 5.157166 5.846015 2.984823 2.984283 2.124409 3.188674 2.324174 3.431438 0.990363 1.565376 0.000000 3.415671 4.749686 5.760350 2.775816 1.818524 3.721272 4.135432 3.065467 4.560787 3.916204 3.408756 6.027254 6.417810 3.874075 4.820532 3.928344 3.516130 3.226177 3.296615 2.800366 1.842725 3.054351 5.523415 5.290992 4.882612 2.740963 2.977235 2.916389 3.880416 4.548556 3.503817 0.000000 3.559994 5.665009 5.176531 3.532944 2.558204 3.227773 3.713330 3.944821 4.000073 4.865964 4.314632 5.413440 5.692657 4.555077 5.468295 4.735597 3.677107 3.401806 3.682363 3.486003 2.518658 3.762404 5.065904 4.994420 4.377765 1.764787 2.109166 2.062122 3.337274 4.020348 3.205077 0.986973 0.000000 2.572871 4.991047 5.289354 3.079642 2.248657 3.510827 4.037931 3.346289 4.276569 4.079943 3.621204 5.643034 6.144015 3.295841 4.240701 3.337951 2.699707 2.306597 2.536709 3.020449 2.196344 2.957619 4.903678 4.550317 4.337968 3.019813 3.029333 3.021648 3.553046 4.291705 3.004651 0.967905 1.539457 0.000000 4.430358 4.968940 7.468497 2.734825 2.920280 6.471287 7.078966 3.057946 7.069883 4.089810 4.376420 8.087605 8.659791 4.401782 5.178068 3.703822 2.795860 3.189671 1.818197 4.995010 4.519935 4.770077 6.408723 5.879325 5.845346 5.767096 5.402286 5.987722 4.929387 5.233414 4.008592 3.684528 4.388073 3.184738 0.000000 4.745862 4.369956 7.717201 1.759767 2.071700 6.439938 6.991912 2.183946 7.123052 3.514124 3.830258 8.273094 8.781924 4.562113 5.409972 3.902568 3.301239 3.634106 2.363518 4.570059 4.048240 4.534786 6.789709 6.345411 6.141552 5.462392 5.210873 5.777971 5.014586 5.308765 4.192702 3.213969 3.965113 2.966465 0.988257 0.000000 5.273905 5.516947 8.157593 3.242131 3.610868 7.357863 7.999832 3.612807 7.912994 4.712418 5.134009 8.835396 9.390305 5.268363 5.989246 4.509679 3.342488 3.902856 2.411038 5.903089 5.442520 5.693109 6.960864 6.450193 6.385416 6.523027 6.084274 6.808287 5.426403 5.584387 4.510804 4.560741 5.218207 4.103616 0.965332 1.561442 0.000000 4.484430 3.538759 8.287193 3.806240 3.959209 6.691908 6.985247 3.319812 7.420240 2.811367 3.068127 8.681026 9.411527 2.727606 3.199497 1.745580 4.523862 4.285962 3.801225 3.885186 4.001342 3.373993 7.631837 6.900687 7.316722 6.909605 6.852167 6.811226 6.826578 7.406027 5.942003 4.380984 5.308262 3.891304 2.812188 3.010473 3.393760 0.000000 4.272642 3.961148 7.914473 3.302725 3.478580 6.528007 6.943592 3.049986 7.215123 3.131219 3.422424 8.395231 9.087191 3.154547 3.775162 2.245647 3.774630 3.707285 2.963723 4.184853 4.068264 3.757597 7.104950 6.416463 6.718424 6.466291 6.301208 6.462254 6.116434 6.622145 5.201072 4.020085 4.907795 3.479611 1.843545 2.170257 2.442021 0.979204 0.000000 0.978368 6.841139 3.385033 5.625038 4.814119 1.846526 2.451050 5.760771 2.329401 5.984939 5.329628 3.586743 4.330232 3.229402 3.807831 3.831388 3.292631 2.370462 3.766792 4.098684 3.623695 3.622834 3.510123 3.025467 3.449271 3.472643 3.462669 2.775593 3.847094 4.801885 3.534357 3.222270 3.152172 2.574381 5.037340 5.200374 5.916298 5.141111 4.956580 0.000000 4.912427 2.565216 8.657349 3.310600 3.536655 6.797459 7.018807 2.636284 7.608279 1.851997 2.234424 8.994250 9.672766 3.000483 3.542350 2.132992 5.000780 4.767848 4.235877 3.384153 3.568914 3.080311 8.103956 7.439553 7.716059 6.829592 6.879787 6.790060 7.064303 7.637604 6.238236 4.156099 5.131894 3.877005 3.099036 2.977238 3.703352 0.978072 1.541518 5.426916 0.000000 0.979739 5.875967 4.785548 5.148800 4.523449 3.289512 3.659158 5.093958 3.851675 5.023787 4.469559 5.044413 5.846982 1.809064 2.410070 2.348065 3.229917 2.293682 3.386708 3.545870 3.315467 2.804291 4.595155 3.882439 4.536768 4.608927 4.580928 4.072469 4.753281 5.635113 4.148003 3.338632 3.712108 2.536238 4.257901 4.527296 5.144988 3.758234 3.721744 1.565614 4.155425 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9318,-.7049,-1.4847;-5.2129,-1.1509,.9871;4.7141,-.4935,-.6495;-2.9283,1.456,1.6833;-2.084,.9674,1.7757;2.4458,-1.9564,.5404;2.3063,-2.8926,.729;-3.5659,.7627,1.4208;3.3822,-1.8702,.2412;-4.3892,-.7449,.6915;-3.678,-1.4141,.8353;4.9574,-1.4073,-.3702;5.5805,-1.2943,.3581;-1.5787,-1.8749,-1.7961;-1.7069,-2.4845,-2.5332;-2.2582,-1.164,-1.9034;.5701,1.9957,-1.0951;.6745,1.0299,-1.2526;-.3872,2.1373,-.9469;-2.1573,-2.3322,.9092;-1.5768,-1.622,1.2523;-1.9539,-2.3407,-.0481;4.0763,1.0566,-1.195;3.3931,.8326,-1.8403;3.5844,1.4783,-.4577;1.9474,-.0104,2.4613;2.1919,.7999,1.9683;2.1976,-.7422,1.8586;2.4782,2.1699,.8037;2.6486,3.0741,1.0948;1.7009,2.2157,.1917;-.6161,-.068,1.4928;.2592,-.0445,1.9482;-.3997,.1,.5644;-2.1837,2.3664,-.7858;-2.4909,2.1587,.1303;-2.5287,3.2442,-.9914;-3.4677,.0924,-1.8292;-3.0172,.9239,-1.5751;1.4001,-1.1735,-.7647;-3.9301,-.1837,-1.0127;.0686,-1.1568,-1.5882; 0.4742116 0.2063514 0.1939385 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= 476 RedAO= T EigKep= 1.80D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 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= 484 484 484 484 484 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.73983499873 -1070.73983500 1 1.067071773327e+03 -5.060609238635e+03 1.657837880563e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 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= 42. Will process 43 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 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. 12867 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=6503340212. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 113526 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 2.84D-14 1.00D-09 XBig12= 6.19D+01 1.15D+00. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 2.84D-14 1.00D-09 XBig12= 2.03D+00 1.39D-01. 126 vectors produced by pass 2 Test12= 2.84D-14 1.00D-09 XBig12= 2.15D-02 1.00D-02. 126 vectors produced by pass 3 Test12= 2.84D-14 1.00D-09 XBig12= 6.46D-05 5.06D-04. 126 vectors produced by pass 4 Test12= 2.84D-14 1.00D-09 XBig12= 8.32D-08 1.52D-05. 73 vectors produced by pass 5 Test12= 2.84D-14 1.00D-09 XBig12= 8.50D-11 5.04D-07. 7 vectors produced by pass 6 Test12= 2.84D-14 1.00D-09 XBig12= 6.60D-14 2.13D-08. 1 vectors produced by pass 7 Test12= 2.84D-14 1.00D-09 XBig12= 8.16D-17 1.09D-09. InvSVY: IOpt=1 It= 1 EMax= 7.99D-15 Solved reduced A of dimension 711 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 156.46 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 160.869 -1.171 156.834 0.985 0.077 151.672 148.262 -0.395 146.259 1.553 0.363 140.913 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT14930.800S Tue Nov 5 07:44:59 2024 -19.12900 -19.12864 -19.12837 -19.12809 -19.12807 -19.12629 -19.12513 -19.12377 -19.11574 -19.11509 -19.11443 -19.11255 -19.11251 -19.11027 -1.02897 -1.02558 -1.02052 -1.01914 -1.01836 -1.01629 -1.01207 -1.00403 -1.00215 -1.00036 -0.99986 -0.99504 -0.98994 -0.98845 -0.54329 -0.54219 -0.54194 -0.53864 -0.53731 -0.53307 -0.53096 -0.52899 -0.52588 -0.52416 -0.52217 -0.52097 -0.51970 -0.51904 -0.44213 -0.43518 -0.43419 -0.42232 -0.42059 -0.40911 -0.40553 -0.39620 -0.39348 -0.39268 -0.38260 -0.38118 -0.37346 -0.36341 -0.33051 -0.32966 -0.32819 -0.32774 -0.32708 -0.32612 -0.32417 -0.32077 -0.31900 -0.31798 -0.31691 -0.31657 -0.31309 -0.31062 -0.00243 0.02104 0.03823 0.04815 0.05192 0.05700 0.07067 0.07840 0.08926 0.09208 0.09607 0.10742 0.11026 0.11236 0.11872 0.12458 0.12824 0.13144 0.14111 0.14341 0.15016 0.15194 0.15450 0.16192 0.16282 0.17170 0.17283 0.17679 0.18282 0.18671 0.19185 0.19429 0.19994 0.20213 0.20307 0.21086 0.21480 0.21798 0.22417 0.22853 0.23050 0.23990 0.24255 0.24402 0.24679 0.25022 0.25409 0.25875 0.25975 0.26322 0.26625 0.27139 0.27231 0.27605 0.28008 0.28267 0.28499 0.28658 0.29110 0.29690 0.29939 0.30092 0.30708 0.30830 0.31331 0.32287 0.32610 0.33226 0.35846 0.36000 0.37474 0.39360 0.41586 0.43702 0.43927 0.45959 0.46062 0.46721 0.47747 0.47949 0.48647 0.49930 0.50503 0.52110 0.52846 0.53588 0.54094 0.54575 0.54895 0.55478 0.55856 0.56807 0.57239 0.57959 0.58440 0.58796 0.60077 0.60790 0.61746 0.61989 0.63319 0.64023 0.64679 0.65681 0.66162 0.67417 0.67850 0.68758 0.70169 0.70195 0.71647 0.72701 0.94023 0.94519 0.95393 0.95511 0.96724 0.96914 0.97049 0.98121 0.99119 0.99450 1.00112 1.01145 1.01451 1.01789 1.02785 1.03097 1.03513 1.04280 1.05332 1.06156 1.06638 1.07145 1.07480 1.08104 1.08363 1.08698 1.09619 1.10305 1.10796 1.11658 1.12258 1.12617 1.13212 1.14191 1.14402 1.15108 1.15693 1.16521 1.17548 1.18620 1.20163 1.20471 1.22690 1.24384 1.25212 1.26680 1.27322 1.27905 1.28604 1.30047 1.30293 1.30725 1.30964 1.31362 1.32114 1.33249 1.33698 1.34105 1.35680 1.36484 1.37649 1.38040 1.38329 1.39578 1.40044 1.40610 1.41635 1.42106 1.43153 1.43754 1.45096 1.46140 1.47227 1.48936 1.49311 1.50027 1.50281 1.51719 1.51819 1.53028 1.54734 1.55316 1.56482 1.56794 1.58147 1.59357 1.60521 1.61724 1.62547 1.63405 1.64397 1.65399 1.65760 1.67377 1.68690 1.69168 1.70432 1.71478 1.72892 1.73540 1.74793 1.75788 1.76511 1.78587 1.79331 1.80718 1.81778 1.82469 1.83200 1.85902 1.86447 1.88738 2.01860 2.03476 2.03748 2.04363 2.05356 2.05814 2.07240 2.18220 2.19316 2.24152 2.24799 2.26827 2.28718 2.29561 2.30006 2.30758 2.32479 2.32771 2.34584 2.34794 2.35187 2.37798 2.39807 2.42888 2.43344 2.44940 2.45353 2.47737 2.53021 2.56836 2.57777 2.58481 2.59078 2.60218 2.62964 2.65227 2.67571 2.69487 2.69919 2.70165 2.70860 2.72149 2.72427 2.74730 2.75092 2.75621 2.77338 2.78044 2.79261 2.80536 2.82382 2.84573 2.84714 2.86705 2.87314 2.89229 3.06465 3.06971 3.07537 3.08633 3.08898 3.09428 3.10260 3.10566 3.10994 3.11470 3.11645 3.12295 3.12428 3.13187 3.13840 3.14494 3.15145 3.15375 3.15773 3.15974 3.16408 3.16830 3.17124 3.17478 3.17872 3.19371 3.21003 3.21377 3.29612 3.30445 3.30587 3.31407 3.32470 3.32671 3.33185 3.34009 3.34856 3.35434 3.36248 3.37727 3.38832 3.40704 3.68289 3.68604 3.69927 3.71152 3.71588 3.72154 3.72638 3.73407 3.73524 3.74464 3.75111 3.76439 3.77195 3.79819 3.89016 3.91093 3.91999 3.92362 3.92623 3.93613 3.94269 3.94491 3.95013 3.95822 3.96248 3.97034 3.98048 3.99911 5.00494 5.01357 5.01587 5.02334 5.03652 5.03989 5.04755 5.05071 5.05243 5.06579 5.07548 5.07955 5.09097 5.11390 5.37770 5.38319 5.40423 5.41010 5.42019 5.43435 5.44171 5.45229 5.46253 5.47326 5.48470 5.50797 5.52464 5.53634 5.65169 5.65826 5.66151 5.67048 5.67421 5.67676 5.68224 5.69357 5.71317 5.71935 5.72496 5.75019 5.76584 5.78758 49.87338 49.89744 49.90679 49.91334 49.91855 49.92129 49.92284 49.93204 49.93432 49.93588 49.94943 49.96209 49.96617 49.97798 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 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 H H -0.814380 0.359506 0.416677 -0.726798 0.368287 -0.760638 0.335539 0.367859 0.440494 -0.771281 0.390515 -0.750099 0.320015 -0.780728 0.339986 0.421408 -0.822618 0.375589 0.438637 -0.714650 0.357205 0.367517 -0.661426 0.303404 0.372578 -0.755304 0.385984 0.371095 -0.740050 0.340116 0.405959 -0.760608 0.445328 0.328233 -0.774921 0.411186 0.337100 -0.746629 0.388118 0.371148 0.373143 0.447505 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 4 6 10 12 14 17 20 23 26 29 32 35 38 O O O O O O O O O O O O O O 0.004273 0.009348 0.015395 -0.021260 -0.013407 -0.019334 -0.008392 0.010072 0.014556 0.001775 0.006025 0.012953 -0.026635 0.014633 -0.00000 -6.35924875e-01 -3.33921032e-01 -2.33537025e-01 1.60869386e+02 -1.17138197e+00 1.56834268e+02 9.84794958e-01 7.66888521e-02 1.51671525e+02 -53.9099 -9.3985 -0.0009 0.0010 0.0012 2.0675 5.5898 17.8878 30.4247 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -53.2926 16.2344 30.1290 30.4563 37.2041 42.8691 48.4329 52.6816 53.8917 60.7203 68.0725 70.7561 71.8572 74.7165 90.8588 107.2349 149.2203 154.0883 158.9828 173.4711 182.8739 185.4649 187.2824 193.6285 197.7177 198.2784 205.4223 210.1800 221.0231 229.0782 235.1124 238.2340 241.3632 248.2982 250.1489 256.1043 260.5257 267.7124 276.8364 280.7772 292.5965 298.4769 301.1000 325.1233 400.2362 422.2295 437.8098 439.6582 449.7620 460.6815 467.2257 517.3636 524.4787 532.4643 542.8783 553.7421 581.5404 588.6179 599.3581 611.8098 613.4087 619.2835 636.2511 651.3406 659.7001 694.6488 700.5737 718.8474 730.7387 757.4413 776.7618 791.0935 803.8114 816.9355 837.9851 856.8838 859.4157 882.9770 1600.4251 1603.0777 1605.7890 1608.2760 1612.4684 1618.0138 1626.0993 1633.2295 1643.5619 1650.0996 1651.7831 1654.2385 1656.5516 1660.8134 3267.3309 3291.2571 3312.5177 3321.8625 3334.6362 3344.2216 3383.3711 3399.4471 3472.4685 3487.6759 3494.3598 3504.3417 3506.4687 3520.8339 3523.4650 3531.9221 3539.7305 3547.3637 3549.3961 3566.2733 3793.1182 3815.1737 3827.4641 3829.0591 3830.1534 3830.8278 3831.1098 3834.7404 5.3150 5.6539 5.7896 5.9050 5.9628 5.6203 6.5059 5.8830 6.3248 6.5168 6.5311 6.3604 6.2963 6.4522 7.3347 6.6490 1.6948 5.3291 5.1148 5.4085 4.7843 4.6402 2.9359 5.6871 3.4591 3.8381 3.2652 5.1722 2.4469 4.9590 4.9428 2.7835 1.7293 5.1032 1.6677 3.7313 3.3915 2.1115 2.3328 3.9328 1.1680 1.5405 1.1332 1.2253 1.0503 1.0424 1.0452 1.0689 1.0606 1.0658 1.0817 1.0876 1.0325 1.0473 1.0435 1.0408 1.0449 1.0493 1.0383 1.0546 1.0424 1.0434 1.0421 1.0289 1.0436 1.0636 1.0446 1.0619 1.0636 1.0604 1.0525 1.0414 1.0353 1.0340 1.0415 1.0380 1.0315 1.0310 1.0739 1.0756 1.0748 1.0740 1.0725 1.0701 1.0684 1.0758 1.0688 1.0698 1.0697 1.0690 1.0738 1.0706 1.0662 1.0663 1.0661 1.0662 1.0648 1.0658 1.0645 1.0633 1.0631 1.0539 1.0572 1.0583 1.0659 1.0713 1.0577 1.0582 1.0766 1.0809 1.0831 1.0753 1.0650 1.0668 1.0667 1.0665 1.0667 1.0673 1.0669 1.0672 0.0089 0.0009 0.0031 0.0032 0.0049 0.0061 0.0090 0.0096 0.0108 0.0142 0.0178 0.0188 0.0192 0.0212 0.0357 0.0450 0.0222 0.0745 0.0762 0.0959 0.0943 0.0940 0.0607 0.1256 0.0797 0.0889 0.0812 0.1346 0.0704 0.1533 0.1610 0.0931 0.0594 0.1854 0.0615 0.1442 0.1356 0.0892 0.1053 0.1827 0.0589 0.0809 0.0605 0.0763 0.0991 0.1095 0.1180 0.1217 0.1264 0.1333 0.1391 0.1715 0.1673 0.1749 0.1812 0.1880 0.2082 0.2142 0.2198 0.2326 0.2311 0.2358 0.2486 0.2572 0.2676 0.3024 0.3021 0.3233 0.3346 0.3584 0.3742 0.3840 0.3941 0.4066 0.4309 0.4491 0.4489 0.4736 1.6207 1.6287 1.6329 1.6368 1.6429 1.6506 1.6645 1.6907 1.7010 1.7162 1.7196 1.7236 1.7361 1.7398 6.7062 6.8055 6.8921 6.9317 6.9759 7.0228 7.1795 7.2395 7.5524 7.5530 7.6055 7.6575 7.7214 7.8242 7.7364 7.7773 7.9475 8.0142 8.0396 8.0578 9.0280 9.1491 9.2068 9.2133 9.2200 9.2280 9.2258 9.2462 11.8578 0.5314 0.4659 0.6073 1.6269 5.1139 4.3660 2.2206 0.7089 3.4654 5.5241 0.3208 1.6251 2.7870 5.7140 5.6945 63.5913 5.2421 25.8893 38.8081 15.6292 14.4221 36.1641 10.4062 16.5822 15.4499 1.9096 26.0310 90.0633 96.8777 141.2299 202.2673 21.7829 10.0091 140.1486 50.4854 114.9755 156.3671 121.6787 45.1101 224.6001 141.6017 111.2435 121.9741 54.9405 9.2623 29.1443 210.4878 75.7397 161.3980 22.7229 120.7434 26.1944 7.5955 293.4423 259.9178 113.2012 37.6558 17.9670 246.7078 103.8677 220.6421 57.9859 34.0381 236.6259 678.0273 154.3749 355.4715 490.0527 331.7021 323.6746 262.0317 118.1901 136.9765 260.7837 383.5948 52.2504 180.4102 209.3005 129.5833 65.6714 355.9501 14.0426 177.0565 69.6372 206.1194 126.5423 87.0314 37.0764 151.9175 52.2833 146.9983 1189.6669 834.8076 1438.7243 1631.6542 1980.2264 473.8286 1979.9232 969.3243 1062.2676 347.5912 530.5083 978.4989 1241.4750 615.9847 1219.0110 129.8773 538.3950 127.8256 1243.4403 1297.5033 218.9323 167.5036 127.3860 102.0736 119.9034 140.9346 120.4670 126.9562 -0.17 0.06 0.31 -0.03 0.05 0.01 -0.01 0.02 -0.01 0.17 -0.06 -0.08 0.16 -0.10 -0.22 0.04 -0.04 0.05 0.08 -0.04 0.08 0.11 -0.02 -0.05 0.03 -0.01 0.01 -0.01 0.01 0.00 -0.04 -0.02 0.00 -0.00 0.02 -0.03 0.02 0.01 -0.05 -0.06 -0.04 0.01 -0.02 0.00 -0.04 -0.04 -0.02 0.00 0.01 0.13 -0.06 -0.03 0.11 0.05 0.02 0.17 -0.06 -0.08 -0.09 0.00 -0.05 -0.13 0.01 -0.08 -0.08 0.00 -0.01 0.03 0.02 0.00 0.06 -0.01 -0.02 0.02 0.01 0.03 0.01 0.02 0.01 0.01 -0.00 0.05 0.00 0.04 -0.02 0.03 0.01 0.01 0.01 0.04 -0.01 0.08 -0.01 0.09 -0.13 -0.18 0.04 -0.06 -0.09 0.23 -0.50 -0.22 0.00 0.07 -0.06 0.05 0.03 -0.05 -0.06 0.06 -0.03 0.00 0.02 0.01 0.00 0.03 -0.02 -0.10 -0.03 0.21 0.01 0.04 0.02 -0.11 -0.02 0.20 -0.03 -0.12 -0.07 -0.11 0.17 0.03 0.08 0.17 -0.02 0.02 0.05 -0.03 -0.00 0.02 -0.01 0.08 -0.02 -0.09 0.16 -0.03 -0.12 -0.01 0.07 -0.02 0.07 0.07 -0.10 -0.10 0.12 -0.00 -0.13 0.09 0.03 0.04 0.15 -0.08 0.05 0.08 -0.08 -0.07 -0.09 0.11 -0.09 -0.12 0.13 -0.04 -0.07 0.07 0.05 -0.12 0.01 0.02 -0.12 -0.01 0.05 -0.09 -0.02 -0.18 0.02 0.10 -0.14 -0.00 0.08 -0.16 -0.03 0.10 0.19 0.25 0.08 0.27 0.36 -0.05 0.10 0.16 0.07 -0.02 -0.10 -0.03 -0.02 -0.08 0.01 -0.00 -0.08 -0.05 -0.02 -0.04 0.06 -0.12 -0.04 0.11 -0.00 -0.09 0.03 -0.03 -0.05 0.02 -0.02 -0.08 -0.00 -0.05 -0.06 0.01 0.06 -0.03 -0.05 0.05 -0.00 -0.04 0.09 -0.03 -0.07 0.01 -0.02 -0.02 0.03 -0.02 -0.03 0.00 -0.10 -0.07 -0.03 0.03 -0.02 -0.04 -0.11 0.01 -0.09 -0.07 -0.06 0.11 -0.09 0.18 0.03 0.00 0.16 0.06 -0.00 0.01 0.07 0.01 -0.01 -0.12 0.02 0.01 -0.12 0.03 0.07 0.06 -0.02 0.04 -0.11 0.01 0.03 0.08 -0.07 0.12 0.11 -0.06 0.05 -0.08 -0.04 0.13 -0.11 -0.13 0.18 -0.14 0.06 -0.14 -0.17 0.07 -0.15 -0.16 0.04 -0.08 0.00 -0.05 -0.08 -0.02 -0.05 -0.08 0.01 -0.04 -0.07 0.14 -0.02 -0.09 0.14 -0.01 -0.11 0.06 0.02 -0.11 0.25 0.09 0.15 0.38 0.20 -0.01 0.13 0.07 0.08 0.04 0.05 0.01 0.02 0.04 -0.02 -0.00 0.04 0.01 -0.02 0.02 -0.06 -0.08 0.04 -0.07 -0.00 -0.02 -0.08 0.05 0.01 -0.04 0.04 0.03 -0.01 0.07 0.04 -0.03 0.00 -0.03 -0.03 0.03 -0.02 -0.02 0.01 -0.03 -0.02 -0.18 0.02 0.06 -0.14 0.00 0.04 -0.13 -0.07 -0.04 -0.09 -0.00 0.11 -0.11 -0.02 -0.07 -0.00 -0.06 0.03 -0.11 -0.04 -0.20 0.07 0.00 0.02 -0.08 -0.11 0.15 -0.08 -0.13 0.08 0.03 0.05 0.07 0.05 0.06 0.15 -0.09 -0.07 0.08 0.03 0.06 0.09 -0.08 -0.01 -0.08 -0.10 -0.03 -0.08 0.04 0.02 0.10 0.03 0.07 0.11 -0.01 -0.01 -0.01 -0.03 0.03 -0.05 0.03 0.04 -0.00 -0.01 -0.05 -0.07 -0.03 -0.06 -0.02 0.02 -0.04 0.06 -0.12 -0.07 -0.05 -0.12 -0.10 -0.02 -0.09 -0.05 -0.04 0.15 -0.01 -0.11 0.19 -0.01 -0.15 0.11 0.01 -0.15 -0.08 0.16 -0.07 -0.06 0.13 -0.10 -0.04 0.12 -0.01 0.09 0.02 -0.19 0.09 0.03 -0.23 0.08 -0.01 -0.18 -0.08 -0.08 -0.03 -0.07 0.01 -0.06 -0.12 -0.09 -0.04 0.04 0.05 0.23 -0.00 -0.00 0.21 0.05 0.05 0.26 0.11 0.11 0.03 0.11 0.08 0.11 -0.00 -0.03 0.05 0.05 0.07 -0.01 0.00 -0.07 0.03 0.01 0.11 -0.11 -0.05 0.04 0.08 0.18 -0.04 0.22 0.02 0.02 0.02 0.02 0.00 -0.03 0.06 -0.01 -0.21 -0.01 -0.01 -0.24 0.00 0.03 0.05 0.11 -0.04 -0.05 -0.04 0.03 0.09 -0.05 0.01 0.08 0.23 -0.03 0.23 0.09 0.01 0.34 0.02 -0.00 0.07 0.03 0.01 0.06 0.01 -0.01 0.08 -0.05 0.10 -0.08 -0.03 0.10 -0.08 -0.05 0.07 -0.05 -0.07 -0.02 0.06 -0.06 -0.01 0.02 -0.07 -0.05 0.06 0.00 -0.14 0.15 0.02 -0.26 0.17 -0.03 -0.08 0.10 -0.01 -0.07 -0.17 -0.02 -0.04 -0.13 0.00 -0.04 -0.20 -0.09 0.05 -0.03 -0.07 0.04 -0.02 -0.06 0.07 -0.06 -0.02 -0.02 -0.11 -0.00 -0.04 -0.14 -0.04 -0.04 -0.13 -0.06 0.03 0.00 -0.03 0.03 0.01 -0.09 0.02 0.00 -0.01 -0.03 0.08 -0.03 -0.01 0.05 0.08 0.10 -0.16 -0.01 -0.01 0.08 0.02 0.08 -0.06 -0.04 0.14 0.05 -0.02 -0.13 -0.09 0.03 -0.13 -0.05 -0.14 -0.02 -0.02 -0.12 0.02 -0.01 -0.07 0.00 -0.05 -0.15 0.01 -0.08 -0.11 -0.04 -0.04 -0.08 -0.08 -0.10 -0.02 -0.10 -0.04 -0.00 -0.07 0.02 -0.08 -0.20 -0.19 -0.00 -0.39 -0.22 0.06 -0.08 0.09 0.10 -0.08 0.08 0.06 -0.09 0.07 0.01 0.14 0.04 0.00 0.14 0.03 0.01 0.13 0.06 0.04 -0.00 0.10 -0.00 0.05 0.06 0.04 -0.05 0.11 0.22 0.02 0.13 0.29 0.16 -0.00 0.15 0.01 0.08 -0.05 0.03 -0.08 -0.01 0.03 -0.06 -0.06 0.03 -0.07 0.08 0.05 -0.01 0.10 0.03 0.03 0.08 0.09 -0.00 -0.06 0.10 -0.03 -0.05 0.08 -0.05 -0.08 0.06 -0.04 -0.03 0.01 0.01 -0.08 0.00 -0.01 -0.08 -0.02 -0.03 0.08 -0.08 0.01 0.05 -0.06 0.01 -0.01 0.12 0.02 0.06 -0.07 -0.00 -0.01 0.09 0.03 -0.01 -0.06 -0.08 0.10 0.02 -0.13 -0.13 0.02 0.01 0.06 0.10 0.09 0.06 0.08 0.02 -0.10 -0.01 0.01 -0.11 -0.01 -0.01 0.05 0.11 0.08 -0.10 -0.02 -0.01 0.14 0.06 0.04 0.12 0.02 0.02 -0.13 0.00 -0.05 -0.10 -0.05 -0.07 0.05 -0.18 -0.04 0.01 -0.12 -0.08 0.13 -0.11 -0.00 -0.00 -0.04 -0.16 -0.03 -0.05 -0.13 0.01 -0.01 -0.09 0.08 -0.06 0.01 0.08 -0.02 -0.07 0.05 -0.14 0.00 -0.11 0.06 0.09 -0.09 0.09 0.07 -0.12 0.04 0.09 -0.09 -0.02 0.01 -0.11 -0.01 0.01 -0.07 -0.01 0.01 -0.21 0.02 0.03 -0.27 0.03 0.02 -0.15 -0.02 -0.06 -0.04 0.00 -0.11 -0.05 -0.01 -0.08 -0.02 0.03 -0.10 0.07 0.12 0.09 0.06 0.13 0.09 0.05 0.11 0.07 0.28 0.02 0.09 0.25 0.04 0.07 -0.02 -0.02 -0.05 0.25 0.03 0.08 0.01 -0.10 -0.09 0.08 -0.07 -0.02 -0.05 0.10 0.01 0.03 -0.11 0.00 0.06 -0.08 0.06 0.05 -0.10 0.06 0.08 0.04 0.05 0.03 0.08 0.19 0.04 -0.06 0.03 0.06 -0.06 -0.02 -0.06 0.06 -0.07 -0.07 0.06 -0.06 0.04 -0.16 -0.19 0.14 -0.30 -0.25 0.00 0.07 0.00 -0.01 0.03 0.04 -0.00 0.06 -0.02 -0.05 -0.08 -0.07 -0.01 -0.08 -0.02 -0.05 -0.11 -0.04 -0.09 0.05 -0.03 -0.05 -0.01 0.03 -0.05 0.08 -0.03 -0.04 -0.05 0.23 -0.03 -0.03 0.20 -0.05 0.01 0.19 0.13 0.13 -0.01 0.03 0.15 -0.02 0.14 0.14 -0.02 -0.16 0.20 0.00 -0.21 0.24 -0.10 -0.12 0.09 -0.06 0.08 -0.06 0.07 0.09 -0.01 0.06 0.06 -0.03 0.07 -0.02 -0.06 0.05 0.02 -0.08 0.06 0.01 -0.04 0.09 -0.04 0.03 -0.08 -0.04 0.02 -0.03 0.05 -0.04 0.01 -0.07 0.02 -0.11 0.05 -0.04 0.00 -0.05 -0.07 0.25 0.07 -0.05 -0.08 0.05 0.03 0.02 -0.14 0.06 0.06 -0.11 0.11 0.11 0.15 -0.23 0.01 0.26 -0.24 0.04 -0.07 0.01 0.01 0.13 -0.12 -0.00 0.05 -0.01 -0.07 0.09 0.03 -0.05 0.09 0.04 -0.00 0.09 0.05 -0.00 -0.03 0.02 -0.06 -0.02 0.02 -0.06 -0.01 0.03 -0.07 -0.10 -0.02 -0.11 -0.09 -0.04 0.03 -0.09 -0.02 -0.05 0.13 0.11 -0.01 0.09 0.16 -0.03 0.11 0.09 -0.02 0.04 0.03 0.03 0.10 0.05 -0.04 -0.03 0.00 -0.00 0.05 -0.13 -0.11 0.02 -0.14 -0.14 0.04 -0.15 -0.09 -0.12 -0.05 -0.07 -0.14 -0.07 -0.01 -0.10 -0.03 -0.08 -0.02 0.17 0.09 0.01 0.02 0.03 -0.05 0.21 0.09 -0.08 0.05 0.05 -0.09 0.05 0.05 -0.07 0.05 0.05 0.01 0.05 -0.06 -0.01 0.05 -0.02 -0.03 -0.14 0.19 0.01 0.02 -0.06 -0.03 -0.08 0.18 -0.18 0.01 -0.07 0.03 0.04 -0.14 -0.05 0.02 0.09 0.03 -0.12 0.01 0.04 -0.09 0.03 -0.14 0.03 -0.13 -0.17 0.03 -0.12 0.06 -0.11 -0.06 -0.12 0.02 -0.05 0.03 0.00 -0.21 0.04 0.03 -0.10 -0.06 0.04 0.15 -0.17 0.07 0.24 -0.11 -0.16 0.07 -0.14 -0.21 0.12 -0.03 -0.10 -0.02 -0.05 0.01 0.07 -0.10 0.01 0.02 -0.05 0.04 0.07 0.04 0.07 0.11 0.06 0.06 0.09 0.03 0.02 0.11 -0.02 -0.01 -0.01 -0.03 -0.03 -0.00 -0.02 0.02 -0.03 0.23 -0.01 0.01 0.18 -0.00 -0.01 0.10 -0.00 -0.05 0.02 0.04 -0.02 0.02 0.05 -0.05 -0.00 0.01 0.01 0.15 0.02 0.11 0.15 0.02 0.12 0.16 0.00 0.11 -0.03 0.03 0.06 -0.01 -0.03 0.05 -0.06 0.03 0.11 0.10 0.05 -0.16 0.10 0.03 -0.09 -0.13 0.02 -0.10 0.04 0.03 -0.20 -0.16 -0.04 -0.05 0.11 0.11 0.01 -0.11 0.11 0.10 -0.07 0.02 0.00 0.07 -0.07 0.15 0.07 -0.09 0.04 -0.08 -0.05 0.06 -0.10 -0.07 -0.09 0.02 -0.03 0.14 -0.09 -0.02 0.04 -0.13 0.11 0.03 -0.11 0.12 0.00 -0.13 0.02 0.05 -0.12 0.02 0.04 0.17 0.01 -0.04 0.20 -0.01 -0.02 0.10 -0.04 -0.03 -0.05 0.10 -0.14 0.02 0.10 -0.11 -0.05 0.02 -0.06 -0.10 0.19 -0.04 -0.06 0.17 -0.06 -0.04 0.11 -0.03 0.08 0.07 -0.05 0.16 0.11 -0.15 -0.01 -0.01 -0.07 0.07 -0.07 0.11 0.04 -0.10 0.04 0.02 -0.10 0.13 -0.07 -0.15 -0.06 -0.03 -0.18 -0.00 -0.06 -0.07 -0.06 0.11 0.05 -0.09 0.08 -0.01 -0.02 0.18 0.04 -0.07 -0.07 -0.15 0.06 -0.02 -0.13 0.08 -0.12 -0.18 0.04 0.02 -0.15 -0.02 -0.01 -0.14 0.01 0.07 0.10 0.02 -0.05 -0.13 -0.06 0.12 0.10 -0.05 -0.09 -0.00 0.09 0.01 0.12 0.04 -0.04 0.01 0.04 0.02 0.10 0.13 0.01 0.08 0.13 -0.02 -0.08 -0.04 0.04 -0.07 0.08 0.00 0.11 0.15 -0.01 -0.06 -0.02 0.01 0.14 0.08 -0.00 0.11 -0.01 -0.02 0.02 0.03 -0.05 0.03 0.06 0.01 -0.16 -0.20 0.02 -0.14 -0.22 -0.01 -0.17 -0.16 0.05 0.01 0.16 0.05 0.02 0.14 0.04 -0.00 0.12 -0.05 0.05 -0.15 -0.02 0.02 -0.15 -0.03 -0.01 -0.14 -0.06 -0.00 0.01 -0.13 -0.02 0.09 0.04 0.08 0.02 0.00 0.05 -0.17 0.05 0.06 -0.13 -0.00 0.05 -0.18 0.14 0.20 0.05 0.10 0.20 0.06 0.11 0.16 0.08 -0.05 -0.00 0.02 -0.02 0.01 -0.04 -0.11 0.06 0.02 0.03 -0.17 0.01 0.03 -0.08 0.02 0.01 -0.19 -0.08 0.03 -0.16 -0.02 0.06 -0.17 -0.02 -0.08 -0.07 0.04 0.01 -0.12 -0.01 -0.05 -0.05 -0.01 0.04 -0.04 0.00 -0.09 -0.16 0.02 -0.14 0.05 0.03 -0.09 -0.13 -0.03 -0.08 -0.11 -0.04 -0.05 -0.15 -0.00 0.01 -0.15 0.04 -0.08 -0.12 -0.06 -0.05 -0.09 0.00 -0.12 -0.14 -0.02 -0.08 -0.09 0.03 -0.10 0.06 0.04 -0.12 0.10 0.05 -0.03 0.08 0.07 -0.03 0.07 0.08 -0.05 0.06 0.07 0.22 0.02 -0.12 0.22 0.01 -0.07 0.23 -0.01 -0.05 0.02 0.07 0.08 -0.01 0.12 0.03 -0.01 0.05 0.07 -0.13 0.04 0.01 -0.22 0.03 0.10 -0.03 0.09 0.04 0.02 -0.02 -0.11 0.06 -0.02 -0.09 -0.00 -0.03 -0.11 0.02 0.14 0.08 -0.04 0.14 0.10 0.07 0.11 0.00 0.04 0.11 -0.12 0.04 0.07 -0.13 0.04 0.07 -0.13 0.23 -0.10 0.06 0.13 -0.10 0.03 0.24 -0.10 0.03 -0.05 0.06 0.06 0.02 0.00 0.10 0.00 -0.09 -0.00 -0.07 0.04 0.05 -0.00 0.03 0.01 -0.17 -0.03 -0.00 -0.04 -0.08 -0.00 0.16 -0.03 -0.06 -0.07 -0.04 0.05 -0.06 -0.02 0.00 0.11 0.23 -0.03 0.06 0.24 -0.03 -0.07 -0.03 0.04 0.11 0.16 -0.03 -0.07 -0.03 -0.00 -0.03 0.02 -0.00 0.20 -0.03 -0.08 0.21 -0.02 -0.09 -0.13 -0.15 -0.11 -0.16 -0.13 -0.12 -0.10 -0.12 -0.09 0.08 0.02 -0.05 0.03 0.02 -0.08 0.09 0.04 0.00 0.04 0.15 -0.02 0.04 0.20 -0.13 -0.02 0.04 -0.03 -0.03 -0.09 0.03 -0.06 -0.13 0.07 -0.01 -0.13 0.06 -0.07 -0.00 0.18 -0.06 0.02 0.22 -0.00 0.05 0.15 -0.00 -0.11 0.09 0.06 -0.10 0.02 0.03 -0.09 0.04 0.03 0.15 -0.12 -0.01 0.08 -0.04 0.11 0.16 -0.10 0.08 -0.06 0.07 0.02 -0.05 0.05 0.05 -0.08 0.02 -0.01 -0.02 0.02 0.05 -0.05 0.05 -0.09 0.03 -0.02 -0.02 -0.02 0.01 -0.13 -0.09 0.02 0.02 -0.05 -0.02 -0.21 -0.17 0.09 -0.01 0.00 0.01 -0.06 -0.06 -0.23 -0.06 -0.05 -0.16 0.00 -0.04 0.01 0.03 -0.03 0.05 -0.07 -0.07 -0.15 0.00 -0.03 -0.00 -0.23 -0.11 0.13 -0.19 -0.08 0.06 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.06 -0.08 -0.15 -0.05 -0.04 -0.17 0.08 -0.04 -0.03 -0.06 -0.06 0.07 -0.09 -0.06 0.05 -0.06 0.01 0.01 -0.09 0.13 -0.11 -0.06 0.10 -0.09 -0.04 0.09 -0.10 0.01 0.01 0.01 0.01 0.01 0.00 0.00 0.02 -0.00 0.16 0.00 0.01 0.12 0.00 -0.01 0.10 -0.00 -0.01 0.01 0.04 -0.01 -0.00 0.05 -0.04 -0.01 -0.01 0.02 0.08 0.03 0.08 0.06 0.01 0.10 0.11 0.02 0.09 -0.04 0.23 -0.05 -0.07 0.15 -0.07 -0.07 0.23 -0.02 0.16 -0.03 0.25 0.08 0.04 0.17 -0.00 -0.06 -0.01 0.10 0.02 0.23 0.04 -0.09 -0.08 -0.08 0.14 0.08 -0.02 0.01 0.03 0.02 0.00 -0.00 -0.06 0.05 -0.06 -0.09 0.04 0.16 -0.04 0.08 -0.09 -0.10 0.07 -0.18 -0.04 0.03 -0.06 -0.03 0.05 -0.07 -0.01 -0.01 0.04 -0.03 -0.03 -0.00 0.01 0.01 0.00 -0.03 0.01 0.04 0.01 0.00 -0.03 0.06 0.02 -0.05 -0.01 -0.02 -0.03 0.12 0.11 -0.23 0.06 0.06 -0.03 0.14 0.13 -0.13 -0.06 -0.09 -0.08 -0.06 -0.15 0.05 -0.00 -0.00 -0.07 -0.00 -0.01 -0.01 0.01 -0.02 -0.03 -0.03 -0.03 -0.02 0.08 -0.02 0.04 -0.04 -0.01 -0.01 0.02 -0.00 -0.00 -0.10 -0.04 -0.05 -0.07 -0.06 -0.02 -0.03 0.02 -0.14 -0.08 -0.11 0.36 -0.05 -0.11 0.31 -0.12 0.04 0.37 0.19 -0.09 -0.03 0.15 -0.07 -0.03 0.14 -0.12 -0.08 0.02 -0.02 0.04 0.08 -0.05 0.03 -0.05 0.12 0.05 0.02 -0.00 0.04 -0.06 0.10 0.05 0.00 0.01 0.00 0.15 0.31 0.86 -0.00 -0.00 -0.00 -0.02 -0.08 -0.08 0.01 -0.03 -0.01 0.00 -0.00 0.01 0.00 0.00 0.01 0.05 -0.14 -0.12 0.00 -0.00 0.01 0.01 0.02 0.09 0.03 0.04 0.08 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.03 -0.00 0.02 -0.01 -0.03 -0.02 0.01 0.02 -0.01 0.01 0.01 -0.02 0.00 0.03 0.02 0.03 0.01 0.04 0.03 -0.01 -0.00 0.02 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.06 0.01 -0.03 -0.05 0.01 -0.03 -0.03 0.01 -0.02 -0.02 -0.01 -0.01 -0.02 -0.02 0.01 -0.02 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.01 0.00 -0.02 0.03 0.02 0.02 -0.02 0.04 0.00 -0.06 0.03 0.01 -0.02 0.05 0.05 0.06 -0.08 0.05 0.04 -0.01 0.00 0.01 0.00 -0.06 0.06 -0.15 0.01 0.00 -0.00 -0.07 0.01 0.12 -0.07 -0.20 -0.37 0.01 0.00 0.01 0.22 -0.06 -0.04 0.18 -0.14 -0.08 -0.05 0.09 -0.12 -0.10 0.08 -0.18 0.12 0.01 0.02 -0.03 0.06 -0.08 -0.03 -0.04 -0.05 0.01 0.00 -0.02 -0.01 -0.00 0.00 -0.05 -0.02 0.04 0.08 0.12 -0.00 0.13 0.16 -0.04 0.05 0.11 0.03 -0.05 -0.15 0.11 -0.06 -0.16 0.10 -0.05 -0.12 0.06 0.06 0.17 0.04 0.06 0.18 0.05 0.09 0.14 0.05 -0.00 -0.01 0.01 0.03 -0.02 -0.02 -0.04 -0.02 -0.01 -0.20 0.04 -0.12 -0.16 0.05 -0.10 -0.13 0.05 -0.10 -0.08 -0.06 -0.05 -0.13 -0.05 -0.03 -0.09 -0.10 -0.04 -0.00 0.00 0.06 0.00 0.02 0.07 0.02 -0.06 0.05 0.08 -0.08 -0.02 0.12 -0.08 0.00 0.13 -0.06 0.01 0.06 -0.02 0.07 0.05 -0.01 0.06 -0.03 -0.01 0.08 0.07 -0.03 0.08 -0.07 0.00 0.09 0.05 0.03 -0.14 -0.04 -0.14 -0.23 0.00 -0.01 -0.01 0.18 -0.07 0.00 0.15 -0.13 0.02 0.06 -0.10 0.14 0.14 -0.08 0.30 0.12 -0.02 0.02 0.04 -0.07 0.12 -0.02 -0.04 -0.06 0.01 -0.00 -0.02 0.02 -0.00 -0.01 0.09 0.02 -0.07 -0.08 -0.14 -0.06 -0.19 -0.22 0.03 -0.08 -0.14 -0.06 0.02 0.18 -0.06 0.01 0.18 -0.04 0.02 0.18 -0.06 0.03 0.12 0.06 0.05 0.12 0.01 0.02 0.04 0.06 0.01 0.01 -0.02 -0.00 0.02 -0.01 0.03 0.01 -0.01 -0.18 -0.00 -0.07 -0.13 -0.01 -0.06 -0.08 -0.02 -0.02 0.02 0.01 0.02 0.03 -0.03 0.15 0.04 0.10 0.01 -0.01 -0.06 0.16 0.02 -0.06 0.13 -0.06 0.16 0.19 -0.01 0.10 -0.00 0.08 0.01 0.01 -0.07 0.10 0.11 -0.10 -0.02 0.01 -0.09 -0.02 -0.02 -0.00 0.05 -0.10 -0.03 -0.03 0.04 0.06 0.03 -0.13 -0.02 0.08 -0.11 -0.04 -0.05 -0.29 -0.02 0.01 0.01 -0.03 0.07 -0.10 -0.05 0.04 -0.03 0.04 -0.10 0.13 0.13 -0.09 0.28 -0.04 0.07 -0.06 0.03 -0.08 0.09 0.02 0.02 -0.02 -0.01 -0.00 -0.02 0.03 0.02 -0.02 0.08 0.03 -0.06 -0.08 -0.01 0.00 -0.13 -0.01 0.01 -0.07 0.01 0.02 -0.14 0.11 0.20 -0.08 0.15 0.02 -0.16 0.03 0.19 -0.01 -0.05 -0.00 -0.01 -0.04 -0.02 -0.04 -0.04 -0.01 -0.01 0.01 0.04 0.10 0.04 -0.08 -0.14 -0.04 -0.00 0.09 0.09 -0.03 0.02 0.05 -0.14 0.08 0.04 0.04 -0.13 -0.13 -0.11 -0.07 -0.16 -0.05 -0.18 -0.07 -0.06 0.01 0.03 -0.06 0.02 0.04 -0.08 -0.01 0.04 -0.06 0.19 -0.17 0.04 0.09 -0.10 0.03 0.28 -0.16 -0.05 0.03 0.04 0.07 0.11 -0.00 0.07 -0.05 0.08 -0.10 0.05 0.05 0.09 -0.02 0.08 -0.10 -0.14 -0.03 -0.09 -0.01 -0.01 0.02 0.09 -0.09 -0.03 0.04 -0.02 0.01 0.04 -0.02 0.01 -0.00 -0.07 0.06 0.08 -0.03 0.31 0.04 -0.02 0.03 -0.01 -0.07 0.06 -0.01 -0.01 0.01 -0.01 -0.02 -0.02 0.09 -0.07 0.01 0.08 -0.02 0.01 -0.07 0.14 0.10 -0.10 0.16 0.09 -0.03 0.21 0.11 -0.02 0.05 -0.05 -0.02 0.05 -0.05 -0.02 0.03 -0.08 0.01 -0.01 -0.08 -0.01 -0.02 -0.03 -0.00 0.09 -0.09 0.05 0.03 -0.12 0.02 0.02 -0.08 0.09 0.04 -0.11 -0.04 -0.06 0.05 -0.02 -0.03 0.10 -0.03 -0.03 0.02 -0.00 0.12 0.10 -0.08 0.13 0.12 0.02 0.08 0.07 -0.00 0.03 0.03 -0.01 0.00 0.03 0.00 0.07 0.03 -0.11 -0.15 -0.08 -0.05 -0.09 -0.04 -0.33 -0.27 -0.22 0.24 0.03 0.06 0.19 0.06 0.10 -0.15 -0.03 -0.09 0.11 0.06 -0.01 -0.18 0.02 -0.04 -0.03 -0.02 -0.02 0.01 -0.03 0.08 -0.15 0.18 0.04 0.05 -0.02 0.03 0.06 -0.01 0.01 0.03 0.02 0.02 0.12 0.02 0.08 0.06 -0.02 0.04 0.02 0.09 -0.00 -0.01 -0.03 0.01 -0.00 -0.03 -0.05 -0.09 0.15 -0.05 -0.03 0.11 -0.10 -0.04 0.03 0.12 -0.17 -0.13 0.28 -0.02 0.05 0.07 0.03 0.02 -0.04 0.00 0.02 -0.03 0.03 0.04 -0.05 -0.01 -0.01 -0.15 -0.03 -0.05 -0.04 0.02 0.12 -0.16 -0.09 -0.06 0.25 -0.07 0.00 0.21 -0.10 -0.05 0.25 -0.02 -0.00 -0.05 0.04 -0.02 -0.04 -0.02 -0.02 -0.04 0.17 -0.13 -0.13 0.40 -0.13 -0.25 0.12 -0.03 -0.05 -0.00 0.06 0.04 0.02 0.06 0.00 -0.03 0.05 0.03 -0.07 -0.02 -0.04 -0.02 -0.01 -0.02 -0.18 -0.07 -0.08 0.08 -0.00 0.00 0.06 0.01 0.02 -0.02 -0.00 -0.01 0.02 0.01 -0.03 -0.04 -0.02 0.01 -0.08 -0.00 -0.05 -0.03 0.07 -0.02 -0.04 0.06 0.01 -0.05 0.00 0.00 -0.06 -0.01 0.03 0.02 0.01 0.05 0.12 0.05 0.29 -0.05 0.00 -0.01 0.01 0.03 0.03 -0.01 0.03 -0.02 -0.03 0.04 0.08 -0.02 0.05 -0.02 0.01 0.04 -0.04 0.04 0.07 -0.16 0.30 0.42 -0.49 0.03 0.08 -0.04 0.01 0.00 -0.03 -0.01 -0.00 -0.03 0.01 0.01 -0.03 0.02 0.00 0.22 0.05 0.05 0.07 -0.03 -0.16 0.23 -0.02 -0.02 0.07 -0.02 0.01 0.06 -0.03 -0.01 0.07 0.01 -0.05 -0.00 0.02 -0.03 0.03 0.02 -0.03 -0.03 0.07 -0.01 -0.04 0.17 0.01 -0.15 0.05 0.00 -0.02 0.00 -0.09 -0.00 0.00 -0.09 -0.01 -0.01 -0.01 0.01 -0.04 -0.03 -0.02 -0.03 -0.01 -0.02 -0.09 -0.06 -0.06 0.04 0.00 0.02 0.03 0.02 0.02 -0.11 -0.01 -0.05 0.04 -0.00 0.01 -0.11 0.04 -0.05 -0.02 -0.01 0.00 0.22 0.14 -0.24 -0.03 0.00 0.00 -0.15 -0.10 -0.13 -0.15 -0.05 -0.02 0.03 0.09 0.03 0.07 0.12 0.23 -0.09 -0.16 -0.18 0.04 0.07 0.03 0.28 0.14 -0.06 0.26 0.09 -0.07 -0.06 -0.00 0.02 -0.02 -0.02 -0.01 -0.01 0.03 0.09 -0.08 -0.06 0.18 -0.05 0.00 0.09 -0.02 0.01 -0.02 -0.02 0.01 -0.01 -0.02 -0.01 0.02 -0.06 0.18 -0.08 0.04 0.11 -0.07 -0.01 0.13 -0.08 0.01 -0.02 -0.00 0.02 0.00 -0.02 0.00 -0.00 -0.01 -0.02 -0.14 -0.02 -0.01 -0.09 0.07 0.01 -0.08 -0.09 0.02 0.07 -0.02 0.09 0.10 -0.16 0.02 0.04 -0.02 0.02 -0.14 -0.03 0.02 -0.16 -0.03 0.01 -0.01 -0.01 0.02 0.00 0.07 -0.05 -0.07 0.03 0.07 0.03 0.12 -0.05 -0.12 0.16 -0.05 -0.09 0.04 -0.02 0.01 0.01 0.06 -0.08 0.25 -0.03 -0.00 0.02 0.09 0.02 0.04 -0.06 -0.11 -0.11 -0.02 0.02 0.01 0.06 0.04 -0.04 0.04 0.00 -0.03 0.02 0.01 -0.02 -0.06 -0.04 -0.32 0.02 0.07 0.01 0.02 0.03 -0.02 -0.05 -0.03 0.02 -0.04 -0.02 0.01 -0.03 0.01 -0.00 -0.01 -0.01 -0.01 -0.04 -0.06 -0.03 -0.13 -0.10 0.02 -0.01 -0.03 -0.03 -0.11 0.02 0.01 -0.04 0.02 0.01 -0.12 -0.04 0.02 0.03 -0.01 0.02 0.01 0.02 -0.01 -0.00 -0.02 0.02 0.01 -0.02 0.01 0.06 -0.02 -0.04 -0.05 0.00 -0.03 -0.05 -0.18 0.14 0.02 -0.16 0.24 -0.05 -0.13 0.08 0.04 0.18 -0.11 0.27 0.28 -0.54 0.01 0.10 -0.07 -0.03 0.01 -0.01 -0.05 -0.05 0.03 0.02 0.04 0.01 0.05 -0.09 0.02 0.04 -0.05 0.03 0.10 -0.07 -0.00 0.00 0.09 -0.01 0.04 0.06 0.03 0.11 0.03 0.04 0.01 0.07 -0.02 0.12 -0.02 0.03 0.03 0.00 0.02 -0.06 -0.10 0.02 -0.04 -0.05 -0.00 0.01 0.06 0.04 0.01 0.05 0.04 0.08 0.23 0.08 0.15 0.33 0.62 0.00 0.07 0.06 0.10 0.15 0.07 -0.08 -0.06 0.03 -0.05 -0.03 0.01 -0.14 -0.05 0.06 -0.06 -0.07 -0.01 -0.01 -0.03 0.01 -0.03 -0.05 0.04 0.01 -0.01 -0.01 -0.01 0.01 0.02 0.00 0.02 0.01 -0.02 0.00 0.00 0.02 -0.02 -0.01 0.00 -0.01 -0.03 -0.00 -0.01 -0.02 0.03 -0.01 -0.05 0.04 0.01 -0.07 0.02 -0.02 -0.05 0.07 -0.16 -0.18 0.02 -0.09 -0.08 0.06 -0.08 -0.30 -0.06 -0.02 0.05 -0.11 -0.03 0.13 -0.04 -0.01 0.03 0.02 0.00 -0.01 0.06 -0.08 -0.09 -0.05 0.06 -0.02 0.01 -0.01 -0.03 0.02 0.03 -0.02 0.02 -0.01 -0.06 0.01 0.05 -0.05 0.02 0.03 -0.01 0.02 0.03 0.04 -0.01 0.04 -0.07 0.04 -0.01 0.03 0.15 -0.02 0.06 -0.00 -0.16 -0.30 -0.01 0.01 0.01 -0.08 -0.01 0.01 -0.09 -0.02 0.01 0.01 0.02 -0.05 -0.10 -0.03 -0.38 -0.09 -0.00 0.04 0.01 0.02 -0.05 0.04 0.01 0.05 0.06 0.03 0.03 -0.04 -0.00 0.01 -0.06 -0.03 0.03 -0.10 -0.04 -0.05 -0.33 -0.12 0.05 -0.04 0.03 -0.02 0.01 0.03 -0.02 0.06 0.04 0.01 0.01 -0.01 -0.05 0.01 0.08 0.05 0.06 0.06 0.02 -0.02 0.05 0.04 -0.00 -0.00 0.01 -0.04 -0.03 0.05 0.03 0.00 0.02 0.01 0.09 -0.03 -0.02 0.07 -0.11 0.03 0.05 0.03 0.01 -0.06 0.04 -0.08 -0.12 0.28 0.02 0.01 0.05 0.02 -0.12 -0.01 0.01 -0.06 -0.01 0.01 -0.09 -0.01 -0.09 -0.11 -0.07 -0.08 -0.05 -0.06 -0.24 -0.19 -0.19 0.07 0.14 0.04 0.10 0.13 0.05 0.15 -0.02 0.07 0.10 0.12 0.05 0.18 -0.04 0.03 0.10 -0.04 0.04 -0.05 0.42 0.02 -0.01 -0.00 0.00 0.09 -0.11 -0.13 0.11 -0.07 -0.08 0.03 0.07 -0.03 -0.02 0.05 -0.13 0.11 -0.13 -0.15 0.03 0.06 -0.02 0.03 0.15 -0.13 -0.12 0.02 -0.04 -0.05 -0.01 0.02 -0.04 -0.04 0.01 -0.05 -0.02 -0.09 -0.05 0.14 -0.22 -0.05 0.01 0.04 -0.02 0.03 -0.04 0.02 0.03 -0.00 -0.02 -0.02 -0.01 -0.04 -0.21 0.04 -0.11 -0.16 0.05 -0.04 -0.17 0.04 0.01 -0.01 -0.01 -0.03 -0.03 0.04 0.05 0.00 0.01 -0.00 -0.00 -0.05 0.03 -0.01 -0.04 -0.03 -0.01 -0.06 0.02 -0.02 0.06 -0.05 -0.06 0.21 0.03 0.02 0.06 -0.00 0.26 0.06 0.02 0.20 0.02 -0.02 0.13 0.03 -0.07 -0.07 0.07 -0.03 -0.12 0.09 -0.16 -0.10 0.09 -0.02 -0.02 0.16 -0.02 -0.01 0.14 0.09 -0.04 0.06 -0.03 -0.00 0.16 0.10 -0.03 0.04 -0.03 -0.00 -0.01 -0.16 -0.26 -0.77 0.01 -0.00 -0.00 -0.02 -0.10 -0.08 -0.04 -0.14 -0.08 -0.01 -0.00 0.00 0.03 0.02 0.14 -0.10 -0.07 0.07 -0.01 -0.00 0.01 0.01 0.10 0.21 -0.04 0.02 0.06 0.01 0.00 -0.00 0.01 0.01 -0.00 0.04 -0.00 0.01 0.10 -0.05 0.04 0.05 -0.01 -0.08 0.00 -0.01 -0.02 -0.00 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.04 -0.00 -0.01 -0.04 0.03 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.02 0.00 0.02 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.02 -0.00 -0.03 0.01 -0.00 0.01 0.00 -0.00 0.02 0.02 -0.01 0.01 0.01 0.06 0.02 0.01 0.05 0.03 0.03 -0.02 0.01 -0.01 -0.00 0.04 -0.05 -0.11 0.01 0.05 0.05 0.16 -0.01 0.03 -0.12 0.01 0.04 -0.18 -0.04 -0.01 -0.02 0.13 0.04 -0.04 -0.04 -0.00 -0.02 -0.00 -0.02 0.01 -0.24 0.25 -0.01 0.00 0.01 0.00 -0.06 0.03 -0.05 -0.11 -0.05 -0.04 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.13 0.10 -0.05 -0.01 -0.00 -0.01 -0.23 0.20 -0.06 -0.27 0.20 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 0.04 0.03 -0.32 -0.24 0.32 -0.06 0.00 0.07 -0.01 0.02 -0.02 -0.01 0.01 0.00 -0.00 0.02 0.02 0.33 -0.07 -0.02 0.23 0.00 0.01 0.22 0.11 -0.05 -0.00 -0.00 0.00 -0.02 -0.01 0.02 0.02 0.01 0.01 -0.02 0.01 -0.00 -0.03 0.01 -0.00 0.00 0.01 0.01 0.01 -0.00 0.01 -0.00 -0.01 0.05 0.02 0.01 0.00 0.03 -0.14 -0.02 0.02 -0.09 0.01 0.06 -0.14 -0.01 0.00 0.02 0.06 -0.03 0.01 0.05 0.00 0.02 0.05 0.00 -0.10 0.04 -0.01 -0.09 0.03 -0.01 -0.04 0.00 -0.12 -0.02 -0.01 0.01 -0.04 -0.04 -0.02 -0.11 -0.00 0.06 -0.21 0.03 0.02 0.02 0.02 0.08 0.22 -0.20 0.03 0.16 -0.06 -0.02 0.01 -0.03 0.02 0.03 0.07 0.03 0.22 -0.07 -0.02 0.02 -0.03 0.00 -0.12 -0.01 0.08 -0.04 -0.01 0.00 0.00 -0.01 -0.03 -0.03 0.02 0.05 0.02 0.01 0.14 0.04 -0.01 0.04 0.01 -0.03 -0.09 0.06 -0.10 -0.05 0.06 -0.04 -0.08 -0.01 0.04 -0.04 0.06 -0.00 -0.01 0.03 0.01 -0.00 0.03 0.01 -0.01 0.01 0.01 -0.13 -0.08 0.17 0.12 0.06 0.06 0.04 0.04 0.00 0.01 0.03 -0.04 0.02 0.03 0.00 0.11 -0.03 0.07 -0.09 -0.11 0.44 0.11 0.05 0.09 -0.03 -0.06 -0.02 -0.03 -0.03 -0.01 -0.01 -0.10 -0.02 -0.05 -0.08 0.26 -0.08 -0.09 0.27 -0.05 -0.09 0.24 -0.02 -0.01 -0.06 -0.03 -0.05 0.09 -0.03 -0.11 0.00 -0.05 -0.11 -0.11 -0.04 -0.08 0.01 0.04 0.05 0.04 0.02 0.04 0.05 0.11 -0.07 0.04 0.00 0.01 -0.00 0.01 0.02 -0.03 -0.16 0.03 0.03 -0.16 0.12 0.52 0.01 0.00 -0.01 -0.14 -0.11 0.07 0.02 -0.01 -0.02 0.01 -0.01 0.00 0.16 -0.07 -0.01 0.12 -0.06 0.02 0.04 -0.01 -0.05 -0.34 -0.32 0.27 0.01 -0.03 -0.03 0.01 -0.05 -0.02 0.01 -0.06 0.02 0.02 -0.04 -0.01 -0.02 -0.01 0.03 -0.04 -0.03 0.11 0.03 0.08 0.03 -0.09 0.15 0.01 -0.14 0.05 0.10 -0.06 0.10 0.07 0.01 -0.06 -0.04 0.03 -0.03 0.02 -0.03 -0.02 -0.10 0.05 -0.04 -0.05 0.14 -0.02 -0.16 0.03 -0.04 -0.02 -0.01 0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.16 -0.03 -0.02 -0.02 0.00 -0.02 0.00 0.01 -0.06 -0.04 -0.03 -0.01 0.04 0.03 0.00 0.03 0.05 -0.03 -0.01 0.05 -0.00 0.02 0.03 0.08 0.01 -0.12 -0.01 0.02 -0.01 -0.02 -0.01 -0.03 0.05 -0.04 0.05 0.00 -0.01 -0.01 -0.01 -0.02 0.04 -0.01 0.03 0.08 -0.21 -0.04 -0.36 -0.00 -0.00 -0.00 -0.02 -0.03 0.05 -0.03 0.02 -0.00 -0.02 0.03 -0.03 0.04 -0.05 0.01 0.08 -0.09 -0.02 -0.03 -0.06 0.08 0.44 0.33 -0.33 0.01 -0.03 0.05 -0.01 -0.03 -0.01 -0.00 -0.03 -0.03 -0.01 -0.03 -0.02 0.04 0.01 -0.05 0.07 0.05 -0.18 -0.02 -0.15 -0.06 -0.05 0.08 0.01 -0.13 -0.03 0.14 0.03 0.12 0.04 0.01 -0.02 -0.03 0.02 -0.06 -0.09 0.00 -0.07 0.02 0.05 -0.01 -0.05 -0.11 -0.05 0.18 0.03 -0.00 -0.01 0.01 -0.03 -0.01 0.02 -0.05 -0.02 -0.04 0.29 0.04 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.01 -0.02 0.04 0.02 -0.02 0.03 0.02 0.03 0.12 0.03 -0.03 0.04 0.01 -0.04 0.05 0.14 -0.06 0.24 -0.02 0.00 0.02 0.00 -0.09 0.09 -0.09 0.02 0.04 -0.07 0.01 0.02 -0.03 -0.01 -0.06 0.03 0.14 -0.03 0.33 0.01 0.04 -0.04 -0.02 -0.01 0.04 -0.02 0.02 -0.05 -0.00 0.03 -0.06 -0.02 0.12 -0.05 0.02 0.20 -0.09 0.10 -0.14 0.04 0.12 -0.14 0.04 0.10 -0.16 0.01 0.10 -0.19 -0.03 0.06 -0.22 -0.01 0.12 -0.14 -0.02 0.03 0.01 -0.04 0.03 0.02 -0.06 0.06 -0.06 -0.03 0.08 -0.15 -0.01 0.11 -0.01 -0.09 0.08 -0.11 -0.03 0.01 0.01 0.00 0.00 0.03 0.03 0.02 0.03 -0.02 -0.04 0.03 0.07 -0.14 0.08 -0.02 0.01 -0.10 -0.01 -0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.01 0.03 -0.01 -0.11 -0.07 0.05 -0.08 -0.04 0.08 -0.29 -0.17 -0.05 -0.09 0.17 0.08 -0.04 0.12 0.17 -0.05 0.19 -0.06 -0.07 0.09 0.06 -0.01 0.15 -0.09 0.05 -0.08 0.03 -0.00 -0.01 -0.00 -0.02 -0.04 -0.04 0.00 -0.00 -0.00 -0.01 -0.01 0.02 -0.04 -0.02 -0.10 0.10 0.08 0.47 -0.00 0.00 -0.00 -0.02 -0.04 -0.05 -0.01 0.01 -0.01 -0.00 0.02 -0.03 0.02 -0.01 0.00 -0.08 0.05 0.08 0.01 -0.06 0.06 0.34 0.23 -0.23 0.03 -0.04 0.04 0.01 0.06 0.01 0.03 0.07 0.01 -0.00 0.04 -0.01 0.02 0.01 -0.03 0.05 0.03 -0.11 0.00 -0.10 -0.04 -0.01 0.02 -0.00 0.11 0.15 -0.17 -0.13 -0.10 -0.01 -0.01 0.04 0.01 -0.02 0.09 0.09 0.01 0.11 -0.06 -0.03 -0.03 0.04 0.34 0.04 -0.39 -0.02 0.01 0.03 0.00 -0.02 0.01 -0.00 -0.01 0.02 0.00 0.13 0.03 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.05 -0.03 -0.03 -0.03 0.04 0.02 -0.01 0.03 0.03 0.02 -0.13 0.01 -0.03 0.03 0.01 0.00 -0.00 0.07 -0.05 0.10 -0.04 0.00 -0.04 -0.03 0.01 -0.16 0.06 0.02 0.04 -0.05 0.01 0.03 -0.03 0.21 -0.03 -0.04 0.17 -0.06 -0.19 0.00 0.04 -0.01 0.22 -0.02 -0.03 0.00 -0.01 0.00 0.01 -0.00 0.01 -0.10 -0.17 0.10 -0.06 -0.20 0.08 -0.02 0.01 -0.02 -0.08 -0.05 0.05 -0.03 0.01 -0.02 0.11 -0.07 0.01 0.05 -0.08 -0.01 0.13 -0.02 0.03 -0.00 0.00 0.01 -0.01 -0.01 0.04 0.00 0.04 0.01 -0.09 0.16 -0.01 -0.04 0.19 -0.07 -0.16 0.02 0.03 -0.01 0.05 0.02 0.01 0.07 0.07 0.06 0.07 0.03 -0.02 -0.04 -0.01 0.32 0.06 -0.52 -0.00 -0.08 -0.04 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.07 -0.01 -0.07 -0.00 0.07 -0.07 -0.02 0.07 -0.22 -0.07 0.03 0.01 -0.02 -0.02 0.01 -0.03 0.03 0.04 0.10 -0.09 -0.01 -0.05 -0.04 -0.02 0.04 -0.01 -0.09 -0.04 -0.03 0.01 0.08 0.07 0.05 -0.01 0.09 -0.03 -0.04 0.06 -0.01 -0.02 0.00 0.10 -0.03 -0.09 0.26 0.01 0.22 -0.01 -0.04 0.01 0.10 0.04 -0.07 0.00 0.02 -0.03 -0.01 0.01 -0.04 -0.07 -0.06 0.04 -0.05 -0.19 0.04 0.18 -0.05 0.00 0.04 -0.21 0.16 0.15 -0.10 -0.00 -0.13 0.03 -0.04 -0.12 0.03 -0.02 -0.13 0.02 -0.05 0.01 -0.01 -0.02 -0.02 -0.02 0.05 0.08 0.02 0.00 -0.03 0.06 0.00 -0.18 -0.18 0.25 0.11 0.14 0.04 -0.04 0.03 0.06 -0.04 0.02 0.05 0.00 0.04 0.07 0.09 0.00 -0.02 -0.19 -0.07 0.37 0.05 0.02 0.04 0.01 0.01 0.01 -0.01 0.02 0.05 0.06 -0.13 -0.00 0.07 -0.03 -0.09 0.06 0.03 -0.09 0.12 -0.02 -0.13 -0.08 0.13 0.06 -0.02 0.10 0.05 -0.05 -0.08 -0.08 -0.02 0.11 0.09 -0.05 -0.10 -0.08 0.07 0.12 0.03 -0.00 -0.01 0.01 0.03 0.04 0.06 0.02 -0.01 0.00 0.01 -0.03 0.01 0.01 -0.04 -0.09 0.24 0.06 0.58 0.01 -0.01 0.01 0.03 -0.01 -0.04 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.03 0.00 0.00 -0.02 -0.09 0.01 -0.13 0.00 0.01 -0.01 0.16 -0.14 -0.10 0.05 0.03 -0.04 -0.07 -0.03 0.02 -0.07 -0.00 -0.05 -0.11 -0.02 0.01 0.01 0.00 0.03 0.04 -0.08 -0.06 -0.04 -0.01 0.00 0.01 -0.00 -0.13 -0.21 0.21 0.11 0.09 0.03 0.01 0.02 0.07 -0.03 0.04 0.08 0.01 0.06 0.02 0.05 0.00 -0.02 -0.19 -0.03 0.23 0.03 -0.03 0.00 -0.04 -0.00 -0.02 -0.05 -0.01 0.00 -0.04 0.16 0.01 0.01 0.01 -0.01 0.02 -0.00 -0.01 0.28 0.15 0.13 0.05 -0.07 -0.02 -0.00 -0.02 -0.08 0.04 0.02 -0.01 0.02 -0.02 -0.02 0.06 0.16 -0.01 -0.01 0.06 -0.00 -0.00 0.02 0.03 -0.07 -0.06 -0.09 -0.03 0.02 0.02 -0.03 0.03 0.04 0.01 -0.01 0.04 -0.10 -0.03 -0.19 -0.01 0.00 -0.00 0.00 -0.04 0.02 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.00 -0.06 0.14 0.04 -0.01 0.00 -0.01 -0.06 -0.01 0.01 0.00 0.01 0.00 -0.14 -0.05 -0.10 -0.07 -0.05 -0.05 -0.15 -0.13 -0.07 -0.02 -0.02 0.00 0.00 -0.04 0.01 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 0.07 0.29 -0.18 -0.05 -0.11 0.03 -0.03 0.04 -0.06 0.06 0.06 0.01 0.02 0.04 -0.05 0.06 -0.02 0.16 0.39 0.04 -0.23 0.08 -0.00 0.16 0.08 -0.01 0.01 0.11 0.03 -0.04 0.01 0.04 0.00 0.03 -0.02 -0.03 0.04 0.01 -0.03 0.51 0.21 0.16 0.02 -0.00 0.01 -0.03 0.04 -0.06 0.01 0.09 0.00 0.03 0.03 0.03 0.01 0.03 0.00 0.04 0.02 -0.01 0.01 -0.03 -0.01 0.05 0.05 0.06 -0.11 0.10 0.00 -0.07 0.16 -0.02 -0.02 -0.02 -0.03 0.05 0.01 0.14 -0.06 0.05 0.00 -0.01 0.01 0.01 0.00 -0.02 0.00 0.01 -0.02 -0.01 -0.01 0.01 -0.00 0.11 -0.09 -0.08 -0.05 -0.01 0.01 0.14 0.15 -0.16 -0.03 0.00 -0.00 0.03 -0.01 0.02 0.02 -0.01 0.02 0.03 -0.01 0.06 -0.05 -0.06 -0.02 -0.01 -0.13 0.04 -0.03 -0.03 -0.02 0.01 0.00 -0.01 -0.05 -0.21 0.13 0.05 0.06 -0.01 -0.19 -0.02 -0.02 -0.09 -0.02 0.03 -0.07 -0.02 0.02 -0.02 0.02 -0.06 -0.14 0.01 0.05 -0.02 -0.01 -0.06 0.33 0.03 0.07 0.32 0.03 0.12 0.44 -0.35 0.02 0.00 0.00 0.04 -0.08 0.07 0.02 -0.12 -0.08 -0.12 0.00 -0.01 -0.01 0.03 -0.04 0.03 0.03 -0.03 -0.03 -0.01 -0.03 -0.03 0.02 0.05 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.15 -0.12 -0.16 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.02 0.01 -0.00 0.01 0.03 0.07 -0.00 0.00 0.00 -0.00 -0.04 -0.09 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.03 -0.02 -0.47 0.24 0.37 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.02 0.03 0.05 0.54 -0.25 -0.02 0.03 0.01 -0.02 -0.01 0.02 -0.03 -0.02 -0.01 0.00 -0.02 0.03 0.03 0.02 -0.05 -0.22 -0.05 0.29 -0.00 0.03 -0.02 0.01 0.00 0.00 0.01 -0.01 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.04 -0.02 -0.02 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.02 -0.03 -0.00 0.00 0.02 0.05 -0.00 -0.00 0.01 -0.00 0.02 -0.01 -0.00 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.05 -0.01 -0.04 0.02 -0.01 -0.00 -0.05 -0.02 0.01 0.05 0.02 0.02 0.08 0.04 0.03 0.13 0.05 -0.00 0.08 -0.06 0.09 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.02 -0.03 -0.02 0.01 -0.02 -0.01 -0.01 0.01 -0.03 -0.02 -0.02 -0.01 -0.02 0.02 -0.03 0.01 -0.05 -0.08 -0.02 0.05 -0.03 0.02 -0.06 0.01 -0.00 0.01 0.00 -0.01 0.02 0.03 -0.04 0.00 -0.12 -0.06 -0.02 -0.04 -0.05 0.01 0.73 0.37 0.40 0.02 0.02 0.03 -0.12 0.13 -0.07 -0.02 -0.04 -0.01 0.03 0.05 0.04 -0.02 -0.02 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.09 -0.07 -0.06 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 -0.04 -0.06 0.03 0.05 -0.01 0.00 0.00 0.07 -0.04 0.18 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.06 0.60 0.13 -0.49 -0.01 -0.00 0.00 0.02 0.02 -0.02 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 -0.03 -0.02 0.01 0.08 0.42 -0.25 -0.05 0.00 -0.02 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.03 -0.00 0.01 0.02 0.01 -0.02 -0.09 -0.03 0.18 0.00 0.03 0.01 -0.01 0.00 0.00 -0.03 0.01 0.03 0.03 -0.09 -0.01 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.04 -0.02 -0.03 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.05 -0.01 -0.03 -0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.02 -0.01 0.03 -0.03 0.02 -0.04 -0.01 -0.00 0.00 0.00 0.01 -0.02 -0.02 0.01 0.17 -0.01 -0.00 -0.02 -0.00 0.01 0.03 0.03 -0.01 -0.03 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.03 -0.03 0.03 -0.00 -0.00 0.01 0.08 0.00 -0.06 0.04 0.03 -0.02 -0.21 -0.15 0.17 0.02 0.01 0.01 0.01 0.00 0.01 0.01 0.01 -0.03 0.00 0.01 -0.03 -0.03 -0.03 0.02 0.02 0.02 -0.16 -0.14 -0.13 0.00 -0.00 -0.00 0.00 0.01 0.03 -0.02 -0.01 0.01 -0.01 -0.02 0.01 0.01 -0.01 0.01 0.02 0.04 0.01 0.03 -0.00 0.00 -0.01 -0.04 -0.00 0.03 -0.01 -0.00 -0.01 0.06 -0.03 -0.02 0.11 -0.07 -0.11 -0.14 0.83 0.09 -0.00 0.01 0.00 0.04 -0.04 0.01 -0.08 -0.02 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.04 0.01 0.06 0.01 -0.00 0.00 -0.02 -0.01 0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.16 -0.13 -0.25 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.14 0.02 0.01 0.00 -0.00 0.00 0.04 -0.12 0.06 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.37 -0.06 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.00 0.02 0.01 -0.06 0.02 -0.05 0.01 0.06 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.00 -0.01 -0.37 0.13 0.36 0.43 0.03 0.23 -0.00 -0.00 -0.00 0.00 0.04 0.06 0.01 0.04 -0.05 -0.02 -0.01 0.00 -0.15 0.10 -0.27 0.05 -0.23 -0.11 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.04 0.03 -0.00 0.00 0.00 0.00 0.01 -0.04 0.03 0.01 -0.01 -0.00 -0.14 0.24 -0.05 -0.01 0.01 0.02 -0.00 0.00 -0.00 0.04 0.10 0.12 -0.00 -0.00 -0.01 -0.03 0.01 0.03 0.10 -0.08 -0.05 0.00 -0.04 -0.01 0.00 -0.02 -0.00 -0.16 -0.15 0.11 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.03 0.01 -0.01 0.42 -0.20 0.10 -0.12 -0.13 -0.37 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.07 -0.03 0.20 0.03 0.28 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.01 0.08 -0.01 0.04 0.07 -0.01 0.05 0.00 -0.00 -0.00 -0.05 0.01 -0.00 -0.01 -0.03 0.01 0.01 -0.01 0.00 0.14 0.04 -0.25 -0.31 -0.03 -0.07 -0.01 -0.00 -0.00 0.02 -0.04 -0.00 -0.02 0.01 0.05 0.00 0.01 0.01 0.08 -0.01 -0.06 0.00 0.02 0.01 0.18 -0.02 0.11 -0.05 0.07 0.10 0.00 0.00 -0.00 -0.14 0.26 -0.05 0.02 -0.02 -0.07 0.00 -0.00 0.01 0.04 0.03 -0.14 -0.00 0.00 0.01 0.11 -0.03 -0.04 0.03 -0.01 -0.05 -0.01 0.11 0.01 0.02 -0.02 0.00 -0.16 -0.17 0.14 0.00 -0.01 0.00 0.00 0.04 -0.01 -0.01 0.02 0.00 0.15 -0.15 0.11 -0.05 -0.06 -0.18 -0.00 -0.00 -0.00 0.06 0.00 -0.00 -0.01 -0.08 0.05 0.01 -0.00 0.01 -0.05 0.13 -0.17 -0.17 -0.03 -0.03 0.00 0.00 -0.00 -0.04 0.02 0.04 0.04 -0.04 0.05 0.01 0.00 -0.01 -0.14 0.01 -0.08 -0.10 0.00 -0.06 -0.01 0.00 0.00 0.12 -0.03 0.02 0.02 0.10 -0.03 -0.02 -0.01 -0.01 -0.21 -0.10 0.35 0.44 0.12 0.11 -0.01 -0.00 0.02 -0.12 0.16 0.01 0.11 -0.01 -0.19 -0.00 0.01 -0.00 0.07 -0.03 -0.01 -0.02 -0.03 -0.00 0.13 -0.05 0.06 -0.03 0.06 0.01 0.01 0.00 0.01 0.05 -0.08 0.02 0.18 -0.03 -0.14 0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.05 0.00 0.01 0.59 -0.12 -0.15 -0.02 0.01 0.01 -0.10 0.54 -0.03 -0.01 0.01 -0.00 0.05 0.06 -0.04 0.01 -0.02 0.01 0.05 -0.02 -0.02 -0.00 -0.00 0.00 0.05 -0.01 -0.00 -0.03 -0.03 -0.01 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.03 -0.05 0.05 0.04 0.02 0.01 -0.01 -0.01 -0.00 -0.12 0.20 0.04 0.12 -0.04 0.10 0.00 0.00 -0.00 0.09 -0.07 -0.08 -0.06 -0.09 0.09 -0.01 0.00 0.00 -0.00 0.02 -0.06 0.02 -0.03 -0.03 0.01 -0.00 0.00 0.05 0.06 -0.09 -0.12 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 0.02 -0.13 -0.09 0.04 -0.03 0.01 -0.02 -0.02 0.09 -0.12 0.00 0.01 0.00 -0.19 0.33 -0.08 0.03 -0.00 -0.02 -0.01 0.02 0.00 0.03 0.13 0.17 -0.01 0.00 0.00 0.09 -0.02 -0.02 0.11 -0.09 -0.02 -0.02 0.08 -0.00 0.01 -0.03 0.00 -0.22 -0.24 0.10 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.02 0.01 -0.22 0.17 -0.11 0.12 0.11 0.21 -0.00 -0.01 0.00 -0.07 -0.02 0.03 -0.00 0.10 -0.09 0.01 0.01 -0.01 -0.07 0.12 -0.08 -0.02 -0.04 -0.02 -0.00 -0.00 -0.00 -0.02 0.03 0.01 0.02 -0.01 0.02 0.00 0.00 -0.00 -0.02 -0.00 -0.02 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.06 0.02 0.06 -0.14 -0.02 0.02 -0.00 -0.01 0.16 -0.32 -0.03 -0.24 -0.01 0.34 -0.01 -0.00 -0.01 -0.06 0.08 -0.20 0.00 -0.02 -0.02 0.14 0.08 0.10 0.05 -0.06 -0.09 0.00 0.00 -0.00 0.14 -0.19 0.13 -0.05 -0.05 -0.09 -0.00 0.02 -0.00 -0.11 -0.17 0.03 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.17 0.14 0.09 0.01 -0.01 0.03 -0.01 0.01 -0.01 0.15 0.17 -0.04 -0.00 -0.01 0.00 -0.01 0.13 -0.01 -0.01 0.02 -0.01 0.21 -0.16 0.10 -0.10 -0.10 -0.20 -0.00 -0.02 0.01 -0.01 -0.02 0.04 -0.02 0.04 -0.17 -0.01 -0.01 0.01 0.05 -0.06 0.01 -0.03 0.01 0.00 0.01 0.01 -0.00 -0.03 -0.07 0.06 0.02 -0.04 0.04 0.00 -0.00 -0.00 -0.08 -0.01 -0.06 -0.05 -0.01 -0.01 -0.01 0.00 -0.01 0.18 -0.07 0.09 0.00 0.18 -0.01 0.00 0.01 -0.01 -0.08 -0.01 0.14 0.19 0.03 0.03 0.01 0.00 -0.02 0.21 -0.34 -0.03 -0.21 0.02 0.41 0.01 0.00 0.02 0.02 0.02 -0.09 0.01 -0.00 -0.01 0.04 0.08 0.06 -0.03 0.05 0.05 -0.01 0.00 -0.00 -0.03 0.02 -0.05 -0.11 -0.11 -0.22 0.00 -0.01 -0.00 0.04 0.08 0.04 0.00 0.01 -0.01 -0.03 0.02 0.03 0.08 -0.07 -0.04 0.02 -0.02 0.04 0.00 0.00 0.01 -0.03 -0.04 -0.02 -0.00 -0.02 0.00 -0.01 0.31 -0.04 0.01 -0.01 0.00 -0.09 0.07 -0.05 0.03 0.03 0.09 0.00 -0.02 0.00 0.09 -0.03 0.12 -0.01 -0.09 -0.02 0.00 0.00 -0.00 -0.02 -0.00 0.05 0.07 0.02 0.01 0.02 0.02 0.00 -0.04 -0.18 0.13 0.01 -0.11 0.08 -0.00 -0.00 0.01 -0.04 -0.06 -0.11 0.05 -0.07 0.12 -0.04 0.01 -0.02 0.44 -0.17 0.26 0.01 0.46 -0.04 0.01 0.00 0.00 0.09 -0.01 -0.15 -0.18 -0.02 -0.04 -0.00 0.00 0.01 -0.05 0.11 0.02 0.06 -0.01 -0.13 -0.00 -0.00 -0.01 -0.02 -0.01 0.05 -0.01 -0.04 -0.03 -0.05 -0.03 -0.04 -0.01 0.01 -0.04 0.00 -0.00 -0.00 0.03 -0.06 0.00 0.16 0.16 0.28 -0.00 -0.00 -0.00 0.04 0.09 0.05 0.01 -0.00 0.00 -0.13 0.03 0.04 0.07 -0.08 0.02 -0.01 -0.12 -0.08 -0.01 0.00 0.00 0.02 0.01 -0.09 0.00 0.04 -0.00 0.02 -0.44 0.05 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.04 -0.03 0.01 -0.00 -0.01 0.00 0.02 -0.01 0.06 -0.00 -0.02 0.03 -0.00 -0.00 0.00 -0.05 0.02 0.02 0.07 -0.02 0.02 0.00 -0.04 -0.03 -0.25 0.46 0.06 0.31 0.05 0.13 0.00 -0.00 0.01 -0.13 0.01 -0.05 0.07 0.01 0.02 -0.03 -0.00 -0.00 0.25 -0.07 0.04 0.07 0.22 -0.12 0.00 0.01 -0.00 0.01 -0.09 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.03 -0.01 -0.03 0.00 0.00 -0.00 -0.03 0.07 0.01 -0.01 0.02 0.02 0.00 -0.00 0.00 0.07 -0.13 0.07 -0.04 -0.03 -0.05 -0.00 0.00 -0.01 0.13 0.24 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.16 -0.21 0.16 0.00 0.00 -0.00 -0.02 0.01 -0.00 0.05 0.03 -0.24 -0.00 -0.01 0.00 0.00 0.09 -0.02 0.00 0.01 -0.01 0.02 -0.03 0.03 -0.16 -0.13 0.09 -0.00 0.00 -0.01 0.05 0.01 -0.02 0.01 -0.08 0.14 -0.00 -0.00 0.00 -0.07 0.06 -0.00 0.17 -0.15 0.04 -0.00 0.01 0.01 0.06 -0.10 -0.02 -0.07 -0.01 -0.03 0.00 0.00 -0.00 -0.03 0.02 0.02 0.02 0.02 -0.02 0.01 0.00 0.00 -0.06 0.02 -0.01 -0.00 -0.05 0.01 -0.00 -0.00 -0.00 -0.01 -0.06 0.02 0.03 0.01 0.01 0.00 0.00 0.02 -0.23 -0.06 -0.08 -0.01 -0.02 -0.07 -0.01 -0.01 0.01 0.23 -0.02 -0.41 -0.08 -0.05 0.02 0.05 0.44 0.20 -0.04 0.09 -0.04 0.00 -0.00 -0.00 0.01 -0.09 -0.09 -0.01 -0.02 -0.04 -0.02 -0.00 -0.00 0.12 0.28 0.22 -0.00 -0.00 0.00 0.03 -0.02 -0.03 0.27 -0.23 -0.12 -0.01 0.04 -0.00 -0.00 0.02 0.02 -0.01 -0.05 -0.24 0.00 -0.01 0.00 0.00 0.05 -0.01 -0.01 0.00 -0.01 0.07 -0.04 0.02 -0.06 -0.05 -0.03 -0.00 0.00 0.01 -0.00 0.01 -0.04 -0.02 0.02 -0.13 -0.00 -0.01 0.00 -0.21 0.09 0.15 0.25 0.04 0.06 -0.00 0.00 0.00 0.03 -0.05 -0.01 -0.04 -0.00 -0.02 0.00 0.00 -0.00 -0.12 0.06 0.03 -0.00 0.06 -0.08 0.01 -0.00 0.00 -0.06 0.02 -0.02 -0.01 -0.06 0.03 -0.01 -0.00 -0.02 -0.08 -0.14 0.11 0.18 0.05 0.03 -0.00 0.00 -0.02 0.15 -0.03 0.03 0.00 0.04 0.12 0.02 0.01 0.01 -0.07 -0.05 0.35 -0.02 0.00 0.02 -0.30 -0.16 -0.24 -0.02 0.04 0.02 -0.01 -0.00 -0.00 -0.02 0.09 0.04 0.02 0.01 0.00 0.01 0.01 0.00 -0.07 -0.16 -0.12 -0.00 -0.00 -0.00 0.04 -0.01 0.02 -0.15 0.14 0.03 0.00 0.03 0.02 0.01 -0.01 0.00 -0.05 -0.08 -0.05 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 -0.02 -0.01 -0.08 0.13 -0.12 0.05 0.05 0.12 0.00 -0.00 0.00 0.01 0.01 -0.06 -0.00 -0.02 0.01 -0.01 -0.01 -0.01 -0.22 -0.08 0.48 0.39 0.37 0.06 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.02 -0.00 -0.01 -0.11 0.00 -0.06 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.01 0.02 -0.01 0.01 -0.02 -0.02 -0.08 0.08 0.12 0.11 0.31 0.06 0.00 -0.00 0.01 -0.04 0.02 -0.00 -0.00 -0.02 -0.05 -0.01 -0.01 -0.00 0.00 0.03 -0.13 0.09 0.11 0.01 0.05 0.09 0.06 0.01 -0.06 0.14 -0.02 -0.00 -0.02 0.03 -0.07 0.00 0.05 0.00 -0.03 -0.00 -0.00 -0.00 0.07 0.14 0.04 -0.03 -0.01 -0.01 0.14 -0.01 0.10 0.11 -0.12 0.03 -0.01 0.11 0.09 -0.01 0.01 -0.00 0.04 0.05 -0.03 0.00 -0.00 -0.01 -0.03 -0.02 0.03 0.00 0.01 -0.01 -0.03 -0.04 0.04 0.03 0.03 -0.04 0.00 -0.00 -0.00 -0.12 -0.01 -0.05 0.03 0.10 0.05 0.00 -0.00 0.01 0.06 -0.00 -0.08 -0.07 -0.07 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.03 0.01 0.00 0.01 0.00 0.06 -0.08 -0.12 -0.07 -0.10 0.10 -0.00 0.00 0.01 0.02 0.00 0.00 0.02 0.02 -0.03 -0.00 -0.00 0.00 -0.01 0.03 0.01 0.01 -0.05 -0.00 0.00 -0.00 0.00 -0.05 -0.01 -0.02 0.02 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.03 0.49 0.32 -0.14 0.01 0.01 0.02 0.06 -0.28 0.56 0.00 -0.00 0.00 -0.03 0.06 -0.02 -0.07 0.01 0.07 -0.00 0.00 0.00 -0.03 -0.06 -0.04 0.02 0.02 -0.02 -0.10 0.06 0.12 -0.04 0.05 -0.03 0.04 -0.11 0.03 0.01 -0.00 0.01 -0.05 -0.09 -0.08 0.00 0.00 -0.00 -0.02 -0.01 0.01 0.00 0.01 -0.00 0.02 -0.03 0.02 -0.09 -0.08 0.04 -0.00 0.00 0.00 0.00 0.01 -0.03 -0.01 0.00 -0.03 -0.00 0.00 -0.00 -0.11 0.10 -0.03 0.11 -0.10 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.06 -0.03 -0.01 0.02 -0.00 0.27 -0.32 -0.44 -0.06 -0.38 0.47 0.00 0.01 0.02 -0.03 0.06 -0.13 -0.01 -0.10 0.02 -0.00 -0.01 0.00 -0.03 0.08 0.06 0.06 0.01 0.02 -0.00 0.00 -0.00 0.05 -0.00 0.01 0.00 0.01 0.04 0.00 0.00 -0.00 0.07 -0.05 0.05 -0.08 -0.04 0.04 -0.12 0.05 -0.05 -0.03 0.07 -0.06 0.00 0.01 0.01 0.06 -0.13 0.03 -0.04 0.00 0.04 -0.01 -0.00 -0.01 0.15 0.28 0.05 0.01 0.01 -0.00 -0.06 0.02 0.02 0.19 -0.24 0.13 0.03 -0.06 0.02 -0.02 0.01 -0.01 0.10 0.16 0.12 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.01 0.01 0.06 -0.05 0.20 0.15 -0.12 -0.00 -0.00 -0.01 -0.03 -0.01 0.01 0.02 0.01 0.14 -0.00 -0.01 0.00 0.20 -0.24 0.14 -0.16 0.29 -0.04 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.02 -0.01 0.00 0.01 -0.00 0.07 -0.10 -0.14 -0.15 -0.11 0.08 -0.00 0.00 0.01 0.00 0.01 -0.03 0.02 -0.01 -0.03 -0.01 -0.01 -0.02 -0.09 0.13 0.12 0.12 0.13 0.04 0.01 0.00 -0.00 -0.11 -0.07 -0.06 -0.04 -0.02 -0.00 -0.00 0.00 0.00 -0.19 0.11 -0.02 -0.09 -0.10 0.00 0.19 -0.17 0.05 0.05 -0.03 -0.23 -0.01 0.00 0.00 -0.02 0.01 -0.04 -0.02 0.01 0.05 -0.01 0.00 0.01 0.04 0.07 0.02 0.01 0.00 0.01 -0.02 0.00 -0.02 0.09 -0.04 -0.14 0.03 -0.00 0.09 -0.00 -0.00 0.00 -0.01 -0.00 0.03 0.00 0.00 -0.01 -0.03 -0.03 0.02 0.01 -0.00 -0.01 -0.05 -0.00 0.01 -0.04 -0.04 0.08 -0.00 0.01 0.01 0.36 0.06 -0.04 -0.11 -0.31 -0.35 -0.00 0.01 -0.00 0.14 -0.10 -0.02 -0.03 -0.05 -0.01 0.01 -0.01 -0.00 -0.06 0.06 0.04 0.08 0.10 -0.01 0.00 -0.00 0.00 0.27 -0.00 0.14 -0.30 0.02 -0.16 -0.01 -0.01 -0.01 0.02 -0.02 0.00 -0.13 0.00 0.15 -0.00 -0.02 0.00 -0.04 0.35 0.05 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.07 0.02 0.03 -0.04 -0.01 0.02 -0.00 -0.00 -0.00 0.06 -0.03 -0.03 0.12 -0.17 -0.19 -0.04 0.07 0.00 -0.08 0.11 0.12 -0.01 0.01 0.01 -0.02 0.08 0.02 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.04 -0.06 -0.01 0.00 0.01 0.00 -0.00 -0.02 -0.15 -0.03 0.47 0.00 0.01 0.04 0.01 -0.00 -0.01 -0.05 -0.07 -0.02 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.03 0.02 -0.03 -0.01 0.01 -0.02 0.28 0.04 0.00 -0.01 -0.35 0.35 0.00 -0.00 0.00 -0.11 0.10 -0.02 0.02 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.04 0.01 -0.01 0.08 0.00 0.03 0.00 -0.00 0.00 -0.04 0.02 -0.03 0.01 -0.03 -0.01 0.00 0.00 0.01 0.03 -0.10 -0.04 -0.04 0.02 -0.00 0.02 0.02 -0.02 -0.13 -0.20 -0.12 -0.11 -0.01 0.09 0.01 0.01 0.00 -0.11 0.02 0.16 0.18 -0.24 -0.28 -0.08 -0.15 -0.10 -0.05 0.05 0.08 0.01 -0.02 -0.02 -0.01 0.02 0.00 0.02 -0.01 -0.03 -0.00 0.00 -0.00 0.03 0.04 -0.05 0.00 -0.01 -0.01 0.02 0.00 0.04 -0.02 -0.06 0.19 -0.03 -0.01 -0.10 0.00 -0.00 -0.01 -0.00 0.01 0.06 -0.00 -0.00 0.01 0.03 0.02 -0.02 0.01 -0.01 -0.01 -0.08 0.01 -0.00 0.04 0.03 0.03 -0.00 0.01 0.01 0.23 0.08 -0.27 -0.06 -0.27 -0.08 0.00 0.00 -0.00 0.05 -0.03 -0.02 -0.07 0.02 -0.02 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.08 -0.01 0.04 -0.00 0.00 -0.00 0.02 -0.01 0.01 -0.04 0.01 0.05 -0.00 0.00 0.01 -0.00 -0.02 0.01 0.01 -0.10 -0.01 0.01 0.01 -0.00 -0.05 -0.07 -0.04 -0.06 -0.01 0.03 0.00 0.00 -0.00 -0.08 0.03 0.03 -0.29 0.49 0.50 -0.01 -0.06 -0.03 -0.10 0.13 0.21 0.01 -0.01 -0.01 -0.06 0.13 -0.04 0.01 0.01 0.01 -0.00 0.01 -0.01 0.03 0.04 -0.13 0.01 -0.00 -0.00 -0.03 0.00 -0.00 -0.06 -0.07 0.32 0.02 -0.01 0.02 0.01 -0.01 0.00 -0.08 -0.12 -0.04 -0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 0.01 -0.00 0.04 -0.03 0.02 -0.10 -0.08 0.03 0.01 -0.01 -0.01 -0.26 -0.06 0.10 0.08 0.25 0.19 -0.00 0.01 0.00 0.03 0.01 -0.06 0.03 -0.12 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.04 0.02 0.00 -0.01 0.01 0.23 0.02 0.16 -0.32 0.05 -0.20 -0.01 -0.00 -0.01 0.06 -0.05 0.10 0.04 0.10 -0.06 0.01 -0.02 -0.00 -0.02 0.40 0.03 -0.05 0.04 -0.00 0.00 -0.00 -0.01 -0.11 -0.11 -0.07 0.04 0.03 0.08 0.01 0.01 0.00 0.07 -0.07 0.15 -0.11 0.11 0.15 -0.20 -0.00 -0.12 0.02 -0.01 -0.05 0.00 -0.01 -0.00 -0.02 -0.01 -0.06 0.03 0.00 -0.02 0.00 0.00 0.02 -0.05 -0.05 0.17 0.00 -0.00 -0.00 -0.02 0.00 0.01 0.09 0.10 -0.46 0.01 -0.02 0.00 0.00 -0.01 0.01 0.01 0.02 0.08 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.02 0.01 -0.01 -0.07 -0.06 0.09 -0.01 0.00 -0.02 0.08 0.01 -0.03 0.07 -0.19 0.66 -0.00 0.01 -0.00 0.14 -0.13 0.03 -0.06 0.05 -0.01 -0.00 0.01 -0.00 0.03 -0.02 -0.03 -0.05 -0.12 0.04 0.00 -0.00 0.00 -0.03 -0.01 -0.02 -0.09 -0.00 -0.04 0.00 0.00 0.01 -0.02 -0.00 0.03 0.11 0.02 -0.14 -0.00 0.00 -0.01 -0.03 0.08 0.03 0.03 -0.02 -0.00 -0.00 0.01 -0.03 0.16 -0.03 0.02 -0.11 -0.01 0.09 0.00 -0.00 0.00 0.09 -0.05 0.00 -0.04 0.05 0.05 -0.12 0.11 -0.03 -0.05 0.08 0.08 0.00 0.00 0.00 -0.06 0.08 -0.08 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.03 0.04 -0.03 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.02 -0.06 0.20 -0.01 0.00 -0.02 0.01 -0.01 -0.01 -0.02 0.01 0.23 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 -0.01 -0.01 -0.02 0.06 -0.06 -0.14 -0.12 0.19 0.00 -0.00 0.01 -0.05 -0.01 0.01 -0.01 0.08 -0.17 0.00 0.00 -0.00 0.24 -0.24 0.09 -0.27 0.31 -0.06 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.17 0.00 -0.08 0.14 -0.01 0.07 0.01 0.00 0.00 -0.03 0.02 -0.04 0.00 -0.03 0.01 -0.01 0.01 -0.00 -0.01 -0.14 0.00 0.03 0.04 0.01 -0.01 0.00 -0.00 -0.05 -0.04 -0.03 0.07 0.04 0.05 -0.00 0.00 -0.00 0.34 -0.22 0.10 0.05 -0.06 -0.07 -0.33 0.23 -0.11 -0.02 0.02 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.35 -0.04 0.21 0.00 -0.00 0.00 -0.01 -0.01 0.03 -0.01 0.00 -0.00 0.14 -0.03 -0.04 -0.00 0.01 -0.03 0.00 0.11 0.07 0.00 -0.00 0.00 0.00 0.00 0.01 0.02 -0.02 -0.01 -0.00 0.11 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.03 -0.02 0.04 0.03 0.01 0.14 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.02 -0.00 0.00 -0.02 0.01 -0.00 -0.02 0.02 0.11 0.75 -0.36 0.00 -0.00 0.00 -0.06 0.03 0.01 -0.01 0.03 -0.03 -0.01 -0.02 0.01 0.15 -0.03 -0.04 -0.01 0.07 0.01 0.00 0.00 -0.00 0.01 -0.04 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.02 0.06 0.05 -0.02 0.01 -0.01 -0.01 0.00 0.03 -0.01 0.00 0.01 0.01 0.00 0.05 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.13 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.02 0.08 0.00 0.01 0.02 -0.01 0.00 -0.00 0.01 0.03 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.03 0.06 -0.02 0.01 0.03 0.00 0.00 0.00 0.00 0.07 0.04 -0.16 -0.01 -0.11 0.03 -0.01 0.01 -0.01 0.07 -0.07 0.03 0.22 -0.18 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 -0.04 -0.00 -0.02 -0.03 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.02 0.01 -0.01 0.05 -0.03 -0.00 0.04 0.05 0.08 -0.04 0.02 -0.02 0.54 -0.36 0.22 0.03 0.08 0.03 0.36 -0.26 0.12 0.15 -0.25 -0.18 0.02 -0.01 -0.01 -0.05 0.08 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.02 0.03 -0.06 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.02 0.04 -0.01 -0.01 -0.03 -0.01 -0.00 -0.00 -0.02 -0.01 0.07 0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.11 -0.02 0.03 -0.05 -0.04 0.10 -0.00 -0.00 -0.01 -0.10 -0.05 0.22 0.02 0.16 -0.03 -0.02 0.03 -0.01 0.29 -0.28 0.08 0.31 -0.27 0.07 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.15 0.00 -0.07 0.06 -0.00 0.03 0.01 -0.00 0.01 -0.04 0.02 -0.04 0.04 -0.03 -0.05 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.02 0.02 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 -0.00 0.01 -0.01 -0.07 0.03 0.05 -0.04 -0.12 -0.05 0.23 -0.21 0.05 -0.25 0.42 0.32 -0.01 0.01 0.01 -0.09 0.14 -0.06 -0.02 -0.00 0.01 -0.00 0.00 0.01 0.02 -0.00 -0.15 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.02 -0.03 0.01 0.02 0.03 0.01 -0.01 0.01 -0.08 -0.12 -0.06 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.02 0.02 0.00 0.15 -0.07 0.05 -0.08 -0.06 -0.07 0.00 0.00 0.01 0.05 0.06 -0.28 -0.02 -0.09 -0.06 -0.02 0.03 -0.00 0.35 -0.30 0.05 0.22 -0.25 0.05 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.27 0.01 -0.11 0.01 -0.00 -0.00 0.01 0.00 0.01 0.01 0.01 -0.02 0.04 -0.00 -0.04 -0.00 0.00 0.01 0.01 0.02 -0.02 -0.05 0.03 -0.00 0.01 -0.00 0.01 -0.03 -0.02 -0.01 -0.04 -0.02 -0.01 0.02 -0.01 0.01 -0.26 0.17 -0.07 0.06 0.05 -0.00 -0.18 0.10 -0.07 0.19 -0.31 -0.25 -0.00 0.00 -0.00 -0.02 0.01 -0.02 0.08 -0.01 -0.09 -0.01 0.00 0.02 0.09 0.09 -0.34 -0.01 0.00 0.01 0.02 -0.00 0.01 0.06 0.01 -0.16 -0.10 -0.03 -0.27 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.05 0.03 -0.04 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.01 -0.02 0.10 0.02 -0.02 0.10 -0.01 0.01 -0.00 0.09 -0.10 0.04 0.08 -0.04 0.02 0.00 -0.01 0.00 -0.02 0.01 0.02 0.03 0.08 -0.03 -0.03 -0.00 -0.03 0.45 0.03 0.27 0.49 0.04 0.15 -0.01 -0.00 -0.01 0.05 -0.04 0.06 -0.11 0.04 0.12 -0.02 -0.00 -0.00 -0.05 -0.03 0.08 0.14 0.10 0.05 0.01 -0.00 -0.01 -0.03 -0.09 -0.04 -0.05 0.01 0.10 -0.00 0.00 0.00 0.03 -0.02 0.03 0.06 0.01 -0.04 -0.01 -0.02 -0.01 0.06 -0.11 -0.03 -0.00 0.00 -0.00 -0.04 0.08 -0.01 0.08 -0.00 -0.07 0.02 -0.00 -0.04 -0.17 -0.17 0.69 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.09 -0.02 0.27 -0.03 -0.02 -0.10 0.00 -0.01 -0.00 -0.03 -0.04 0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.04 -0.02 0.01 -0.04 -0.03 0.00 0.00 0.00 -0.01 -0.00 -0.02 0.10 0.01 0.00 0.05 -0.01 0.01 -0.00 0.15 -0.14 0.04 0.07 -0.05 0.02 0.00 -0.00 0.00 -0.01 0.01 0.01 0.02 0.04 -0.01 -0.01 0.01 -0.01 0.26 -0.01 0.11 0.06 -0.00 0.03 -0.01 -0.00 -0.01 0.03 -0.02 0.02 -0.09 0.01 0.11 -0.01 0.01 -0.02 -0.07 -0.10 0.09 0.17 -0.07 0.01 -0.01 0.00 0.01 0.06 0.15 0.07 0.06 -0.02 -0.19 0.01 -0.01 0.00 -0.12 0.08 -0.06 0.02 0.04 0.01 -0.05 0.06 -0.01 0.04 -0.07 -0.03 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.53 -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.12 0.03 0.06 0.00 0.00 -0.01 -0.09 -0.12 -0.35 0.00 0.00 0.00 -0.00 -0.01 -0.05 -0.02 0.01 0.02 0.03 0.03 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.03 -0.03 -0.00 0.00 -0.00 0.04 -0.02 0.14 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.03 0.04 -0.02 -0.04 0.01 -0.01 -0.01 -0.02 0.02 0.03 -0.01 -0.02 0.01 0.35 -0.17 0.01 -0.00 0.01 -0.24 -0.02 -0.15 -0.15 -0.03 -0.03 0.00 -0.01 0.01 0.01 0.02 -0.06 -0.02 -0.02 0.04 0.01 -0.01 0.00 0.01 0.15 -0.01 -0.07 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.03 -0.02 0.00 0.02 0.01 -0.01 -0.01 0.01 0.00 0.02 -0.04 0.01 -0.01 -0.01 -0.02 -0.01 0.02 -0.01 -0.01 0.01 0.03 -0.00 0.00 0.01 0.01 0.00 -0.08 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.02 -0.04 0.08 0.04 0.27 0.00 -0.00 0.00 -0.02 -0.04 -0.07 0.00 0.00 -0.01 -0.04 -0.03 0.03 -0.01 0.00 0.00 0.02 -0.00 0.00 0.06 0.05 -0.07 -0.00 0.02 -0.02 0.19 -0.10 0.75 -0.02 -0.12 -0.00 -0.00 0.00 0.00 0.06 -0.06 0.01 0.02 -0.02 0.01 0.00 0.00 -0.01 -0.03 0.02 0.02 0.01 -0.08 0.05 0.01 0.00 0.00 -0.09 -0.00 -0.06 -0.08 -0.01 -0.02 0.01 -0.00 -0.01 -0.08 0.04 -0.08 -0.17 -0.09 0.22 0.00 0.01 -0.01 0.02 -0.13 -0.03 -0.02 0.03 0.00 0.00 0.00 -0.00 -0.03 -0.04 -0.02 -0.02 0.00 0.03 -0.00 -0.00 0.00 0.03 -0.02 0.01 -0.05 0.22 0.15 -0.04 0.03 -0.01 0.08 -0.17 -0.06 0.00 -0.00 0.01 0.00 -0.02 -0.02 0.34 0.03 -0.24 0.00 -0.00 0.01 0.02 0.03 -0.06 0.00 -0.01 -0.02 -0.11 0.01 0.00 0.02 0.00 -0.05 0.18 0.04 0.55 -0.00 -0.00 -0.01 0.05 0.12 0.30 -0.01 0.01 -0.01 -0.10 -0.07 0.08 0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.16 -0.13 0.13 0.00 -0.01 0.00 -0.08 0.02 -0.19 0.02 0.05 0.06 -0.00 -0.00 -0.01 -0.05 0.02 0.02 0.10 -0.03 0.01 -0.00 -0.01 0.01 -0.01 0.02 0.00 0.02 0.14 -0.06 -0.00 0.01 -0.00 0.16 -0.00 0.06 -0.06 0.00 -0.02 -0.01 0.00 -0.01 0.07 -0.03 0.03 -0.11 0.02 0.13 -0.00 0.01 0.00 0.03 -0.30 -0.04 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.08 -0.04 -0.04 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.08 0.05 0.01 -0.04 -0.01 0.02 0.03 -0.06 -0.01 -0.01 0.04 -0.05 -0.01 0.00 -0.00 0.01 -0.04 -0.03 -0.16 -0.01 0.11 0.00 -0.00 -0.00 0.02 0.05 0.04 0.00 0.00 0.01 0.05 -0.01 0.01 0.03 -0.03 -0.01 -0.11 -0.03 -0.33 -0.00 -0.00 -0.02 0.10 0.24 0.57 0.01 -0.00 0.01 0.06 0.03 -0.04 0.00 0.01 -0.01 0.06 -0.01 0.00 -0.29 -0.24 0.22 -0.00 0.01 -0.00 0.05 -0.02 0.15 -0.01 -0.05 -0.02 -0.00 -0.01 -0.02 -0.20 0.14 0.00 0.15 -0.07 0.02 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.07 0.04 0.00 -0.00 0.00 -0.07 -0.01 -0.05 -0.09 -0.01 -0.02 0.00 0.00 -0.00 -0.03 0.01 -0.02 -0.03 -0.02 0.04 0.01 -0.00 -0.00 0.00 0.07 -0.00 -0.02 0.01 -0.00 0.01 0.00 0.00 -0.06 -0.03 -0.03 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.14 0.09 -0.00 0.06 0.07 0.00 0.03 -0.07 -0.02 0.08 -0.16 -0.05 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.10 -0.01 0.08 0.01 0.00 0.01 -0.02 -0.05 0.03 0.01 0.00 0.01 0.02 0.00 0.01 0.00 0.06 -0.14 -0.07 -0.03 -0.24 0.00 -0.00 0.00 -0.01 -0.04 -0.09 0.00 -0.00 0.01 0.04 0.01 -0.03 -0.00 -0.00 0.00 -0.02 -0.00 0.00 0.08 0.06 -0.06 0.01 -0.01 -0.01 -0.15 0.01 -0.21 0.06 0.10 0.14 -0.00 0.00 0.00 0.05 -0.04 0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.07 0.04 0.06 0.03 -0.09 0.07 0.01 0.01 0.01 -0.06 -0.03 -0.09 -0.25 -0.02 -0.06 0.00 0.01 -0.02 0.11 -0.02 0.03 -0.43 -0.05 0.54 0.00 0.01 0.00 0.03 -0.20 -0.05 -0.04 -0.02 -0.01 0.01 0.00 -0.00 -0.25 -0.13 -0.12 0.02 0.01 0.01 -0.00 0.00 0.00 0.04 -0.03 0.03 0.01 -0.07 -0.04 -0.03 -0.01 -0.02 -0.04 0.08 0.05 0.00 -0.00 0.00 0.01 -0.01 0.02 0.01 0.01 0.00 -0.01 -0.00 -0.01 0.02 0.04 -0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.07 0.15 0.05 0.03 0.19 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.00 -0.03 -0.02 0.02 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.11 -0.09 0.09 0.01 -0.00 -0.01 -0.06 -0.00 -0.08 0.04 0.03 0.17 0.00 -0.00 0.00 -0.06 0.06 -0.02 -0.07 0.04 -0.01 0.01 -0.00 -0.00 -0.04 0.03 0.03 0.02 -0.03 0.03 0.00 -0.02 -0.01 -0.30 0.04 -0.06 0.35 0.02 0.10 0.01 0.01 -0.02 0.06 -0.01 0.00 -0.29 -0.04 0.36 0.00 -0.02 -0.00 -0.05 0.47 0.07 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.32 0.16 0.14 -0.02 -0.01 -0.01 0.00 0.00 -0.01 -0.04 0.03 -0.02 -0.00 -0.01 -0.00 0.08 -0.02 0.03 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.02 -0.03 -0.01 0.02 -0.02 -0.00 -0.01 0.08 0.11 -0.30 0.01 0.00 0.01 0.00 0.00 0.01 -0.02 -0.09 0.23 -0.05 -0.03 -0.17 -0.00 0.00 -0.00 -0.02 -0.03 -0.08 0.00 -0.00 0.00 0.02 0.01 -0.02 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.08 -0.07 0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.02 -0.02 0.12 -0.00 0.00 0.00 0.06 -0.05 0.02 -0.04 0.05 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 0.01 0.00 0.02 0.01 0.14 -0.03 -0.01 -0.31 -0.02 -0.08 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.03 -0.00 0.04 0.00 0.01 0.01 0.06 -0.38 -0.08 -0.04 0.03 0.00 -0.02 -0.01 -0.01 0.56 0.27 0.24 -0.05 -0.02 0.03 0.00 -0.00 -0.01 -0.03 0.03 -0.04 0.01 0.00 -0.01 0.08 0.02 0.05 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.03 0.02 -0.05 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.03 0.06 -0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.05 0.09 0.01 0.00 0.02 0.00 -0.01 -0.01 0.06 0.15 0.44 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.02 -0.03 0.03 0.40 0.33 -0.35 0.00 -0.00 -0.00 -0.02 0.00 -0.04 0.01 0.01 0.05 -0.01 0.00 -0.01 -0.08 0.05 0.01 0.26 -0.21 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 -0.02 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 -0.00 0.04 0.00 -0.00 0.00 -0.00 0.03 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.18 0.09 0.08 -0.01 -0.00 0.00 -0.01 -0.02 0.01 0.14 -0.07 -0.06 -0.03 -0.04 -0.00 -0.27 0.27 -0.05 -0.04 0.08 0.04 -0.00 -0.00 0.00 -0.30 0.49 -0.14 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.05 0.09 0.03 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.08 0.06 0.00 0.00 -0.01 0.00 -0.01 -0.06 0.02 0.52 0.46 -0.27 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.01 -0.01 -0.02 -0.03 -0.00 -0.00 -0.00 0.03 0.00 -0.00 0.01 0.03 0.00 -0.00 -0.01 0.00 -0.02 0.03 -0.03 0.00 0.04 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.02 -0.00 0.04 0.01 -0.00 -0.00 0.00 0.02 0.01 -0.03 0.03 0.00 0.01 0.01 -0.01 -0.01 -0.07 0.13 0.00 -0.05 0.00 0.11 0.00 -0.00 -0.01 -0.04 -0.01 0.09 0.02 0.02 -0.00 0.04 0.07 0.05 -0.01 0.02 -0.02 0.01 0.03 -0.02 -0.01 0.02 -0.00 0.04 0.03 0.06 0.00 -0.00 -0.00 0.01 0.02 0.01 0.01 -0.01 -0.00 -0.14 0.03 0.03 -0.01 0.01 -0.00 -0.01 0.17 -0.01 -0.00 -0.00 0.00 0.02 0.02 -0.01 -0.00 -0.01 -0.00 -0.00 0.06 -0.01 -0.03 0.00 -0.04 0.37 -0.29 0.16 0.20 0.29 0.51 0.00 0.00 0.00 -0.07 -0.00 0.01 -0.01 -0.08 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.03 0.01 0.03 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.02 0.03 0.00 0.02 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.05 -0.02 0.03 0.00 -0.08 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.06 -0.00 -0.03 0.00 0.06 -0.00 -0.00 -0.01 -0.02 -0.02 0.09 -0.27 -0.22 0.03 0.04 0.06 0.05 0.09 -0.22 0.25 -0.00 0.00 -0.00 -0.02 0.02 -0.01 0.18 0.12 0.28 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.04 -0.00 -0.48 0.09 0.13 0.00 -0.00 -0.00 -0.07 0.62 -0.08 -0.00 -0.00 0.00 0.03 0.02 -0.01 -0.01 -0.03 -0.01 -0.01 0.29 -0.03 0.01 0.00 0.01 -0.13 0.10 -0.06 -0.07 -0.11 -0.18 0.00 0.00 -0.00 -0.04 -0.01 0.01 -0.01 -0.04 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.03 -0.00 -0.03 0.05 -0.00 0.03 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.02 0.01 -0.01 -0.00 0.01 -0.00 0.07 -0.03 0.04 0.00 -0.11 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.05 -0.09 -0.00 0.03 -0.00 -0.08 0.00 0.00 0.00 0.01 0.01 -0.04 0.01 -0.00 -0.00 -0.02 -0.03 -0.02 0.00 0.00 0.00 -0.01 -0.01 0.01 0.06 -0.09 0.03 0.04 0.03 0.06 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.01 -0.01 -0.00 -0.14 0.03 0.04 -0.01 0.01 0.01 -0.02 0.18 -0.03 0.00 0.01 -0.00 -0.10 -0.09 0.05 -0.00 -0.01 -0.00 -0.00 0.06 -0.01 -0.01 -0.00 -0.01 0.06 -0.04 0.02 0.03 0.05 0.07 -0.01 -0.02 0.00 0.21 0.02 -0.04 0.04 0.21 0.03 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.09 0.05 0.07 -0.12 -0.02 -0.07 0.00 0.00 -0.00 -0.01 0.02 0.04 -0.01 -0.04 0.03 0.02 -0.03 0.01 -0.28 0.11 -0.19 -0.02 0.46 0.08 -0.00 -0.00 0.00 0.02 0.01 -0.03 0.03 -0.00 0.01 0.02 -0.02 -0.02 -0.21 0.40 0.01 -0.14 0.01 0.32 -0.00 -0.00 -0.01 -0.02 -0.01 0.07 0.13 0.11 -0.01 0.03 0.07 0.04 -0.04 0.10 -0.13 -0.00 -0.00 0.00 0.04 -0.07 0.02 0.02 0.01 0.02 0.00 -0.00 -0.00 -0.00 0.01 0.04 -0.00 0.00 0.00 0.04 -0.01 -0.01 -0.02 0.02 0.01 0.01 -0.05 0.01 0.00 0.01 -0.00 -0.08 -0.07 0.04 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.01 0.00 0.01 -0.07 0.06 -0.03 -0.04 -0.06 -0.10 0.00 0.01 -0.00 -0.05 -0.01 0.03 -0.01 -0.07 -0.03 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.01 -0.02 -0.00 -0.02 0.00 0.00 0.10 -0.06 -0.09 0.15 0.02 0.09 -0.00 -0.00 0.00 0.01 -0.02 -0.04 0.02 0.04 -0.04 -0.02 0.03 -0.01 0.28 -0.11 0.20 0.02 -0.47 -0.08 0.00 0.00 -0.00 -0.03 -0.01 0.05 -0.05 -0.00 -0.01 0.03 -0.03 -0.02 -0.26 0.49 0.01 -0.19 0.01 0.40 0.00 -0.00 -0.01 -0.03 -0.00 0.07 0.03 0.02 -0.00 0.02 0.07 0.04 -0.01 0.02 -0.02 -0.02 -0.04 0.03 -0.01 0.01 -0.00 0.08 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.02 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.11 -0.01 -0.02 -0.00 -0.02 0.21 -0.16 0.09 0.13 0.17 0.29 -0.01 -0.00 -0.00 0.10 0.00 0.01 0.01 0.09 0.01 -0.00 -0.00 0.00 0.02 0.01 -0.05 0.03 0.04 0.00 -0.01 0.00 -0.00 0.06 -0.03 -0.05 0.09 0.01 0.05 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.00 0.12 -0.05 0.09 0.00 -0.21 -0.03 -0.00 -0.00 0.00 0.02 0.01 -0.03 0.03 0.00 0.01 -0.01 0.01 0.01 0.07 -0.14 -0.00 0.06 -0.00 -0.11 -0.00 -0.00 -0.00 0.00 -0.01 0.03 0.43 0.34 -0.04 0.02 0.01 0.01 -0.15 0.35 -0.40 0.00 0.01 -0.00 0.00 -0.00 0.00 0.43 0.24 0.45 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.02 0.00 0.27 -0.05 -0.08 -0.00 0.00 0.00 0.04 -0.37 0.05 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.04 -0.02 -0.04 0.52 -0.05 0.00 0.00 0.00 -0.02 0.02 -0.01 -0.01 -0.02 -0.03 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.03 0.01 -0.04 0.07 -0.01 0.04 0.00 0.00 -0.00 -0.01 0.02 0.02 -0.02 -0.02 0.02 0.00 -0.01 0.00 -0.06 0.02 -0.05 -0.01 0.11 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.08 -0.06 0.01 -0.00 -0.01 -0.00 0.03 -0.07 0.07 -0.00 -0.00 0.00 -0.03 0.04 -0.01 0.02 0.01 0.02 -0.00 0.01 0.00 -0.06 -0.12 -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.11 -0.11 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.05 0.05 -0.02 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 0.03 -0.03 0.02 0.02 0.03 0.04 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.01 0.00 0.01 0.01 -0.01 -0.07 -0.03 0.18 -0.14 -0.15 -0.03 0.01 -0.00 -0.00 -0.04 0.03 0.04 -0.06 -0.01 -0.04 -0.00 0.00 -0.00 0.05 -0.03 -0.03 0.05 0.04 -0.02 0.00 -0.00 0.00 -0.02 0.01 -0.02 0.00 0.04 0.00 0.06 0.01 -0.03 -0.32 -0.13 0.60 -0.57 -0.04 -0.14 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.03 0.03 0.02 -0.01 0.01 0.02 0.01 -0.01 0.03 -0.03 0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.06 -0.03 -0.06 -0.00 0.00 0.00 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.02 -0.02 0.00 -0.00 0.03 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.01 -0.07 0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.03 -0.03 -0.00 0.51 0.06 -0.05 0.08 0.48 0.07 0.00 0.00 -0.00 -0.01 -0.00 0.02 -0.01 -0.01 -0.00 -0.04 0.01 0.00 0.28 -0.17 -0.24 0.42 0.06 0.25 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.03 0.01 0.03 0.00 0.00 -0.00 -0.02 -0.01 0.04 -0.04 -0.01 -0.01 -0.00 0.00 0.00 0.02 -0.04 0.00 0.03 0.00 -0.04 -0.00 0.00 0.01 0.03 0.01 -0.08 -0.11 -0.08 0.01 -0.03 -0.07 -0.04 0.04 -0.11 0.09 -0.00 -0.00 0.00 0.01 -0.02 0.01 -0.04 -0.02 -0.04 -0.00 0.00 0.00 -0.02 -0.04 -0.01 0.00 -0.00 -0.00 -0.02 0.01 0.02 0.04 -0.03 -0.00 -0.00 0.03 -0.01 -0.00 0.00 -0.00 -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.00 -0.01 -0.03 0.02 0.02 0.00 -0.32 -0.03 0.02 -0.04 -0.28 -0.03 0.01 0.01 -0.01 -0.04 -0.02 0.10 -0.07 -0.08 -0.01 -0.04 0.01 0.00 0.24 -0.14 -0.21 0.36 0.05 0.21 0.01 0.00 -0.02 -0.09 0.16 0.22 -0.10 -0.20 0.20 0.00 -0.02 -0.00 -0.11 0.04 -0.09 -0.02 0.22 0.05 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.01 -0.04 -0.01 0.01 0.00 -0.02 0.00 -0.02 -0.03 -0.13 -0.02 0.31 0.06 0.04 -0.01 0.11 0.27 0.15 -0.02 0.06 -0.05 0.00 0.00 -0.00 0.03 -0.04 0.02 0.02 0.01 0.02 -0.00 0.00 0.00 -0.02 -0.04 -0.02 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.03 -0.03 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.04 -0.03 0.03 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.00 0.00 0.01 -0.05 0.04 -0.02 -0.03 -0.04 -0.08 -0.02 -0.01 -0.00 0.23 0.03 -0.01 0.03 0.21 0.03 0.01 0.01 -0.01 -0.05 -0.02 0.12 -0.08 -0.10 -0.02 0.02 -0.00 -0.00 -0.11 0.06 0.09 -0.16 -0.02 -0.09 -0.01 -0.00 0.02 0.05 -0.10 -0.13 0.06 0.12 -0.12 -0.00 0.01 0.00 0.06 -0.02 0.04 0.01 -0.12 -0.03 -0.01 -0.00 0.00 0.05 0.02 -0.09 0.08 0.01 0.02 -0.01 0.01 0.00 0.04 -0.15 -0.01 0.06 0.00 -0.10 0.00 -0.03 -0.04 -0.22 -0.04 0.53 -0.05 -0.03 0.01 0.18 0.46 0.26 0.02 -0.05 0.04 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.01 0.01 0.02 0.02 -0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.19 0.02 -0.01 0.02 0.17 0.02 0.01 0.01 -0.00 -0.04 -0.02 0.09 -0.07 -0.07 -0.01 0.02 -0.00 -0.00 -0.13 0.08 0.12 -0.20 -0.02 -0.12 0.02 0.00 -0.05 -0.20 0.34 0.45 -0.22 -0.40 0.40 -0.01 0.02 -0.00 0.13 -0.06 0.11 0.02 -0.22 -0.05 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.02 -0.03 -0.02 0.00 -0.01 -0.01 -0.01 0.01 -0.04 0.03 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.04 -0.01 0.21 0.39 0.11 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.33 0.31 -0.02 -0.00 0.00 0.00 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 0.03 -0.03 0.02 0.01 0.02 0.04 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.03 0.03 -0.02 -0.19 -0.09 0.48 -0.35 -0.38 -0.07 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.02 0.00 0.01 -0.00 -0.00 0.00 0.02 -0.03 -0.04 0.02 0.04 -0.04 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.02 0.00 -0.01 -0.00 -0.00 0.02 0.01 -0.05 0.06 0.02 0.02 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.04 0.01 -0.09 0.02 0.02 -0.00 -0.03 -0.08 -0.05 -0.01 0.02 -0.02 0.00 0.00 -0.00 0.04 -0.06 0.03 -0.00 -0.00 -0.00 0.01 -0.05 -0.00 0.24 0.43 0.11 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.36 0.35 -0.03 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.08 -0.08 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.03 -0.02 -0.02 -0.02 -0.04 -0.00 -0.00 -0.00 0.04 0.00 -0.00 0.01 0.03 0.01 -0.02 -0.02 0.02 0.15 0.06 -0.35 0.25 0.27 0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.04 0.06 -0.01 -0.05 0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.01 -0.12 -0.03 0.23 -0.22 -0.03 -0.06 -0.00 0.00 0.00 0.04 -0.08 -0.00 0.03 -0.00 -0.06 0.00 -0.01 -0.01 -0.06 -0.01 0.13 -0.01 -0.01 0.00 0.04 0.12 0.06 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.06 0.02 0.00 -0.00 -0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.04 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.03 0.00 -0.01 -0.01 0.00 -0.03 0.22 0.04 0.13 -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 0.01 0.00 0.00 0.01 0.06 -0.06 -0.10 0.00 0.00 -0.00 -0.02 -0.08 0.04 -0.00 0.01 0.01 -0.05 0.01 -0.04 -0.02 -0.06 -0.03 0.74 -0.04 0.57 0.00 0.00 0.00 -0.05 -0.00 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 0.02 -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.02 0.00 0.00 -0.00 0.03 0.02 0.00 0.01 0.00 0.00 -0.01 -0.00 0.01 0.00 -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 -0.00 -0.02 -0.02 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.10 -0.09 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.04 0.01 0.00 -0.06 -0.05 -0.64 0.68 -0.10 -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 0.01 0.01 0.02 -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 -0.00 0.04 -0.00 -0.00 -0.00 0.02 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.05 -0.04 0.16 -0.00 0.02 -0.01 -0.00 -0.00 -0.01 0.06 0.12 0.03 0.00 -0.00 0.01 -0.06 -0.04 0.09 -0.10 -0.05 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.14 -0.07 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.08 -0.07 -0.03 0.03 0.00 -0.01 -0.00 0.00 -0.00 0.04 -0.04 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.14 -0.14 0.02 0.01 -0.00 -0.00 -0.00 0.05 0.01 -0.09 0.01 0.02 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.01 0.01 -0.03 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.08 -0.00 0.06 -0.01 -0.00 -0.01 0.17 0.00 0.10 -0.00 0.00 -0.02 0.02 0.01 -0.05 -0.27 -0.19 0.85 -0.02 0.07 -0.03 -0.00 -0.00 0.00 0.04 0.06 0.01 -0.00 0.00 -0.01 0.01 0.01 -0.02 0.03 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.13 0.49 -0.16 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.05 -0.00 0.01 -0.02 -0.06 0.02 0.00 0.01 0.00 0.74 0.07 -0.24 -0.00 0.00 -0.00 0.03 -0.03 0.01 0.01 -0.03 0.01 0.04 -0.00 0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.02 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.04 0.04 0.06 -0.00 0.01 0.01 0.00 0.02 -0.01 0.04 -0.11 -0.09 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.07 -0.00 0.05 -0.01 -0.00 -0.01 0.19 0.00 0.11 -0.00 0.00 -0.02 -0.00 -0.00 0.01 0.03 0.02 -0.09 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.04 -0.04 0.06 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.01 0.01 0.05 -0.18 0.06 -0.00 0.00 -0.00 0.06 -0.03 0.01 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.17 -0.02 0.05 -0.02 0.02 -0.00 0.26 -0.25 0.05 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.01 0.03 -0.01 -0.00 -0.01 -0.01 -0.00 0.09 0.11 0.07 0.00 -0.01 -0.05 -0.00 0.00 0.00 0.01 0.00 0.01 0.03 -0.03 -0.04 -0.00 -0.00 0.01 0.03 0.12 -0.07 0.03 -0.10 -0.08 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.05 -0.00 -0.02 0.70 0.01 0.41 -0.01 0.01 -0.06 -0.00 -0.00 0.01 0.07 0.05 -0.21 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.01 -0.03 -0.01 -0.02 0.02 -0.03 -0.02 -0.01 0.03 0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.08 -0.02 0.02 -0.02 0.06 -0.02 0.01 0.00 0.00 -0.06 0.03 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.06 -0.05 -0.02 0.03 0.00 -0.01 -0.04 0.04 -0.01 0.63 -0.60 0.13 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.09 -0.10 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.01 0.05 0.06 0.04 0.02 -0.00 -0.11 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.02 0.00 0.00 -0.01 -0.01 -0.06 0.03 -0.02 0.06 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.02 0.00 0.01 -0.33 -0.00 -0.19 0.01 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.00 -0.00 0.01 -0.03 -0.02 0.05 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.18 0.70 -0.23 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.03 0.00 -0.01 0.02 0.05 -0.01 0.00 0.00 0.00 -0.51 -0.05 0.16 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.04 0.01 0.03 -0.01 0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.03 0.22 0.04 0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.02 -0.01 -0.03 -0.11 0.10 0.17 0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.02 0.06 0.04 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.07 0.00 0.04 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.06 0.05 -0.08 -0.00 -0.00 0.00 0.05 0.03 0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.04 -0.16 0.05 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.16 0.02 -0.05 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.04 -0.01 0.00 -0.05 -0.01 -0.11 0.86 0.15 0.08 -0.03 -0.02 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 0.03 -0.01 0.02 -0.04 -0.03 0.01 -0.00 0.01 0.01 0.02 0.01 -0.18 0.01 -0.14 0.00 -0.00 0.00 -0.05 -0.00 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.09 0.09 -0.13 -0.00 -0.00 0.01 0.21 0.11 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.06 -0.22 0.07 -0.00 0.00 -0.00 0.03 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.01 0.03 -0.02 -0.04 -0.04 -0.03 -0.07 -0.42 0.38 0.68 0.01 0.01 -0.01 -0.09 -0.29 0.16 -0.02 0.06 0.04 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.07 -0.01 0.05 -0.00 -0.00 -0.00 0.07 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.02 -0.02 0.03 0.00 0.00 -0.00 -0.03 -0.02 -0.00 -0.02 -0.03 0.01 0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 -0.00 0.00 -0.08 0.05 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.02 0.01 -0.04 -0.00 0.01 0.00 -0.00 0.00 -0.02 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.04 -0.00 0.01 0.01 0.00 0.03 -0.24 -0.04 -0.16 0.03 0.03 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.03 -0.01 -0.15 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.07 0.06 0.11 -0.01 0.02 0.03 0.03 0.12 -0.05 0.16 -0.47 -0.36 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.06 -0.00 0.05 0.01 0.00 0.00 -0.11 -0.00 -0.06 -0.00 -0.01 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.20 0.18 -0.29 -0.00 -0.00 0.01 0.47 0.23 0.07 -0.03 -0.02 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.03 -0.02 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 0.09 0.01 -0.03 0.00 -0.00 0.00 -0.04 0.04 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.04 0.05 -0.00 0.01 0.01 -0.00 0.02 -0.13 -0.02 -0.19 0.03 0.03 -0.01 -0.00 0.01 0.06 0.07 0.05 0.04 -0.01 -0.24 -0.00 0.00 0.01 0.01 0.00 0.01 0.06 -0.06 -0.10 0.01 -0.02 -0.03 -0.06 -0.23 0.12 -0.16 0.47 0.35 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.12 0.00 0.07 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.06 -0.01 -0.04 0.02 -0.04 0.01 0.00 -0.01 0.54 0.27 0.07 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.03 -0.00 0.68 -0.36 0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.14 -0.11 -0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.07 -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 -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.01 -0.01 0.00 0.00 0.02 0.02 0.01 -0.32 -0.39 -0.22 -0.01 0.02 0.11 -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 -0.02 0.01 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.01 0.04 0.03 -0.12 0.00 -0.02 0.01 0.00 0.01 0.00 -0.05 -0.09 -0.02 -0.03 0.03 -0.04 0.01 0.01 -0.02 0.07 0.03 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.06 -0.06 0.01 -0.04 0.02 0.01 0.00 -0.13 -0.02 0.65 -0.11 -0.11 0.00 0.00 0.00 -0.04 -0.04 -0.02 0.01 -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.02 0.05 -0.03 -0.01 0.04 0.03 0.00 -0.00 0.00 0.00 0.01 0.00 -0.05 0.00 -0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.03 -0.02 0.30 0.54 0.14 -0.01 -0.00 -0.00 -0.11 -0.08 0.17 0.20 0.10 0.03 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.04 0.01 -0.00 0.01 0.00 0.07 -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.06 -0.02 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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.12 -0.02 -0.02 -0.01 -0.00 0.02 0.03 0.04 0.03 0.05 -0.01 -0.27 0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.12 0.11 0.20 -0.01 -0.05 0.02 0.20 0.65 -0.37 -0.06 0.15 0.13 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.08 -0.00 0.06 0.01 0.00 0.00 -0.08 -0.00 -0.05 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.01 0.00 0.00 0.01 0.01 -0.10 -0.17 -0.04 0.12 -0.12 0.19 0.09 0.06 -0.15 0.09 0.05 0.01 -0.00 -0.00 0.00 -0.02 -0.00 0.01 0.01 -0.02 0.01 0.01 -0.02 -0.00 -0.24 0.12 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.15 0.14 0.06 0.04 0.00 -0.01 -0.00 0.00 -0.00 0.07 -0.06 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.01 0.02 0.00 -0.38 0.06 0.06 0.02 0.02 -0.02 -0.24 -0.30 -0.17 -0.07 0.03 0.42 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.06 0.05 0.09 -0.00 -0.03 0.00 0.08 0.27 -0.16 -0.06 0.16 0.13 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.07 -0.00 0.05 -0.00 -0.00 -0.00 0.06 -0.00 0.04 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.02 -0.00 0.00 -0.00 -0.02 0.10 0.18 0.04 -0.01 0.01 -0.02 -0.18 -0.11 0.29 0.08 0.04 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.01 0.00 -0.32 0.18 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.07 -0.03 0.03 0.00 -0.01 -0.00 0.00 -0.00 0.09 -0.08 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.09 0.10 -0.01 -0.03 0.01 0.01 0.00 -0.10 -0.02 0.42 -0.07 -0.07 0.02 0.01 -0.01 -0.18 -0.22 -0.13 -0.06 0.02 0.36 -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 -0.04 0.02 -0.02 0.07 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 0.00 -0.03 -0.01 0.00 -0.00 0.09 0.00 0.06 -0.01 -0.00 0.02 0.00 0.00 -0.01 -0.03 -0.03 0.11 0.01 -0.01 -0.00 -0.00 0.01 0.03 -0.18 -0.31 -0.08 -0.09 0.08 -0.13 0.21 0.13 -0.33 0.12 0.06 0.02 0.02 -0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.02 0.00 0.20 -0.10 0.03 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.16 -0.15 -0.06 0.08 0.01 -0.03 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 -0.02 0.02 -0.00 0.00 0.00 0.00 0.01 -0.07 -0.01 -0.05 0.01 0.01 -0.01 -0.02 -0.04 0.30 0.37 0.19 -0.10 0.01 0.45 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.04 0.00 -0.02 -0.00 0.05 0.16 -0.09 -0.05 0.15 0.12 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.00 0.02 0.01 0.00 0.00 -0.08 0.00 -0.05 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.02 0.02 -0.07 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.06 0.11 0.03 -0.26 0.25 -0.39 0.04 0.02 -0.07 -0.07 -0.04 -0.00 0.01 -0.01 0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.03 -0.02 -0.01 0.11 -0.07 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.31 0.31 0.12 0.04 0.01 -0.01 0.00 -0.00 0.00 -0.02 0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.00 -0.02 0.01 0.00 0.00 -0.06 -0.01 0.29 -0.05 -0.05 -0.00 -0.00 0.00 0.05 0.06 0.03 0.01 -0.00 -0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.03 -0.02 -0.02 0.06 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.04 -0.03 0.12 0.01 -0.01 -0.00 0.03 0.04 -0.02 -0.23 -0.43 -0.13 -0.14 0.13 -0.21 -0.26 -0.15 0.45 -0.09 -0.05 -0.01 -0.04 0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.11 -0.06 0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.09 -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 0.01 0.01 0.02 -0.06 0.07 -0.01 -0.00 -0.00 0.00 -0.00 0.02 0.00 0.07 -0.01 -0.01 -0.01 -0.02 -0.04 0.19 0.23 0.11 -0.10 0.01 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.02 -0.05 0.03 0.05 -0.15 -0.12 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.06 0.00 -0.04 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.09 -0.16 -0.05 0.27 -0.27 0.42 -0.09 -0.05 0.16 0.34 0.18 0.04 -0.00 -0.00 -0.00 0.02 0.02 -0.01 -0.00 0.00 -0.00 -0.05 -0.03 -0.01 0.17 -0.12 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.53 0.55 0.21 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.09 -0.08 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 0.01 0.01 -0.00 -0.00 -0.01 0.04 0.05 0.02 -0.02 0.00 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 -0.00 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 -0.04 -0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.03 -0.00 0.01 -0.00 -0.02 -0.02 0.02 0.07 0.14 0.05 0.01 -0.01 0.02 0.24 0.15 -0.42 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 0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 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 0.01 0.01 -0.06 0.05 0.01 -0.00 -0.20 -0.18 0.96 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 0.01 0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.02 -0.05 0.68 0.24 0.68 -0.06 0.03 0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.06 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -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 0.02 0.03 -0.01 -0.05 -0.35 0.90 -0.23 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.06 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.03 0.01 0.08 0.46 -0.09 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 -0.00 -0.04 0.57 0.08 0.66 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.03 0.00 0.00 0.00 -0.00 0.00 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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.02 -0.04 0.02 -0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.02 -0.06 -0.02 0.19 0.92 0.31 0.04 -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.05 0.01 0.14 0.84 -0.18 0.00 0.00 0.00 0.07 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.02 -0.31 -0.04 -0.36 -0.00 -0.00 -0.00 0.01 0.03 0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.05 0.01 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.04 -0.05 0.12 0.64 0.75 -0.05 0.03 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 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 -0.01 -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 0.86 0.40 -0.30 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.01 -0.00 -0.00 0.00 -0.06 -0.02 0.02 0.03 -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 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.01 -0.01 0.02 0.00 0.00 0.00 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 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 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 1 1 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 1.00783 1.00783 252.14791 3805.77158 8745.96225 9305.74181 1.0 3.5E-4 0.00288 -3.7E-4 0.99996 0.00845 -0.00288 -0.00845 0.99996 asymmetric 1 0.02276 0.00990 0.00931 0.47421 0.20635 0.19394 903947.4 23.36 43.35 43.82 53.53 61.68 69.68 75.80 77.54 87.36 97.94 101.80 103.39 107.50 130.73 154.29 214.69 221.70 228.74 249.59 263.11 266.84 269.46 278.59 284.47 285.28 295.56 302.40 318.00 329.59 338.27 342.77 347.27 357.25 359.91 368.48 374.84 385.18 398.31 403.98 420.98 429.44 433.22 467.78 575.85 607.49 629.91 632.57 647.11 662.82 672.23 744.37 754.61 766.10 781.08 796.71 836.71 846.89 862.34 880.26 882.56 891.01 915.42 937.13 949.16 999.44 1007.97 1034.26 1051.37 1089.79 1117.59 1138.21 1156.51 1175.39 1205.67 1232.86 1236.51 1270.41 2302.65 2306.47 2310.37 2313.95 2319.98 2327.96 2339.59 2349.85 2364.72 2374.13 2376.55 2380.08 2383.41 2389.54 4700.96 4735.38 4765.97 4779.42 4797.80 4811.59 4867.92 4891.05 4996.11 5017.99 5027.60 5041.97 5045.03 5065.69 5069.48 5081.65 5092.88 5103.87 5106.79 5131.07 5457.45 5489.18 5506.87 5509.16 5510.74 5511.71 5512.11 5517.34 0.344295 0.379409 0.380353 0.277018 -1070.395540 -1070.360426 -1070.359482 -1070.462817 238.082 119.671 217.486 0.000 0.000 0.000 0.889 2.981 42.475 0.889 2.981 34.093 236.305 113.709 140.919 1 0.593 1.986 7.048 2 0.594 1.984 5.821 3 0.594 1.984 5.799 4 0.594 1.982 5.403 5 0.595 1.980 5.122 6 0.595 1.978 4.880 7 0.596 1.977 4.714 8 0.596 1.976 4.669 9 0.597 1.973 4.434 10 0.598 1.969 4.208 11 0.598 1.968 4.132 12 0.598 1.967 4.102 13 0.599 1.966 4.025 14 0.602 1.956 3.641 15 0.606 1.943 3.318 16 0.618 1.904 2.682 17 0.620 1.898 2.621 18 0.621 1.893 2.562 19 0.627 1.875 2.398 20 0.630 1.863 2.299 21 0.632 1.860 2.273 22 0.632 1.857 2.255 23 0.635 1.849 2.193 24 0.637 1.843 2.154 25 0.637 1.842 2.149 26 0.640 1.832 2.084 27 0.642 1.825 2.042 28 0.648 1.809 1.951 29 0.652 1.797 1.886 30 0.655 1.787 1.840 31 0.656 1.782 1.816 32 0.658 1.777 1.793 33 0.662 1.766 1.743 34 0.663 1.763 1.730 35 0.666 1.752 1.688 36 0.669 1.745 1.658 37 0.673 1.732 1.611 38 0.678 1.716 1.553 39 0.680 1.709 1.529 40 0.688 1.688 1.459 41 0.692 1.677 1.425 42 0.693 1.672 1.411 43 0.709 1.625 1.284 44 0.766 1.470 0.962 45 0.785 1.422 0.884 46 0.798 1.388 0.834 47 0.800 1.384 0.828 48 0.809 1.361 0.796 49 0.819 1.337 0.764 50 0.824 1.323 0.745 51 0.872 1.212 0.616 52 0.879 1.196 0.600 53 0.887 1.178 0.582 54 0.898 1.155 0.559 55 0.909 1.132 0.536 56 0.938 1.071 0.483 57 0.946 1.056 0.470 58 0.957 1.033 0.451 59 0.971 1.007 0.430 60 0.973 1.003 0.427 61 0.979 0.991 0.418 0.881954e+31 30.945446 71.254522 0.889534e+16 15.949163 36.724304 0.100000e+01 0.000000 0.000000 0.157375e+09 8.196937 18.874145 0.630008e+07 6.799346 15.656073 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.6164 -0.8487 -0.5936 1.9197 -91.1097 -80.1698 -116.8847 1.9383 13.0714 4.2621 4.9450 15.8849 -20.8299 1.9383 13.0714 4.2621 -78.7580 36.7813 -46.6656 2.9029 -33.5007 87.4548 -5.0955 -25.2150 -10.7387 5.8221 -4143.2968 -1186.2044 -1278.7372 144.0558 189.9248 -80.5829 69.5459 -44.8570 45.5471 -919.2510 -1136.7131 -408.0680 -91.9776 217.7252 68.3564 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1070.739835 5.203E-9 4.716E-5 0.3442954 0.3794085 -1070.3604265 -1070.3594823 -1070.462817 9.8754198,-16.3894827,6.5140629,-8.3292117,3.5656138,4.0744084 C01 [X(H28O14)] 0.6613723 -0.2969419 -0.2117909 -1.1706426 0.0250757 0.0407031 0.0119594 -0.8934554 -0.1076859 0.0226457 -0.1239022 -1.1920205 0.3806367 0.0604837 -0.014748 0.0505732 0.3455192 0.0084394 -0.0559052 0.0661851 0.3642985 0.3593207 -0.0056254 0.1270523 -0.0129027 0.4363574 -0.076193 0.1574568 -0.0751698 1.0433561 -0.9634914 0.0432081 0.091318 0.0363226 -1.1931353 0.0467475 0.1109949 0.0433272 -1.0075649 0.3680632 -0.0202837 -0.0891959 -0.0032268 0.5722424 0.248366 -0.0518707 0.2249027 0.7440678 -1.031753 -0.0000752 0.1019725 0.0281032 -1.1367381 -0.0323621 0.153654 -0.0737675 -0.8940289 0.3879722 0.0168287 -0.0346909 -0.0053903 0.3890431 -0.0469416 -0.0630261 0.0027074 0.3082271 0.8031896 -0.1034219 0.0426874 -0.1268778 0.4392126 -0.0299431 -0.0099875 -0.0081454 0.3672441 0.5345494 -0.2911482 -0.111154 -0.2708005 0.9511591 0.1367766 -0.0981247 0.1175558 0.3638779 -0.989775 -0.0604371 0.0483796 -0.0583474 -0.9839261 -0.0984983 0.0743079 -0.1472024 -1.0757086 0.3937829 0.0155457 -0.0869855 0.0227287 0.5070138 0.3184334 -0.0742709 0.3103006 0.9280609 -0.6795209 0.1436637 -0.0700204 0.1193618 -1.1090166 -0.03933 -0.042234 -0.0328009 -1.1418737 0.2747923 -0.0050888 0.0428322 0.0065991 0.4257386 0.0130038 -0.0167096 0.0176876 0.3926128 -0.8568396 0.0731999 -0.0434623 0.0579569 -1.1151655 -0.0852439 -0.0753616 -0.1129552 -1.1201379 0.3161139 -0.0353886 0.0199857 -0.0280596 0.4031602 -0.009627 0.0830973 0.0137971 0.3619943 0.3631352 0.0514356 0.1977909 0.0379145 0.5171482 0.2549145 0.1695258 0.256661 1.0028953 -1.1168997 -0.0492186 0.0563472 -0.0502436 -0.9451448 -0.1067808 0.0450854 -0.1188146 -1.2753544 0.6306217 0.0580001 0.3098075 0.085432 0.3763534 0.0267542 0.3445396 0.0069338 0.7640866 0.3714073 -0.0523012 -0.0866426 -0.0981785 0.6651538 0.2548661 -0.1357291 0.2723763 0.6545431 -1.0743882 -0.0533321 0.0563907 -0.0584365 -0.9688842 -0.1013907 0.04033 -0.0914045 -1.1308798 0.8461382 -0.1566155 0.0593161 -0.106698 0.3979004 -0.0053054 0.0537113 -0.0100169 0.416825 0.461861 0.2258422 -0.0828805 0.1667317 0.7032174 -0.1265901 -0.0666223 -0.1291683 0.4799563 -0.8217721 -0.1403869 -0.1952925 -0.1291412 -0.9587304 0.0280278 -0.1964868 0.0417665 -1.056251 0.3576092 -0.0058114 0.0360577 0.0326639 0.3919554 -0.0642653 0.0627203 -0.0395813 0.3566453 0.5088231 0.2520729 0.1386543 0.2082063 0.7733375 0.1552557 0.0994853 0.131308 0.4409126 -1.1782105 0.0829846 0.0133384 0.1056311 -0.9209623 -0.0858755 0.0260013 -0.0581089 -1.1773189 0.4652444 -0.1561501 0.1171867 -0.1255756 0.5431447 -0.1988424 0.1020439 -0.2499362 0.6722579 0.730855 0.2178268 0.1618537 0.1659801 0.4669986 0.1278547 0.1684195 0.1504101 0.5073171 -1.0565473 -0.0600038 0.1535885 -0.0293085 -1.1157842 0.0142331 0.2037554 0.017499 -0.9368636 0.3685933 0.0012023 -0.0122307 -0.0009924 0.4145515 0.0007222 -0.0766219 0.0079679 0.3038874 0.8856412 -0.0015663 -0.4170124 0.0000224 0.4082124 0.0031256 -0.3927986 0.0116366 0.6016819 -1.1969462 0.1390077 0.1209509 0.1337218 -0.8157085 -0.1713399 0.1090894 -0.164759 -1.1540126 0.73011 -0.1866162 -0.3347217 -0.1249338 0.4369733 0.1237929 -0.3321854 0.1793152 0.7203305 0.419674 0.0533075 0.036585 0.0143442 0.3900192 0.0048184 0.0402771 -0.0350614 0.4171781 -1.0482649 0.1001961 0.1053442 0.1099701 -1.1559949 0.140053 0.0886763 0.0804962 -0.8783364 0.4085328 0.0385043 -0.0634787 0.0484252 0.9358701 -0.3324828 -0.0698254 -0.3478684 0.5141391 0.3916576 -0.0183868 -0.0559878 -0.038704 0.3555378 -0.0621353 -0.0303091 -0.0098273 0.335634 -0.970752 0.0793816 -0.1073339 0.0907212 -1.0262003 -0.0244661 -0.0994001 -0.0369983 -1.1749913 0.8445879 -0.0898688 0.108646 -0.144096 0.3867422 -0.0383967 0.1242884 -0.023582 0.4316335 0.4393481 0.0716707 -0.2204735 0.0615383 0.3874423 -0.0316635 -0.1839095 -0.0454315 0.8227133 0.3499072 -0.0312722 -0.014496 0.0211008 0.7890407 -0.1542221 -0.0312268 -0.1665936 0.4852979 0.7636354 -0.2264391 -0.1459814 -0.2040953 0.5298014 0.1233967 -0.1775003 0.1482613 0.4136681 155.962508|-2.8041462|154.6121695|-0.4585127|3.3106695|158.8005023 -0.000007415 -0.000148465 0.000042352 0.000013569 0.000021482 0.000034507 -0.000013102 -0.000018435 0.000023503 -0.000088420 -0.000009539 -0.000101240 0.000122918 -0.000032086 -0.000023436 0.000008402 0.000019203 0.000020912 -0.000006171 0.000002568 -0.000013138 0.000003231 0.000074294 0.000133193 -0.000075046 -0.000031918 -0.000000580 -0.000012728 0.000004931 -0.000048553 -0.000038522 -0.000060160 -0.000007242 0.000011517 0.000001351 -0.000019751 0.000015528 -0.000003427 -0.000042274 0.000026681 -0.000021801 -0.000040253 -0.000026565 -0.000017410 0.000015807 -0.000012936 -0.000014096 0.000083078 -0.000022460 0.000062915 0.000063597 0.000008061 -0.000001477 -0.000027764 0.000045210 -0.000046952 -0.000048440 -0.000027093 0.000032331 -0.000039372 -0.000019537 -0.000011823 0.000039564 0.000031313 0.000037783 -0.000002640 -0.000025375 0.000036396 0.000023967 0.000014511 -0.000000942 -0.000002389 0.000012468 -0.000053193 -0.000028047 0.000025928 -0.000031513 0.000035278 -0.000076969 0.000038496 -0.000054260 0.000021749 0.000001954 -0.000007916 -0.000024692 0.000022317 0.000069510 0.000035908 -0.000018852 -0.000018636 0.000009954 0.000047678 -0.000041662 0.000031343 0.000182620 -0.000026371 0.000008613 -0.000013312 -0.000042209 -0.000016884 -0.000186448 0.000074711 0.000008449 -0.000043492 -0.000033369 0.000023673 0.000039863 0.000001880 0.000020261 -0.000000283 0.000020887 0.000007488 0.000047428 -0.000035640 -0.000034511 0.000021526 -0.000028710 0.000000233 0.000088849 -0.000019740 0.000019044 -0.000064939 0.000070266 0.000002373 0.000046575 0.000000620 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8646,1.6166,.4921;2.7232,-4.3341,-1.7886;-1.5629,3.5367,2.8307;-.5198,-2.9612,-2.1027;-.6481,-2.54,-1.2274;-.159,.9505,3.0353;.432,.5857,3.7055;.4006,-3.2893,-2.0657;-.4981,1.803,3.3989;2.2209,-3.5132,-1.7206;2.2491,-3.2437,-.7714;-1.2217,3.3618,3.7391;-2.0066,3.2547,4.2903;3.0322,.0163,-.2213;3.9188,.3866,-.1307;2.9402,-.2531,-1.1687;-.9989,1.4762,-1.5287;-.3103,1.5232,-.8272;-.7181,.7534,-2.1265;2.0956,-2.4223,.7978;1.1459,-2.1889,.7461;2.5423,-1.5845,.56;-1.9934,3.7371,1.133;-1.1516,3.7275,.659;-2.4559,2.9292,.822;-2.3105,-.5147,2.061;-2.6959,.1256,1.4278;-1.5989,-.0102,2.5087;-3.1003,1.3675,.1593;-3.9544,1.3954,-.289;-2.4137,1.3097,-.5521;-.4965,-1.5078,.2621;-1.1887,-1.2599,.9206;-.1911,-.6576,-.0854;-.1008,-.5219,-3.266;-.3289,-1.4288,-2.9465;-.4104,-.4736,-4.179;2.6332,-.9292,-2.7485;1.7143,-.699,-2.9966;.5501,1.33,1.3732;2.5815,-1.8754,-2.5063;1.6412,1.0567,.2842; Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8646,1.6166,.4921;2.7232,-4.3341,-1.7886;-1.5629,3.5367,2.8307;-.5198,-2.9612,-2.1027;-.6481,-2.54,-1.2274;-.159,.9505,3.0353;.432,.5857,3.7055;.4006,-3.2893,-2.0657;-.4981,1.803,3.3989;2.2209,-3.5132,-1.7206;2.2491,-3.2437,-.7714;-1.2217,3.3618,3.7391;-2.0066,3.2547,4.2903;3.0322,.0163,-.2213;3.9188,.3866,-.1307;2.9402,-.2531,-1.1687;-.9989,1.4762,-1.5287;-.3103,1.5232,-.8272;-.7181,.7534,-2.1265;2.0956,-2.4223,.7978;1.1459,-2.1889,.7461;2.5423,-1.5845,.56;-1.9933,3.7371,1.133;-1.1516,3.7275,.659;-2.4559,2.9292,.822;-2.3105,-.5147,2.061;-2.6959,.1256,1.4278;-1.5989,-.0102,2.5087;-3.1003,1.3675,.1593;-3.9544,1.3954,-.289;-2.4137,1.3097,-.5521;-.4965,-1.5078,.2621;-1.1887,-1.2599,.9206;-.1911,-.6576,-.0854;-.1008,-.5219,-3.266;-.3289,-1.4288,-2.9465;-.4104,-.4736,-4.179;2.6332,-.9292,-2.7485;1.7143,-.699,-2.9966;.5501,1.33,1.3732;2.5815,-1.8754,-2.5063;1.6412,1.0567,.2842; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF377/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 14H2O CONF377 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 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 1 1 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 1.0078250 1.0078250 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 1 1 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 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 490 A 476 A 476 728 490 70 70 1264.9900689725 42 42 42 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) -0.0443623930 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 6.638232 0.000000 3.879207 10.082521 0.000000 5.441091 3.535541 8.224902 0.000000 4.745711 3.859981 7.364154 0.979805 0.000000 2.821201 7.713882 2.949807 6.467673 5.531144 0.000000 3.402260 7.722641 3.667854 6.871786 5.938864 0.965095 0.000000 5.552055 2.561768 8.626937 0.977795 1.537534 6.656529 6.951492 0.000000 3.215750 8.657411 2.112435 7.277743 6.347170 0.986894 1.562323 7.523358 0.000000 5.748900 0.964767 9.204978 2.821676 3.069459 6.943112 7.031596 1.866195 7.865355 0.000000 5.209185 1.564713 8.572057 3.085192 3.016099 6.154797 6.165161 2.256978 7.099862 0.987048 0.000000 4.235666 10.263689 0.986002 8.637062 7.734687 2.727432 3.231448 8.975735 1.751874 9.429953 8.719130 0.000000 5.035219 10.812664 1.551477 9.039843 8.115972 3.209053 3.662253 9.434904 2.275418 9.990330 9.271535 0.965108 0.000000 2.787187 4.634451 6.543892 5.002230 4.592618 4.654264 4.743957 4.610295 5.362974 3.919661 3.397653 6.706139 7.498768 0.000000 3.350948 5.144225 6.981501 5.898942 5.533930 5.193254 5.187840 5.443752 5.828667 4.540820 4.046956 7.088804 7.929783 0.965022 0.000000 3.249895 4.133524 7.115791 4.491947 4.255490 5.359759 5.545454 4.058687 6.075532 3.383838 3.095070 7.380655 8.159386 0.989249 1.563435 0.000000 2.752417 6.905079 4.854656 4.499944 4.042670 4.670321 5.498789 4.995686 4.963723 5.941158 5.779256 5.599476 6.167614 4.482209 5.227316 4.316919 0.000000 1.769044 6.665896 4.359226 4.667033 4.096829 3.907669 4.687737 5.019961 4.239490 5.707051 5.410829 5.006137 5.662539 3.716198 4.434165 3.719823 0.984126 0.000000 3.179191 6.151389 5.747497 3.720035 3.414654 5.195781 5.946693 4.195150 5.628515 5.196804 5.159241 6.439092 7.006589 4.270657 5.061513 3.913259 0.979063 1.564364 0.000000 4.233304 3.276986 7.281902 3.942521 3.412240 4.633026 4.502220 3.438664 5.598721 2.747395 1.777906 7.287677 7.826440 2.804069 3.475064 3.047292 5.494185 4.898541 5.153050 0.000000 3.824283 3.676160 6.668267 3.389152 2.690070 4.098694 4.119031 3.110034 5.067115 2.998932 2.152294 6.735995 7.220308 3.058946 3.884690 3.260843 4.817404 4.286673 4.514850 0.979278 0.000000 3.614760 3.620593 6.945207 4.285054 3.779790 4.455419 4.365508 3.793099 5.364621 3.004009 2.147472 6.981430 7.617497 1.847506 2.501425 2.217995 5.125500 4.440710 4.828489 0.978746 1.532929 0.000000 3.615977 9.794169 1.762789 7.583469 6.839822 3.840441 4.736151 8.082920 3.333278 8.858315 8.387913 2.743673 3.193982 6.398039 6.912034 6.749735 3.631185 3.402417 4.599249 7.400657 6.717331 7.015762 0.000000 2.923808 9.273245 2.218466 7.263943 6.564526 3.787313 4.653944 7.685617 3.411391 8.334450 7.887202 3.102467 3.760462 5.661414 6.123183 5.993941 3.142880 2.788410 4.097798 6.955754 6.347408 6.470876 0.966122 0.000000 3.585757 9.294831 2.280623 6.855640 6.113944 3.753680 4.706002 7.427565 3.426619 8.357146 7.923452 3.196809 3.512420 6.300262 6.928884 6.573242 3.124110 3.049669 4.055578 7.025323 6.258935 6.739834 0.981536 1.537912 0.000000 4.133362 7.398970 4.191111 5.150561 4.204611 2.779401 3.381774 5.663723 3.232077 6.619998 6.021587 4.362169 4.389840 5.834004 6.664810 6.169976 4.309273 4.061502 4.656092 4.964637 4.059386 5.191083 4.363479 4.615735 3.662930 0.000000 3.971797 7.720074 3.858450 5.169888 4.283494 3.114555 3.896552 5.783912 3.395447 6.879461 6.375014 4.241249 4.296592 5.961754 6.800773 6.216888 3.666678 3.567828 4.115657 5.463160 4.536601 5.578192 3.691037 3.993704 2.878370 0.979529 0.000000 3.575132 7.472827 3.561680 5.580126 4.611096 1.809316 2.431447 5.972890 2.300392 6.689421 6.001805 3.609195 3.741651 5.375967 6.129330 5.846810 4.343928 3.891025 4.779550 4.732256 3.922706 4.840019 4.011298 4.194247 3.495658 0.980463 1.546007 0.000000 3.986564 8.379438 3.768963 5.523902 4.817098 4.134806 5.065914 6.236400 4.178007 7.461220 7.123553 4.507850 4.671507 6.291111 7.093182 6.393469 2.697562 2.963350 3.358050 6.462737 5.569789 6.380768 2.790765 3.101055 1.814727 2.789838 1.820737 3.109975 0.000000 4.886925 8.925569 4.476292 5.836624 5.224856 5.065027 5.987661 6.638458 5.070774 8.017347 7.761258 5.249747 5.312382 7.121799 7.939167 7.143297 3.206054 3.685932 3.776540 7.235890 6.319171 7.197831 3.369260 3.767460 2.415083 3.445796 2.478643 3.918061 0.965071 0.000000 3.454275 7.730991 4.138497 4.922555 4.288693 4.252402 5.172009 5.600154 4.418566 6.790037 6.520952 4.903737 5.234368 5.607202 6.413297 5.611266 1.727180 2.132100 2.379710 6.006954 5.157166 5.846015 2.984823 2.984283 2.124409 3.188674 2.324174 3.431438 0.990363 1.565376 0.000000 3.415671 4.749686 5.760350 2.775816 1.818524 3.721272 4.135432 3.065467 4.560787 3.916204 3.408756 6.027254 6.417810 3.874075 4.820532 3.928344 3.516130 3.226177 3.296615 2.800366 1.842725 3.054351 5.523415 5.290992 4.882612 2.740963 2.977235 2.916389 3.880416 4.548556 3.503817 0.000000 3.559994 5.665009 5.176531 3.532944 2.558204 3.227773 3.713330 3.944821 4.000073 4.865964 4.314632 5.413440 5.692657 4.555077 5.468295 4.735597 3.677107 3.401806 3.682363 3.486003 2.518658 3.762404 5.065904 4.994420 4.377765 1.764787 2.109166 2.062122 3.337274 4.020348 3.205077 0.986973 0.000000 2.572871 4.991047 5.289354 3.079642 2.248657 3.510827 4.037931 3.346289 4.276569 4.079943 3.621204 5.643034 6.144015 3.295841 4.240701 3.337951 2.699707 2.306597 2.536709 3.020449 2.196344 2.957619 4.903678 4.550317 4.337968 3.019813 3.029333 3.021648 3.553046 4.291705 3.004651 0.967905 1.539457 0.000000 4.430358 4.968940 7.468497 2.734825 2.920280 6.471287 7.078966 3.057946 7.069883 4.089810 4.376420 8.087605 8.659791 4.401782 5.178068 3.703822 2.795860 3.189671 1.818197 4.995010 4.519935 4.770077 6.408723 5.879325 5.845346 5.767096 5.402286 5.987722 4.929387 5.233414 4.008592 3.684528 4.388073 3.184738 0.000000 4.745862 4.369956 7.717201 1.759767 2.071700 6.439938 6.991912 2.183946 7.123052 3.514124 3.830258 8.273094 8.781924 4.562113 5.409972 3.902568 3.301239 3.634106 2.363518 4.570059 4.048240 4.534786 6.789709 6.345411 6.141552 5.462392 5.210873 5.777971 5.014586 5.308765 4.192702 3.213969 3.965113 2.966465 0.988257 0.000000 5.273905 5.516947 8.157593 3.242131 3.610868 7.357863 7.999832 3.612807 7.912994 4.712418 5.134009 8.835396 9.390305 5.268363 5.989246 4.509679 3.342488 3.902856 2.411038 5.903089 5.442520 5.693109 6.960864 6.450193 6.385416 6.523027 6.084274 6.808287 5.426403 5.584387 4.510804 4.560741 5.218207 4.103616 0.965332 1.561442 0.000000 4.484430 3.538759 8.287193 3.806240 3.959209 6.691908 6.985247 3.319812 7.420240 2.811367 3.068127 8.681026 9.411527 2.727606 3.199497 1.745580 4.523862 4.285962 3.801225 3.885186 4.001342 3.373993 7.631837 6.900687 7.316722 6.909605 6.852167 6.811226 6.826578 7.406027 5.942003 4.380984 5.308262 3.891304 2.812188 3.010473 3.393760 0.000000 4.272642 3.961148 7.914473 3.302725 3.478580 6.528007 6.943592 3.049986 7.215123 3.131219 3.422424 8.395231 9.087191 3.154547 3.775162 2.245647 3.774630 3.707285 2.963723 4.184853 4.068264 3.757597 7.104950 6.416463 6.718424 6.466291 6.301208 6.462254 6.116434 6.622145 5.201072 4.020085 4.907795 3.479611 1.843545 2.170257 2.442021 0.979204 0.000000 0.978368 6.841139 3.385033 5.625038 4.814119 1.846526 2.451050 5.760771 2.329401 5.984939 5.329628 3.586743 4.330232 3.229402 3.807831 3.831388 3.292631 2.370462 3.766792 4.098684 3.623695 3.622834 3.510123 3.025467 3.449271 3.472643 3.462669 2.775593 3.847094 4.801885 3.534357 3.222270 3.152172 2.574381 5.037340 5.200374 5.916298 5.141111 4.956580 0.000000 4.912427 2.565216 8.657349 3.310600 3.536655 6.797459 7.018807 2.636284 7.608279 1.851997 2.234424 8.994250 9.672766 3.000483 3.542350 2.132992 5.000780 4.767848 4.235877 3.384153 3.568914 3.080311 8.103956 7.439553 7.716059 6.829592 6.879787 6.790060 7.064303 7.637604 6.238236 4.156099 5.131894 3.877005 3.099036 2.977238 3.703352 0.978072 1.541518 5.426916 0.000000 0.979739 5.875967 4.785548 5.148800 4.523449 3.289512 3.659158 5.093958 3.851675 5.023787 4.469559 5.044413 5.846982 1.809064 2.410070 2.348065 3.229917 2.293682 3.386708 3.545870 3.315467 2.804291 4.595155 3.882439 4.536768 4.608927 4.580928 4.072469 4.753281 5.635113 4.148003 3.338632 3.712108 2.536238 4.257901 4.527296 5.144988 3.758234 3.721744 1.565614 4.155425 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9318,-.7049,-1.4847;-5.2129,-1.1509,.9871;4.7141,-.4935,-.6495;-2.9283,1.456,1.6833;-2.084,.9674,1.7757;2.4458,-1.9564,.5404;2.3063,-2.8926,.729;-3.5659,.7627,1.4208;3.3822,-1.8702,.2412;-4.3892,-.7449,.6915;-3.678,-1.4141,.8353;4.9574,-1.4073,-.3702;5.5805,-1.2943,.3581;-1.5787,-1.8749,-1.7961;-1.7069,-2.4845,-2.5332;-2.2582,-1.164,-1.9034;.5701,1.9957,-1.0951;.6745,1.0299,-1.2526;-.3872,2.1373,-.9469;-2.1573,-2.3322,.9092;-1.5768,-1.622,1.2523;-1.9539,-2.3407,-.0481;4.0763,1.0566,-1.195;3.3931,.8326,-1.8403;3.5844,1.4783,-.4577;1.9474,-.0104,2.4613;2.1919,.7999,1.9683;2.1976,-.7422,1.8586;2.4782,2.1699,.8037;2.6486,3.0741,1.0948;1.7009,2.2157,.1917;-.6161,-.068,1.4928;.2592,-.0445,1.9482;-.3997,.1,.5644;-2.1837,2.3664,-.7858;-2.4909,2.1587,.1303;-2.5287,3.2442,-.9914;-3.4677,.0924,-1.8292;-3.0172,.9239,-1.5751;1.4001,-1.1735,-.7647;-3.9301,-.1837,-1.0127;.0686,-1.1568,-1.5882; 0.4742116 0.2063514 0.1939385 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= 476 RedAO= T EigKep= 1.80D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 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= 484 484 484 484 484 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.73983499870 -1070.73983500 1 1.067071752565e+03 -5.060609230373e+03 1.657837893064e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 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. PT183.100S Tue Nov 5 07:45:23 2024 -19.12900 -19.12864 -19.12836 -19.12809 -19.12807 -19.12629 -19.12513 -19.12377 -19.11574 -19.11509 -19.11443 -19.11255 -19.11250 -19.11027 -1.02897 -1.02558 -1.02052 -1.01914 -1.01836 -1.01629 -1.01207 -1.00403 -1.00215 -1.00036 -0.99986 -0.99504 -0.98994 -0.98845 -0.54329 -0.54219 -0.54194 -0.53864 -0.53731 -0.53307 -0.53096 -0.52899 -0.52588 -0.52416 -0.52217 -0.52097 -0.51970 -0.51904 -0.44213 -0.43518 -0.43419 -0.42232 -0.42059 -0.40911 -0.40553 -0.39620 -0.39348 -0.39267 -0.38260 -0.38118 -0.37346 -0.36341 -0.33051 -0.32966 -0.32819 -0.32774 -0.32708 -0.32612 -0.32416 -0.32077 -0.31900 -0.31798 -0.31691 -0.31657 -0.31309 -0.31062 -0.00243 0.02104 0.03823 0.04815 0.05192 0.05700 0.07067 0.07840 0.08926 0.09208 0.09607 0.10742 0.11026 0.11236 0.11872 0.12458 0.12824 0.13144 0.14111 0.14341 0.15016 0.15194 0.15450 0.16192 0.16282 0.17170 0.17283 0.17679 0.18282 0.18671 0.19185 0.19429 0.19994 0.20213 0.20307 0.21086 0.21480 0.21798 0.22417 0.22853 0.23050 0.23990 0.24255 0.24402 0.24679 0.25022 0.25409 0.25875 0.25975 0.26322 0.26625 0.27139 0.27231 0.27605 0.28008 0.28268 0.28499 0.28658 0.29110 0.29690 0.29939 0.30092 0.30708 0.30830 0.31331 0.32287 0.32610 0.33226 0.35846 0.36000 0.37474 0.39360 0.41586 0.43702 0.43927 0.45959 0.46062 0.46721 0.47747 0.47949 0.48647 0.49930 0.50503 0.52110 0.52846 0.53588 0.54094 0.54575 0.54895 0.55478 0.55856 0.56807 0.57239 0.57959 0.58440 0.58796 0.60077 0.60790 0.61746 0.61989 0.63319 0.64023 0.64679 0.65681 0.66162 0.67417 0.67850 0.68758 0.70169 0.70195 0.71647 0.72701 0.94023 0.94519 0.95393 0.95511 0.96724 0.96914 0.97049 0.98121 0.99119 0.99450 1.00112 1.01145 1.01451 1.01789 1.02785 1.03097 1.03513 1.04279 1.05332 1.06156 1.06638 1.07145 1.07480 1.08104 1.08363 1.08698 1.09619 1.10305 1.10796 1.11658 1.12258 1.12617 1.13212 1.14191 1.14402 1.15108 1.15693 1.16521 1.17548 1.18620 1.20163 1.20471 1.22690 1.24384 1.25212 1.26680 1.27322 1.27905 1.28604 1.30047 1.30293 1.30725 1.30964 1.31362 1.32114 1.33249 1.33698 1.34105 1.35680 1.36484 1.37649 1.38040 1.38329 1.39578 1.40044 1.40610 1.41635 1.42106 1.43153 1.43754 1.45096 1.46140 1.47227 1.48936 1.49311 1.50027 1.50281 1.51719 1.51819 1.53028 1.54734 1.55316 1.56482 1.56794 1.58147 1.59357 1.60521 1.61724 1.62547 1.63405 1.64397 1.65399 1.65760 1.67377 1.68690 1.69168 1.70432 1.71478 1.72892 1.73540 1.74793 1.75788 1.76511 1.78587 1.79331 1.80718 1.81778 1.82469 1.83200 1.85902 1.86447 1.88738 2.01860 2.03476 2.03748 2.04363 2.05356 2.05814 2.07240 2.18220 2.19316 2.24152 2.24799 2.26827 2.28718 2.29561 2.30006 2.30758 2.32479 2.32771 2.34584 2.34794 2.35187 2.37798 2.39807 2.42888 2.43344 2.44940 2.45353 2.47737 2.53021 2.56836 2.57777 2.58481 2.59078 2.60218 2.62964 2.65227 2.67571 2.69487 2.69919 2.70165 2.70860 2.72149 2.72427 2.74730 2.75092 2.75621 2.77338 2.78044 2.79261 2.80536 2.82382 2.84573 2.84714 2.86705 2.87314 2.89229 3.06465 3.06971 3.07537 3.08633 3.08898 3.09428 3.10260 3.10566 3.10994 3.11470 3.11645 3.12295 3.12428 3.13187 3.13840 3.14494 3.15145 3.15375 3.15773 3.15974 3.16408 3.16830 3.17124 3.17479 3.17872 3.19371 3.21003 3.21377 3.29612 3.30445 3.30587 3.31407 3.32470 3.32671 3.33185 3.34009 3.34856 3.35434 3.36248 3.37727 3.38832 3.40704 3.68289 3.68604 3.69927 3.71152 3.71588 3.72154 3.72638 3.73407 3.73524 3.74464 3.75111 3.76439 3.77195 3.79819 3.89016 3.91093 3.92000 3.92362 3.92623 3.93613 3.94269 3.94491 3.95013 3.95822 3.96248 3.97034 3.98048 3.99911 5.00494 5.01357 5.01587 5.02334 5.03652 5.03989 5.04755 5.05071 5.05243 5.06579 5.07548 5.07955 5.09097 5.11390 5.37771 5.38319 5.40423 5.41010 5.42019 5.43435 5.44171 5.45228 5.46253 5.47326 5.48471 5.50797 5.52464 5.53634 5.65169 5.65826 5.66150 5.67048 5.67421 5.67676 5.68224 5.69357 5.71317 5.71935 5.72496 5.75019 5.76584 5.78758 49.87338 49.89744 49.90679 49.91334 49.91855 49.92129 49.92284 49.93204 49.93432 49.93588 49.94943 49.96209 49.96617 49.97798 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 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 H H -0.814379 0.359506 0.416676 -0.726799 0.368287 -0.760637 0.335539 0.367859 0.440494 -0.771282 0.390515 -0.750098 0.320015 -0.780729 0.339987 0.421408 -0.822618 0.375589 0.438637 -0.714648 0.357204 0.367517 -0.661425 0.303404 0.372577 -0.755301 0.385983 0.371094 -0.740050 0.340116 0.405959 -0.760610 0.445328 0.328234 -0.774921 0.411186 0.337100 -0.746629 0.388118 0.371148 0.373143 0.447505 -0.00000 -1.6164 -0.8487 -0.5936 1.9197 -91.1097 -80.1698 -116.8846 1.9383 13.0714 4.2621 4.9450 15.8849 -20.8299 1.9383 13.0714 4.2621 -78.7584 36.7814 -46.6656 2.9027 -33.5007 87.4547 -5.0956 -25.2150 -10.7387 5.8222 -4143.2976 -1186.2047 -1278.7372 144.0563 189.9244 -80.5826 69.5460 -44.8571 45.5473 -919.2510 -1136.7131 -408.0681 -91.9776 217.7250 68.3565 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GASCONES LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF377 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.739835 RMSD=7.907e-09 Dipole=0.6613732,-0.2969434,-0.2117882 Quadrupole=9.8754262,-16.3894774,6.5140512,-8.329219,3.5656094,4.0743861 PG=C01 [X(H28O14)] 0 0.8645736802 1.616553131 0.4921484027 0 2.7231752175 -4.3340642154 -1.788613409 0 -1.5628809481 3.5367147548 2.8306712288 0 -0.5197739265 -2.9612189158 -2.1026641266 0 -0.6481304915 -2.5399666279 -1.2273991495 0 -0.1589876024 0.9504910936 3.035346403 0 0.4319854043 0.5857263929 3.7055007773 0 0.4005824268 -3.2893296191 -2.0656509568 0 -0.498138692 1.8029896116 3.3989169197 0 2.220879868 -3.5131849519 -1.7205590054 0 2.2490536851 -3.2437145804 -0.7714244257 0 -1.2217025824 3.3617747956 3.739072555 0 -2.0065977481 3.2546888608 4.2903481138 0 3.0322389494 0.0163480718 -0.2212808629 0 3.918783196 0.3866162272 -0.1306789637 0 2.9401555485 -0.2530578619 -1.1686747278 0 -0.9988732004 1.4761760988 -1.5286587229 0 -0.3102610102 1.5232419123 -0.8271595513 0 -0.7181385256 0.7534473884 -2.1265008374 0 2.0955721216 -2.4222650449 0.7978470061 0 1.1459149608 -2.1889037956 0.7460836251 0 2.5423380274 -1.5845388678 0.5600245256 0 -1.9933500931 3.7371246891 1.1330387435 0 -1.1515550424 3.7274835329 0.6590341622 0 -2.4559282454 2.9292231625 0.8220242051 0 -2.3104788805 -0.5147241796 2.0610267456 0 -2.6958614748 0.1255671695 1.4277939383 0 -1.5989013286 -0.0102009519 2.5087116818 0 -3.1002586829 1.367533262 0.1593040742 0 -3.9544474475 1.3953523691 -0.2889701911 0 -2.4137330276 1.309651849 -0.5521385709 0 -0.4964791521 -1.5077736714 0.262100018 0 -1.1886579044 -1.2599460635 0.920572672 0 -0.1911016587 -0.6575759282 -0.0853894141 0 -0.100810453 -0.521854699 -3.2659523047 0 -0.3289220977 -1.4288188346 -2.9465265262 0 -0.410435855 -0.4735977301 -4.1790071013 0 2.6331804721 -0.9291531212 -2.7484563099 0 1.714330749 -0.6990083752 -2.996627386 0 0.5501138461 1.3300346307 1.3731854465 0 2.5815289255 -1.8753589725 -2.5062766604 0 1.6412016768 1.0566553086 0.284176801 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8646,1.6166,.4921;2.7232,-4.3341,-1.7886;-1.5629,3.5367,2.8307;-.5198,-2.9612,-2.1027;-.6481,-2.54,-1.2274;-.159,.9505,3.0353;.432,.5857,3.7055;.4006,-3.2893,-2.0657;-.4981,1.803,3.3989;2.2209,-3.5132,-1.7206;2.2491,-3.2437,-.7714;-1.2217,3.3618,3.7391;-2.0066,3.2547,4.2903;3.0322,.0163,-.2213;3.9188,.3866,-.1307;2.9402,-.2531,-1.1687;-.9989,1.4762,-1.5287;-.3103,1.5232,-.8272;-.7181,.7534,-2.1265;2.0956,-2.4223,.7978;1.1459,-2.1889,.7461;2.5423,-1.5845,.56;-1.9933,3.7371,1.133;-1.1516,3.7275,.659;-2.4559,2.9292,.822;-2.3105,-.5147,2.061;-2.6959,.1256,1.4278;-1.5989,-.0102,2.5087;-3.1003,1.3675,.1593;-3.9544,1.3954,-.289;-2.4137,1.3097,-.5521;-.4965,-1.5078,.2621;-1.1887,-1.2599,.9206;-.1911,-.6576,-.0854;-.1008,-.5219,-3.266;-.3289,-1.4288,-2.9465;-.4104,-.4736,-4.179;2.6332,-.9292,-2.7485;1.7143,-.699,-2.9966;.5501,1.33,1.3732;2.5815,-1.8754,-2.5063;1.6412,1.0567,.2842; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF377/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 14H2O CONF377 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 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 1 1 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 1.0078250 1.0078250 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 1 1 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 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 490 A 476 A 476 728 490 70 70 1264.9900689725 42 42 42 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) -0.0443623930 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 6.638232 0.000000 3.879207 10.082521 0.000000 5.441091 3.535541 8.224902 0.000000 4.745711 3.859981 7.364154 0.979805 0.000000 2.821201 7.713882 2.949807 6.467673 5.531144 0.000000 3.402260 7.722641 3.667854 6.871786 5.938864 0.965095 0.000000 5.552055 2.561768 8.626937 0.977795 1.537534 6.656529 6.951492 0.000000 3.215750 8.657411 2.112435 7.277743 6.347170 0.986894 1.562323 7.523358 0.000000 5.748900 0.964767 9.204978 2.821676 3.069459 6.943112 7.031596 1.866195 7.865355 0.000000 5.209185 1.564713 8.572057 3.085192 3.016099 6.154797 6.165161 2.256978 7.099862 0.987048 0.000000 4.235666 10.263689 0.986002 8.637062 7.734687 2.727432 3.231448 8.975735 1.751874 9.429953 8.719130 0.000000 5.035219 10.812664 1.551477 9.039843 8.115972 3.209053 3.662253 9.434904 2.275418 9.990330 9.271535 0.965108 0.000000 2.787187 4.634451 6.543892 5.002230 4.592618 4.654264 4.743957 4.610295 5.362974 3.919661 3.397653 6.706139 7.498768 0.000000 3.350948 5.144225 6.981501 5.898942 5.533930 5.193254 5.187840 5.443752 5.828667 4.540820 4.046956 7.088804 7.929783 0.965022 0.000000 3.249895 4.133524 7.115791 4.491947 4.255490 5.359759 5.545454 4.058687 6.075532 3.383838 3.095070 7.380655 8.159386 0.989249 1.563435 0.000000 2.752417 6.905079 4.854656 4.499944 4.042670 4.670321 5.498789 4.995686 4.963723 5.941158 5.779256 5.599476 6.167614 4.482209 5.227316 4.316919 0.000000 1.769044 6.665896 4.359226 4.667033 4.096829 3.907669 4.687737 5.019961 4.239490 5.707051 5.410829 5.006137 5.662539 3.716198 4.434165 3.719823 0.984126 0.000000 3.179191 6.151389 5.747497 3.720035 3.414654 5.195781 5.946693 4.195150 5.628515 5.196804 5.159241 6.439092 7.006589 4.270657 5.061513 3.913259 0.979063 1.564364 0.000000 4.233304 3.276986 7.281902 3.942521 3.412240 4.633026 4.502220 3.438664 5.598721 2.747395 1.777906 7.287677 7.826440 2.804069 3.475064 3.047292 5.494185 4.898541 5.153050 0.000000 3.824283 3.676160 6.668267 3.389152 2.690070 4.098694 4.119031 3.110034 5.067115 2.998932 2.152294 6.735995 7.220308 3.058946 3.884690 3.260843 4.817404 4.286673 4.514850 0.979278 0.000000 3.614760 3.620593 6.945207 4.285054 3.779790 4.455419 4.365508 3.793099 5.364621 3.004009 2.147472 6.981430 7.617497 1.847506 2.501425 2.217995 5.125500 4.440710 4.828489 0.978746 1.532929 0.000000 3.615977 9.794169 1.762789 7.583469 6.839822 3.840441 4.736151 8.082920 3.333278 8.858315 8.387913 2.743673 3.193982 6.398039 6.912034 6.749735 3.631185 3.402417 4.599249 7.400657 6.717331 7.015762 0.000000 2.923808 9.273245 2.218466 7.263943 6.564526 3.787313 4.653944 7.685617 3.411391 8.334450 7.887202 3.102467 3.760462 5.661414 6.123183 5.993941 3.142880 2.788410 4.097798 6.955754 6.347408 6.470876 0.966122 0.000000 3.585757 9.294831 2.280623 6.855640 6.113944 3.753680 4.706002 7.427565 3.426619 8.357146 7.923452 3.196809 3.512420 6.300262 6.928884 6.573242 3.124110 3.049669 4.055578 7.025323 6.258935 6.739834 0.981536 1.537912 0.000000 4.133362 7.398970 4.191111 5.150561 4.204611 2.779401 3.381774 5.663723 3.232077 6.619998 6.021587 4.362169 4.389840 5.834004 6.664810 6.169976 4.309273 4.061502 4.656092 4.964637 4.059386 5.191083 4.363479 4.615735 3.662930 0.000000 3.971797 7.720074 3.858450 5.169888 4.283494 3.114555 3.896552 5.783912 3.395447 6.879461 6.375014 4.241249 4.296592 5.961754 6.800773 6.216888 3.666678 3.567828 4.115657 5.463160 4.536601 5.578192 3.691037 3.993704 2.878370 0.979529 0.000000 3.575132 7.472827 3.561680 5.580126 4.611096 1.809316 2.431447 5.972890 2.300392 6.689421 6.001805 3.609195 3.741651 5.375967 6.129330 5.846810 4.343928 3.891025 4.779550 4.732256 3.922706 4.840019 4.011298 4.194247 3.495658 0.980463 1.546007 0.000000 3.986564 8.379438 3.768963 5.523902 4.817098 4.134806 5.065914 6.236400 4.178007 7.461220 7.123553 4.507850 4.671507 6.291111 7.093182 6.393469 2.697562 2.963350 3.358050 6.462737 5.569789 6.380768 2.790765 3.101055 1.814727 2.789838 1.820737 3.109975 0.000000 4.886925 8.925569 4.476292 5.836624 5.224856 5.065027 5.987661 6.638458 5.070774 8.017347 7.761258 5.249747 5.312382 7.121799 7.939167 7.143297 3.206054 3.685932 3.776540 7.235890 6.319171 7.197831 3.369260 3.767460 2.415083 3.445796 2.478643 3.918061 0.965071 0.000000 3.454275 7.730991 4.138497 4.922555 4.288693 4.252402 5.172009 5.600154 4.418566 6.790037 6.520952 4.903737 5.234368 5.607202 6.413297 5.611266 1.727180 2.132100 2.379710 6.006954 5.157166 5.846015 2.984823 2.984283 2.124409 3.188674 2.324174 3.431438 0.990363 1.565376 0.000000 3.415671 4.749686 5.760350 2.775816 1.818524 3.721272 4.135432 3.065467 4.560787 3.916204 3.408756 6.027254 6.417810 3.874075 4.820532 3.928344 3.516130 3.226177 3.296615 2.800366 1.842725 3.054351 5.523415 5.290992 4.882612 2.740963 2.977235 2.916389 3.880416 4.548556 3.503817 0.000000 3.559994 5.665009 5.176531 3.532944 2.558204 3.227773 3.713330 3.944821 4.000073 4.865964 4.314632 5.413440 5.692657 4.555077 5.468295 4.735597 3.677107 3.401806 3.682363 3.486003 2.518658 3.762404 5.065904 4.994420 4.377765 1.764787 2.109166 2.062122 3.337274 4.020348 3.205077 0.986973 0.000000 2.572871 4.991047 5.289354 3.079642 2.248657 3.510827 4.037931 3.346289 4.276569 4.079943 3.621204 5.643034 6.144015 3.295841 4.240701 3.337951 2.699707 2.306597 2.536709 3.020449 2.196344 2.957619 4.903678 4.550317 4.337968 3.019813 3.029333 3.021648 3.553046 4.291705 3.004651 0.967905 1.539457 0.000000 4.430358 4.968940 7.468497 2.734825 2.920280 6.471287 7.078966 3.057946 7.069883 4.089810 4.376420 8.087605 8.659791 4.401782 5.178068 3.703822 2.795860 3.189671 1.818197 4.995010 4.519935 4.770077 6.408723 5.879325 5.845346 5.767096 5.402286 5.987722 4.929387 5.233414 4.008592 3.684528 4.388073 3.184738 0.000000 4.745862 4.369956 7.717201 1.759767 2.071700 6.439938 6.991912 2.183946 7.123052 3.514124 3.830258 8.273094 8.781924 4.562113 5.409972 3.902568 3.301239 3.634106 2.363518 4.570059 4.048240 4.534786 6.789709 6.345411 6.141552 5.462392 5.210873 5.777971 5.014586 5.308765 4.192702 3.213969 3.965113 2.966465 0.988257 0.000000 5.273905 5.516947 8.157593 3.242131 3.610868 7.357863 7.999832 3.612807 7.912994 4.712418 5.134009 8.835396 9.390305 5.268363 5.989246 4.509679 3.342488 3.902856 2.411038 5.903089 5.442520 5.693109 6.960864 6.450193 6.385416 6.523027 6.084274 6.808287 5.426403 5.584387 4.510804 4.560741 5.218207 4.103616 0.965332 1.561442 0.000000 4.484430 3.538759 8.287193 3.806240 3.959209 6.691908 6.985247 3.319812 7.420240 2.811367 3.068127 8.681026 9.411527 2.727606 3.199497 1.745580 4.523862 4.285962 3.801225 3.885186 4.001342 3.373993 7.631837 6.900687 7.316722 6.909605 6.852167 6.811226 6.826578 7.406027 5.942003 4.380984 5.308262 3.891304 2.812188 3.010473 3.393760 0.000000 4.272642 3.961148 7.914473 3.302725 3.478580 6.528007 6.943592 3.049986 7.215123 3.131219 3.422424 8.395231 9.087191 3.154547 3.775162 2.245647 3.774630 3.707285 2.963723 4.184853 4.068264 3.757597 7.104950 6.416463 6.718424 6.466291 6.301208 6.462254 6.116434 6.622145 5.201072 4.020085 4.907795 3.479611 1.843545 2.170257 2.442021 0.979204 0.000000 0.978368 6.841139 3.385033 5.625038 4.814119 1.846526 2.451050 5.760771 2.329401 5.984939 5.329628 3.586743 4.330232 3.229402 3.807831 3.831388 3.292631 2.370462 3.766792 4.098684 3.623695 3.622834 3.510123 3.025467 3.449271 3.472643 3.462669 2.775593 3.847094 4.801885 3.534357 3.222270 3.152172 2.574381 5.037340 5.200374 5.916298 5.141111 4.956580 0.000000 4.912427 2.565216 8.657349 3.310600 3.536655 6.797459 7.018807 2.636284 7.608279 1.851997 2.234424 8.994250 9.672766 3.000483 3.542350 2.132992 5.000780 4.767848 4.235877 3.384153 3.568914 3.080311 8.103956 7.439553 7.716059 6.829592 6.879787 6.790060 7.064303 7.637604 6.238236 4.156099 5.131894 3.877005 3.099036 2.977238 3.703352 0.978072 1.541518 5.426916 0.000000 0.979739 5.875967 4.785548 5.148800 4.523449 3.289512 3.659158 5.093958 3.851675 5.023787 4.469559 5.044413 5.846982 1.809064 2.410070 2.348065 3.229917 2.293682 3.386708 3.545870 3.315467 2.804291 4.595155 3.882439 4.536768 4.608927 4.580928 4.072469 4.753281 5.635113 4.148003 3.338632 3.712108 2.536238 4.257901 4.527296 5.144988 3.758234 3.721744 1.565614 4.155425 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9318,-.7049,-1.4847;-5.2129,-1.1509,.9871;4.7141,-.4935,-.6495;-2.9283,1.456,1.6833;-2.084,.9674,1.7757;2.4458,-1.9564,.5404;2.3063,-2.8926,.729;-3.5659,.7627,1.4208;3.3822,-1.8702,.2412;-4.3892,-.7449,.6915;-3.678,-1.4141,.8353;4.9574,-1.4073,-.3702;5.5805,-1.2943,.3581;-1.5787,-1.8749,-1.7961;-1.7069,-2.4845,-2.5332;-2.2582,-1.164,-1.9034;.5701,1.9957,-1.0951;.6745,1.0299,-1.2526;-.3872,2.1373,-.9469;-2.1573,-2.3322,.9092;-1.5768,-1.622,1.2523;-1.9539,-2.3407,-.0481;4.0763,1.0566,-1.195;3.3931,.8326,-1.8403;3.5844,1.4783,-.4577;1.9474,-.0104,2.4613;2.1919,.7999,1.9683;2.1976,-.7422,1.8586;2.4782,2.1699,.8037;2.6486,3.0741,1.0948;1.7009,2.2157,.1917;-.6161,-.068,1.4928;.2592,-.0445,1.9482;-.3997,.1,.5644;-2.1837,2.3664,-.7858;-2.4909,2.1587,.1303;-2.5287,3.2442,-.9914;-3.4677,.0924,-1.8292;-3.0172,.9239,-1.5751;1.4001,-1.1735,-.7647;-3.9301,-.1837,-1.0127;.0686,-1.1568,-1.5882; 0.4742116 0.2063514 0.1939385 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= 476 RedAO= T EigKep= 1.80D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 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= 484 484 484 484 484 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.73983499870 -1070.73983500 1 1.067071752565e+03 -5.060609230373e+03 1.657837893064e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 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. PT14291.200S Tue Nov 5 08:20:05 2024 -19.12900 -19.12864 -19.12836 -19.12809 -19.12807 -19.12629 -19.12513 -19.12377 -19.11574 -19.11509 -19.11443 -19.11255 -19.11250 -19.11027 -1.02897 -1.02558 -1.02052 -1.01914 -1.01836 -1.01629 -1.01207 -1.00403 -1.00215 -1.00036 -0.99986 -0.99504 -0.98994 -0.98845 -0.54329 -0.54219 -0.54194 -0.53864 -0.53731 -0.53307 -0.53096 -0.52899 -0.52588 -0.52416 -0.52217 -0.52097 -0.51970 -0.51904 -0.44213 -0.43518 -0.43419 -0.42232 -0.42059 -0.40911 -0.40553 -0.39620 -0.39348 -0.39267 -0.38260 -0.38118 -0.37346 -0.36341 -0.33051 -0.32966 -0.32819 -0.32774 -0.32708 -0.32612 -0.32416 -0.32077 -0.31900 -0.31798 -0.31691 -0.31657 -0.31309 -0.31062 -0.00243 0.02104 0.03823 0.04815 0.05192 0.05700 0.07067 0.07840 0.08926 0.09208 0.09607 0.10742 0.11026 0.11236 0.11872 0.12458 0.12824 0.13144 0.14111 0.14341 0.15016 0.15194 0.15450 0.16192 0.16282 0.17170 0.17283 0.17679 0.18282 0.18671 0.19185 0.19429 0.19994 0.20213 0.20307 0.21086 0.21480 0.21798 0.22417 0.22853 0.23050 0.23990 0.24255 0.24402 0.24679 0.25022 0.25409 0.25875 0.25975 0.26322 0.26625 0.27139 0.27231 0.27605 0.28008 0.28268 0.28499 0.28658 0.29110 0.29690 0.29939 0.30092 0.30708 0.30830 0.31331 0.32287 0.32610 0.33226 0.35846 0.36000 0.37474 0.39360 0.41586 0.43702 0.43927 0.45959 0.46062 0.46721 0.47747 0.47949 0.48647 0.49930 0.50503 0.52110 0.52846 0.53588 0.54094 0.54575 0.54895 0.55478 0.55856 0.56807 0.57239 0.57959 0.58440 0.58796 0.60077 0.60790 0.61746 0.61989 0.63319 0.64023 0.64679 0.65681 0.66162 0.67417 0.67850 0.68758 0.70169 0.70195 0.71647 0.72701 0.94023 0.94519 0.95393 0.95511 0.96724 0.96914 0.97049 0.98121 0.99119 0.99450 1.00112 1.01145 1.01451 1.01789 1.02785 1.03097 1.03513 1.04279 1.05332 1.06156 1.06638 1.07145 1.07480 1.08104 1.08363 1.08698 1.09619 1.10305 1.10796 1.11658 1.12258 1.12617 1.13212 1.14191 1.14402 1.15108 1.15693 1.16521 1.17548 1.18620 1.20163 1.20471 1.22690 1.24384 1.25212 1.26680 1.27322 1.27905 1.28604 1.30047 1.30293 1.30725 1.30964 1.31362 1.32114 1.33249 1.33698 1.34105 1.35680 1.36484 1.37649 1.38040 1.38329 1.39578 1.40044 1.40610 1.41635 1.42106 1.43153 1.43754 1.45096 1.46140 1.47227 1.48936 1.49311 1.50027 1.50281 1.51719 1.51819 1.53028 1.54734 1.55316 1.56482 1.56794 1.58147 1.59357 1.60521 1.61724 1.62547 1.63405 1.64397 1.65399 1.65760 1.67377 1.68690 1.69168 1.70432 1.71478 1.72892 1.73540 1.74793 1.75788 1.76511 1.78587 1.79331 1.80718 1.81778 1.82469 1.83200 1.85902 1.86447 1.88738 2.01860 2.03476 2.03748 2.04363 2.05356 2.05814 2.07240 2.18220 2.19316 2.24152 2.24799 2.26827 2.28718 2.29561 2.30006 2.30758 2.32479 2.32771 2.34584 2.34794 2.35187 2.37798 2.39807 2.42888 2.43344 2.44940 2.45353 2.47737 2.53021 2.56836 2.57777 2.58481 2.59078 2.60218 2.62964 2.65227 2.67571 2.69487 2.69919 2.70165 2.70860 2.72149 2.72427 2.74730 2.75092 2.75621 2.77338 2.78044 2.79261 2.80536 2.82382 2.84573 2.84714 2.86705 2.87314 2.89229 3.06465 3.06971 3.07537 3.08633 3.08898 3.09428 3.10260 3.10566 3.10994 3.11470 3.11645 3.12295 3.12428 3.13187 3.13840 3.14494 3.15145 3.15375 3.15773 3.15974 3.16408 3.16830 3.17124 3.17479 3.17872 3.19371 3.21003 3.21377 3.29612 3.30445 3.30587 3.31407 3.32470 3.32671 3.33185 3.34009 3.34856 3.35434 3.36248 3.37727 3.38832 3.40704 3.68289 3.68604 3.69927 3.71152 3.71588 3.72154 3.72638 3.73407 3.73524 3.74464 3.75111 3.76439 3.77195 3.79819 3.89016 3.91093 3.92000 3.92362 3.92623 3.93613 3.94269 3.94491 3.95013 3.95822 3.96248 3.97034 3.98048 3.99911 5.00494 5.01357 5.01587 5.02334 5.03652 5.03989 5.04755 5.05071 5.05243 5.06579 5.07548 5.07955 5.09097 5.11390 5.37771 5.38319 5.40423 5.41010 5.42019 5.43435 5.44171 5.45228 5.46253 5.47326 5.48471 5.50797 5.52464 5.53634 5.65169 5.65826 5.66150 5.67048 5.67421 5.67676 5.68224 5.69357 5.71317 5.71935 5.72496 5.75019 5.76584 5.78758 49.87338 49.89744 49.90679 49.91334 49.91855 49.92129 49.92284 49.93204 49.93432 49.93588 49.94943 49.96209 49.96617 49.97798 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 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 H H -0.814379 0.359506 0.416676 -0.726799 0.368287 -0.760637 0.335539 0.367859 0.440494 -0.771282 0.390515 -0.750098 0.320015 -0.780729 0.339987 0.421408 -0.822618 0.375589 0.438637 -0.714648 0.357204 0.367517 -0.661425 0.303404 0.372577 -0.755301 0.385983 0.371094 -0.740050 0.340116 0.405959 -0.760610 0.445328 0.328234 -0.774921 0.411186 0.337100 -0.746629 0.388118 0.371148 0.373143 0.447505 -0.00000 -1.6164 -0.8487 -0.5936 1.9197 -91.1097 -80.1698 -116.8846 1.9383 13.0714 4.2621 4.9450 15.8849 -20.8299 1.9383 13.0714 4.2621 -78.7584 36.7814 -46.6656 2.9027 -33.5007 87.4547 -5.0956 -25.2150 -10.7387 5.8222 -4143.2976 -1186.2047 -1278.7372 144.0563 189.9244 -80.5826 69.5460 -44.8571 45.5473 -919.2510 -1136.7131 -408.0681 -91.9776 217.7250 68.3565 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GASCONES LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF377 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.739835 RMSD=7.907e-09 Dipole=0.6613732,-0.2969434,-0.2117882 Quadrupole=9.8754262,-16.3894774,6.5140512,-8.329219,3.5656094,4.0743861 PG=C01 [X(H28O14)] 0 0.8645736802 1.616553131 0.4921484027 0 2.7231752175 -4.3340642154 -1.788613409 0 -1.5628809481 3.5367147548 2.8306712288 0 -0.5197739265 -2.9612189158 -2.1026641266 0 -0.6481304915 -2.5399666279 -1.2273991495 0 -0.1589876024 0.9504910936 3.035346403 0 0.4319854043 0.5857263929 3.7055007773 0 0.4005824268 -3.2893296191 -2.0656509568 0 -0.498138692 1.8029896116 3.3989169197 0 2.220879868 -3.5131849519 -1.7205590054 0 2.2490536851 -3.2437145804 -0.7714244257 0 -1.2217025824 3.3617747956 3.739072555 0 -2.0065977481 3.2546888608 4.2903481138 0 3.0322389494 0.0163480718 -0.2212808629 0 3.918783196 0.3866162272 -0.1306789637 0 2.9401555485 -0.2530578619 -1.1686747278 0 -0.9988732004 1.4761760988 -1.5286587229 0 -0.3102610102 1.5232419123 -0.8271595513 0 -0.7181385256 0.7534473884 -2.1265008374 0 2.0955721216 -2.4222650449 0.7978470061 0 1.1459149608 -2.1889037956 0.7460836251 0 2.5423380274 -1.5845388678 0.5600245256 0 -1.9933500931 3.7371246891 1.1330387435 0 -1.1515550424 3.7274835329 0.6590341622 0 -2.4559282454 2.9292231625 0.8220242051 0 -2.3104788805 -0.5147241796 2.0610267456 0 -2.6958614748 0.1255671695 1.4277939383 0 -1.5989013286 -0.0102009519 2.5087116818 0 -3.1002586829 1.367533262 0.1593040742 0 -3.9544474475 1.3953523691 -0.2889701911 0 -2.4137330276 1.309651849 -0.5521385709 0 -0.4964791521 -1.5077736714 0.262100018 0 -1.1886579044 -1.2599460635 0.920572672 0 -0.1911016587 -0.6575759282 -0.0853894141 0 -0.100810453 -0.521854699 -3.2659523047 0 -0.3289220977 -1.4288188346 -2.9465265262 0 -0.410435855 -0.4735977301 -4.1790071013 0 2.6331804721 -0.9291531212 -2.7484563099 0 1.714330749 -0.6990083752 -2.996627386 0 0.5501138461 1.3300346307 1.3731854465 0 2.5815289255 -1.8753589725 -2.5062766604 0 1.6412016768 1.0566553086 0.284176801 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8646,1.6166,.4921;2.7232,-4.3341,-1.7886;-1.5629,3.5367,2.8307;-.5198,-2.9612,-2.1027;-.6481,-2.54,-1.2274;-.159,.9505,3.0353;.432,.5857,3.7055;.4006,-3.2893,-2.0657;-.4981,1.803,3.3989;2.2209,-3.5132,-1.7206;2.2491,-3.2437,-.7714;-1.2217,3.3618,3.7391;-2.0066,3.2547,4.2903;3.0322,.0163,-.2213;3.9188,.3866,-.1307;2.9402,-.2531,-1.1687;-.9989,1.4762,-1.5287;-.3103,1.5232,-.8272;-.7181,.7534,-2.1265;2.0956,-2.4223,.7978;1.1459,-2.1889,.7461;2.5423,-1.5845,.56;-1.9933,3.7371,1.133;-1.1516,3.7275,.659;-2.4559,2.9292,.822;-2.3105,-.5147,2.061;-2.6959,.1256,1.4278;-1.5989,-.0102,2.5087;-3.1003,1.3675,.1593;-3.9544,1.3954,-.289;-2.4137,1.3097,-.5521;-.4965,-1.5078,.2621;-1.1887,-1.2599,.9206;-.1911,-.6576,-.0854;-.1008,-.5219,-3.266;-.3289,-1.4288,-2.9465;-.4104,-.4736,-4.179;2.6332,-.9292,-2.7485;1.7143,-.699,-2.9966;.5501,1.33,1.3732;2.5815,-1.8754,-2.5063;1.6412,1.0567,.2842; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF377/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 14H2O CONF377 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 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 1 1 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 1.0078250 1.0078250 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 1 1 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 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 882 A 798 A 798 1120 882 70 70 1264.9900689725 42 42 42 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) -0.0443623930 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 6.638232 0.000000 3.879207 10.082521 0.000000 5.441091 3.535541 8.224902 0.000000 4.745711 3.859981 7.364154 0.979805 0.000000 2.821201 7.713882 2.949807 6.467673 5.531144 0.000000 3.402260 7.722641 3.667854 6.871786 5.938864 0.965095 0.000000 5.552055 2.561768 8.626937 0.977795 1.537534 6.656529 6.951492 0.000000 3.215750 8.657411 2.112435 7.277743 6.347170 0.986894 1.562323 7.523358 0.000000 5.748900 0.964767 9.204978 2.821676 3.069459 6.943112 7.031596 1.866195 7.865355 0.000000 5.209185 1.564713 8.572057 3.085192 3.016099 6.154797 6.165161 2.256978 7.099862 0.987048 0.000000 4.235666 10.263689 0.986002 8.637062 7.734687 2.727432 3.231448 8.975735 1.751874 9.429953 8.719130 0.000000 5.035219 10.812664 1.551477 9.039843 8.115972 3.209053 3.662253 9.434904 2.275418 9.990330 9.271535 0.965108 0.000000 2.787187 4.634451 6.543892 5.002230 4.592618 4.654264 4.743957 4.610295 5.362974 3.919661 3.397653 6.706139 7.498768 0.000000 3.350948 5.144225 6.981501 5.898942 5.533930 5.193254 5.187840 5.443752 5.828667 4.540820 4.046956 7.088804 7.929783 0.965022 0.000000 3.249895 4.133524 7.115791 4.491947 4.255490 5.359759 5.545454 4.058687 6.075532 3.383838 3.095070 7.380655 8.159386 0.989249 1.563435 0.000000 2.752417 6.905079 4.854656 4.499944 4.042670 4.670321 5.498789 4.995686 4.963723 5.941158 5.779256 5.599476 6.167614 4.482209 5.227316 4.316919 0.000000 1.769044 6.665896 4.359226 4.667033 4.096829 3.907669 4.687737 5.019961 4.239490 5.707051 5.410829 5.006137 5.662539 3.716198 4.434165 3.719823 0.984126 0.000000 3.179191 6.151389 5.747497 3.720035 3.414654 5.195781 5.946693 4.195150 5.628515 5.196804 5.159241 6.439092 7.006589 4.270657 5.061513 3.913259 0.979063 1.564364 0.000000 4.233304 3.276986 7.281902 3.942521 3.412240 4.633026 4.502220 3.438664 5.598721 2.747395 1.777906 7.287677 7.826440 2.804069 3.475064 3.047292 5.494185 4.898541 5.153050 0.000000 3.824283 3.676160 6.668267 3.389152 2.690070 4.098694 4.119031 3.110034 5.067115 2.998932 2.152294 6.735995 7.220308 3.058946 3.884690 3.260843 4.817404 4.286673 4.514850 0.979278 0.000000 3.614760 3.620593 6.945207 4.285054 3.779790 4.455419 4.365508 3.793099 5.364621 3.004009 2.147472 6.981430 7.617497 1.847506 2.501425 2.217995 5.125500 4.440710 4.828489 0.978746 1.532929 0.000000 3.615977 9.794169 1.762789 7.583469 6.839822 3.840441 4.736151 8.082920 3.333278 8.858315 8.387913 2.743673 3.193982 6.398039 6.912034 6.749735 3.631185 3.402417 4.599249 7.400657 6.717331 7.015762 0.000000 2.923808 9.273245 2.218466 7.263943 6.564526 3.787313 4.653944 7.685617 3.411391 8.334450 7.887202 3.102467 3.760462 5.661414 6.123183 5.993941 3.142880 2.788410 4.097798 6.955754 6.347408 6.470876 0.966122 0.000000 3.585757 9.294831 2.280623 6.855640 6.113944 3.753680 4.706002 7.427565 3.426619 8.357146 7.923452 3.196809 3.512420 6.300262 6.928884 6.573242 3.124110 3.049669 4.055578 7.025323 6.258935 6.739834 0.981536 1.537912 0.000000 4.133362 7.398970 4.191111 5.150561 4.204611 2.779401 3.381774 5.663723 3.232077 6.619998 6.021587 4.362169 4.389840 5.834004 6.664810 6.169976 4.309273 4.061502 4.656092 4.964637 4.059386 5.191083 4.363479 4.615735 3.662930 0.000000 3.971797 7.720074 3.858450 5.169888 4.283494 3.114555 3.896552 5.783912 3.395447 6.879461 6.375014 4.241249 4.296592 5.961754 6.800773 6.216888 3.666678 3.567828 4.115657 5.463160 4.536601 5.578192 3.691037 3.993704 2.878370 0.979529 0.000000 3.575132 7.472827 3.561680 5.580126 4.611096 1.809316 2.431447 5.972890 2.300392 6.689421 6.001805 3.609195 3.741651 5.375967 6.129330 5.846810 4.343928 3.891025 4.779550 4.732256 3.922706 4.840019 4.011298 4.194247 3.495658 0.980463 1.546007 0.000000 3.986564 8.379438 3.768963 5.523902 4.817098 4.134806 5.065914 6.236400 4.178007 7.461220 7.123553 4.507850 4.671507 6.291111 7.093182 6.393469 2.697562 2.963350 3.358050 6.462737 5.569789 6.380768 2.790765 3.101055 1.814727 2.789838 1.820737 3.109975 0.000000 4.886925 8.925569 4.476292 5.836624 5.224856 5.065027 5.987661 6.638458 5.070774 8.017347 7.761258 5.249747 5.312382 7.121799 7.939167 7.143297 3.206054 3.685932 3.776540 7.235890 6.319171 7.197831 3.369260 3.767460 2.415083 3.445796 2.478643 3.918061 0.965071 0.000000 3.454275 7.730991 4.138497 4.922555 4.288693 4.252402 5.172009 5.600154 4.418566 6.790037 6.520952 4.903737 5.234368 5.607202 6.413297 5.611266 1.727180 2.132100 2.379710 6.006954 5.157166 5.846015 2.984823 2.984283 2.124409 3.188674 2.324174 3.431438 0.990363 1.565376 0.000000 3.415671 4.749686 5.760350 2.775816 1.818524 3.721272 4.135432 3.065467 4.560787 3.916204 3.408756 6.027254 6.417810 3.874075 4.820532 3.928344 3.516130 3.226177 3.296615 2.800366 1.842725 3.054351 5.523415 5.290992 4.882612 2.740963 2.977235 2.916389 3.880416 4.548556 3.503817 0.000000 3.559994 5.665009 5.176531 3.532944 2.558204 3.227773 3.713330 3.944821 4.000073 4.865964 4.314632 5.413440 5.692657 4.555077 5.468295 4.735597 3.677107 3.401806 3.682363 3.486003 2.518658 3.762404 5.065904 4.994420 4.377765 1.764787 2.109166 2.062122 3.337274 4.020348 3.205077 0.986973 0.000000 2.572871 4.991047 5.289354 3.079642 2.248657 3.510827 4.037931 3.346289 4.276569 4.079943 3.621204 5.643034 6.144015 3.295841 4.240701 3.337951 2.699707 2.306597 2.536709 3.020449 2.196344 2.957619 4.903678 4.550317 4.337968 3.019813 3.029333 3.021648 3.553046 4.291705 3.004651 0.967905 1.539457 0.000000 4.430358 4.968940 7.468497 2.734825 2.920280 6.471287 7.078966 3.057946 7.069883 4.089810 4.376420 8.087605 8.659791 4.401782 5.178068 3.703822 2.795860 3.189671 1.818197 4.995010 4.519935 4.770077 6.408723 5.879325 5.845346 5.767096 5.402286 5.987722 4.929387 5.233414 4.008592 3.684528 4.388073 3.184738 0.000000 4.745862 4.369956 7.717201 1.759767 2.071700 6.439938 6.991912 2.183946 7.123052 3.514124 3.830258 8.273094 8.781924 4.562113 5.409972 3.902568 3.301239 3.634106 2.363518 4.570059 4.048240 4.534786 6.789709 6.345411 6.141552 5.462392 5.210873 5.777971 5.014586 5.308765 4.192702 3.213969 3.965113 2.966465 0.988257 0.000000 5.273905 5.516947 8.157593 3.242131 3.610868 7.357863 7.999832 3.612807 7.912994 4.712418 5.134009 8.835396 9.390305 5.268363 5.989246 4.509679 3.342488 3.902856 2.411038 5.903089 5.442520 5.693109 6.960864 6.450193 6.385416 6.523027 6.084274 6.808287 5.426403 5.584387 4.510804 4.560741 5.218207 4.103616 0.965332 1.561442 0.000000 4.484430 3.538759 8.287193 3.806240 3.959209 6.691908 6.985247 3.319812 7.420240 2.811367 3.068127 8.681026 9.411527 2.727606 3.199497 1.745580 4.523862 4.285962 3.801225 3.885186 4.001342 3.373993 7.631837 6.900687 7.316722 6.909605 6.852167 6.811226 6.826578 7.406027 5.942003 4.380984 5.308262 3.891304 2.812188 3.010473 3.393760 0.000000 4.272642 3.961148 7.914473 3.302725 3.478580 6.528007 6.943592 3.049986 7.215123 3.131219 3.422424 8.395231 9.087191 3.154547 3.775162 2.245647 3.774630 3.707285 2.963723 4.184853 4.068264 3.757597 7.104950 6.416463 6.718424 6.466291 6.301208 6.462254 6.116434 6.622145 5.201072 4.020085 4.907795 3.479611 1.843545 2.170257 2.442021 0.979204 0.000000 0.978368 6.841139 3.385033 5.625038 4.814119 1.846526 2.451050 5.760771 2.329401 5.984939 5.329628 3.586743 4.330232 3.229402 3.807831 3.831388 3.292631 2.370462 3.766792 4.098684 3.623695 3.622834 3.510123 3.025467 3.449271 3.472643 3.462669 2.775593 3.847094 4.801885 3.534357 3.222270 3.152172 2.574381 5.037340 5.200374 5.916298 5.141111 4.956580 0.000000 4.912427 2.565216 8.657349 3.310600 3.536655 6.797459 7.018807 2.636284 7.608279 1.851997 2.234424 8.994250 9.672766 3.000483 3.542350 2.132992 5.000780 4.767848 4.235877 3.384153 3.568914 3.080311 8.103956 7.439553 7.716059 6.829592 6.879787 6.790060 7.064303 7.637604 6.238236 4.156099 5.131894 3.877005 3.099036 2.977238 3.703352 0.978072 1.541518 5.426916 0.000000 0.979739 5.875967 4.785548 5.148800 4.523449 3.289512 3.659158 5.093958 3.851675 5.023787 4.469559 5.044413 5.846982 1.809064 2.410070 2.348065 3.229917 2.293682 3.386708 3.545870 3.315467 2.804291 4.595155 3.882439 4.536768 4.608927 4.580928 4.072469 4.753281 5.635113 4.148003 3.338632 3.712108 2.536238 4.257901 4.527296 5.144988 3.758234 3.721744 1.565614 4.155425 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9318,-.7049,-1.4847;-5.2129,-1.1509,.9871;4.7141,-.4935,-.6495;-2.9283,1.456,1.6833;-2.084,.9674,1.7757;2.4458,-1.9564,.5404;2.3063,-2.8926,.729;-3.5659,.7627,1.4208;3.3822,-1.8702,.2412;-4.3892,-.7449,.6915;-3.678,-1.4141,.8353;4.9574,-1.4073,-.3702;5.5805,-1.2943,.3581;-1.5787,-1.8749,-1.7961;-1.7069,-2.4845,-2.5332;-2.2582,-1.164,-1.9034;.5701,1.9957,-1.0951;.6745,1.0299,-1.2526;-.3872,2.1373,-.9469;-2.1573,-2.3322,.9092;-1.5768,-1.622,1.2523;-1.9539,-2.3407,-.0481;4.0763,1.0566,-1.195;3.3931,.8326,-1.8403;3.5844,1.4783,-.4577;1.9474,-.0104,2.4613;2.1919,.7999,1.9683;2.1976,-.7422,1.8586;2.4782,2.1699,.8037;2.6486,3.0741,1.0948;1.7009,2.2157,.1917;-.6161,-.068,1.4928;.2592,-.0445,1.9482;-.3997,.1,.5644;-2.1837,2.3664,-.7858;-2.4909,2.1587,.1303;-2.5287,3.2442,-.9914;-3.4677,.0924,-1.8292;-3.0172,.9239,-1.5751;1.4001,-1.1735,-.7647;-3.9301,-.1837,-1.0127;.0686,-1.1568,-1.5882; 0.4742116 0.2063514 0.1939385 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= 798 RedAO= T EigKep= 9.89D-05 NBF= 798 NBsUse= 798 1.00D-06 EigRej= -1.00D+00 NBFU= 798 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= 861 861 861 861 861 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.75080830855 -1070.77712934703 -0.026321038485 -1070.77723895254 -0.000109605508 -1070.77725814026 -0.000019187723 -1070.77726838991 -0.000010249650 -1070.77726847607 -0.000000086161 -1070.77726849302 -0.000000016948 -1070.77726849357 -0.000000000546 -1070.77726849 8 1.066975669895e+03 -5.060946565088e+03 1.658233876954e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323049106 LenY= 11322270300 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. PT3195.900S Tue Nov 5 08:26:57 2024 -19.12862 -19.12830 -19.12806 -19.12775 -19.12771 -19.12590 -19.12496 -19.12357 -19.11566 -19.11505 -19.11437 -19.11252 -19.11235 -19.11018 -1.02800 -1.02460 -1.01959 -1.01813 -1.01740 -1.01534 -1.01108 -1.00304 -1.00107 -0.99930 -0.99884 -0.99397 -0.98887 -0.98747 -0.54224 -0.54109 -0.54087 -0.53755 -0.53619 -0.53195 -0.52989 -0.52791 -0.52488 -0.52312 -0.52115 -0.51994 -0.51868 -0.51798 -0.44217 -0.43523 -0.43426 -0.42241 -0.42058 -0.40924 -0.40554 -0.39626 -0.39368 -0.39288 -0.38266 -0.38133 -0.37364 -0.36366 -0.33076 -0.32991 -0.32840 -0.32789 -0.32727 -0.32629 -0.32428 -0.32103 -0.31921 -0.31821 -0.31711 -0.31677 -0.31329 -0.31087 -0.00316 0.02006 0.03648 0.04667 0.05070 0.05527 0.06918 0.07666 0.08783 0.09083 0.09499 0.10578 0.10938 0.11103 0.11709 0.12318 0.12707 0.13019 0.13924 0.14157 0.14852 0.14937 0.15258 0.15948 0.16122 0.16941 0.17111 0.17442 0.18069 0.18363 0.18900 0.19149 0.19675 0.19921 0.19999 0.20620 0.21157 0.21425 0.22106 0.22461 0.22596 0.23427 0.23829 0.23968 0.24253 0.24635 0.25061 0.25343 0.25619 0.25995 0.26175 0.26801 0.26916 0.27295 0.27529 0.27950 0.28077 0.28327 0.28760 0.29124 0.29361 0.29691 0.30054 0.30333 0.30857 0.31309 0.31720 0.32458 0.34510 0.35002 0.36359 0.38329 0.39322 0.39907 0.40585 0.43278 0.44427 0.44781 0.45785 0.46222 0.46502 0.47585 0.48538 0.49002 0.49958 0.50216 0.50996 0.51246 0.51564 0.51911 0.52845 0.53352 0.53448 0.54192 0.54507 0.55162 0.55327 0.55682 0.56021 0.57096 0.57366 0.57464 0.58231 0.58959 0.59050 0.59780 0.61046 0.61303 0.61870 0.62577 0.63104 0.63625 0.63943 0.64848 0.65182 0.66369 0.67071 0.67196 0.67764 0.68145 0.68943 0.69515 0.70379 0.71243 0.71660 0.72707 0.73393 0.74320 0.74876 0.75750 0.77527 0.77807 0.79132 0.79723 0.79929 0.80523 0.81240 0.82422 0.82951 0.83310 0.83882 0.85100 0.85322 0.85504 0.86241 0.86807 0.86980 0.87097 0.87824 0.88333 0.88811 0.89177 0.89755 0.90318 0.90594 0.90920 0.91845 0.92318 0.92844 0.93458 0.94094 0.94408 0.94785 0.95543 0.96029 0.96500 0.97202 0.97767 0.98345 0.98524 0.98699 0.98912 0.99740 1.00178 1.00549 1.01234 1.01689 1.02231 1.02439 1.02716 1.03378 1.04188 1.04563 1.05281 1.05590 1.05711 1.06037 1.06637 1.07313 1.07906 1.08119 1.08786 1.09064 1.10041 1.10263 1.10859 1.11059 1.11540 1.12218 1.12562 1.12882 1.13964 1.14387 1.14593 1.15213 1.15488 1.16253 1.16795 1.17239 1.17681 1.18313 1.19031 1.19551 1.20720 1.21285 1.22020 1.22750 1.24455 1.24859 1.25117 1.25952 1.26384 1.26685 1.27234 1.27997 1.29711 1.29946 1.30211 1.30691 1.31424 1.31822 1.32953 1.33629 1.33995 1.35427 1.36120 1.36293 1.37360 1.37428 1.38052 1.39317 1.40436 1.40578 1.41343 1.42724 1.43223 1.44218 1.44764 1.46545 1.46996 1.48088 1.49069 1.49902 1.50798 1.51582 1.52087 1.52876 1.53366 1.53677 1.54320 1.54757 1.54862 1.55955 1.57000 1.57420 1.58313 1.58849 1.59482 1.60336 1.61222 1.62278 1.62784 1.64116 1.64826 1.65410 1.67258 1.68933 1.70066 1.70108 1.72356 1.72723 1.74153 1.75582 1.75706 1.79427 1.79571 1.82541 1.83464 1.84653 1.86118 1.87047 1.90075 1.92307 1.93821 1.96095 1.98455 2.00692 2.03581 2.05236 2.07093 2.10949 2.12334 2.13414 2.15869 2.16428 2.16741 2.18031 2.19127 2.20408 2.20581 2.21474 2.23446 2.24782 2.25747 2.26456 2.27755 2.29510 2.30266 2.33436 2.34775 2.35434 2.36917 2.66496 2.70462 2.72606 2.72824 2.73766 2.74125 2.75128 2.75888 2.77006 2.77961 2.78938 2.79678 2.81114 2.81721 2.84338 2.86703 2.87476 2.88637 2.88794 2.90286 2.91696 2.94128 2.95956 2.98091 2.99045 3.01229 3.04961 3.09329 3.10386 3.13188 3.13683 3.15168 3.16141 3.17237 3.17430 3.18429 3.18475 3.20633 3.21332 3.22027 3.22441 3.22787 3.23998 3.25681 3.26176 3.27858 3.28094 3.29474 3.30105 3.30296 3.31403 3.32665 3.32770 3.33502 3.34321 3.35520 3.37000 3.37955 3.38972 3.39583 3.40102 3.40801 3.41574 3.42406 3.42889 3.43685 3.44709 3.45191 3.45511 3.45688 3.46850 3.47201 3.47735 3.48200 3.49087 3.49866 3.50667 3.50863 3.51636 3.51747 3.52580 3.53839 3.54084 3.54763 3.55584 3.55783 3.56630 3.57715 3.58116 3.58597 3.59312 3.60255 3.61482 3.62527 3.62942 3.65006 3.65434 3.67084 3.81746 3.82107 3.83058 3.83712 3.84423 3.85598 3.88299 3.90929 3.93555 3.94842 3.96315 3.97577 4.00171 4.01087 4.02186 4.04241 4.05190 4.06050 4.06562 4.06919 4.08966 4.10845 4.11335 4.12403 4.13926 4.14099 4.15511 4.16537 4.17456 4.18402 4.19351 4.20421 4.20710 4.21170 4.22637 4.23230 4.24375 4.26496 4.27240 4.28635 4.30043 4.30903 4.32693 4.33887 4.34374 4.34733 4.36583 4.37324 4.38147 4.38788 4.39589 4.40522 4.40823 4.41653 4.43248 4.46689 4.63591 4.64042 4.64394 4.64772 4.64930 4.66043 4.68370 4.72082 4.73219 4.74667 4.75061 4.76189 4.76960 4.79688 4.83670 4.84469 4.85094 4.86178 4.86524 4.86836 4.87141 4.88175 4.88688 4.89308 4.90609 4.91162 4.91337 4.92078 5.04001 5.04582 5.04825 5.05091 5.05659 5.06342 5.09744 5.13048 5.13627 5.15173 5.15595 5.16420 5.17062 5.17539 5.19199 5.20053 5.20859 5.22063 5.23652 5.24196 5.24562 5.24892 5.25655 5.25709 5.26645 5.27875 5.28151 5.28548 5.29309 5.30008 5.30204 5.30683 5.31211 5.31294 5.32543 5.32801 5.33686 5.33993 5.35205 5.35573 5.35822 5.36436 5.37677 5.37846 5.39039 5.39964 5.40712 5.41110 5.41447 5.41716 5.41992 5.43487 5.43838 5.44387 5.44547 5.45189 5.45449 5.45922 5.46387 5.47680 5.47923 5.48275 5.48592 5.49862 5.52441 5.53600 5.55425 5.55957 5.56340 5.57396 5.57901 5.58260 5.58542 5.58750 5.59071 5.59397 5.59599 5.59777 5.60476 5.61042 5.61199 5.61555 5.62002 5.63778 5.64509 5.64668 5.66431 5.67192 5.68810 5.69333 5.70742 5.71441 5.73142 5.73680 5.74974 5.75087 5.76179 5.76930 5.78880 5.80277 5.81567 5.82725 5.85816 5.88168 5.89550 5.90834 5.91598 5.91784 5.94005 5.94178 5.97172 5.98328 6.93647 6.94563 6.94954 6.96159 6.96582 6.97200 6.99247 6.99816 7.00233 7.00390 7.01152 7.01387 7.02216 7.02762 7.03358 7.03852 7.04304 7.05901 7.06439 7.06970 7.07796 7.09892 7.10166 7.12539 7.13326 7.13725 7.16424 7.19303 14.36414 14.36810 14.37146 14.37438 14.37965 14.38079 14.38591 14.39068 14.39209 14.39399 14.39510 14.39728 14.39872 14.39942 14.40140 14.40580 14.40594 14.40685 14.41465 14.42123 14.42510 14.43232 14.43838 14.44143 14.44616 14.44909 14.45295 14.46250 14.46367 14.46951 14.47592 14.47961 14.48215 14.49053 14.49567 14.49757 14.50334 14.50902 14.51602 14.52372 14.53826 14.55446 14.66375 14.66702 14.66892 14.67593 14.67774 14.68099 14.68838 14.69228 14.69449 14.70416 14.70978 14.71456 14.71688 14.72956 15.05172 15.05488 15.05952 15.06241 15.06357 15.06636 15.07357 15.08201 15.08407 15.08622 15.08743 15.08906 15.09206 15.10469 50.00883 50.01639 50.02369 50.03359 50.03884 50.04365 50.05326 50.05711 50.06420 50.07457 50.08922 50.09375 50.10703 50.11748 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 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 H H -0.889041 0.321764 0.504900 -0.830891 0.419129 -0.753310 0.298641 0.381002 0.480198 -0.733983 0.430956 -0.818682 0.295357 -0.792542 0.305571 0.487791 -0.955422 0.458371 0.485255 -0.792921 0.386564 0.385522 -0.715954 0.292487 0.432633 -0.899673 0.427952 0.438890 -0.784747 0.301501 0.492916 -0.793837 0.488668 0.364216 -0.780018 0.471056 0.297399 -0.835312 0.430657 0.417611 0.391015 0.488309 -0.00000 -1.5253 -0.8131 -0.5792 1.8229 -89.8614 -79.3834 -114.9685 1.8097 12.5756 4.1453 4.8764 15.3543 -20.2307 1.8097 12.5756 4.1453 -76.1347 35.6012 -44.6679 2.9803 -32.5709 84.2684 -4.8983 -24.4161 -10.2144 5.9106 -4105.2004 -1177.7353 -1259.9724 138.7318 177.1594 -79.3619 67.1244 -39.9805 45.3198 -908.4209 -1121.0995 -403.3145 -87.5883 210.9174 66.4777 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GASCONES LAMSABHI 05-Nov-2024 0 Single Point 14H2O CONF377 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7772685 RMSD=6.252e-09 Dipole=0.6315352,-0.2753913,-0.1992075 Quadrupole=9.4993286,-15.8195195,6.3201909,-8.0703566,3.4689185,4.0232955 PG=C01 [X(H28O14)] 0 0.8645736802 1.616553131 0.4921484027 0 2.7231752175 -4.3340642154 -1.788613409 0 -1.5628809481 3.5367147548 2.8306712288 0 -0.5197739265 -2.9612189158 -2.1026641266 0 -0.6481304915 -2.5399666279 -1.2273991495 0 -0.1589876024 0.9504910936 3.035346403 0 0.4319854043 0.5857263929 3.7055007773 0 0.4005824268 -3.2893296191 -2.0656509568 0 -0.498138692 1.8029896116 3.3989169197 0 2.220879868 -3.5131849519 -1.7205590054 0 2.2490536851 -3.2437145804 -0.7714244257 0 -1.2217025824 3.3617747956 3.739072555 0 -2.0065977481 3.2546888608 4.2903481138 0 3.0322389494 0.0163480718 -0.2212808629 0 3.918783196 0.3866162272 -0.1306789637 0 2.9401555485 -0.2530578619 -1.1686747278 0 -0.9988732004 1.4761760988 -1.5286587229 0 -0.3102610102 1.5232419123 -0.8271595513 0 -0.7181385256 0.7534473884 -2.1265008374 0 2.0955721216 -2.4222650449 0.7978470061 0 1.1459149608 -2.1889037956 0.7460836251 0 2.5423380274 -1.5845388678 0.5600245256 0 -1.9933500931 3.7371246891 1.1330387435 0 -1.1515550424 3.7274835329 0.6590341622 0 -2.4559282454 2.9292231625 0.8220242051 0 -2.3104788805 -0.5147241796 2.0610267456 0 -2.6958614748 0.1255671695 1.4277939383 0 -1.5989013286 -0.0102009519 2.5087116818 0 -3.1002586829 1.367533262 0.1593040742 0 -3.9544474475 1.3953523691 -0.2889701911 0 -2.4137330276 1.309651849 -0.5521385709 0 -0.4964791521 -1.5077736714 0.262100018 0 -1.1886579044 -1.2599460635 0.920572672 0 -0.1911016587 -0.6575759282 -0.0853894141 0 -0.100810453 -0.521854699 -3.2659523047 0 -0.3289220977 -1.4288188346 -2.9465265262 0 -0.410435855 -0.4735977301 -4.1790071013 0 2.6331804721 -0.9291531212 -2.7484563099 0 1.714330749 -0.6990083752 -2.996627386 0 0.5501138461 1.3300346307 1.3731854465 0 2.5815289255 -1.8753589725 -2.5062766604 0 1.6412016768 1.0566553086 0.284176801