Gaussian 16 GINC-BELVIS24 PAULAPLA Optimization ipconazole_RSS CONF12 gas EM64L-G16RevC.01 20-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 47 47 89 89 658 (5D, 7F) 6-311+G(d,p) 135 135 C1[X(C18H24ClN3O)] C1[X(C18H24ClN3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 309.66509999999977 0 1 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.4049,-3.1246,.4134;-1.8402,1.2332,-1.6883;-1.0875,2.8565,.704;-.5883,3.4312,-.3942;.5161,4.1421,1.4152;-1.8378,.7485,-.3759;-2.8835,-.3776,-.2274;-.5182,.0468,.0323;-2.4004,-1.1796,.9978;-.9316,-.7824,1.2481;-4.3661,.012,-.1527;-2.16,1.8909,.6104;.0519,-.8188,-1.1016;-5.2247,-1.2443,-.008;-4.8514,.8103,-1.3605;1.3848,-1.4093,-.7396;-.4127,3.2893,1.774;2.5226,-.6069,-.6913;1.5264,-2.756,-.4249;3.7577,-1.1228,-.3392;2.7553,-3.2931,-.0697;.3712,4.1931,.0799;3.8664,-2.4695,-.0274;-2.7715,-.9992,-1.1243;.254,.775,.2998;-2.5029,-2.2513,.8267;-3.0157,-.9595,1.8743;-.8428,-.1891,2.1612;-.2801,-1.6438,1.397;-4.524,.6167,.7507;-2.3373,1.5143,1.618;-3.0654,2.4095,.2911;.1548,-.2103,-2.0013;-.6442,-1.622,-1.3577;-1.3094,2.0426,-1.716;-6.2824,-.9855,.0567;-4.9771,-1.8236,.8817;-5.1016,-1.8986,-.8744;-4.3449,1.7655,-1.4786;-5.9212,1.0091,-1.2751;-4.6918,.2516,-2.2843;-.6305,2.9645,2.78;2.4458,.4456,-.9388;.6611,-3.4072,-.4633;4.6308,-.4856,-.3106;2.8462,-4.3437,.1693;.9819,4.8066,-.5637; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2558882/Gau-29423.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2558882/" chk=/home/paulapla/almacen/ADAMA/censo_results/ipconazole_RSS/gas/CONF12/opt-b3 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization ipconazole_RSS CONF12 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 2 3 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 13 14 14 14 15 15 15 16 16 17 18 18 19 19 20 20 21 21 22 23 6 35 4 12 17 22 17 22 7 8 12 9 11 24 10 13 25 10 26 27 28 29 14 15 30 31 32 16 33 34 36 37 38 39 40 41 18 19 42 20 43 21 44 23 45 23 46 47 1.7293 1.3991 0.9684 1.3363 1.4462 1.337 1.3137 1.311 1.3441 1.5439 1.5493 1.5432 1.5419 1.5347 1.097 1.5286 1.5362 1.0947 1.542 1.09 1.0934 1.0925 1.0903 1.5286 1.527 1.0985 1.0902 1.0912 1.502 1.091 1.0933 1.0908 1.0902 1.0926 1.0876 1.0914 1.0913 1.3931 1.3902 1.0793 1.3841 1.084 1.3874 1.0837 1.3866 1.0813 1.3837 1.0813 1.0786 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 6 4 4 12 3 17 2 2 2 7 7 8 6 6 6 9 9 11 6 6 6 10 10 13 7 7 7 10 10 26 8 8 8 9 9 28 7 7 7 14 14 15 3 3 3 6 6 31 8 8 8 16 16 33 11 11 11 36 36 37 11 11 11 39 39 40 13 13 18 3 3 5 16 16 20 16 16 21 18 18 23 19 19 23 4 4 5 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 35 12 17 17 22 22 7 8 12 8 12 12 9 11 24 11 24 24 10 13 25 13 25 25 10 26 27 26 27 27 9 28 29 28 29 29 14 15 30 15 30 30 6 31 32 31 32 32 16 33 34 33 34 34 36 37 38 37 38 38 39 40 41 40 41 41 18 19 19 5 42 42 20 43 43 21 44 44 23 45 45 23 46 46 5 47 47 20 21 21 108.3889 120.7295 109.2678 129.9604 103.0439 102.724 109.9836 113.9229 110.0407 102.7803 109.6948 110.1678 104.0972 118.2822 105.3974 113.3321 108.8372 106.3964 102.9961 112.1399 111.3407 112.4442 110.9306 107.0655 107.0663 110.9272 110.85 111.6139 110.7353 105.7103 105.555 110.3811 112.0606 110.6688 112.817 105.4508 109.7908 113.6591 108.5841 109.0253 107.0879 108.4789 112.3839 106.9437 108.4769 111.6474 109.7627 107.4365 111.8984 109.2271 110.5209 109.5334 109.4331 106.055 110.8088 112.7309 110.7207 107.3268 107.3625 107.6609 113.3908 110.1753 110.819 107.7565 106.8361 107.6259 120.4428 121.72 117.8309 110.43 123.1364 126.4332 121.5325 119.5716 118.8952 121.5511 119.5188 118.9287 119.2868 120.5033 120.2095 119.2503 120.4829 120.2666 114.5329 121.876 123.5908 119.6695 119.7823 120.548 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 35 35 35 12 17 4 4 4 17 17 17 4 4 12 12 3 3 22 22 17 17 2 2 2 8 8 8 12 12 12 2 2 2 7 7 7 12 12 12 2 2 2 7 7 7 8 8 8 6 6 6 11 11 11 24 24 24 6 6 6 9 9 9 24 24 24 6 6 6 13 13 13 25 25 25 6 6 6 10 10 10 25 25 25 7 7 7 26 26 26 27 27 27 7 7 7 15 15 15 30 30 30 7 7 7 14 14 14 30 30 30 8 8 33 33 34 34 13 13 19 19 13 13 18 18 16 16 43 43 16 16 44 44 18 18 45 45 19 19 46 46 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 6 6 6 4 4 12 12 12 12 12 12 17 17 17 17 22 22 17 17 22 22 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 7 8 12 22 22 6 31 32 6 31 32 5 42 5 42 5 47 3 42 4 47 9 11 24 9 11 24 9 11 24 10 13 25 10 13 25 10 13 25 3 31 32 3 31 32 3 31 32 10 26 27 10 26 27 10 26 27 14 15 30 14 15 30 14 15 30 9 28 29 9 28 29 9 28 29 16 33 34 16 33 34 16 33 34 8 28 29 8 28 29 8 28 29 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 18 19 18 19 18 19 20 43 20 43 21 44 21 44 23 45 23 45 23 46 23 46 1 21 1 21 1 20 1 20 169.161 -76.0785 48.2061 -178.0455 -0.1869 52.8951 175.751 -68.6499 -124.4673 -1.6114 113.9877 0.3681 -179.8483 177.9665 -2.25 -0.0489 -179.8471 -0.3688 179.8564 0.2616 -179.9442 157.6185 -75.5951 43.1331 35.9547 162.7411 -78.5307 -81.2191 45.5673 164.2956 -161.0474 -39.922 80.0194 -42.1009 79.0246 -161.034 74.7363 -164.1382 -44.1968 -69.8111 170.0201 50.9972 169.0609 48.8921 -70.1308 56.6171 -63.5516 177.4254 -16.519 -138.5195 104.3606 -146.3373 91.6622 -25.4578 95.5006 -26.4999 -143.6199 -179.9994 57.5961 -63.2267 -57.7711 179.8243 59.0015 61.7972 -60.6074 178.5698 31.811 -87.8106 154.9819 -89.1071 151.2714 34.0638 151.0293 31.4077 -85.7998 175.4858 54.0303 -62.2835 -68.999 169.5455 53.2317 53.0823 -68.3732 175.313 -9.597 109.8344 -132.2856 111.972 -128.5966 -10.7166 -130.5493 -11.1179 106.7621 179.4325 59.1245 -61.5498 -55.4532 -175.7612 63.5644 61.7247 -58.5833 -179.2576 -62.2455 176.8949 57.8926 174.9285 54.0689 -64.9334 58.6363 -62.2233 178.7744 -72.8401 106.2236 48.4387 -132.4976 164.3094 -16.6268 178.9278 -1.3752 -0.1716 179.5254 -178.9241 1.5178 0.1631 -179.395 0.0131 179.7737 -179.6858 0.0748 0.0036 -179.8474 179.5642 -0.2868 179.986 0.1606 0.2247 -179.6008 -179.994 -0.1687 -0.1426 179.6826 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 681 A 658 A 1037 681 2109.9166425379 47 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=131 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= 658 RedAO= T EigKep= 1.28D-06 NBF= 658 NBsUse= 656 1.00D-06 EigRej= 8.99D-07 NBFU= 656 Berny optimization. local minimum Step number 11 out of a maximum of 282 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00154 0.00278 0.00303 0.00391 0.00471 0.00595 0.00669 0.00768 0.00884 0.01587 0.01608 0.01919 0.02057 0.02207 0.02234 0.02239 0.02242 0.02261 0.02276 0.02282 0.02284 0.02292 0.02589 0.02623 0.02794 0.03523 0.03617 0.03968 0.04112 0.04206 0.04384 0.04512 0.04753 0.04894 0.04945 0.05098 0.05133 0.05262 0.05383 0.05400 0.05439 0.05494 0.05624 0.05644 0.05793 0.06141 0.06393 0.06751 0.07291 0.07421 0.08223 0.09250 0.09528 0.10281 0.10803 0.12859 0.13098 0.14026 0.15469 0.15702 0.15982 0.15998 0.16000 0.16000 0.16000 0.16001 0.16001 0.16006 0.16010 0.16081 0.16138 0.16668 0.17108 0.17338 0.19522 0.21331 0.21997 0.22071 0.22249 0.23320 0.23611 0.24924 0.25000 0.25126 0.25684 0.26116 0.27063 0.27787 0.28448 0.28653 0.28903 0.29144 0.29472 0.30429 0.30645 0.33006 0.33444 0.33854 0.34119 0.34366 0.34446 0.34507 0.34524 0.34585 0.34617 0.34655 0.34683 0.34706 0.34771 0.34780 0.34808 0.34858 0.34914 0.35355 0.35531 0.35574 0.35747 0.35842 0.35862 0.36145 0.36632 0.42516 0.42942 0.43217 0.43694 0.47246 0.47916 0.48166 0.49543 0.49657 0.53556 0.54010 0.58074 0.61319 0.70095 -9.26060857e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 3.32895 2.68544 1.83532 2.56791 2.75754 2.54767 2.50538 2.50087 2.56479 2.93211 2.94526 2.92814 2.93099 2.91607 2.07168 2.91174 2.92005 2.06582 2.93650 2.06181 2.06852 2.06676 2.06193 2.90687 2.90229 2.07745 2.06031 2.05950 2.85337 2.06336 2.06668 2.06660 2.06419 2.07045 2.05834 2.06776 2.06833 2.64623 2.64059 2.03947 2.62928 2.05103 2.63541 2.05058 2.63124 2.04582 2.62580 2.04582 2.03933 1.88450 2.10645 1.90478 2.26906 1.79471 1.79448 1.91419 1.98236 1.90681 1.80003 1.93184 1.92669 1.81396 2.06333 1.82278 1.98700 1.90448 1.86231 1.80217 1.95651 1.92719 1.96926 1.94055 1.86931 1.86880 1.93660 1.92462 1.95289 1.92907 1.85283 1.84751 1.92616 1.94679 1.92892 1.96628 1.84965 1.92384 1.97373 1.88871 1.91025 1.87041 1.89370 1.95714 1.86628 1.89179 1.94386 1.90688 1.89611 1.95754 1.89385 1.91991 1.92021 1.91282 1.85674 1.93043 1.96313 1.92658 1.87971 1.87790 1.88315 1.96624 1.92473 1.92538 1.89829 1.86225 1.88418 2.10121 2.12250 2.05921 1.92949 2.14481 2.20889 2.12007 2.08589 2.07722 2.12034 2.08622 2.07661 2.07806 2.10976 2.09535 2.07757 2.10928 2.09634 2.00127 2.12497 2.15693 2.08526 2.08680 2.11112 2.94987 -1.32975 0.82957 -3.07447 -0.00678 0.95910 3.09455 -1.14740 -2.09129 0.04416 2.08539 0.00976 -3.13423 3.06836 -0.07562 0.00184 -3.13531 -0.00802 3.13607 0.00379 3.14084 2.75646 -1.30507 0.76066 0.63917 2.86082 -1.35663 -1.42154 0.80012 2.86584 -2.78462 -0.66006 1.42268 -0.71422 1.41035 -2.79010 1.35010 -2.80852 -0.72579 -1.22112 2.97135 0.87663 2.95249 0.86177 -1.23295 0.97073 -1.11998 3.06848 -0.32608 -2.46179 1.77352 -2.59440 1.55307 -0.49481 1.61071 -0.52500 -2.57288 -3.12599 1.01260 -1.08574 -0.98953 -3.13412 1.05072 1.11240 -1.03219 -3.13054 0.50964 -1.57791 2.65406 -1.60632 2.58932 0.53810 2.57624 0.48869 -1.56252 3.03702 0.91216 -1.11248 -1.22035 2.93797 0.91333 0.92062 -1.20424 3.05431 -0.11578 1.96995 -2.24778 2.00973 -2.18772 -0.12227 -2.21254 -0.12681 1.93865 -3.12803 1.05256 -1.05173 -0.94670 -3.04930 1.12960 1.10356 -0.99904 -3.10333 -1.01883 3.13986 1.06012 3.11224 0.98774 -1.09199 1.07666 -1.04784 -3.12757 -1.26537 1.85067 0.84434 -2.32280 2.88009 -0.28705 3.11486 -0.02964 -0.00209 3.13659 -3.11510 0.03280 0.00154 -3.13375 -0.00049 3.13850 -3.13919 -0.00020 0.00158 -3.13891 3.13691 -0.00358 -3.14098 0.00374 0.00320 -3.13527 3.14045 -0.00427 -0.00224 3.13623 0.00001 -0.00001 -0.00001 -0.00002 0.00000 -0.00003 -0.00003 -0.00004 -0.00003 -0.00000 -0.00001 -0.00002 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -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 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -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 0.00001 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 0.00001 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 0.00004 -0.00001 0.00002 0.00009 0.00009 0.00017 0.00016 0.00012 0.00012 0.00011 0.00013 0.00012 0.00005 0.00011 -0.00001 -0.00003 0.00000 -0.00003 0.00001 0.00002 -0.00002 0.00001 0.00000 0.00002 0.00003 -0.00001 -0.00002 -0.00002 -0.00004 0.00001 0.00000 0.00002 0.00000 0.00002 0.00001 0.00002 -0.00001 0.00002 0.00001 -0.00003 -0.00003 -0.00001 -0.00003 -0.00000 0.00004 0.00002 0.00003 0.00003 -0.00001 0.00003 0.00010 -0.00003 -0.00007 0.00008 0.00008 -0.00007 -0.00001 0.00008 -0.00001 0.00007 -0.00007 0.00001 -0.00005 -0.00014 0.00011 0.00002 0.00004 -0.00004 -0.00008 -0.00006 0.00003 0.00003 0.00011 0.00002 -0.00017 0.00013 -0.00009 -0.00002 0.00013 0.00001 -0.00010 0.00000 -0.00008 -0.00001 0.00016 0.00002 -0.00010 0.00002 -0.00004 0.00006 0.00005 -0.00008 0.00004 -0.00010 -0.00010 0.00006 0.00019 -0.00003 -0.00005 -0.00001 0.00004 -0.00002 0.00007 -0.00004 -0.00006 -0.00005 0.00008 0.00005 0.00003 -0.00005 0.00001 -0.00004 0.00003 -0.00004 0.00010 0.00002 -0.00004 0.00002 -0.00003 -0.00006 0.00009 -0.00002 0.00005 -0.00003 -0.00002 0.00004 -0.00002 0.00003 0.00001 -0.00004 0.00003 0.00001 -0.00004 -0.00010 0.00004 0.00006 0.00002 0.00002 -0.00004 -0.00011 -0.00017 -0.00020 -0.00001 0.00004 0.00018 0.00003 0.00022 0.00012 -0.00003 0.00016 -0.00002 0.00003 0.00004 0.00009 -0.00004 0.00001 0.00000 -0.00006 0.00002 -0.00002 -0.00021 -0.00010 -0.00018 -0.00016 -0.00005 -0.00014 -0.00011 0.00000 -0.00009 0.00005 0.00001 0.00006 -0.00004 -0.00008 -0.00003 0.00000 -0.00004 0.00001 0.00014 0.00022 0.00001 0.00013 0.00021 -0.00001 0.00014 0.00022 0.00000 0.00030 0.00050 0.00036 0.00028 0.00048 0.00035 0.00016 0.00035 0.00022 -0.00032 -0.00022 -0.00023 -0.00026 -0.00015 -0.00016 -0.00014 -0.00004 -0.00004 0.00024 0.00037 0.00024 0.00035 0.00048 0.00035 0.00016 0.00029 0.00016 -0.00028 -0.00029 -0.00033 -0.00037 -0.00038 -0.00043 -0.00024 -0.00024 -0.00029 -0.00034 -0.00049 -0.00035 -0.00059 -0.00074 -0.00060 -0.00050 -0.00065 -0.00051 -0.00036 -0.00039 -0.00035 -0.00049 -0.00053 -0.00049 -0.00042 -0.00046 -0.00042 -0.00056 -0.00056 -0.00067 -0.00049 -0.00050 -0.00060 -0.00057 -0.00058 -0.00068 0.00021 0.00016 0.00016 0.00011 0.00025 0.00021 -0.00001 0.00000 0.00003 0.00004 0.00001 -0.00006 -0.00003 -0.00010 -0.00001 0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00007 0.00008 -0.00003 -0.00002 -0.00005 -0.00003 0.00004 0.00002 0.00003 0.00001 -0.00003 -0.00003 -0.00002 -0.00012 -0.00006 -0.00017 -0.00016 -0.00015 -0.00014 -0.00007 -0.00010 -0.00011 -0.00004 -0.00009 0.00000 -0.00003 -0.00003 0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00002 -0.00003 -0.00002 -0.00000 -0.00000 -0.00000 0.00002 -0.00002 -0.00001 -0.00003 -0.00002 -0.00003 -0.00002 -0.00004 -0.00002 -0.00004 -0.00003 0.00002 0.00000 0.00000 0.00001 -0.00000 -0.00006 -0.00003 -0.00006 -0.00003 0.00000 0.00001 -0.00011 0.00003 0.00006 -0.00008 -0.00007 0.00005 -0.00007 -0.00002 -0.00001 -0.00000 0.00005 0.00004 0.00003 0.00011 -0.00009 -0.00004 -0.00003 0.00001 0.00001 0.00005 -0.00001 -0.00001 -0.00004 -0.00003 0.00009 -0.00004 0.00003 0.00001 -0.00007 -0.00003 0.00005 0.00005 0.00003 0.00001 -0.00011 -0.00002 0.00009 -0.00002 -0.00001 -0.00003 -0.00003 0.00004 -0.00004 0.00007 0.00005 -0.00005 -0.00006 0.00000 0.00005 -0.00004 0.00000 0.00002 -0.00003 0.00002 0.00005 0.00001 -0.00004 -0.00002 -0.00001 0.00006 -0.00002 0.00002 -0.00005 0.00002 -0.00004 0.00000 0.00002 -0.00002 0.00003 0.00000 -0.00003 0.00002 -0.00004 0.00002 0.00002 -0.00004 0.00002 -0.00004 0.00001 0.00002 -0.00005 0.00002 0.00003 0.00010 -0.00005 -0.00005 -0.00003 -0.00003 0.00006 -0.00005 -0.00007 -0.00006 0.00000 -0.00017 0.00009 0.00015 0.00009 0.00031 0.00037 0.00031 0.00021 0.00003 0.00001 -0.00018 0.00008 0.00007 -0.00015 0.00004 0.00004 0.00006 -0.00010 -0.00017 -0.00011 -0.00004 -0.00010 -0.00005 -0.00009 -0.00016 -0.00010 -0.00006 -0.00007 -0.00008 -0.00004 -0.00005 -0.00006 -0.00003 -0.00004 -0.00005 0.00001 0.00000 0.00009 -0.00004 -0.00005 0.00004 -0.00005 -0.00006 0.00002 0.00011 0.00004 0.00009 0.00011 0.00003 0.00008 0.00023 0.00016 0.00021 0.00007 0.00003 0.00002 0.00007 0.00002 0.00001 -0.00006 -0.00010 -0.00011 0.00012 0.00007 0.00015 0.00011 0.00007 0.00014 0.00018 0.00013 0.00021 0.00008 0.00004 0.00008 0.00009 0.00005 0.00008 0.00004 0.00000 0.00004 -0.00014 -0.00008 -0.00019 -0.00003 0.00003 -0.00008 -0.00009 -0.00003 -0.00014 0.00003 0.00003 0.00001 0.00013 0.00013 0.00011 0.00008 0.00008 0.00006 0.00014 0.00017 0.00022 0.00010 0.00013 0.00018 0.00015 0.00018 0.00023 -0.00002 0.00003 0.00004 0.00009 0.00001 0.00006 0.00001 0.00001 -0.00003 -0.00004 -0.00001 0.00004 0.00004 0.00009 0.00001 0.00001 0.00002 0.00002 -0.00002 -0.00001 -0.00007 -0.00006 0.00003 0.00000 0.00003 0.00001 -0.00003 -0.00000 -0.00003 -0.00001 0.00001 -0.00004 -0.00001 -0.00003 0.00003 0.00000 0.00000 -0.00004 -0.00003 0.00004 0.00003 0.00001 0.00001 0.00002 -0.00001 -0.00006 -0.00002 -0.00001 -0.00001 0.00000 -0.00004 -0.00001 -0.00001 -0.00000 0.00001 -0.00002 -0.00002 -0.00003 -0.00002 -0.00001 -0.00000 -0.00002 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00000 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00000 -0.00003 -0.00000 -0.00000 0.00003 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00008 0.00006 -0.00002 0.00006 -0.00002 0.00005 -0.00003 -0.00003 0.00002 -0.00002 0.00000 -0.00004 -0.00008 -0.00001 0.00001 0.00002 0.00008 -0.00001 -0.00008 0.00010 -0.00005 -0.00001 0.00006 -0.00001 -0.00005 0.00005 -0.00005 0.00000 0.00005 0.00001 -0.00001 -0.00001 -0.00005 0.00004 0.00002 -0.00005 -0.00000 -0.00003 -0.00005 0.00001 0.00013 -0.00003 -0.00000 -0.00005 0.00005 0.00000 0.00004 -0.00002 -0.00001 -0.00005 0.00004 0.00003 0.00002 0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00006 0.00003 -0.00003 0.00000 0.00000 -0.00006 0.00006 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00002 -0.00002 -0.00002 0.00003 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00016 -0.00024 -0.00027 -0.00001 -0.00014 0.00027 0.00018 0.00031 0.00043 0.00034 0.00047 0.00019 0.00006 0.00004 -0.00009 0.00005 0.00007 -0.00015 -0.00001 0.00006 0.00003 -0.00031 -0.00026 -0.00030 -0.00020 -0.00015 -0.00019 -0.00020 -0.00015 -0.00019 -0.00002 -0.00006 -0.00002 -0.00009 -0.00013 -0.00009 -0.00003 -0.00008 -0.00004 0.00016 0.00022 0.00009 0.00009 0.00016 0.00003 0.00009 0.00016 0.00003 0.00041 0.00053 0.00045 0.00039 0.00051 0.00043 0.00039 0.00051 0.00043 -0.00026 -0.00019 -0.00021 -0.00019 -0.00013 -0.00014 -0.00020 -0.00014 -0.00016 0.00036 0.00045 0.00038 0.00046 0.00055 0.00049 0.00034 0.00043 0.00037 -0.00020 -0.00024 -0.00026 -0.00029 -0.00033 -0.00034 -0.00020 -0.00024 -0.00025 -0.00048 -0.00057 -0.00054 -0.00062 -0.00071 -0.00068 -0.00059 -0.00068 -0.00065 -0.00033 -0.00036 -0.00034 -0.00036 -0.00039 -0.00037 -0.00035 -0.00037 -0.00036 -0.00041 -0.00039 -0.00044 -0.00038 -0.00036 -0.00041 -0.00041 -0.00039 -0.00044 0.00018 0.00019 0.00019 0.00020 0.00026 0.00027 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00002 0.00001 -0.00001 0.00001 0.00002 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00002 -0.00002 0.00001 0.00001 0.00000 0.00001 3.32896 2.68539 1.83531 2.56789 2.75757 2.54767 2.50538 2.50083 2.56477 2.93215 2.94529 2.92815 2.93099 2.91609 2.07167 2.91168 2.92003 2.06581 2.93649 2.06181 2.06848 2.06676 2.06192 2.90686 2.90230 2.07743 2.06029 2.05947 2.85335 2.06336 2.06668 2.06659 2.06417 2.07044 2.05834 2.06774 2.06831 2.64621 2.64057 2.03947 2.62926 2.05102 2.63539 2.05057 2.63122 2.04581 2.62577 2.04582 2.03933 1.88453 2.10645 1.90478 2.26905 1.79470 1.79449 1.91418 1.98228 1.90687 1.80002 1.93190 1.92667 1.81402 2.06331 1.82275 1.98702 1.90446 1.86231 1.80213 1.95644 1.92718 1.96927 1.94058 1.86938 1.86879 1.93652 1.92471 1.95283 1.92906 1.85288 1.84749 1.92611 1.94684 1.92887 1.96628 1.84970 1.92385 1.97372 1.88870 1.91020 1.87045 1.89373 1.95709 1.86628 1.89176 1.94381 1.90688 1.89624 1.95751 1.89385 1.91986 1.92025 1.91282 1.85678 1.93041 1.96312 1.92653 1.87975 1.87792 1.88316 1.96625 1.92471 1.92535 1.89827 1.86223 1.88424 2.10124 2.12247 2.05921 1.92949 2.14475 2.20894 2.12007 2.08590 2.07721 2.12034 2.08622 2.07661 2.07806 2.10979 2.09534 2.07755 2.10931 2.09632 2.00128 2.12496 2.15694 2.08525 2.08679 2.11114 2.94971 -1.32999 0.82930 -3.07447 -0.00692 0.95937 3.09473 -1.14708 -2.09086 0.04450 2.08587 0.00995 -3.13417 3.06840 -0.07572 0.00188 -3.13524 -0.00817 3.13606 0.00385 3.14088 2.75615 -1.30533 0.76036 0.63897 2.86067 -1.35682 -1.42174 0.79996 2.86566 -2.78464 -0.66012 1.42265 -0.71430 1.41021 -2.79019 1.35007 -2.80860 -0.72582 -1.22096 2.97157 0.87672 2.95259 0.86194 -1.23292 0.97082 -1.11983 3.06851 -0.32567 -2.46126 1.77397 -2.59401 1.55359 -0.49437 1.61110 -0.52449 -2.57245 -3.12625 1.01241 -1.08595 -0.98972 -3.13425 1.05058 1.11219 -1.03233 -3.13069 0.50999 -1.57746 2.65444 -1.60586 2.58987 0.53859 2.57658 0.48912 -1.56216 3.03682 0.91192 -1.11273 -1.22064 2.93764 0.91299 0.92043 -1.20447 3.05406 -0.11626 1.96938 -2.24832 2.00911 -2.18844 -0.12295 -2.21313 -0.12749 1.93800 -3.12836 1.05220 -1.05207 -0.94707 -3.04969 1.12922 1.10321 -0.99941 -3.10368 -1.01925 3.13946 1.05968 3.11186 0.98738 -1.09240 1.07624 -1.04823 -3.12802 -1.26519 1.85086 0.84454 -2.32259 2.88036 -0.28678 3.11487 -0.02963 -0.00210 3.13660 -3.11510 0.03278 0.00155 -3.13376 -0.00049 3.13851 -3.13919 -0.00019 0.00157 -3.13892 3.13691 -0.00357 -3.14098 0.00373 0.00318 -3.13530 3.14046 -0.00425 -0.00224 3.13624 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000039 0.000006 0.001478 0.000356 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.155942e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 2 3 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 13 14 14 14 15 15 15 16 16 17 18 18 19 19 20 20 21 21 22 23 6 35 4 12 17 22 17 22 7 8 12 9 11 24 10 13 25 10 26 27 28 29 14 15 30 31 32 16 33 34 36 37 38 39 40 41 18 19 42 20 43 21 44 23 45 23 46 47 1.7616 1.4211 0.9712 1.3589 1.4592 1.3482 1.3258 1.3234 1.3572 1.5516 1.5586 1.5495 1.551 1.5431 1.0963 1.5408 1.5452 1.0932 1.5539 1.0911 1.0946 1.0937 1.0911 1.5382 1.5358 1.0993 1.0903 1.0898 1.5099 1.0919 1.0936 1.0936 1.0923 1.0956 1.0892 1.0942 1.0945 1.4003 1.3973 1.0792 1.3914 1.0854 1.3946 1.0851 1.3924 1.0826 1.3895 1.0826 1.0792 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 6 4 4 12 3 17 2 2 2 7 7 8 6 6 6 9 9 11 6 6 6 10 10 13 7 7 7 10 10 26 8 8 8 9 9 28 7 7 7 14 14 15 3 3 3 6 6 31 8 8 8 16 16 33 11 11 11 36 36 37 11 11 11 39 39 40 13 13 18 3 3 5 16 16 20 16 16 21 18 18 23 19 19 23 4 4 5 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 35 12 17 17 22 22 7 8 12 8 12 12 9 11 24 11 24 24 10 13 25 13 25 25 10 26 27 26 27 27 9 28 29 28 29 29 14 15 30 15 30 30 6 31 32 31 32 32 16 33 34 33 34 34 36 37 38 37 38 38 39 40 41 40 41 41 18 19 19 5 42 42 20 43 43 21 44 44 23 45 45 23 46 46 5 47 47 20 21 21 107.9739 120.6909 109.1357 130.0074 102.8294 102.8163 109.6752 113.5809 109.2522 103.1344 110.6864 110.3909 103.9324 118.2203 104.4375 113.8467 109.1189 106.7025 103.2566 112.0999 110.4198 112.83 111.1855 107.1033 107.0743 110.9593 110.2725 111.8921 110.5275 106.1591 105.8544 110.3606 111.5427 110.519 112.6595 105.9772 110.2281 113.0863 108.2149 109.4494 107.1665 108.5013 112.1357 106.9301 108.3915 111.3751 109.2559 108.6392 112.1585 108.5096 110.0029 110.0198 109.5963 106.3835 110.6053 112.4791 110.3849 107.6994 107.5955 107.8964 112.6572 110.2786 110.316 108.764 106.6988 107.9557 120.3904 121.6102 117.9838 110.5513 122.8885 126.56 121.4712 119.5128 119.0158 121.4863 119.5315 118.9812 119.0643 120.8806 120.055 119.0357 120.8531 120.1111 114.6646 121.752 123.5829 119.4768 119.5648 120.9582 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 35 35 35 12 17 4 4 4 17 17 17 4 4 12 12 3 3 22 22 17 17 2 2 2 8 8 8 12 12 12 2 2 2 7 7 7 12 12 12 2 2 2 7 7 7 8 8 8 6 6 6 11 11 11 24 24 24 6 6 6 9 9 9 24 24 24 6 6 6 13 13 13 25 25 25 6 6 6 10 10 10 25 25 25 7 7 7 26 26 26 27 27 27 7 7 7 15 15 15 30 30 30 7 7 7 14 14 14 30 30 30 8 8 33 33 34 34 13 13 19 19 13 13 18 18 16 16 43 43 16 16 44 44 18 18 45 45 19 19 46 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 6 6 6 4 4 12 12 12 12 12 12 17 17 17 17 22 22 17 17 22 22 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 7 8 12 22 22 6 31 32 6 31 32 5 42 5 42 5 47 3 42 4 47 9 11 24 9 11 24 9 11 24 10 13 25 10 13 25 10 13 25 3 31 32 3 31 32 3 31 32 10 26 27 10 26 27 10 26 27 14 15 30 14 15 30 14 15 30 9 28 29 9 28 29 9 28 29 16 33 34 16 33 34 16 33 34 8 28 29 8 28 29 8 28 29 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 18 19 18 19 18 19 20 43 20 43 21 44 21 44 23 45 23 45 23 46 23 46 1 21 1 21 1 20 1 169.0149 -76.1893 47.5309 -176.154 -0.3883 54.9525 177.3048 -65.741 -119.8223 2.5299 119.4842 0.5592 -179.578 175.8042 -4.3329 0.1053 -179.64 -0.4597 179.6837 0.2169 179.957 157.9336 -74.7751 43.5823 36.6219 163.9132 -77.7294 -81.448 45.8433 164.2007 -159.5471 -37.8187 81.5134 -40.9215 80.8069 -159.8611 77.3551 -160.9165 -41.5845 -69.9649 170.2458 50.2272 169.1653 49.3761 -70.6426 55.6189 -64.1704 175.811 -18.683 -141.05 101.6152 -148.6484 88.9845 -28.3503 92.2866 -30.0804 -147.4152 -179.1062 58.0179 -62.2084 -56.696 -179.5719 60.2018 63.7356 -59.1403 -179.3666 29.2001 -90.4075 152.0664 -92.0353 148.3571 30.831 147.6077 28.0001 -89.526 174.0085 52.2629 -63.7401 -69.9212 168.3332 52.3302 52.7479 -68.9977 174.9993 -6.6338 112.8697 -128.7885 115.1492 -125.3474 -7.0055 -126.769 -7.2655 111.0763 -179.2229 60.3073 -60.2598 -54.2421 -174.7119 64.721 63.2293 -57.2406 -177.8076 -58.3748 179.9005 60.7406 178.3182 56.5935 -62.5664 61.6879 -60.0369 -179.1968 -72.5006 106.0357 48.3773 -133.0864 165.017 -16.4467 178.4685 -1.6981 -0.1199 179.7135 -178.4818 1.879 0.0884 -179.5508 -0.0282 179.8226 -179.8624 -0.0116 0.0905 -179.8464 179.7316 -0.2053 -179.9646 0.2141 0.1833 -179.638 179.9344 -0.2445 -0.1282 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0579159451 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.4049,-3.1246,.4134;-1.8402,1.2332,-1.6883;-1.0875,2.8565,.704;-.5883,3.4312,-.3942;.5161,4.1421,1.4152;-1.8378,.7485,-.3759;-2.8835,-.3776,-.2274;-.5182,.0468,.0323;-2.4004,-1.1796,.9978;-.9316,-.7824,1.2481;-4.366,.012,-.1527;-2.16,1.8909,.6104;.0519,-.8188,-1.1016;-5.2247,-1.2443,-.008;-4.8514,.8103,-1.3605;1.3848,-1.4093,-.7396;-.4127,3.2893,1.774;2.5226,-.6069,-.6913;1.5264,-2.756,-.4249;3.7577,-1.1228,-.3392;2.7553,-3.2932,-.0697;.3712,4.1931,.0799;3.8664,-2.4695,-.0274;-2.7715,-.9992,-1.1243;.254,.775,.2998;-2.5029,-2.2513,.8267;-3.0157,-.9595,1.8743;-.8428,-.1891,2.1613;-.2801,-1.6438,1.397;-4.524,.6167,.7507;-2.3373,1.5143,1.618;-3.0654,2.4095,.2911;.1548,-.2103,-2.0013;-.6442,-1.6219,-1.3577;-1.3094,2.0426,-1.716;-6.2824,-.9855,.0567;-4.9772,-1.8236,.8817;-5.1016,-1.8986,-.8744;-4.3449,1.7655,-1.4785;-5.9212,1.0091,-1.2751;-4.6918,.2516,-2.2843;-.6305,2.9645,2.78;2.4458,.4456,-.9388;.6611,-3.4072,-.4633;4.6308,-.4856,-.3106;2.8462,-4.3437,.1693;.9819,4.8066,-.5637; 0.000000 8.711991 0.000000 8.832326 2.987508 0.000000 8.919036 2.841369 1.336272 0.000000 8.815255 4.862688 2.174861 2.235831 0.000000 8.251066 1.399070 2.484571 2.959506 4.501719 0.000000 8.755237 2.411948 3.814833 4.450071 5.889258 1.543922 0.000000 6.729491 2.472962 2.944517 3.411918 4.444543 1.549272 2.417064 0.000000 8.065136 3.653808 4.254473 5.145976 6.082842 2.433302 1.541939 2.445155 0.000000 6.806882 3.675700 3.682695 4.535378 5.135607 2.408773 2.480115 1.528647 1.542011 0.000000 10.277650 3.198344 4.424277 5.101073 6.584189 2.642797 1.534702 3.852447 2.570481 3.793268 0.000000 9.078653 2.412220 1.446242 2.419147 3.588537 1.543247 2.524136 2.535841 3.104152 3.010343 2.996480 0.000000 6.022138 2.852200 4.250518 4.355808 5.582146 2.560086 3.094456 1.536197 3.248241 2.547498 4.594472 3.894350 0.000000 10.802841 4.518448 5.868621 6.595941 7.999777 3.946887 2.506098 4.880553 2.998780 4.496913 1.528596 4.427660 5.405528 0.000000 11.127567 3.058409 4.755666 5.096787 6.900411 3.171021 2.562788 4.615154 3.940675 4.970599 1.526997 3.506487 5.173404 2.487998 0.000000 4.520308 4.275866 5.137476 5.238581 6.017945 3.895264 4.420965 2.517385 4.171138 3.116024 5.952855 5.027837 1.502049 6.651885 6.648493 0.000000 8.765514 4.272398 1.337002 2.179976 1.311012 3.620626 4.853554 3.682256 4.952263 4.138198 5.484708 2.522492 5.036065 6.847279 5.972685 5.623730 0.000000 3.983332 4.838769 5.193755 5.106083 5.569208 4.577028 5.430788 3.193289 5.236034 3.965254 6.937306 5.464426 2.513435 7.803423 7.538726 1.393106 5.465732 0.000000 3.985130 5.370617 6.293468 6.538678 7.210435 4.858138 5.014296 3.499288 4.464152 3.568762 6.515913 6.021220 2.526767 6.930848 7.366879 1.390196 6.718742 2.383638 0.000000 2.699397 6.221531 6.356100 6.295239 6.426920 5.900231 6.683842 4.448535 6.301796 4.962365 8.204769 6.708492 3.795597 8.989348 8.882436 2.423485 6.428476 1.384094 2.766443 0.000000 2.698556 6.650244 7.292769 7.516759 7.905799 6.125740 6.349898 4.677738 5.673383 4.651202 7.851392 7.176136 3.807247 8.239040 8.738811 2.424033 7.534222 2.766995 1.387384 2.405761 0.000000 8.888111 4.096109 2.074593 1.313730 1.344124 4.117403 5.619552 4.240938 6.114794 5.274277 6.322786 3.462526 5.159210 7.803088 6.387019 5.752041 2.074047 5.316330 7.062543 6.316918 7.858143 0.000000 1.729271 7.002422 7.310502 7.402537 7.551102 6.558569 7.069482 5.055714 6.479767 5.243497 8.599256 7.465783 4.292902 9.173331 9.409330 2.791038 7.397325 2.390804 2.390747 1.386578 1.383739 7.524552 0.000000 8.586923 2.483783 4.587559 4.992842 6.609903 2.118129 1.096993 2.740280 2.161775 3.010093 2.123482 3.425734 2.829284 2.706334 2.767029 4.194135 5.688234 5.326228 4.695468 6.577419 6.076147 6.187684 6.886721 0.000000 6.461569 2.923722 2.509124 2.871641 3.556658 2.198371 3.383868 1.094651 3.369505 2.174989 4.704456 2.677517 2.131935 5.847135 5.368737 2.670273 2.989891 2.835210 3.822630 4.035625 4.789899 3.427156 4.866604 3.785482 0.000000 7.966611 4.348074 5.301718 6.119401 7.094798 3.299555 2.183224 3.138668 1.090047 2.191870 3.090763 4.161932 3.506749 3.019735 4.435385 4.275076 5.997051 5.501234 4.249341 6.467471 5.434871 7.095681 6.430050 2.333656 4.127569 0.000000 8.816401 4.345364 4.432832 5.506122 6.221852 3.060767 2.184774 3.262446 1.093399 2.183393 2.622196 3.233345 4.276256 2.916145 4.118992 5.138039 4.983822 6.113877 5.398633 7.127841 6.521505 6.421945 7.298005 3.008791 4.022324 1.740451 0.000000 7.120820 4.223361 3.385187 4.438704 4.600328 2.882026 3.147282 2.166482 2.181901 1.092529 4.219919 2.909748 3.441389 5.001998 5.428659 3.855646 3.526269 4.431406 4.346328 5.318755 5.249640 5.001034 5.671644 3.894961 2.365943 2.964681 2.323214 0.000000 5.956455 4.497780 4.624445 5.390683 5.840499 3.360436 3.319563 2.185710 2.206884 1.090252 4.673125 4.080072 2.652108 5.155835 5.875670 2.718795 4.949321 3.645684 2.796405 4.426041 3.753020 6.019070 4.461434 3.602676 2.709257 2.373828 2.860037 1.736931 0.000000 10.615758 3.678539 4.102279 4.972157 6.186525 2.915886 2.153257 4.109438 2.792438 3.887220 1.098482 2.689167 5.141090 2.128394 2.145155 6.421786 5.009300 7.295944 7.026016 8.532345 8.303508 6.099525 8.973828 3.032819 4.801861 3.509396 2.453960 4.023696 4.851640 0.000000 9.105622 3.355243 2.049181 3.283731 3.884468 2.193498 2.698653 2.824403 2.765069 2.718004 3.083428 1.090199 4.306718 4.311667 3.960711 5.287672 2.622883 5.783663 6.110417 6.923483 7.203777 4.108350 7.554108 3.745134 2.999854 3.851322 2.577878 2.330289 3.775524 2.517792 0.000000 10.118673 2.608271 2.069420 2.765835 4.134358 2.170482 2.840762 3.483931 3.717987 3.956932 2.763435 1.091158 4.698885 4.254705 2.911175 5.953971 3.163871 6.425688 6.948381 7.709079 8.156654 3.877690 8.482731 3.702598 3.700015 4.725039 3.722804 3.897453 5.040871 2.356444 1.758429 0.000000 6.472105 2.482183 4.274010 4.049078 5.544881 2.744309 3.522182 2.157354 4.057394 3.473627 4.889211 4.073529 1.091045 5.829319 5.149191 2.131295 5.178999 2.734957 3.293476 4.071439 4.471889 4.875218 4.772509 3.155101 2.505119 4.384779 5.062973 4.280445 3.713807 5.490718 4.720530 4.742119 0.000000 6.479711 3.113087 4.950176 5.144500 6.500739 2.829752 2.800089 2.175450 2.971196 2.752806 4.239575 4.302438 1.093258 4.790116 4.859700 2.131679 5.829417 3.391602 2.620647 4.545713 4.001059 6.075592 4.778487 2.228823 3.049555 2.936410 4.063146 3.804684 2.778755 4.950735 4.642974 4.983318 1.745093 0.000000 8.735901 0.968363 2.562871 2.048252 4.188626 1.936469 3.248296 2.768701 4.351728 4.112113 3.988817 2.481667 3.227763 5.389906 3.767113 4.486354 3.812970 4.770097 5.721454 6.131150 6.906656 3.267146 7.071030 3.426497 2.848570 5.131006 4.981460 4.497935 4.933550 4.295546 3.528637 2.692001 2.701932 3.741621 0.000000 11.886781 5.263150 6.493619 7.220360 8.623078 4.790445 3.464479 5.855941 3.999167 5.485601 2.170530 5.057056 6.441501 1.090819 2.698346 7.720042 7.461666 8.844778 8.021483 10.048848 9.328500 8.431440 10.257082 3.704214 6.773705 4.059489 3.738362 5.886590 6.185226 2.477998 4.924379 4.682925 6.802437 5.847629 6.086287 0.000000 10.473710 5.078366 6.088107 6.964466 8.127161 4.248891 2.775691 4.909411 2.658578 4.193452 2.193865 4.669837 5.498617 1.090212 3.461383 6.578333 6.911784 7.758903 6.698745 8.847584 7.928141 8.090093 8.913610 3.093311 5.869995 2.511520 2.362003 4.626152 4.728631 2.485509 4.318804 4.682200 6.103379 4.881626 5.928642 1.756929 0.000000 10.655879 4.594240 6.419919 7.000513 8.560988 4.231763 2.766188 5.061011 3.364275 4.810388 2.170748 5.021660 5.270312 1.092578 2.763517 6.506183 7.477566 7.734969 6.698338 8.909295 8.020157 8.244454 9.025993 2.510083 6.099948 3.125877 3.576021 5.502195 5.335782 3.049746 5.049762 4.905485 5.634670 4.492036 5.533732 1.759238 1.762111 0.000000 11.070346 2.569288 4.069990 4.250035 6.136092 2.921674 2.879997 4.458774 4.311319 5.057450 2.198475 3.025409 5.114056 3.463498 1.087616 6.592063 5.325761 7.308295 7.485139 8.677214 8.831108 5.528470 9.352441 3.200827 5.029313 4.984173 4.520451 5.416051 6.034516 2.514230 3.698909 2.276740 4.942103 5.018478 3.057431 3.698506 4.341992 3.789894 0.000000 12.174519 4.107983 5.540249 5.923044 7.648012 4.189360 3.499747 5.641588 4.727850 5.871310 2.161595 4.298686 6.248966 2.677422 1.091415 7.714434 6.696260 8.616814 8.388425 9.955017 9.759286 7.181099 10.462071 3.738550 6.377156 5.170314 4.715496 6.247704 6.782316 2.491944 4.633436 3.545340 6.239500 5.897102 4.746726 2.425414 3.683425 3.047452 1.760149 0.000000 10.982757 3.074183 5.357891 5.524628 7.479631 3.469094 2.810156 4.777839 4.251026 5.261830 2.169645 4.180465 5.004809 2.775472 1.091350 6.486144 6.633912 7.437926 7.153312 8.778827 8.539887 6.838079 9.259709 2.568667 5.604736 4.553476 4.644388 5.896781 6.050455 3.061454 4.729217 3.732881 4.876789 4.555457 3.869335 3.088789 3.796304 2.603676 1.749722 1.761696 0.000000 8.894040 4.942304 2.128383 3.208594 2.136409 4.040751 5.028898 4.009440 4.845864 4.059107 5.592124 2.863437 5.463120 6.825965 6.292846 5.964802 1.079282 5.894610 6.902739 6.759592 7.664368 3.131078 7.591602 5.961394 3.424514 5.875832 4.680528 3.220754 4.824122 4.978907 2.523244 3.525789 5.792752 6.177069 4.639454 7.413648 6.739639 7.549445 5.776625 6.946808 7.035685 0.000000 4.830221 4.421757 4.582117 4.291397 4.788403 4.331022 5.439255 3.144418 5.465982 4.206822 6.870771 5.069759 2.712201 7.909433 7.318522 2.146197 4.859749 1.083952 3.370384 2.130863 3.850873 4.402892 3.368482 5.416875 2.539019 5.905923 6.302102 4.563797 4.153574 7.173707 5.527893 5.978564 2.609222 3.741468 4.154027 8.900597 7.972715 7.903335 6.938882 8.392704 7.265977 5.444046 0.000000 4.832423 5.411982 6.607143 6.951907 7.780824 4.849870 4.668822 3.683208 4.058218 3.514984 6.087625 6.097592 2.734570 6.287094 6.998562 2.142781 7.141551 3.370234 1.083665 3.850031 2.133934 7.625187 3.367999 4.244707 4.270710 3.607091 4.997466 4.416556 2.730561 6.674613 6.127212 6.949065 3.583541 2.385521 5.928895 7.372018 6.008860 5.971025 7.269650 7.967978 6.734721 7.265349 4.272604 0.000000 2.843942 6.835605 6.700593 6.525845 6.428373 6.585533 7.515514 5.187760 7.185424 5.784247 9.011951 7.253321 4.658598 9.889270 9.627763 3.402033 6.635674 2.145725 3.847699 1.081265 3.384942 6.339283 2.144872 7.464561 4.595411 7.436433 7.966658 6.013176 5.326739 9.281778 7.501560 8.244687 4.792584 5.496658 6.606976 10.930775 9.773648 9.850545 9.327118 10.700850 9.557732 7.009689 2.456769 4.931271 0.000000 2.844738 7.517641 8.222161 8.518383 8.887666 6.940284 6.979768 5.533046 6.182596 5.302707 8.431659 8.007945 4.674198 8.647401 9.389274 3.401883 8.453341 3.848248 2.148469 3.385772 1.081258 8.888832 2.142912 6.664670 5.739193 5.781331 6.980153 5.902335 4.309351 8.903041 7.955115 8.975984 5.388963 4.682209 7.849110 9.727382 8.250064 8.380683 9.578700 10.373366 9.162972 8.503715 4.932116 2.460138 4.277864 0.000000 9.133529 4.690254 3.113241 2.094252 2.138760 4.945125 6.475388 5.026061 7.050720 6.179066 7.194290 4.444285 5.727090 8.685893 7.115692 6.231411 3.116401 5.629912 7.583419 6.550839 8.306288 1.078615 7.845362 6.936157 4.186737 7.993157 7.427859 5.975963 6.858924 7.042590 5.159128 4.780974 5.283906 6.678389 3.770611 9.311463 9.031041 9.058966 6.201652 7.910744 7.476628 4.144054 4.615392 8.220626 6.433128 9.367012 0.000000 C18H24ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.376,-.1503,.3423;-2.0932,.0967,-1.6853;-2.1358,2.206,.43;-1.9741,2.7822,-.7648;-1.2934,4.1656,.8544;-1.8477,-.1423,-.3288;-2.2552,-1.5864,.0347;-.3472,-.1027,.0546;-1.4383,-1.8988,1.3046;-.3137,-.8472,1.3893;-3.7493,-1.9059,.1791;-2.6446,.8564,.5368;.54,-.7664,-1.0095;-3.9308,-3.3803,.5396;-4.5662,-1.5954,-1.073;2.0004,-.6295,-.6861;-1.7197,3.0448,1.3843;2.6416,.5996,-.8234;2.751,-1.7052,-.2255;3.9808,.7563,-.511;4.0944,-1.5696,.0931;-1.466,3.9552,-.4619;4.7021,-.3348,-.0507;-1.8833,-2.2098,-.7879;.007,.9264,.1719;-1.0385,-2.9123,1.2709;-2.0724,-1.86,2.1945;-.494,-.1554,2.2155;.6635,-1.2882,1.5878;-4.154,-1.3175,1.0137;-2.6131,.5877,1.5929;-3.6918,.8564,.2305;.3373,-.3121,-1.9805;.2879,-1.8252,-1.1126;-1.9951,1.0458,-1.8509;-4.9877,-3.6235,.6562;-3.4307,-3.6513,1.4696;-3.5336,-4.0229,-.2498;-4.5582,-.542,-1.3435;-5.6059,-1.8939,-.9278;-4.1815,-2.1456,-1.9335;-1.748,2.803,2.4358;2.0851,1.4555,-1.1876;2.2821,-2.6763,-.1178;4.4628,1.7172,-.6274;4.6625,-2.4186,.4476;-1.2162,4.6807,-1.22; 0.3432273 0.1310054 0.1040917 -101.55360 -19.12210 -14.42171 -14.35743 -14.31994 -10.25450 -10.24327 -10.23691 -10.23620 -10.23448 -10.18973 -10.18813 -10.18808 -10.18505 -10.18438 -10.18276 -10.18247 -10.18053 -10.17620 -10.17561 -10.17426 -10.16250 -10.15489 -9.46884 -7.23327 -7.22368 -7.22333 -1.11783 -1.04154 -0.93417 -0.90304 -0.87668 -0.86161 -0.84929 -0.81071 -0.77580 -0.76643 -0.76053 -0.72360 -0.70653 -0.68898 -0.66750 -0.65723 -0.63084 -0.62316 -0.60399 -0.59924 -0.58204 -0.57049 -0.54978 -0.52987 -0.51887 -0.50922 -0.49571 -0.49063 -0.47541 -0.47248 -0.47065 -0.46019 -0.44329 -0.43980 -0.43802 -0.43068 -0.43050 -0.41968 -0.41493 -0.40846 -0.40136 -0.39526 -0.38973 -0.37863 -0.37128 -0.36616 -0.36226 -0.35521 -0.34872 -0.34428 -0.33862 -0.33284 -0.32510 -0.32416 -0.31945 -0.31701 -0.30878 -0.30070 -0.28919 -0.27832 -0.27111 -0.24503 -0.02832 -0.02373 -0.02250 -0.01413 -0.00276 0.00142 0.00797 0.01365 0.01632 0.01940 0.02284 0.02701 0.02930 0.03330 0.03704 0.04150 0.04399 0.04987 0.05261 0.05448 0.05680 0.05978 0.06414 0.06661 0.06921 0.07216 0.07740 0.08171 0.08252 0.08731 0.08901 0.09264 0.09548 0.10037 0.10528 0.10950 0.11156 0.11387 0.11782 0.12006 0.12096 0.12442 0.12868 0.13081 0.13486 0.13639 0.14163 0.14230 0.14376 0.14725 0.15057 0.15243 0.15635 0.16162 0.16275 0.16383 0.16808 0.16952 0.17243 0.17505 0.17661 0.18004 0.18192 0.18373 0.18691 0.18891 0.19073 0.19341 0.19540 0.19698 0.19899 0.20249 0.20432 0.20802 0.21025 0.21100 0.21506 0.21753 0.22059 0.22289 0.22576 0.22865 0.23039 0.23449 0.23623 0.24021 0.24162 0.24529 0.24579 0.24835 0.25070 0.25234 0.25383 0.25910 0.25945 0.26176 0.26673 0.27290 0.27533 0.27665 0.28082 0.28171 0.28571 0.28720 0.28940 0.29234 0.29479 0.29584 0.29914 0.30349 0.30568 0.31187 0.31607 0.31855 0.32044 0.32515 0.32872 0.33419 0.33543 0.34316 0.34420 0.34626 0.35001 0.35217 0.35389 0.36101 0.36849 0.37189 0.37990 0.38332 0.39090 0.39371 0.39955 0.41259 0.41671 0.42506 0.42994 0.43477 0.43847 0.44497 0.44951 0.45208 0.45719 0.46491 0.46750 0.47223 0.47925 0.49139 0.49828 0.50755 0.51323 0.51674 0.52766 0.53152 0.53379 0.54367 0.54809 0.55102 0.55930 0.56687 0.56819 0.57456 0.57918 0.58372 0.58594 0.59624 0.59747 0.60237 0.61177 0.61528 0.62013 0.62496 0.62923 0.63314 0.64258 0.64837 0.65494 0.65833 0.66608 0.67002 0.67080 0.67359 0.67999 0.68134 0.68455 0.69000 0.69584 0.70095 0.70439 0.70768 0.71412 0.71496 0.71780 0.72362 0.72587 0.72975 0.73268 0.73838 0.74168 0.74650 0.75512 0.75989 0.76493 0.76980 0.77034 0.77879 0.78067 0.78620 0.79036 0.79500 0.80128 0.80936 0.81320 0.82179 0.83471 0.83736 0.83885 0.84691 0.85561 0.86111 0.86435 0.86555 0.86968 0.87580 0.87751 0.88473 0.89359 0.89817 0.90845 0.91125 0.92028 0.92854 0.93867 0.94610 0.95785 0.96116 0.96716 0.97408 0.98860 0.99091 1.00508 1.01032 1.02148 1.02344 1.03866 1.04041 1.06031 1.06260 1.07967 1.08044 1.08433 1.09224 1.10423 1.11104 1.11716 1.13457 1.13705 1.15923 1.16565 1.17589 1.18666 1.19672 1.20161 1.22621 1.22840 1.24631 1.25442 1.25932 1.26879 1.28370 1.29035 1.30521 1.30890 1.31994 1.32623 1.33803 1.35312 1.35412 1.35809 1.38047 1.38837 1.40518 1.41750 1.42803 1.44293 1.44703 1.46001 1.46950 1.47631 1.49034 1.50121 1.50590 1.51287 1.51650 1.52712 1.53064 1.54496 1.55230 1.55618 1.56110 1.56533 1.57350 1.57789 1.58965 1.59436 1.60145 1.61441 1.61691 1.62528 1.63347 1.63979 1.64410 1.64832 1.65668 1.66250 1.66662 1.67742 1.67926 1.69227 1.69437 1.70032 1.70755 1.71341 1.72193 1.72867 1.73513 1.74489 1.75020 1.76136 1.76681 1.77036 1.78090 1.78355 1.78638 1.79777 1.81252 1.82216 1.82532 1.82983 1.84005 1.84744 1.85025 1.86651 1.87014 1.87522 1.88112 1.88858 1.90050 1.91005 1.91810 1.92993 1.93299 1.93675 1.94834 1.95356 1.95395 1.97141 1.97724 1.97965 1.98448 1.99741 2.01079 2.02722 2.03317 2.04793 2.06190 2.07197 2.07885 2.08743 2.10723 2.11028 2.12021 2.13232 2.14972 2.15779 2.16393 2.17574 2.17942 2.19388 2.21908 2.22312 2.23588 2.24546 2.25055 2.26497 2.27340 2.27653 2.28100 2.29144 2.32032 2.32275 2.33472 2.34146 2.34805 2.36239 2.37481 2.37839 2.39912 2.40172 2.40843 2.41239 2.42013 2.43016 2.44800 2.44897 2.46163 2.46790 2.47382 2.48910 2.50392 2.51027 2.52294 2.52985 2.54330 2.54792 2.56043 2.56645 2.57603 2.58166 2.58961 2.59735 2.61117 2.61726 2.62399 2.63447 2.63917 2.64423 2.64667 2.66902 2.67558 2.68261 2.69102 2.69810 2.70996 2.71064 2.71579 2.72634 2.73320 2.75203 2.75550 2.76147 2.77404 2.77488 2.78015 2.78590 2.80183 2.81568 2.81841 2.83814 2.84143 2.84669 2.85901 2.86462 2.89298 2.89990 2.90742 2.91171 2.92381 2.92750 2.92833 2.93772 2.94203 2.95396 2.95843 2.96407 2.97734 2.98370 3.00458 3.03002 3.05898 3.07272 3.08966 3.10974 3.11878 3.12364 3.13610 3.14217 3.15521 3.18405 3.19735 3.20449 3.21364 3.22523 3.23764 3.28932 3.31057 3.32226 3.34210 3.36120 3.38729 3.42379 3.43496 3.49144 3.50921 3.54368 3.56588 3.57738 3.60962 3.62480 3.66125 3.68973 3.69501 3.72424 3.78299 3.80020 3.81480 3.82968 3.83418 3.84104 3.84787 3.85143 3.88709 3.92650 3.93639 3.94537 3.99006 4.00180 4.02326 4.08952 4.10185 4.15200 4.15354 4.16220 4.16813 4.23684 4.26978 4.31092 4.35590 4.39412 4.41490 4.46597 4.48415 4.67159 4.82547 4.84957 5.11429 5.23602 5.46851 5.50688 5.73864 9.79433 23.55635 23.79408 23.84971 23.86312 23.88264 23.91788 23.93762 23.95352 23.96463 23.96952 23.97211 23.97836 23.99054 24.00175 24.01289 24.09153 24.11910 24.20130 25.84170 26.12898 26.63304 35.48161 35.55893 35.69909 50.01339 215.78640 1-A. -2.6791 -1.7204 1.6235 3.5739 -159.8109 -151.8291 -148.4065 0.6084 -7.6373 -6.0690 -6.4621 1.5197 4.9424 0.6084 -7.6373 -6.0690 -101.6872 -57.2521 12.6841 27.2494 5.6987 18.6456 -6.8657 14.3450 -36.7542 -7.7940 -9970.6711 -3820.5991 -825.4119 6.8029 -24.4479 12.2992 -199.8886 -6.9261 8.3678 -2130.0679 -1764.0301 -724.9130 -18.6169 37.3226 -17.5026 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.493,-3.0508,.4077;-1.8583,1.2194,-1.6815;-1.0696,2.8541,.7027;-.5727,3.4367,-.4199;.6358,4.0575,1.3844;-1.866,.7329,-.3464;-2.9286,-.3889,-.2053;-.5422,.0206,.0652;-2.4614,-1.1917,1.0368;-.9652,-.8427,1.2694;-4.4168,.0169,-.1623;-2.1732,1.9028,.622;.0528,-.8139,-1.0912;-5.3034,-1.2293,.0024;-4.8632,.8016,-1.4048;1.4059,-1.3864,-.7429;-.3284,3.2338,1.7628;2.5301,-.5545,-.6722;1.5747,-2.7429,-.4531;3.7814,-1.0525,-.3227;2.8199,-3.2631,-.1013;.446,4.1474,.0435;3.9139,-2.4088,-.037;-2.796,-1.0055,-1.102;.2134,.7564,.3526;-2.6112,-2.2623,.8886;-3.0597,-.9188,1.9119;-.8424,-.2828,2.2008;-.3369,-1.7295,1.367;-4.5755,.6475,.7242;-2.3567,1.5427,1.6346;-3.0598,2.4333,.275;.1327,-.1759,-1.9737;-.631,-1.6248,-1.3578;-1.32,2.0275,-1.7029;-6.3606,-.95,.0198;-5.089,-1.7756,.9236;-5.1561,-1.9162,-.8384;-4.2867,1.7135,-1.5546;-5.9227,1.0637,-1.3273;-4.7308,.1942,-2.3056;-.5258,2.8937,2.7679;2.4282,.5024,-.897;.7218,-3.4115,-.5073;4.6448,-.4012,-.2738;2.9395,-4.3163,.1188;1.0625,4.7478,-.6077; 0.000000 8.754518 0.000000 8.833009 2.996423 0.000000 8.919861 2.856696 1.358882 0.000000 8.664485 4.865760 2.195815 2.258669 0.000000 8.308974 1.421072 2.496853 2.998104 4.506446 0.000000 8.853505 2.431395 3.846719 4.497960 5.916340 1.551606 0.000000 6.780434 2.494116 2.951829 3.450515 4.407381 1.558562 2.436315 0.000000 8.192973 3.683364 4.291558 5.206893 6.104784 2.443769 1.551012 2.469226 0.000000 6.879388 3.709207 3.741436 4.617455 5.156405 2.429948 2.497127 1.540828 1.553930 0.000000 10.389377 3.209347 4.472262 5.151534 6.651886 2.655757 1.543116 3.881223 2.592701 3.834345 0.000000 9.129872 2.423325 1.459228 2.449508 3.621429 1.549507 2.550891 2.552053 3.135502 3.068605 3.034023 0.000000 6.070091 2.852274 4.234619 4.348488 5.495402 2.574679 3.139140 1.545225 3.315516 2.570887 4.640066 3.907790 0.000000 10.956439 4.549741 5.923609 6.658015 8.070605 3.973331 2.527619 4.922862 3.024599 4.535947 1.538247 4.471243 5.482408 0.000000 11.197120 3.046342 4.800526 5.130496 6.972783 3.179302 2.568767 4.630473 3.962712 5.004910 1.535824 3.543501 5.184080 2.509631 0.000000 4.560530 4.280946 5.118507 5.223086 5.895256 3.918356 4.480159 2.535283 4.261638 3.157017 6.017460 5.048921 1.509939 6.752353 6.672797 0.000000 8.672933 4.273400 1.348168 2.205720 1.323402 3.614910 4.874274 3.640365 4.966097 4.155316 5.547010 2.544874 4.967342 6.911514 6.042652 5.534595 0.000000 4.021939 4.839870 5.144617 5.061678 5.393405 4.592322 5.481187 3.211544 5.314400 4.008762 6.989013 5.462145 2.525891 7.891408 7.552251 1.400322 5.333994 0.000000 4.023521 5.384674 6.297133 6.542081 7.106526 4.891868 5.087462 3.519452 4.573436 3.609495 6.602940 6.065059 2.538547 7.057352 7.410455 1.397339 6.652206 2.397861 0.000000 2.730559 6.230172 6.312310 6.254612 6.238668 5.922940 6.743776 4.471671 6.390684 5.010865 8.269206 6.714456 3.814475 9.092315 8.907144 2.435390 6.293777 1.391356 2.782773 0.000000 2.729379 6.669033 7.293416 7.516469 7.782529 6.163195 6.427817 4.702528 5.786029 4.697179 7.945531 7.220833 3.825595 8.374630 8.789188 2.435791 7.456197 2.783196 1.394598 2.420749 0.000000 8.798737 4.105971 2.098655 1.325788 1.357230 4.142050 5.659362 4.243575 6.160070 5.328735 6.383600 3.497618 5.104607 7.871877 6.440485 5.671179 2.095313 5.192659 6.999721 6.188522 7.782730 0.000000 1.761605 7.013414 7.285674 7.378753 7.387802 6.585850 7.136439 5.076397 6.578741 5.288202 8.677601 7.488516 4.308544 9.292556 9.445366 2.798926 7.285270 2.399351 2.399315 1.392392 1.389515 7.417328 0.000000 8.670007 2.482967 4.597066 5.014041 6.602495 2.111283 1.096284 2.737579 2.172857 3.000290 2.134347 3.437734 2.855181 2.748982 2.762315 4.234326 5.680419 5.362392 4.747872 6.623535 6.134822 6.194726 6.937308 0.000000 6.509339 2.940135 2.483738 2.898032 3.484294 2.193872 3.390472 1.093187 3.379083 2.187845 4.717059 2.661355 2.139243 5.873723 5.372346 2.685812 2.901636 2.852376 3.840192 4.056946 4.812044 3.412993 4.885111 3.778400 0.000000 8.156625 4.392560 5.346761 6.192368 7.122376 3.324339 2.192419 3.188999 1.091061 2.206679 3.091788 4.196504 3.621312 3.016679 4.440499 4.423313 6.015128 5.637876 4.421836 6.617838 5.610519 7.151528 6.592059 2.361395 4.168670 0.000000 8.941885 4.350634 4.433631 5.531053 6.220820 3.041830 2.186392 3.260420 1.094614 2.192209 2.649376 3.226597 4.326354 2.962548 4.148750 5.216160 4.972532 6.169042 5.513483 7.198089 6.642182 6.437945 7.392603 3.026662 3.993863 1.747384 0.000000 7.142435 4.285039 3.483683 4.558004 4.657233 2.927038 3.186344 2.177827 2.191406 1.093684 4.295364 3.006745 3.452665 5.062543 5.508411 3.864989 3.580817 4.438734 4.351733 5.323555 5.252999 5.093185 5.670157 3.904768 2.368648 2.961208 2.324750 0.000000 6.054266 4.506036 4.689039 5.471526 5.868182 3.367015 3.314500 2.190751 2.216231 1.091126 4.694006 4.137678 2.651951 5.174743 5.880107 2.758035 4.978998 3.709323 2.827367 4.502668 3.804367 6.074713 4.527980 3.559066 2.740686 2.384305 2.892720 1.744606 0.000000 10.730902 3.673930 4.142598 5.011146 6.262810 2.914626 2.156453 4.134577 2.819539 3.943674 1.099340 2.712471 5.181941 2.138453 2.153798 6.485839 5.079994 7.340657 7.120784 8.592107 8.406297 6.158664 9.054906 3.038737 4.804573 3.514565 2.482207 4.120933 4.901913 0.000000 9.177297 3.368954 2.060249 3.315226 3.916838 2.195706 2.728318 2.841170 2.801023 2.785684 3.130677 1.090271 4.334684 4.362539 4.008725 5.328138 2.643856 5.796628 6.179043 6.945669 7.273633 4.143780 7.598000 3.765033 2.977774 3.885797 2.574915 2.438464 3.854650 2.560063 0.000000 10.160789 2.597074 2.078610 2.770434 4.186452 2.168539 2.865760 3.493285 3.752204 4.013489 2.805616 1.089841 4.700916 4.303787 2.955726 5.963859 3.211689 6.408660 6.985737 7.701257 8.195114 3.909277 8.495615 3.713554 3.678520 4.756642 3.730344 4.000296 5.092600 2.385052 1.770868 0.000000 6.532072 2.448811 4.217706 3.995276 5.426908 2.732899 3.541814 2.156662 4.101814 3.488184 4.900661 4.046716 1.091885 5.879258 5.122319 2.144985 5.079326 2.754008 3.313720 4.099630 4.500814 4.781004 4.799382 3.166258 2.507439 4.480456 5.083430 4.288194 3.714052 5.488535 4.708562 4.696395 0.000000 6.530918 3.114642 4.949550 5.147942 6.435272 2.847227 2.852159 2.177133 3.045049 2.761383 4.296147 4.329206 1.093641 4.882396 4.878634 2.140946 5.782310 3.407044 2.633139 4.568134 4.021329 6.036699 4.797408 2.266317 3.050971 3.061647 4.133769 3.809085 2.742566 5.005717 4.686761 5.003275 1.749831 0.000000 8.755653 0.971210 2.555935 2.047030 4.180671 1.953070 3.266466 2.785564 4.378701 4.147175 4.000763 2.479692 3.214474 5.420519 3.761065 4.472944 3.801301 4.749031 5.718258 6.116921 6.906157 3.265430 7.060545 3.426147 2.862283 5.175468 4.977373 4.561266 4.950374 4.288790 3.528312 2.665224 2.653110 3.732774 0.000000 12.044515 5.279270 6.552174 7.275669 8.711277 4.813217 3.484769 5.898879 4.036827 5.539234 2.178580 5.102425 6.510268 1.093599 2.709124 7.815990 7.545137 8.926342 8.149008 10.148258 9.468141 8.503724 10.377695 3.737359 6.799955 4.066300 3.804793 5.970924 6.221464 2.496830 4.985227 4.733560 6.836359 5.931378 6.102456 0.000000 10.671042 5.118069 6.135022 7.026411 8.186059 4.277075 2.804412 4.963504 2.694050 4.242162 2.200968 4.703584 5.605579 1.092323 3.480575 6.716593 6.961467 7.879684 6.872850 8.986693 8.112570 8.154360 9.076173 3.155082 5.903634 2.525421 2.414300 4.679038 4.772945 2.484900 4.356932 4.717345 6.182250 5.010169 5.963901 1.765071 0.000000 10.781631 4.628008 6.467611 7.059485 8.612369 4.252599 2.774032 5.084834 3.361964 4.812408 2.177323 5.061168 5.330246 1.095637 2.791570 6.584056 7.523023 7.807710 6.792334 8.993961 8.122455 8.302367 9.118707 2.543489 6.114999 3.095010 3.599161 5.523868 5.303141 3.057955 5.090905 4.955027 5.682384 4.564176 5.569199 1.766577 1.768934 0.000000 11.053971 2.481309 4.092148 4.248600 6.193821 2.877692 2.843447 4.417082 4.299717 5.053862 2.198636 3.039783 5.043142 3.481090 1.089228 6.532464 5.383761 7.238169 7.444995 8.617547 8.796669 5.556664 9.303028 3.133641 4.980387 4.958142 4.522265 5.472789 5.999185 2.532360 3.731687 2.317526 4.824558 4.954495 2.986868 3.724753 4.354253 3.800471 0.000000 12.257935 4.082723 5.556852 5.922584 7.702643 4.186709 3.511933 5.654790 4.759907 5.912225 2.172772 4.308434 6.267974 2.722054 1.094210 7.749355 6.749426 8.631225 8.453707 9.982847 9.831430 7.207577 10.511071 3.756155 6.369335 5.190238 4.755977 6.330104 6.801617 2.489333 4.660400 3.555214 6.214703 5.935605 4.717451 2.461977 3.718028 3.115535 1.774958 0.000000 11.064255 3.113144 5.434062 5.599961 7.572476 3.512251 2.828314 4.816130 4.271172 5.294885 2.173472 4.246369 5.037240 2.771446 1.094514 6.526814 6.721064 7.479957 7.198441 8.828594 8.592141 6.924314 9.308803 2.575166 5.641594 4.553015 4.671029 5.971189 6.041083 3.067432 4.793822 3.803342 4.888889 4.584311 3.918887 3.061472 3.799547 2.605245 1.751998 1.770217 0.000000 8.782586 4.937247 2.135993 3.234050 2.148883 4.020483 5.038762 3.944610 4.840910 4.049656 5.657009 2.881097 5.382774 6.890064 6.371891 5.863139 1.079242 5.750111 6.823357 6.608838 7.571787 3.152490 7.462977 5.944194 3.308811 5.870688 4.657120 3.242259 4.834497 5.061917 2.541951 3.584337 5.686706 6.119580 4.622712 7.508029 6.784336 7.588213 5.849895 7.017572 7.121104 0.000000 4.870348 4.416323 4.508176 4.224031 4.588651 4.335443 5.474311 3.159320 5.524319 4.244674 6.901373 5.043923 2.722683 7.973989 7.315123 2.153211 4.704583 1.085358 3.384859 2.139824 3.868512 4.254318 3.379695 5.441250 2.555611 6.018859 6.326654 4.572692 4.213388 7.190344 5.512336 5.934559 2.624575 3.754419 4.126111 8.954971 8.063015 7.960820 6.854791 8.380763 7.302761 5.279733 0.000000 4.871490 5.429742 6.628057 6.970023 7.705347 4.888627 4.749005 3.702009 4.176715 3.549838 6.186964 6.156199 2.745208 6.428437 7.053215 2.150533 7.100436 3.385236 1.085118 3.867838 2.142159 7.583991 3.378787 4.303214 4.285976 3.791848 5.134830 4.423759 2.731885 6.786295 6.213671 7.005279 3.600935 2.397032 5.931481 7.516455 6.203993 6.074193 7.242075 8.052939 6.779853 7.213872 4.287490 0.000000 2.864237 6.848305 6.648691 6.478644 6.221063 6.609226 7.573738 5.215191 7.269207 5.835081 9.071918 7.252340 4.682437 9.986405 9.650254 3.417770 6.487927 2.157335 3.865351 1.082600 3.398546 6.198406 2.149578 7.511053 4.622742 7.580488 8.025271 6.020566 5.410554 9.333292 7.512760 8.227741 4.826914 5.523206 6.597039 11.022938 9.903034 9.933383 9.267341 10.720446 9.611710 6.844257 2.473536 4.950388 0.000000 2.864459 7.543548 8.235781 8.528418 8.776601 6.985932 7.068540 5.561808 6.306816 5.351273 8.542300 8.066620 4.697232 8.802751 9.454937 3.417456 8.389565 3.865782 2.159976 3.399391 1.082603 8.823654 2.147587 6.734075 5.763540 5.968401 7.123859 5.908189 4.357139 9.026696 8.042100 9.031726 5.422125 4.708798 7.855379 9.891077 8.459325 8.498014 9.559097 10.467790 9.222600 8.426773 4.951077 2.475646 4.288326 0.000000 9.026505 4.704669 3.138340 2.104320 2.151055 4.976360 6.517435 5.037346 7.099357 6.236087 7.252753 4.480635 5.673292 8.753429 7.163922 6.145263 3.137846 5.502062 7.509747 6.412279 8.216980 1.079169 7.724871 6.944931 4.192196 8.054551 7.446549 6.068220 6.914687 7.097485 5.195294 4.809292 5.193566 6.636302 3.778360 9.378704 9.096225 9.117763 6.222331 7.929910 7.561807 4.165898 4.469008 8.167071 6.281469 9.284860 0.000000 C18H24ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.4061,-.2373,.3313;-2.1071,.1375,-1.675;-2.0665,2.2574,.4423;-1.893,2.8396,-.7732;-1.0435,4.1563,.8535;-1.8783,-.1203,-.2964;-2.3436,-1.5593,.0504;-.3693,-.1324,.0935;-1.5513,-1.908,1.3373;-.3525,-.9225,1.4163;-3.859,-1.8301,.158;-2.647,.9232,.5529;.509,-.778,-1.0017;-4.1113,-3.3014,.529;-4.6246,-1.4886,-1.1289;1.9823,-.6612,-.6926;-1.5458,3.0577,1.394;2.6331,.5739,-.8011;2.7301,-1.761,-.2638;3.9824,.7136,-.4916;4.0837,-1.6434,.0509;-1.2774,3.9743,-.471;4.6975,-.4021,-.0643;-1.9717,-2.1738,-.7778;-.0045,.8879,.2382;-1.2226,-2.9483,1.3234;-2.1931,-1.8032,2.2179;-.4692,-.2442,2.2662;.6008,-1.4314,1.5669;-4.2606,-1.2156,.9763;-2.6372,.6594,1.6108;-3.6821,.9694,.215;.2873,-.293,-1.9544;.2419,-1.8317,-1.1225;-1.975,1.0874,-1.8283;-5.1841,-3.5036,.5934;-3.664,-3.573,1.4878;-3.6946,-3.965,-.2369;-4.5055,-.447,-1.4241;-5.691,-1.6991,-1.0028;-4.2571,-2.0957,-1.9622;-1.5575,2.8049,2.4432;2.0771,1.4436,-1.1363;2.2528,-2.7316,-.1778;4.4768,1.6726,-.5817;4.6539,-2.5028,.3798;-.9957,4.6873,-1.2305; 0.3418260 0.1298390 0.1033587 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= 671 671 671 671 671 MxSgAt= 47 MxSgA2= 47. 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= 658 RedAO= T EigKep= 1.37D-06 NBF= 658 NBsUse= 656 1.00D-06 EigRej= 9.76D-07 NBFU= 656 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= 671 671 671 671 671 MxSgAt= 47 MxSgA2= 47. 1 -1.05405440e+00 -6.76847444e-01 6.38716215e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.013058368 -0.005582050 0.003751707 -0.001770667 0.002793687 -0.012041399 -0.008395829 -0.007226818 0.004746626 -0.003046029 0.000183748 -0.019174953 0.010907190 0.008049255 0.007645274 -0.001334077 -0.002769531 0.008209290 -0.002325435 -0.002387903 -0.002288129 0.004629921 0.002204042 0.001001373 -0.001979256 -0.004498054 0.003491382 0.003273942 -0.002256941 0.005352914 -0.001191728 0.001087846 0.001072836 -0.007412436 -0.000235957 0.003187257 -0.000390716 -0.001226159 -0.004225493 -0.003020605 -0.003455642 0.001754063 -0.001564210 0.003387750 -0.002561920 -0.001285404 0.000280400 -0.001696647 -0.003445254 -0.005154824 0.015934868 -0.000259759 0.005364309 -0.001155281 -0.004266993 -0.003360003 -0.000117031 0.003756043 0.004013964 -0.000124832 -0.000769439 -0.005385569 0.000977536 0.010940167 0.010629674 -0.008705192 -0.005559427 0.002448666 -0.001460228 0.000677495 0.001569044 -0.000330870 -0.001147757 0.000814387 -0.000704075 -0.000170710 -0.000956021 -0.000364624 -0.000418655 0.000660391 0.000535776 -0.000024441 0.000752826 0.000719562 0.000441708 -0.000606519 -0.000372723 0.000272245 0.000330907 0.000571728 0.000521268 -0.000632788 -0.000209199 0.000796543 -0.000386342 -0.001488572 -0.000832482 0.001408680 -0.000282418 -0.000566098 -0.000009201 0.000439241 0.001295741 0.002034693 0.000007345 -0.001900634 0.000658751 -0.000033700 0.000468769 -0.000658958 0.001161182 0.000603155 -0.000996571 -0.001827577 0.002219029 0.000675765 -0.000083933 -0.002165752 0.000126098 0.000342674 0.000848846 -0.001177758 -0.001413501 -0.000331608 -0.000428041 -0.000057882 -0.000267816 0.001073758 -0.000268874 -0.000980290 -0.000641136 0.000015478 0.001224902 0.000234640 0.000182965 0.000624946 -0.001037813 0.000337150 0.000263230 0.000287318 -0.000449172 0.019174953 0.004029640 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1400.37573328281 -1400.37573495556 -0.000001672749 -1400.37573492474 0.000000030813 -1400.37573498398 -0.000000059241 -1400.37573498543 -0.000000001443 -1400.37573498585 -0.000000000428 -1400.37573498588 -0.000000000023 -1400.37573498588 0.000000000001 -1400.37573499 8 1.395134577219e+03 -7.474879468551e+03 2.581232047027e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773927493 LenY= 3773463051 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) PT111892.800S 2021-07-20T12:36:05.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 0.380586 -0.139326 0.080875 -0.094236 -0.128791 0.277950 0.513398 -0.144405 -0.510829 -0.782469 0.030546 -0.936418 -0.446277 -0.518629 -0.514132 0.601477 -0.000627 -0.257867 -0.364987 -0.582957 -0.739094 -0.083962 0.642714 0.177916 0.184895 0.165323 0.154699 0.157831 0.171225 0.127318 0.156062 0.203579 0.181442 0.130637 0.251974 0.140159 0.138754 0.141521 0.147593 0.128322 0.147957 0.136662 0.129315 0.118115 0.144428 0.143176 0.138556 -0.00000 -101.55308 -19.12259 -14.42308 -14.36117 -14.32392 -10.25896 -10.24635 -10.24027 -10.23987 -10.23910 -10.19328 -10.19132 -10.19126 -10.18814 -10.18742 -10.18568 -10.18466 -10.18351 -10.17838 -10.17825 -10.17729 -10.16453 -10.15576 -9.46763 -7.23218 -7.22248 -7.22219 -1.10534 -1.03443 -0.92796 -0.89694 -0.87246 -0.85733 -0.84496 -0.80735 -0.77400 -0.76554 -0.75934 -0.72286 -0.70478 -0.68773 -0.66640 -0.65243 -0.63026 -0.62250 -0.60302 -0.59794 -0.58088 -0.56875 -0.54719 -0.52617 -0.51637 -0.50587 -0.49367 -0.48877 -0.47412 -0.47103 -0.46817 -0.45953 -0.44340 -0.44032 -0.43613 -0.43240 -0.42973 -0.41818 -0.41353 -0.40667 -0.39953 -0.39395 -0.38921 -0.37705 -0.37124 -0.36674 -0.36277 -0.35462 -0.34868 -0.34430 -0.33867 -0.33215 -0.32484 -0.32469 -0.31952 -0.31662 -0.30841 -0.30126 -0.28981 -0.27884 -0.27112 -0.24617 -0.03035 -0.02718 -0.02540 -0.01453 -0.00342 0.00085 0.00729 0.01130 0.01411 0.01749 0.02131 0.02680 0.02755 0.03260 0.03668 0.04096 0.04309 0.04914 0.05261 0.05414 0.05569 0.05872 0.06260 0.06591 0.06851 0.07116 0.07651 0.08102 0.08222 0.08598 0.08740 0.09185 0.09402 0.09981 0.10342 0.10844 0.10963 0.11311 0.11764 0.11930 0.12016 0.12234 0.12719 0.12912 0.13293 0.13457 0.13942 0.14081 0.14258 0.14591 0.14890 0.15017 0.15502 0.15999 0.16015 0.16236 0.16582 0.16789 0.17090 0.17263 0.17488 0.17756 0.18053 0.18252 0.18568 0.18795 0.18866 0.19152 0.19389 0.19670 0.19803 0.20100 0.20342 0.20635 0.20851 0.21023 0.21308 0.21476 0.21901 0.22116 0.22469 0.22694 0.22959 0.23257 0.23492 0.23843 0.23922 0.24320 0.24423 0.24644 0.24837 0.25122 0.25329 0.25746 0.25863 0.25968 0.26578 0.27029 0.27261 0.27525 0.27875 0.27962 0.28224 0.28634 0.28749 0.28833 0.29162 0.29405 0.29711 0.30068 0.30171 0.30805 0.31266 0.31646 0.31734 0.32184 0.32540 0.33119 0.33346 0.33762 0.33933 0.34268 0.34855 0.35036 0.35269 0.35714 0.36566 0.36977 0.37634 0.38014 0.38913 0.39116 0.39459 0.40930 0.41561 0.42074 0.42392 0.42965 0.43429 0.43968 0.44339 0.44856 0.45560 0.46107 0.46846 0.46998 0.47800 0.48901 0.49515 0.50446 0.51047 0.51298 0.52600 0.52768 0.53636 0.54023 0.54577 0.55020 0.55420 0.56460 0.56718 0.57172 0.57756 0.58005 0.58316 0.59413 0.59618 0.59961 0.60971 0.61411 0.61792 0.62326 0.62512 0.63113 0.63895 0.64550 0.65203 0.65634 0.66173 0.66539 0.66815 0.67021 0.67655 0.67823 0.68335 0.68979 0.69109 0.69697 0.70509 0.70593 0.70854 0.71265 0.71503 0.72043 0.72407 0.72715 0.73076 0.73499 0.74002 0.74338 0.75420 0.75611 0.76226 0.76710 0.76934 0.77629 0.77796 0.78357 0.78744 0.79215 0.79784 0.80860 0.81264 0.81976 0.83168 0.83579 0.83654 0.84617 0.85290 0.85974 0.86337 0.86745 0.86970 0.87286 0.87667 0.88337 0.89231 0.89658 0.90506 0.90908 0.91775 0.92886 0.93754 0.94564 0.95478 0.96046 0.96346 0.96915 0.98357 0.99121 1.00049 1.00680 1.01798 1.02085 1.03440 1.04176 1.05604 1.05957 1.07317 1.07538 1.08066 1.08712 1.09808 1.10903 1.11324 1.12954 1.13436 1.15055 1.15901 1.16963 1.18693 1.19085 1.19954 1.22255 1.22971 1.24354 1.25157 1.25506 1.26288 1.27918 1.28456 1.29486 1.30336 1.31546 1.32283 1.33367 1.35076 1.35200 1.35919 1.37678 1.38107 1.40485 1.41484 1.42530 1.44025 1.44496 1.45964 1.46865 1.47457 1.48498 1.49548 1.49974 1.50623 1.51041 1.52455 1.52942 1.54239 1.54928 1.55248 1.55507 1.56211 1.56885 1.57170 1.58270 1.59035 1.59331 1.60992 1.60997 1.61835 1.62881 1.63627 1.63993 1.64131 1.64621 1.65227 1.66165 1.66714 1.67115 1.68053 1.68990 1.69358 1.69832 1.70321 1.71422 1.72060 1.73197 1.73745 1.74173 1.75403 1.75818 1.76022 1.77068 1.77443 1.77972 1.79016 1.80571 1.81113 1.81522 1.82416 1.83219 1.84063 1.84463 1.85218 1.86128 1.87112 1.87311 1.88037 1.89543 1.89957 1.91001 1.91802 1.92641 1.92943 1.94237 1.94363 1.94564 1.96363 1.97191 1.97271 1.97765 1.99016 1.99842 2.02097 2.02849 2.04048 2.05556 2.05914 2.07369 2.08202 2.09815 2.10088 2.11404 2.12523 2.13883 2.14485 2.15394 2.16504 2.17146 2.18117 2.20536 2.21537 2.22552 2.23677 2.24142 2.25449 2.26381 2.26925 2.27046 2.28705 2.31230 2.31548 2.32272 2.33184 2.34056 2.35294 2.36559 2.36989 2.39176 2.39362 2.40038 2.40363 2.41371 2.42201 2.43816 2.43861 2.45002 2.46085 2.46435 2.47973 2.49761 2.50685 2.51720 2.52465 2.53504 2.53951 2.55065 2.55654 2.56526 2.57082 2.58298 2.59026 2.60146 2.60701 2.61525 2.62358 2.62730 2.63470 2.64036 2.65958 2.66776 2.67366 2.68016 2.68413 2.69475 2.69896 2.70557 2.71536 2.72755 2.74059 2.75154 2.75604 2.76185 2.76677 2.77276 2.77918 2.79455 2.80749 2.81250 2.82721 2.83185 2.83451 2.85124 2.85412 2.87853 2.89059 2.89310 2.90233 2.91212 2.91730 2.92015 2.92711 2.93579 2.94023 2.95094 2.95274 2.96594 2.96865 2.99591 3.01472 3.04189 3.05607 3.06719 3.09921 3.10474 3.10769 3.11676 3.12233 3.13581 3.16942 3.17628 3.18400 3.19653 3.20713 3.21511 3.27753 3.28999 3.30681 3.32211 3.34174 3.36790 3.40141 3.41809 3.47312 3.49724 3.52699 3.55169 3.55297 3.59192 3.60336 3.64562 3.67410 3.68232 3.70267 3.78042 3.79319 3.80744 3.81409 3.81504 3.83453 3.84106 3.84859 3.88055 3.92107 3.92986 3.93835 3.98152 3.98887 4.01444 4.07371 4.08352 4.12608 4.13989 4.14985 4.15484 4.20866 4.24654 4.29124 4.33899 4.37420 4.39319 4.43545 4.46317 4.65572 4.80176 4.83620 5.08246 5.22912 5.42423 5.48903 5.71006 9.78272 23.55419 23.76939 23.83235 23.84678 23.87054 23.89710 23.92055 23.92717 23.93537 23.95533 23.95724 23.96837 23.97697 23.98868 24.00191 24.06860 24.09334 24.17262 25.83798 26.11559 26.60902 35.46923 35.52451 35.66826 50.00747 215.77407 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 0.392326 -0.142318 0.093967 -0.098875 -0.128499 0.263943 0.501786 -0.133010 -0.498901 -0.814217 0.069025 -0.931895 -0.424507 -0.525575 -0.522064 0.593631 -0.006882 -0.251525 -0.379228 -0.634054 -0.731234 -0.089251 0.646437 0.175345 0.189553 0.164652 0.154266 0.161624 0.170633 0.126440 0.158300 0.206245 0.181277 0.130757 0.250814 0.141053 0.139833 0.142121 0.154207 0.129525 0.145721 0.139975 0.132853 0.120062 0.146860 0.145381 0.143421 -0.00000 -1.14110809e+00 -6.51612374e-01 6.70955267e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.9004 -1.6562 1.7054 3.7502 -161.2517 -151.2107 -148.7168 0.2476 -8.1665 -5.6568 -7.5253 2.5157 5.0096 0.2476 -8.1665 -5.6568 -108.9378 -55.5210 13.8346 24.1940 7.3897 18.8282 -7.0108 14.8387 -36.1325 -9.9487 -10131.5960 -3799.0129 -836.1271 15.4119 -26.6170 -13.3957 -197.1933 -7.3838 9.3599 -2144.7463 -1790.8974 -726.4133 -12.2956 25.0624 -16.2364 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1400.375735 7.72E-9 1.05E-5 -2.9381246,0.5881838,2.3499408,3.9649714,-7.3859009,-1.1830084 C01 [X(C18H24Cl1N3O1)] -1.3569332 -0.1612383 0.5564548 0.000011757 -0.000002664 0.000002757 0.000020968 -0.000004586 0.000002938 0.000018659 0.000031056 0.000019470 0.000013072 -0.000004720 0.000011477 -0.000034320 -0.000014725 -0.000018467 -0.000019216 0.000017423 0.000010659 0.000007631 -0.000005960 -0.000004658 0.000008468 -0.000005230 0.000008034 -0.000018881 0.000005301 0.000013206 0.000011867 -0.000000349 -0.000015413 0.000004583 0.000000386 0.000011648 -0.000014815 -0.000004776 -0.000000480 -0.000007331 0.000001768 -0.000012228 -0.000009167 -0.000006532 0.000000387 -0.000009898 -0.000002545 -0.000007968 0.000006321 0.000005034 0.000005106 0.000032493 0.000007880 -0.000041870 -0.000002709 -0.000009896 0.000002257 0.000001908 0.000009434 -0.000001689 0.000010314 -0.000003848 0.000001864 0.000015041 -0.000004795 0.000004373 -0.000023972 -0.000017157 0.000026449 -0.000040831 0.000016031 -0.000012795 -0.000000709 -0.000002129 0.000003144 -0.000000687 -0.000000069 0.000000366 0.000004286 0.000002009 -0.000005960 0.000009029 -0.000006283 -0.000004372 -0.000003761 0.000003490 -0.000004991 -0.000001570 0.000004352 0.000006467 0.000000809 -0.000001462 -0.000002777 0.000005611 0.000000900 -0.000004243 0.000007883 -0.000005142 -0.000008339 -0.000003423 -0.000000785 0.000001972 -0.000001053 0.000000540 0.000006224 -0.000006878 -0.000005454 0.000001524 0.000007587 -0.000000262 0.000001616 0.000000547 0.000002511 -0.000005562 0.000000943 0.000005173 0.000003831 -0.000004166 -0.000002530 0.000001286 0.000007203 -0.000002875 0.000002940 0.000002792 0.000000992 0.000006046 -0.000004834 -0.000002803 -0.000000279 -0.000001222 -0.000000549 -0.000001029 0.000000970 0.000001319 -0.000000359 -0.000001621 -0.000002547 -0.000000166 0.000002482 0.000004705 0.000000060 -0.000002157 0.000000370 -0.000002455 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.493,-3.0508,.4077;-1.8583,1.2194,-1.6815;-1.0696,2.8541,.7027;-.5727,3.4367,-.4199;.6358,4.0575,1.3844;-1.866,.7329,-.3464;-2.9286,-.3889,-.2053;-.5422,.0206,.0652;-2.4614,-1.1917,1.0368;-.9652,-.8427,1.2694;-4.4168,.0169,-.1623;-2.1732,1.9028,.622;.0528,-.8139,-1.0912;-5.3034,-1.2293,.0024;-4.8632,.8016,-1.4048;1.4059,-1.3864,-.7429;-.3284,3.2338,1.7628;2.5301,-.5545,-.6722;1.5747,-2.7429,-.4531;3.7814,-1.0525,-.3227;2.8199,-3.2631,-.1013;.446,4.1474,.0435;3.9139,-2.4088,-.037;-2.796,-1.0055,-1.102;.2134,.7564,.3526;-2.6112,-2.2623,.8886;-3.0597,-.9188,1.9119;-.8424,-.2828,2.2008;-.3369,-1.7295,1.367;-4.5755,.6475,.7242;-2.3567,1.5427,1.6346;-3.0598,2.4333,.275;.1327,-.1759,-1.9737;-.631,-1.6248,-1.3578;-1.3201,2.0275,-1.7029;-6.3606,-.95,.0198;-5.089,-1.7756,.9236;-5.1561,-1.9162,-.8384;-4.2867,1.7135,-1.5546;-5.9227,1.0637,-1.3273;-4.7308,.1942,-2.3056;-.5258,2.8937,2.7679;2.4282,.5024,-.897;.7218,-3.4115,-.5073;4.6448,-.4012,-.2738;2.9395,-4.3163,.1188;1.0625,4.7478,-.6077; Gaussian 16 GINC-BELVIS24 PAULAPLA Optimization ipconazole_RSS CONF12 gas EM64L-G16RevC.01 135 C1[X(C18H24ClN3O)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.493,-3.0508,.4077;-1.8583,1.2194,-1.6815;-1.0696,2.8541,.7027;-.5727,3.4367,-.4199;.6358,4.0575,1.3844;-1.866,.7329,-.3464;-2.9286,-.3889,-.2053;-.5422,.0206,.0652;-2.4614,-1.1917,1.0368;-.9652,-.8427,1.2694;-4.4168,.0169,-.1623;-2.1732,1.9028,.622;.0528,-.8139,-1.0912;-5.3034,-1.2293,.0024;-4.8632,.8016,-1.4048;1.4059,-1.3864,-.7429;-.3284,3.2338,1.7628;2.5301,-.5545,-.6722;1.5747,-2.7429,-.4531;3.7814,-1.0525,-.3227;2.8199,-3.2631,-.1013;.446,4.1474,.0435;3.9139,-2.4088,-.037;-2.796,-1.0055,-1.102;.2134,.7564,.3526;-2.6112,-2.2623,.8886;-3.0597,-.9188,1.9119;-.8424,-.2828,2.2008;-.3369,-1.7295,1.367;-4.5755,.6475,.7242;-2.3567,1.5427,1.6346;-3.0598,2.4333,.275;.1327,-.1759,-1.9737;-.631,-1.6248,-1.3578;-1.32,2.0275,-1.7029;-6.3606,-.95,.0198;-5.089,-1.7756,.9236;-5.1561,-1.9162,-.8384;-4.2867,1.7135,-1.5546;-5.9227,1.0637,-1.3273;-4.7308,.1942,-2.3056;-.5258,2.8937,2.7679;2.4282,.5024,-.897;.7218,-3.4115,-.5073;4.6448,-.4012,-.2738;2.9395,-4.3163,.1188;1.0625,4.7478,-.6077; Optimization ipconazole_RSS CONF12 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/ipconazole_RSS/gas/CONF12/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 2 3 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 13 14 14 14 15 15 15 16 16 17 18 18 19 19 20 20 21 21 22 23 6 35 4 12 17 22 17 22 7 8 12 9 11 24 10 13 25 10 26 27 28 29 14 15 30 31 32 16 33 34 36 37 38 39 40 41 18 19 42 20 43 21 44 23 45 23 46 47 1.7616 1.4211 0.9712 1.3589 1.4592 1.3482 1.3258 1.3234 1.3572 1.5516 1.5586 1.5495 1.551 1.5431 1.0963 1.5408 1.5452 1.0932 1.5539 1.0911 1.0946 1.0937 1.0911 1.5382 1.5358 1.0993 1.0903 1.0898 1.5099 1.0919 1.0936 1.0936 1.0923 1.0956 1.0892 1.0942 1.0945 1.4003 1.3973 1.0792 1.3914 1.0854 1.3946 1.0851 1.3924 1.0826 1.3895 1.0826 1.0792 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 6 4 4 12 3 17 2 2 2 7 7 8 6 6 6 9 9 11 6 6 6 10 10 13 7 7 7 10 10 26 8 8 8 9 9 28 7 7 7 14 14 15 3 3 3 6 6 31 8 8 8 16 16 33 11 11 11 36 36 37 11 11 11 39 39 40 13 13 18 3 3 5 16 16 20 16 16 21 18 18 23 19 19 23 4 4 5 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 35 12 17 17 22 22 7 8 12 8 12 12 9 11 24 11 24 24 10 13 25 13 25 25 10 26 27 26 27 27 9 28 29 28 29 29 14 15 30 15 30 30 6 31 32 31 32 32 16 33 34 33 34 34 36 37 38 37 38 38 39 40 41 40 41 41 18 19 19 5 42 42 20 43 43 21 44 44 23 45 45 23 46 46 5 47 47 20 21 21 107.9739 120.6909 109.1357 130.0074 102.8294 102.8163 109.6752 113.5809 109.2522 103.1344 110.6864 110.3909 103.9324 118.2203 104.4375 113.8467 109.1189 106.7025 103.2566 112.0999 110.4198 112.83 111.1855 107.1033 107.0743 110.9593 110.2725 111.8921 110.5275 106.1591 105.8544 110.3606 111.5427 110.519 112.6595 105.9772 110.2281 113.0863 108.2149 109.4494 107.1665 108.5013 112.1357 106.9301 108.3915 111.3751 109.2559 108.6392 112.1585 108.5096 110.0029 110.0198 109.5963 106.3835 110.6053 112.4791 110.3849 107.6994 107.5955 107.8964 112.6572 110.2786 110.316 108.764 106.6988 107.9557 120.3904 121.6102 117.9838 110.5513 122.8885 126.56 121.4712 119.5128 119.0158 121.4863 119.5315 118.9812 119.0643 120.8806 120.055 119.0357 120.8531 120.1111 114.6646 121.752 123.5829 119.4768 119.5648 120.9582 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 35 35 35 12 17 4 4 4 17 17 17 4 4 12 12 3 3 22 22 17 17 2 2 2 8 8 8 12 12 12 2 2 2 7 7 7 12 12 12 2 2 2 7 7 7 8 8 8 6 6 6 11 11 11 24 24 24 6 6 6 9 9 9 24 24 24 6 6 6 13 13 13 25 25 25 6 6 6 10 10 10 25 25 25 7 7 7 26 26 26 27 27 27 7 7 7 15 15 15 30 30 30 7 7 7 14 14 14 30 30 30 8 8 33 33 34 34 13 13 19 19 13 13 18 18 16 16 43 43 16 16 44 44 18 18 45 45 19 19 46 46 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 6 6 6 4 4 12 12 12 12 12 12 17 17 17 17 22 22 17 17 22 22 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 7 8 12 22 22 6 31 32 6 31 32 5 42 5 42 5 47 3 42 4 47 9 11 24 9 11 24 9 11 24 10 13 25 10 13 25 10 13 25 3 31 32 3 31 32 3 31 32 10 26 27 10 26 27 10 26 27 14 15 30 14 15 30 14 15 30 9 28 29 9 28 29 9 28 29 16 33 34 16 33 34 16 33 34 8 28 29 8 28 29 8 28 29 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 18 19 18 19 18 19 20 43 20 43 21 44 21 44 23 45 23 45 23 46 23 46 1 21 1 21 1 20 1 20 169.0149 -76.1893 47.5309 -176.154 -0.3883 54.9525 177.3048 -65.741 -119.8223 2.5299 119.4842 0.5592 -179.578 175.8042 -4.3329 0.1053 -179.64 -0.4597 179.6837 0.2169 179.957 157.9336 -74.7751 43.5823 36.6219 163.9132 -77.7294 -81.448 45.8433 164.2007 -159.5471 -37.8187 81.5134 -40.9215 80.8069 -159.8611 77.3551 -160.9165 -41.5845 -69.9649 170.2458 50.2272 169.1653 49.3761 -70.6426 55.6189 -64.1704 175.811 -18.683 -141.05 101.6152 -148.6484 88.9845 -28.3503 92.2866 -30.0804 -147.4152 -179.1062 58.0179 -62.2084 -56.696 -179.5719 60.2018 63.7356 -59.1403 -179.3666 29.2001 -90.4075 152.0664 -92.0353 148.3571 30.831 147.6077 28.0001 -89.526 174.0085 52.2629 -63.7401 -69.9212 168.3332 52.3302 52.7479 -68.9977 174.9993 -6.6338 112.8697 -128.7885 115.1492 -125.3474 -7.0055 -126.769 -7.2655 111.0763 -179.2229 60.3073 -60.2598 -54.2421 -174.7119 64.721 63.2293 -57.2406 -177.8076 -58.3748 179.9005 60.7406 178.3182 56.5935 -62.5664 61.6879 -60.0369 -179.1968 -72.5006 106.0357 48.3773 -133.0864 165.017 -16.4467 178.4685 -1.6981 -0.1199 179.7135 -178.4818 1.879 0.0884 -179.5508 -0.0282 179.8226 -179.8624 -0.0116 0.0905 -179.8464 179.7316 -0.2053 -179.9646 0.2141 0.1833 -179.638 179.9344 -0.2445 -0.1282 179.6929 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00098 0.00228 0.00284 0.00295 0.00304 0.00333 0.00562 0.00721 0.00819 0.00993 0.01582 0.01721 0.01726 0.01751 0.01856 0.02036 0.02061 0.02242 0.02314 0.02537 0.02602 0.02819 0.02890 0.03688 0.03713 0.03843 0.03878 0.03936 0.04080 0.04263 0.04329 0.04349 0.04394 0.04446 0.04561 0.04590 0.04614 0.04727 0.04805 0.04872 0.05076 0.05122 0.05512 0.05797 0.06013 0.06377 0.06566 0.06807 0.07235 0.07267 0.07721 0.07970 0.08268 0.09707 0.10136 0.10870 0.11289 0.11559 0.11617 0.11905 0.11928 0.12185 0.12412 0.12623 0.12771 0.13346 0.14300 0.14525 0.15213 0.15766 0.15857 0.16751 0.17708 0.18092 0.18425 0.18847 0.19222 0.19426 0.19693 0.20256 0.20269 0.20656 0.21934 0.22152 0.23146 0.23954 0.24197 0.25260 0.25626 0.26107 0.26437 0.26779 0.28621 0.28755 0.29348 0.29426 0.29871 0.31601 0.32014 0.32240 0.32423 0.32744 0.32792 0.32962 0.33013 0.33116 0.33241 0.33285 0.33640 0.33806 0.33938 0.34044 0.34100 0.34182 0.34640 0.35183 0.35422 0.35487 0.35814 0.35937 0.36118 0.36843 0.37068 0.37176 0.40396 0.40986 0.41730 0.41883 0.46224 0.46360 0.48291 0.49078 0.50398 0.51508 0.59737 Angle between quadratic step and forces= 80.77 degrees. 1 2 0.00078157 0.00000048 0.00000034 0.00000004 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 3.32895 2.68544 1.83532 2.56791 2.75754 2.54767 2.50538 2.50087 2.56479 2.93211 2.94526 2.92814 2.93099 2.91607 2.07168 2.91174 2.92005 2.06582 2.93650 2.06181 2.06852 2.06676 2.06193 2.90687 2.90229 2.07745 2.06031 2.05950 2.85337 2.06336 2.06668 2.06660 2.06419 2.07045 2.05834 2.06776 2.06833 2.64623 2.64059 2.03947 2.62928 2.05103 2.63541 2.05058 2.63124 2.04582 2.62580 2.04582 2.03933 1.88450 2.10645 1.90478 2.26906 1.79471 1.79448 1.91419 1.98236 1.90681 1.80003 1.93184 1.92669 1.81396 2.06333 1.82278 1.98700 1.90448 1.86231 1.80217 1.95651 1.92719 1.96926 1.94055 1.86931 1.86880 1.93660 1.92462 1.95289 1.92907 1.85283 1.84751 1.92616 1.94679 1.92892 1.96628 1.84965 1.92384 1.97373 1.88871 1.91025 1.87041 1.89370 1.95714 1.86628 1.89179 1.94386 1.90688 1.89611 1.95754 1.89385 1.91991 1.92021 1.91282 1.85674 1.93043 1.96313 1.92658 1.87971 1.87790 1.88315 1.96624 1.92473 1.92538 1.89829 1.86225 1.88418 2.10121 2.12250 2.05921 1.92949 2.14481 2.20889 2.12007 2.08589 2.07722 2.12034 2.08622 2.07661 2.07806 2.10976 2.09535 2.07757 2.10928 2.09634 2.00127 2.12497 2.15693 2.08526 2.08680 2.11112 2.94987 -1.32975 0.82957 -3.07447 -0.00678 0.95910 3.09455 -1.14740 -2.09129 0.04416 2.08539 0.00976 -3.13423 3.06836 -0.07562 0.00184 -3.13531 -0.00802 3.13607 0.00379 3.14084 2.75646 -1.30507 0.76066 0.63917 2.86082 -1.35663 -1.42154 0.80012 2.86584 -2.78462 -0.66006 1.42268 -0.71422 1.41035 -2.79010 1.35010 -2.80852 -0.72579 -1.22112 2.97135 0.87663 2.95249 0.86177 -1.23295 0.97073 -1.11998 3.06848 -0.32608 -2.46179 1.77352 -2.59440 1.55307 -0.49481 1.61071 -0.52500 -2.57288 -3.12599 1.01260 -1.08574 -0.98953 -3.13412 1.05072 1.11240 -1.03219 -3.13054 0.50964 -1.57791 2.65406 -1.60632 2.58932 0.53810 2.57624 0.48869 -1.56252 3.03702 0.91216 -1.11248 -1.22035 2.93797 0.91333 0.92062 -1.20424 3.05431 -0.11578 1.96995 -2.24778 2.00973 -2.18772 -0.12227 -2.21254 -0.12681 1.93865 -3.12803 1.05256 -1.05173 -0.94670 -3.04930 1.12960 1.10356 -0.99904 -3.10333 -1.01883 3.13986 1.06012 3.11224 0.98774 -1.09199 1.07666 -1.04784 -3.12757 -1.26537 1.85067 0.84434 -2.32280 2.88009 -0.28705 3.11486 -0.02964 -0.00209 3.13659 -3.11510 0.03280 0.00154 -3.13375 -0.00049 3.13850 -3.13919 -0.00020 0.00158 -3.13891 3.13691 -0.00358 -3.14098 0.00374 0.00320 -3.13527 3.14045 -0.00427 -0.00224 3.13623 0.00001 -0.00001 -0.00001 -0.00002 0.00000 -0.00003 -0.00003 -0.00004 -0.00003 -0.00000 -0.00001 -0.00002 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -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 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -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 0.00001 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 0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00009 -0.00000 -0.00002 -0.00003 0.00000 -0.00005 -0.00004 -0.00007 -0.00006 0.00001 -0.00000 -0.00004 0.00009 -0.00002 -0.00002 -0.00015 -0.00001 0.00000 0.00002 0.00001 -0.00005 0.00000 -0.00001 -0.00000 0.00002 -0.00001 -0.00002 -0.00003 -0.00000 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00000 -0.00002 -0.00002 -0.00002 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00004 -0.00001 -0.00004 -0.00001 0.00000 0.00005 -0.00011 0.00000 0.00007 -0.00002 0.00000 -0.00002 -0.00011 0.00004 -0.00002 0.00008 0.00004 0.00011 -0.00005 -0.00002 0.00003 -0.00004 -0.00004 -0.00011 -0.00005 0.00005 -0.00003 0.00007 0.00007 -0.00002 -0.00015 0.00021 -0.00010 0.00001 0.00005 -0.00010 -0.00010 0.00018 -0.00009 0.00010 0.00001 0.00001 -0.00001 0.00003 -0.00009 0.00005 0.00003 -0.00005 0.00004 -0.00005 0.00003 -0.00003 0.00007 -0.00005 0.00000 -0.00004 0.00008 -0.00003 0.00004 -0.00001 0.00002 -0.00006 0.00003 0.00002 0.00001 0.00005 -0.00002 -0.00003 -0.00004 -0.00003 0.00006 0.00003 -0.00004 0.00001 0.00000 -0.00005 0.00005 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00004 0.00004 0.00000 -0.00005 0.00004 0.00001 0.00001 -0.00001 0.00000 -0.00004 -0.00004 0.00008 -0.00054 -0.00064 -0.00064 0.00028 -0.00015 0.00078 0.00082 0.00089 0.00132 0.00135 0.00142 0.00017 0.00004 -0.00032 -0.00045 0.00008 0.00008 -0.00011 0.00002 0.00002 0.00002 -0.00065 -0.00056 -0.00065 -0.00051 -0.00041 -0.00050 -0.00058 -0.00048 -0.00057 -0.00029 -0.00043 -0.00034 -0.00039 -0.00052 -0.00044 -0.00029 -0.00043 -0.00034 0.00008 0.00004 -0.00004 0.00003 -0.00000 -0.00009 -0.00001 -0.00004 -0.00013 0.00118 0.00141 0.00131 0.00114 0.00137 0.00127 0.00120 0.00142 0.00132 -0.00036 -0.00024 -0.00028 -0.00022 -0.00010 -0.00015 -0.00028 -0.00015 -0.00020 0.00112 0.00134 0.00128 0.00127 0.00149 0.00143 0.00116 0.00137 0.00131 -0.00007 -0.00013 -0.00016 -0.00026 -0.00033 -0.00036 -0.00014 -0.00021 -0.00024 -0.00144 -0.00167 -0.00165 -0.00170 -0.00193 -0.00191 -0.00169 -0.00192 -0.00191 -0.00043 -0.00047 -0.00045 -0.00051 -0.00055 -0.00052 -0.00050 -0.00053 -0.00051 -0.00029 -0.00027 -0.00031 -0.00022 -0.00020 -0.00024 -0.00025 -0.00022 -0.00026 0.00007 0.00005 0.00010 0.00008 0.00018 0.00016 -0.00001 -0.00002 0.00000 -0.00000 0.00002 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 0.00001 0.00009 -0.00000 -0.00002 -0.00003 0.00000 -0.00005 -0.00004 -0.00007 -0.00006 0.00001 -0.00000 -0.00004 0.00009 -0.00002 -0.00002 -0.00015 -0.00001 0.00000 0.00002 0.00001 -0.00005 0.00000 -0.00001 -0.00000 0.00002 -0.00001 -0.00002 -0.00003 -0.00000 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00000 -0.00002 -0.00002 -0.00002 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00004 -0.00001 -0.00004 -0.00001 0.00000 0.00005 -0.00011 0.00000 0.00007 -0.00002 0.00000 -0.00002 -0.00011 0.00004 -0.00002 0.00008 0.00004 0.00011 -0.00005 -0.00002 0.00003 -0.00004 -0.00004 -0.00011 -0.00005 0.00005 -0.00003 0.00007 0.00007 -0.00002 -0.00015 0.00021 -0.00010 0.00001 0.00005 -0.00010 -0.00010 0.00018 -0.00009 0.00010 0.00001 0.00001 -0.00001 0.00003 -0.00009 0.00005 0.00003 -0.00005 0.00004 -0.00005 0.00003 -0.00003 0.00007 -0.00005 0.00000 -0.00004 0.00008 -0.00003 0.00004 -0.00001 0.00002 -0.00006 0.00003 0.00002 0.00001 0.00005 -0.00002 -0.00003 -0.00004 -0.00003 0.00006 0.00003 -0.00004 0.00001 0.00000 -0.00005 0.00005 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00004 0.00004 0.00000 -0.00005 0.00004 0.00001 0.00001 -0.00001 0.00000 -0.00004 -0.00004 0.00008 -0.00054 -0.00064 -0.00064 0.00028 -0.00015 0.00078 0.00082 0.00089 0.00132 0.00135 0.00142 0.00017 0.00004 -0.00032 -0.00045 0.00008 0.00008 -0.00011 0.00002 0.00002 0.00002 -0.00066 -0.00056 -0.00065 -0.00051 -0.00041 -0.00050 -0.00058 -0.00048 -0.00057 -0.00029 -0.00043 -0.00034 -0.00039 -0.00052 -0.00044 -0.00029 -0.00043 -0.00034 0.00008 0.00004 -0.00004 0.00003 -0.00000 -0.00009 -0.00001 -0.00004 -0.00013 0.00118 0.00141 0.00131 0.00114 0.00137 0.00127 0.00120 0.00142 0.00132 -0.00036 -0.00024 -0.00028 -0.00022 -0.00010 -0.00015 -0.00028 -0.00015 -0.00020 0.00112 0.00134 0.00128 0.00127 0.00149 0.00143 0.00115 0.00137 0.00131 -0.00006 -0.00013 -0.00016 -0.00026 -0.00033 -0.00036 -0.00014 -0.00021 -0.00024 -0.00144 -0.00167 -0.00165 -0.00170 -0.00193 -0.00191 -0.00169 -0.00192 -0.00191 -0.00043 -0.00047 -0.00045 -0.00051 -0.00055 -0.00052 -0.00050 -0.00053 -0.00051 -0.00029 -0.00027 -0.00031 -0.00022 -0.00020 -0.00024 -0.00025 -0.00022 -0.00026 0.00007 0.00005 0.00010 0.00008 0.00018 0.00016 -0.00001 -0.00002 0.00000 -0.00000 0.00002 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 0.00001 3.32904 2.68543 1.83530 2.56789 2.75754 2.54762 2.50534 2.50080 2.56474 2.93212 2.94525 2.92810 2.93107 2.91605 2.07166 2.91160 2.92004 2.06583 2.93652 2.06181 2.06847 2.06677 2.06192 2.90686 2.90231 2.07744 2.06029 2.05947 2.85337 2.06335 2.06668 2.06658 2.06417 2.07043 2.05834 2.06773 2.06831 2.64621 2.64058 2.03948 2.62928 2.05103 2.63541 2.05057 2.63120 2.04580 2.62576 2.04581 2.03934 1.88455 2.10635 1.90478 2.26913 1.79469 1.79449 1.91417 1.98225 1.90685 1.80001 1.93192 1.92673 1.81407 2.06329 1.82276 1.98703 1.90445 1.86227 1.80206 1.95646 1.92724 1.96922 1.94062 1.86937 1.86878 1.93645 1.92483 1.95278 1.92908 1.85287 1.84741 1.92605 1.94697 1.92884 1.96638 1.84966 1.92385 1.97372 1.88873 1.91016 1.87046 1.89374 1.95708 1.86632 1.89173 1.94389 1.90685 1.89618 1.95748 1.89385 1.91987 1.92029 1.91279 1.85679 1.93042 1.96315 1.92652 1.87974 1.87792 1.88315 1.96629 1.92471 1.92535 1.89825 1.86222 1.88424 2.10124 2.12246 2.05922 1.92949 2.14476 2.20894 2.12007 2.08588 2.07723 2.12034 2.08620 2.07662 2.07802 2.10980 2.09536 2.07751 2.10933 2.09634 2.00128 2.12496 2.15693 2.08522 2.08676 2.11119 2.94933 -1.33040 0.82893 -3.07419 -0.00693 0.95989 3.09537 -1.14651 -2.08998 0.04550 2.08681 0.00993 -3.13419 3.06805 -0.07607 0.00192 -3.13523 -0.00814 3.13610 0.00380 3.14086 2.75581 -1.30563 0.76001 0.63867 2.86042 -1.35713 -1.42211 0.79964 2.86527 -2.78492 -0.66049 1.42234 -0.71460 1.40983 -2.79054 1.34981 -2.80895 -0.72613 -1.22104 2.97139 0.87659 2.95252 0.86177 -1.23303 0.97073 -1.12003 3.06835 -0.32490 -2.46038 1.77483 -2.59326 1.55444 -0.49354 1.61190 -0.52358 -2.57156 -3.12635 1.01237 -1.08602 -0.98976 -3.13422 1.05057 1.11212 -1.03235 -3.13074 0.51076 -1.57657 2.65534 -1.60505 2.59081 0.53953 2.57739 0.49006 -1.56121 3.03696 0.91203 -1.11264 -1.22061 2.93764 0.91298 0.92048 -1.20445 3.05407 -0.11722 1.96828 -2.24944 2.00803 -2.18965 -0.12418 -2.21423 -0.12873 1.93674 -3.12846 1.05209 -1.05218 -0.94721 -3.04984 1.12907 1.10306 -0.99957 -3.10384 -1.01912 3.13959 1.05981 3.11202 0.98754 -1.09223 1.07641 -1.04806 -3.12784 -1.26530 1.85072 0.84444 -2.32272 2.88027 -0.28689 3.11485 -0.02965 -0.00209 3.13659 -3.11508 0.03281 0.00154 -3.13375 -0.00049 3.13851 -3.13919 -0.00019 0.00157 -3.13892 3.13690 -0.00359 -3.14096 0.00373 0.00320 -3.13529 3.14044 -0.00426 -0.00224 3.13624 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000039 0.000006 0.004089 0.000782 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -6.601715e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2098.1948703579 47 47 47 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=131 Grimme-D3 -0.0577610390 0.000000 8.754518 0.000000 8.833009 2.996423 0.000000 8.919861 2.856696 1.358882 0.000000 8.664485 4.865760 2.195815 2.258669 0.000000 8.308974 1.421072 2.496853 2.998104 4.506446 0.000000 8.853505 2.431395 3.846719 4.497960 5.916340 1.551606 0.000000 6.780434 2.494116 2.951829 3.450515 4.407381 1.558562 2.436315 0.000000 8.192973 3.683364 4.291558 5.206893 6.104784 2.443769 1.551012 2.469226 0.000000 6.879388 3.709207 3.741436 4.617455 5.156405 2.429948 2.497127 1.540828 1.553930 0.000000 10.389377 3.209347 4.472262 5.151534 6.651886 2.655757 1.543116 3.881223 2.592701 3.834345 0.000000 9.129872 2.423325 1.459228 2.449508 3.621429 1.549507 2.550891 2.552053 3.135502 3.068605 3.034023 0.000000 6.070091 2.852274 4.234619 4.348488 5.495402 2.574679 3.139140 1.545225 3.315516 2.570887 4.640066 3.907790 0.000000 10.956439 4.549741 5.923609 6.658015 8.070605 3.973331 2.527619 4.922862 3.024599 4.535947 1.538247 4.471243 5.482408 0.000000 11.197120 3.046342 4.800526 5.130496 6.972783 3.179302 2.568767 4.630473 3.962712 5.004910 1.535824 3.543501 5.184080 2.509631 0.000000 4.560530 4.280946 5.118507 5.223086 5.895256 3.918356 4.480159 2.535283 4.261638 3.157017 6.017460 5.048921 1.509939 6.752353 6.672797 0.000000 8.672933 4.273400 1.348168 2.205720 1.323402 3.614910 4.874274 3.640365 4.966097 4.155316 5.547010 2.544874 4.967342 6.911514 6.042652 5.534595 0.000000 4.021939 4.839870 5.144617 5.061678 5.393405 4.592322 5.481187 3.211544 5.314400 4.008762 6.989013 5.462145 2.525891 7.891408 7.552251 1.400322 5.333994 0.000000 4.023521 5.384674 6.297133 6.542081 7.106526 4.891868 5.087462 3.519452 4.573436 3.609495 6.602940 6.065059 2.538547 7.057352 7.410455 1.397339 6.652206 2.397861 0.000000 2.730559 6.230172 6.312310 6.254612 6.238668 5.922940 6.743776 4.471671 6.390684 5.010865 8.269206 6.714456 3.814475 9.092315 8.907144 2.435390 6.293777 1.391356 2.782773 0.000000 2.729379 6.669033 7.293416 7.516469 7.782529 6.163195 6.427817 4.702528 5.786029 4.697179 7.945531 7.220833 3.825595 8.374630 8.789188 2.435791 7.456197 2.783196 1.394598 2.420749 0.000000 8.798737 4.105971 2.098655 1.325788 1.357230 4.142050 5.659362 4.243575 6.160070 5.328735 6.383600 3.497618 5.104607 7.871877 6.440485 5.671179 2.095313 5.192659 6.999721 6.188522 7.782730 0.000000 1.761605 7.013414 7.285674 7.378753 7.387802 6.585850 7.136439 5.076397 6.578741 5.288202 8.677601 7.488516 4.308544 9.292556 9.445366 2.798926 7.285270 2.399351 2.399315 1.392392 1.389515 7.417328 0.000000 8.670007 2.482967 4.597066 5.014041 6.602495 2.111283 1.096284 2.737579 2.172857 3.000290 2.134347 3.437734 2.855181 2.748982 2.762315 4.234326 5.680419 5.362392 4.747872 6.623535 6.134822 6.194726 6.937308 0.000000 6.509339 2.940135 2.483738 2.898032 3.484294 2.193872 3.390472 1.093187 3.379083 2.187845 4.717059 2.661355 2.139243 5.873723 5.372346 2.685812 2.901636 2.852376 3.840192 4.056946 4.812044 3.412993 4.885111 3.778400 0.000000 8.156625 4.392560 5.346761 6.192368 7.122376 3.324339 2.192419 3.188999 1.091061 2.206679 3.091788 4.196504 3.621312 3.016679 4.440499 4.423313 6.015128 5.637876 4.421836 6.617838 5.610519 7.151528 6.592059 2.361395 4.168670 0.000000 8.941885 4.350634 4.433631 5.531053 6.220820 3.041830 2.186392 3.260420 1.094614 2.192209 2.649376 3.226597 4.326354 2.962548 4.148750 5.216160 4.972532 6.169042 5.513483 7.198089 6.642182 6.437945 7.392603 3.026662 3.993863 1.747384 0.000000 7.142435 4.285039 3.483683 4.558004 4.657233 2.927038 3.186344 2.177827 2.191406 1.093684 4.295364 3.006745 3.452665 5.062543 5.508411 3.864989 3.580817 4.438734 4.351733 5.323555 5.252999 5.093185 5.670157 3.904768 2.368648 2.961208 2.324750 0.000000 6.054266 4.506036 4.689039 5.471526 5.868182 3.367015 3.314500 2.190751 2.216231 1.091126 4.694006 4.137678 2.651951 5.174743 5.880107 2.758035 4.978998 3.709323 2.827367 4.502668 3.804367 6.074713 4.527980 3.559066 2.740686 2.384305 2.892720 1.744606 0.000000 10.730902 3.673930 4.142598 5.011146 6.262810 2.914626 2.156453 4.134577 2.819539 3.943674 1.099340 2.712471 5.181941 2.138453 2.153798 6.485839 5.079994 7.340657 7.120784 8.592107 8.406297 6.158664 9.054906 3.038737 4.804573 3.514565 2.482207 4.120933 4.901913 0.000000 9.177297 3.368954 2.060249 3.315226 3.916838 2.195706 2.728318 2.841170 2.801023 2.785684 3.130677 1.090271 4.334684 4.362539 4.008725 5.328138 2.643856 5.796628 6.179043 6.945669 7.273633 4.143780 7.598000 3.765033 2.977774 3.885797 2.574915 2.438464 3.854650 2.560063 0.000000 10.160789 2.597074 2.078610 2.770434 4.186452 2.168539 2.865760 3.493285 3.752204 4.013489 2.805616 1.089841 4.700916 4.303787 2.955726 5.963859 3.211689 6.408660 6.985737 7.701257 8.195114 3.909277 8.495615 3.713554 3.678520 4.756642 3.730344 4.000296 5.092600 2.385052 1.770868 0.000000 6.532072 2.448811 4.217706 3.995276 5.426908 2.732899 3.541814 2.156662 4.101814 3.488184 4.900661 4.046716 1.091885 5.879258 5.122319 2.144985 5.079326 2.754008 3.313720 4.099630 4.500814 4.781004 4.799382 3.166258 2.507439 4.480456 5.083430 4.288194 3.714052 5.488535 4.708562 4.696395 0.000000 6.530918 3.114642 4.949550 5.147942 6.435272 2.847227 2.852159 2.177133 3.045049 2.761383 4.296147 4.329206 1.093641 4.882396 4.878634 2.140946 5.782310 3.407044 2.633139 4.568134 4.021329 6.036699 4.797408 2.266317 3.050971 3.061647 4.133769 3.809085 2.742566 5.005717 4.686761 5.003275 1.749831 0.000000 8.755653 0.971210 2.555935 2.047030 4.180671 1.953070 3.266466 2.785564 4.378701 4.147175 4.000763 2.479692 3.214474 5.420519 3.761065 4.472944 3.801301 4.749031 5.718258 6.116921 6.906157 3.265430 7.060545 3.426147 2.862283 5.175468 4.977373 4.561266 4.950374 4.288790 3.528312 2.665224 2.653110 3.732774 0.000000 12.044515 5.279270 6.552174 7.275669 8.711277 4.813217 3.484769 5.898879 4.036827 5.539234 2.178580 5.102425 6.510268 1.093599 2.709124 7.815990 7.545137 8.926342 8.149008 10.148258 9.468141 8.503724 10.377695 3.737359 6.799955 4.066300 3.804793 5.970924 6.221464 2.496830 4.985227 4.733560 6.836359 5.931378 6.102456 0.000000 10.671042 5.118069 6.135022 7.026411 8.186059 4.277075 2.804412 4.963504 2.694050 4.242162 2.200968 4.703584 5.605579 1.092323 3.480575 6.716593 6.961467 7.879684 6.872850 8.986693 8.112570 8.154360 9.076173 3.155082 5.903634 2.525421 2.414300 4.679038 4.772945 2.484900 4.356932 4.717345 6.182250 5.010169 5.963901 1.765071 0.000000 10.781631 4.628008 6.467611 7.059485 8.612369 4.252599 2.774032 5.084834 3.361964 4.812408 2.177323 5.061168 5.330246 1.095637 2.791570 6.584056 7.523023 7.807710 6.792334 8.993961 8.122455 8.302367 9.118707 2.543489 6.114999 3.095010 3.599161 5.523868 5.303141 3.057955 5.090905 4.955027 5.682384 4.564176 5.569199 1.766577 1.768934 0.000000 11.053971 2.481309 4.092148 4.248600 6.193821 2.877692 2.843447 4.417082 4.299717 5.053862 2.198636 3.039783 5.043142 3.481090 1.089228 6.532464 5.383761 7.238169 7.444995 8.617547 8.796669 5.556664 9.303028 3.133641 4.980387 4.958142 4.522265 5.472789 5.999185 2.532360 3.731687 2.317526 4.824558 4.954495 2.986868 3.724753 4.354253 3.800471 0.000000 12.257935 4.082723 5.556852 5.922584 7.702643 4.186709 3.511933 5.654790 4.759907 5.912225 2.172772 4.308434 6.267974 2.722054 1.094210 7.749355 6.749426 8.631225 8.453707 9.982847 9.831430 7.207577 10.511071 3.756155 6.369335 5.190238 4.755977 6.330104 6.801617 2.489333 4.660400 3.555214 6.214703 5.935605 4.717451 2.461977 3.718028 3.115535 1.774958 0.000000 11.064255 3.113144 5.434062 5.599961 7.572476 3.512251 2.828314 4.816130 4.271172 5.294885 2.173472 4.246369 5.037240 2.771446 1.094514 6.526814 6.721064 7.479957 7.198441 8.828594 8.592141 6.924314 9.308803 2.575166 5.641594 4.553015 4.671029 5.971189 6.041083 3.067432 4.793822 3.803342 4.888889 4.584311 3.918887 3.061472 3.799547 2.605245 1.751998 1.770217 0.000000 8.782586 4.937247 2.135993 3.234050 2.148883 4.020483 5.038762 3.944610 4.840910 4.049656 5.657009 2.881097 5.382774 6.890064 6.371891 5.863139 1.079242 5.750111 6.823357 6.608838 7.571787 3.152490 7.462977 5.944194 3.308811 5.870688 4.657120 3.242259 4.834497 5.061917 2.541951 3.584337 5.686706 6.119580 4.622712 7.508029 6.784336 7.588213 5.849895 7.017572 7.121104 0.000000 4.870348 4.416323 4.508176 4.224031 4.588651 4.335443 5.474311 3.159320 5.524319 4.244674 6.901373 5.043923 2.722683 7.973989 7.315123 2.153211 4.704583 1.085358 3.384859 2.139824 3.868512 4.254318 3.379695 5.441250 2.555611 6.018859 6.326654 4.572692 4.213388 7.190344 5.512336 5.934559 2.624575 3.754419 4.126111 8.954971 8.063015 7.960820 6.854791 8.380763 7.302761 5.279733 0.000000 4.871490 5.429742 6.628057 6.970023 7.705347 4.888627 4.749005 3.702009 4.176715 3.549838 6.186964 6.156199 2.745208 6.428437 7.053215 2.150533 7.100436 3.385236 1.085118 3.867838 2.142159 7.583991 3.378787 4.303214 4.285976 3.791848 5.134830 4.423759 2.731885 6.786295 6.213671 7.005279 3.600935 2.397032 5.931481 7.516455 6.203993 6.074193 7.242075 8.052939 6.779853 7.213872 4.287490 0.000000 2.864237 6.848305 6.648691 6.478644 6.221063 6.609226 7.573738 5.215191 7.269207 5.835081 9.071918 7.252340 4.682437 9.986405 9.650254 3.417770 6.487927 2.157335 3.865351 1.082600 3.398546 6.198406 2.149578 7.511053 4.622742 7.580488 8.025271 6.020566 5.410554 9.333292 7.512760 8.227741 4.826914 5.523206 6.597039 11.022938 9.903034 9.933383 9.267341 10.720446 9.611710 6.844257 2.473536 4.950388 0.000000 2.864459 7.543548 8.235781 8.528418 8.776601 6.985932 7.068540 5.561808 6.306816 5.351273 8.542300 8.066620 4.697232 8.802751 9.454937 3.417456 8.389565 3.865782 2.159976 3.399391 1.082603 8.823654 2.147587 6.734075 5.763540 5.968401 7.123859 5.908189 4.357139 9.026696 8.042100 9.031726 5.422125 4.708798 7.855379 9.891077 8.459325 8.498014 9.559097 10.467790 9.222600 8.426773 4.951077 2.475646 4.288326 0.000000 9.026505 4.704669 3.138340 2.104320 2.151055 4.976360 6.517435 5.037346 7.099357 6.236087 7.252753 4.480635 5.673292 8.753429 7.163922 6.145263 3.137846 5.502062 7.509747 6.412279 8.216980 1.079169 7.724871 6.944931 4.192196 8.054551 7.446549 6.068220 6.914687 7.097485 5.195294 4.809292 5.193566 6.636302 3.778360 9.378704 9.096225 9.117763 6.222331 7.929910 7.561807 4.165898 4.469008 8.167071 6.281469 9.284860 0.000000 C18H24ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.4061,-.2373,.3313;-2.1071,.1375,-1.675;-2.0665,2.2574,.4423;-1.893,2.8396,-.7732;-1.0435,4.1563,.8535;-1.8783,-.1203,-.2964;-2.3436,-1.5593,.0504;-.3693,-.1324,.0935;-1.5513,-1.908,1.3373;-.3525,-.9225,1.4163;-3.859,-1.8301,.158;-2.647,.9232,.5529;.509,-.778,-1.0017;-4.1113,-3.3014,.529;-4.6246,-1.4886,-1.1289;1.9823,-.6612,-.6926;-1.5458,3.0577,1.394;2.6331,.5739,-.8011;2.7301,-1.761,-.2638;3.9824,.7136,-.4916;4.0837,-1.6434,.0509;-1.2774,3.9743,-.471;4.6975,-.4021,-.0643;-1.9717,-2.1738,-.7778;-.0045,.8879,.2382;-1.2226,-2.9483,1.3234;-2.1931,-1.8032,2.2179;-.4692,-.2442,2.2662;.6008,-1.4314,1.5669;-4.2606,-1.2156,.9763;-2.6372,.6594,1.6108;-3.6821,.9694,.215;.2873,-.293,-1.9544;.2419,-1.8317,-1.1225;-1.975,1.0874,-1.8283;-5.1841,-3.5036,.5934;-3.664,-3.573,1.4878;-3.6946,-3.965,-.2369;-4.5055,-.447,-1.4241;-5.691,-1.6991,-1.0028;-4.2571,-2.0957,-1.9622;-1.5575,2.8049,2.4432;2.0771,1.4436,-1.1363;2.2528,-2.7316,-.1778;4.4768,1.6726,-.5817;4.6539,-2.5028,.3798;-.9957,4.6873,-1.2305; 0.3418260 0.1298390 0.1033587 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= 658 RedAO= T EigKep= 1.37D-06 NBF= 658 NBsUse= 656 1.00D-06 EigRej= 9.76D-07 NBFU= 656 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= 671 671 671 671 671 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1400.37573498591 -1400.37573499 1 1.395134578339e+03 -7.474879468480e+03 2.581232045836e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773927493 LenY= 3773463051 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= 47. Will process 48 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 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. 14560 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3774873600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 800000000 NMat= 141 IRICut= 352 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 141 NMatS0= 141 NMatT0= 0 NMatD0= 141 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 78.70% of shell-pairs survive, threshold= 0.20 IRatSp=79. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 5.05D-14 1.00D-09 XBig12= 2.36D+02 7.37D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 5.05D-14 1.00D-09 XBig12= 5.94D+01 2.11D+00. 141 vectors produced by pass 2 Test12= 5.05D-14 1.00D-09 XBig12= 4.64D-01 6.93D-02. 141 vectors produced by pass 3 Test12= 5.05D-14 1.00D-09 XBig12= 1.93D-03 4.43D-03. 141 vectors produced by pass 4 Test12= 5.05D-14 1.00D-09 XBig12= 4.99D-06 2.96D-04. 121 vectors produced by pass 5 Test12= 5.05D-14 1.00D-09 XBig12= 9.07D-09 1.04D-05. 34 vectors produced by pass 6 Test12= 5.05D-14 1.00D-09 XBig12= 1.12D-11 2.67D-07. 3 vectors produced by pass 7 Test12= 5.05D-14 1.00D-09 XBig12= 1.19D-14 7.75D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 863 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 241.53 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 291.050 19.426 245.904 13.763 -8.578 187.638 378.210 24.460 373.790 25.668 -13.645 314.996 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT139058.600S 2021-07-20T15:01:48.000 -101.55308 -19.12259 -14.42308 -14.36117 -14.32392 -10.25896 -10.24635 -10.24027 -10.23987 -10.23910 -10.19328 -10.19132 -10.19126 -10.18814 -10.18742 -10.18568 -10.18466 -10.18351 -10.17838 -10.17825 -10.17729 -10.16453 -10.15576 -9.46763 -7.23218 -7.22248 -7.22219 -1.10534 -1.03443 -0.92796 -0.89694 -0.87246 -0.85733 -0.84496 -0.80735 -0.77400 -0.76554 -0.75934 -0.72286 -0.70478 -0.68773 -0.66640 -0.65243 -0.63026 -0.62250 -0.60302 -0.59794 -0.58088 -0.56875 -0.54719 -0.52617 -0.51637 -0.50587 -0.49367 -0.48877 -0.47412 -0.47103 -0.46817 -0.45953 -0.44340 -0.44032 -0.43613 -0.43240 -0.42973 -0.41818 -0.41353 -0.40667 -0.39953 -0.39395 -0.38921 -0.37705 -0.37124 -0.36674 -0.36277 -0.35462 -0.34868 -0.34430 -0.33867 -0.33215 -0.32484 -0.32469 -0.31952 -0.31662 -0.30841 -0.30126 -0.28981 -0.27884 -0.27112 -0.24617 -0.03035 -0.02718 -0.02540 -0.01453 -0.00342 0.00085 0.00729 0.01130 0.01411 0.01749 0.02131 0.02680 0.02755 0.03260 0.03668 0.04096 0.04309 0.04914 0.05261 0.05414 0.05569 0.05872 0.06260 0.06591 0.06851 0.07116 0.07651 0.08102 0.08222 0.08598 0.08740 0.09185 0.09402 0.09981 0.10342 0.10844 0.10963 0.11311 0.11764 0.11930 0.12016 0.12234 0.12719 0.12912 0.13293 0.13457 0.13942 0.14081 0.14258 0.14591 0.14890 0.15017 0.15502 0.15999 0.16015 0.16236 0.16582 0.16789 0.17090 0.17263 0.17488 0.17756 0.18053 0.18252 0.18568 0.18795 0.18866 0.19152 0.19389 0.19670 0.19803 0.20100 0.20342 0.20635 0.20851 0.21023 0.21308 0.21476 0.21901 0.22116 0.22469 0.22694 0.22959 0.23257 0.23492 0.23843 0.23922 0.24320 0.24423 0.24644 0.24837 0.25122 0.25329 0.25746 0.25863 0.25968 0.26578 0.27029 0.27261 0.27525 0.27875 0.27962 0.28224 0.28634 0.28749 0.28833 0.29162 0.29405 0.29711 0.30068 0.30171 0.30805 0.31266 0.31646 0.31734 0.32184 0.32540 0.33119 0.33346 0.33762 0.33933 0.34268 0.34855 0.35036 0.35269 0.35714 0.36566 0.36977 0.37634 0.38014 0.38913 0.39116 0.39459 0.40930 0.41561 0.42074 0.42392 0.42965 0.43429 0.43968 0.44339 0.44856 0.45560 0.46107 0.46846 0.46998 0.47800 0.48901 0.49515 0.50446 0.51047 0.51298 0.52600 0.52768 0.53636 0.54023 0.54577 0.55020 0.55420 0.56460 0.56718 0.57172 0.57756 0.58005 0.58316 0.59413 0.59618 0.59961 0.60971 0.61411 0.61792 0.62326 0.62512 0.63113 0.63895 0.64550 0.65203 0.65634 0.66173 0.66539 0.66815 0.67021 0.67655 0.67823 0.68335 0.68979 0.69109 0.69697 0.70509 0.70593 0.70854 0.71265 0.71503 0.72043 0.72407 0.72715 0.73076 0.73499 0.74002 0.74338 0.75420 0.75611 0.76226 0.76710 0.76934 0.77629 0.77796 0.78357 0.78744 0.79215 0.79784 0.80860 0.81264 0.81976 0.83168 0.83579 0.83654 0.84617 0.85290 0.85974 0.86337 0.86745 0.86970 0.87286 0.87667 0.88337 0.89231 0.89658 0.90506 0.90908 0.91775 0.92886 0.93754 0.94564 0.95478 0.96046 0.96346 0.96915 0.98357 0.99121 1.00049 1.00680 1.01798 1.02085 1.03440 1.04176 1.05604 1.05957 1.07317 1.07538 1.08066 1.08712 1.09808 1.10903 1.11324 1.12954 1.13436 1.15055 1.15901 1.16963 1.18693 1.19085 1.19954 1.22255 1.22971 1.24354 1.25157 1.25506 1.26288 1.27918 1.28456 1.29486 1.30336 1.31546 1.32283 1.33367 1.35076 1.35200 1.35919 1.37678 1.38107 1.40485 1.41484 1.42530 1.44025 1.44496 1.45964 1.46865 1.47457 1.48498 1.49548 1.49974 1.50623 1.51041 1.52455 1.52942 1.54239 1.54928 1.55248 1.55507 1.56211 1.56885 1.57170 1.58270 1.59035 1.59331 1.60992 1.60997 1.61835 1.62881 1.63627 1.63993 1.64131 1.64621 1.65227 1.66165 1.66714 1.67115 1.68053 1.68990 1.69358 1.69832 1.70321 1.71422 1.72060 1.73197 1.73745 1.74173 1.75403 1.75818 1.76022 1.77068 1.77443 1.77972 1.79016 1.80571 1.81113 1.81522 1.82416 1.83219 1.84063 1.84463 1.85218 1.86128 1.87112 1.87311 1.88037 1.89543 1.89957 1.91001 1.91802 1.92641 1.92943 1.94237 1.94363 1.94564 1.96363 1.97191 1.97271 1.97765 1.99016 1.99842 2.02097 2.02849 2.04048 2.05556 2.05914 2.07369 2.08202 2.09815 2.10088 2.11404 2.12523 2.13883 2.14485 2.15394 2.16504 2.17146 2.18117 2.20536 2.21537 2.22552 2.23677 2.24142 2.25449 2.26381 2.26925 2.27046 2.28705 2.31230 2.31548 2.32272 2.33184 2.34056 2.35294 2.36559 2.36989 2.39176 2.39362 2.40038 2.40363 2.41371 2.42201 2.43816 2.43861 2.45002 2.46085 2.46435 2.47973 2.49761 2.50685 2.51720 2.52465 2.53504 2.53951 2.55065 2.55654 2.56526 2.57082 2.58298 2.59026 2.60146 2.60701 2.61525 2.62358 2.62730 2.63470 2.64036 2.65958 2.66776 2.67366 2.68016 2.68413 2.69475 2.69896 2.70557 2.71536 2.72755 2.74059 2.75154 2.75604 2.76185 2.76677 2.77276 2.77918 2.79455 2.80749 2.81250 2.82721 2.83185 2.83451 2.85124 2.85412 2.87853 2.89059 2.89310 2.90233 2.91212 2.91730 2.92015 2.92711 2.93579 2.94023 2.95094 2.95274 2.96594 2.96865 2.99591 3.01472 3.04189 3.05607 3.06719 3.09921 3.10474 3.10769 3.11676 3.12233 3.13581 3.16942 3.17628 3.18400 3.19653 3.20713 3.21511 3.27753 3.28999 3.30681 3.32211 3.34174 3.36790 3.40141 3.41809 3.47312 3.49724 3.52699 3.55169 3.55297 3.59192 3.60336 3.64562 3.67410 3.68232 3.70267 3.78042 3.79319 3.80744 3.81409 3.81504 3.83453 3.84106 3.84859 3.88055 3.92107 3.92986 3.93835 3.98152 3.98887 4.01444 4.07371 4.08352 4.12608 4.13989 4.14985 4.15484 4.20866 4.24654 4.29124 4.33899 4.37420 4.39319 4.43545 4.46317 4.65572 4.80176 4.83620 5.08246 5.22912 5.42423 5.48903 5.71006 9.78272 23.55419 23.76939 23.83235 23.84678 23.87054 23.89710 23.92055 23.92717 23.93537 23.95533 23.95724 23.96837 23.97697 23.98868 24.00191 24.06860 24.09334 24.17262 25.83798 26.11559 26.60902 35.46923 35.52451 35.66826 50.00747 215.77407 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 0.392326 -0.142318 0.093967 -0.098875 -0.128499 0.263943 0.501786 -0.133010 -0.498900 -0.814217 0.069025 -0.931895 -0.424507 -0.525575 -0.522063 0.593631 -0.006882 -0.251525 -0.379228 -0.634054 -0.731234 -0.089251 0.646437 0.175345 0.189553 0.164652 0.154266 0.161624 0.170633 0.126440 0.158300 0.206245 0.181277 0.130757 0.250814 0.141053 0.139833 0.142121 0.154207 0.129525 0.145721 0.139975 0.132853 0.120062 0.146860 0.145381 0.143421 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 Cl O N N N C C C C C C C C C C C C C C C C C C 0.392326 0.108496 0.093967 -0.098875 -0.128499 0.263943 0.677131 0.056543 -0.179982 -0.481960 0.195464 -0.567350 -0.112473 -0.102567 -0.092610 0.593631 0.133093 -0.118673 -0.259166 -0.487194 -0.585853 0.054170 0.646437 -0.00000 -1.14110752e+00 -6.51613192e-01 6.70957083e-01 2.91049563e+02 1.94264529e+01 2.45904102e+02 1.37631906e+01 -8.57817348e+00 1.87638471e+02 -1.2128 -0.0002 0.0010 0.0025 3.3535 5.3295 19.8215 33.3600 39.3656 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 19.7929 33.3599 39.3640 53.0850 56.2053 72.9002 89.3064 91.6653 128.9483 145.2918 164.4095 180.5207 205.0907 228.4349 253.0942 260.9954 270.9102 310.3463 321.6683 329.5025 360.9009 374.9084 387.9357 392.2915 416.6827 420.0911 439.6318 461.6805 517.3975 535.8815 569.3046 595.2097 609.8166 647.6223 659.8396 669.8547 679.9792 692.5681 725.1278 752.8637 785.4104 807.4146 825.5217 837.0404 850.6052 857.4829 874.8631 886.5130 903.2011 917.6332 921.5774 946.2998 958.3315 960.6256 971.9890 975.4873 978.9611 980.1572 1020.0197 1032.1443 1033.4165 1052.0585 1065.0746 1082.1243 1097.5487 1101.1488 1126.9619 1135.7438 1155.0584 1157.1521 1167.7443 1192.4068 1201.6028 1212.5867 1218.4784 1227.8921 1234.5324 1252.2013 1261.2754 1285.0902 1306.4345 1310.7621 1320.5106 1325.2276 1333.8998 1335.5057 1342.8869 1345.6166 1350.4884 1356.9596 1368.1365 1380.8989 1394.5439 1409.1554 1411.4083 1433.5171 1436.8076 1440.7846 1472.9823 1487.1022 1489.8238 1494.2088 1500.2137 1501.7632 1510.5053 1517.1774 1522.1517 1526.7365 1535.6758 1611.2739 1635.6756 2978.0427 3014.9799 3017.8286 3024.3914 3025.8885 3038.0109 3043.5598 3056.4621 3073.9457 3074.5203 3078.4255 3081.7846 3089.4102 3093.1813 3095.2446 3124.5898 3129.8704 3158.8653 3159.9779 3196.0018 3197.1296 3245.5948 3249.9645 3666.8558 6.3473 5.0877 4.7704 3.9290 5.8552 3.0425 3.5278 3.6745 3.4293 3.9956 4.6590 5.4055 2.3279 1.9359 1.1980 2.1970 4.2854 4.1947 4.5713 3.7006 3.0199 3.0480 2.7913 2.1323 5.2736 3.0788 2.4736 2.5658 3.0296 3.0752 3.4933 1.3240 2.5091 6.7218 4.0500 4.0077 4.3347 3.7152 3.7468 2.0757 3.5668 1.8722 2.6369 1.2522 2.0689 1.4428 2.4692 2.5711 1.4025 2.0144 2.0010 1.1980 2.0751 1.4666 1.6753 6.1397 1.5178 1.7138 1.7172 3.8742 5.3543 3.4451 2.5297 2.2481 2.7758 3.0742 1.9392 1.6949 1.9125 1.8010 1.8489 1.5633 1.7051 1.1508 1.5714 2.6985 1.9365 1.9797 1.3516 1.4337 1.4535 2.7298 2.1728 1.3083 1.4174 1.6897 1.6275 1.6934 1.4301 1.4366 1.7406 1.9391 1.3581 1.3787 1.2282 1.2460 1.7393 1.8433 2.8427 1.1956 1.0543 1.0598 1.1041 1.0801 1.0638 1.0526 2.1464 1.1308 3.4374 6.5217 5.6291 1.0813 1.0446 1.0724 1.0440 1.0702 1.0697 1.0651 1.0788 1.0961 1.0996 1.0607 1.0980 1.0999 1.1000 1.0993 1.0971 1.1062 1.0893 1.0893 1.0933 1.0941 1.0962 1.1011 1.0668 0.0015 0.0033 0.0044 0.0065 0.0109 0.0095 0.0166 0.0182 0.0336 0.0497 0.0742 0.1038 0.0577 0.0595 0.0452 0.0882 0.1853 0.2380 0.2787 0.2367 0.2318 0.2524 0.2475 0.1933 0.5395 0.3201 0.2817 0.3222 0.4778 0.5203 0.6671 0.2764 0.5497 1.6610 1.0389 1.0595 1.1809 1.0499 1.1607 0.6932 1.2963 0.7191 1.0588 0.5169 0.8820 0.6250 1.1135 1.1905 0.6741 0.9994 1.0013 0.6321 1.1229 0.7974 0.9325 3.4422 0.8571 0.9701 1.0526 2.4317 3.3690 2.2466 1.6908 1.5510 1.9701 2.1962 1.4511 1.2881 1.5034 1.4209 1.4855 1.3096 1.4505 0.9970 1.3746 2.3971 1.7389 1.8289 1.2669 1.3950 1.4616 2.7633 2.2324 1.3537 1.4859 1.7756 1.7292 1.8066 1.5367 1.5585 1.9196 2.1786 1.5561 1.6130 1.4415 1.5085 2.1155 2.2545 3.6339 1.5578 1.3787 1.3941 1.4641 1.4352 1.4301 1.4275 2.9300 1.5529 4.7761 9.9758 8.8732 5.6503 5.5945 5.7543 5.6266 5.7731 5.8168 5.8130 5.9381 6.1023 6.1240 5.9223 6.1442 6.1851 6.2009 6.2050 6.3110 6.3846 6.4041 6.4087 6.5798 6.5891 6.8036 6.8520 8.4511 0.1763 0.0348 0.2599 0.3344 0.0241 0.2606 1.3219 0.0394 0.6050 0.9914 0.1574 1.8895 0.6018 0.7254 0.3105 1.6016 0.3390 3.3106 1.6430 1.0454 1.8923 3.6854 0.6001 0.8035 10.2992 0.8478 0.5881 0.4624 7.3353 14.5049 11.7513 83.4946 22.4391 0.3918 2.5765 1.5277 35.8953 16.9339 2.2680 3.9676 14.9356 16.9887 11.6463 0.0587 12.6255 13.4473 8.2922 3.6426 6.6858 7.4751 2.5776 0.4568 3.4730 1.5883 1.5047 10.6100 0.9389 2.9277 1.9537 26.6758 24.8628 6.0208 10.2658 4.2183 37.1118 52.9633 5.7720 4.6365 1.5865 2.9009 32.5802 0.4376 6.6374 0.2517 19.4125 2.2553 5.1907 25.0812 4.2255 2.7935 6.2486 39.8546 0.5207 3.5300 4.9560 4.8268 2.6949 6.2814 10.3816 6.1658 10.8938 18.1150 4.8532 3.1961 6.8887 3.1408 32.7503 28.1456 26.3387 2.4020 1.2995 7.0567 5.5941 3.4436 5.9455 23.0653 63.7224 10.2638 66.2223 0.3924 3.8075 19.5529 13.9121 16.2139 57.1242 11.1088 40.0113 5.8238 33.3586 9.2587 2.9144 7.6554 83.6016 14.2153 30.0775 46.5529 20.9972 6.3380 8.5042 11.7965 4.3952 0.5301 1.6968 1.5551 223.4113 -0.03 0.20 -0.04 0.02 -0.02 -0.00 0.09 -0.03 0.01 0.15 -0.04 0.01 0.20 -0.10 0.04 -0.01 -0.04 -0.00 -0.07 -0.02 -0.01 -0.02 -0.09 0.02 -0.11 -0.05 0.01 -0.07 -0.09 0.03 -0.08 0.04 -0.03 0.02 -0.00 -0.01 -0.02 -0.13 0.05 -0.15 0.05 -0.04 -0.05 0.07 -0.05 -0.02 -0.06 0.02 0.12 -0.07 0.02 -0.07 -0.05 -0.09 0.02 0.00 0.12 -0.07 0.03 -0.11 0.02 0.08 0.10 0.21 -0.08 0.03 -0.03 0.09 -0.01 -0.08 -0.03 -0.00 0.01 -0.11 0.02 -0.14 -0.06 0.01 -0.12 -0.02 -0.01 -0.06 -0.08 0.02 -0.09 -0.12 0.04 -0.07 0.06 -0.04 -0.02 -0.01 -0.01 0.03 0.05 -0.04 -0.04 -0.19 0.02 0.01 -0.15 0.11 0.07 -0.03 -0.00 -0.16 0.09 -0.05 -0.17 0.03 -0.03 -0.16 0.03 -0.03 -0.00 0.07 -0.05 -0.06 0.11 -0.06 -0.06 0.06 -0.04 0.08 -0.08 0.02 -0.10 -0.10 -0.16 0.06 -0.01 0.21 -0.11 0.04 -0.20 0.05 0.13 0.18 0.27 -0.09 0.04 0.07 -0.04 -0.13 0.06 0.02 -0.00 -0.04 0.01 0.01 0.00 0.02 0.02 -0.17 0.07 0.08 0.01 0.02 0.00 0.01 0.01 -0.01 0.00 0.02 0.05 -0.03 0.02 0.02 -0.05 0.05 0.07 0.01 -0.00 -0.07 -0.03 0.00 -0.02 0.02 -0.04 0.09 0.02 -0.01 -0.08 0.06 -0.01 -0.10 0.02 -0.03 0.08 -0.15 0.04 0.05 0.06 -0.07 -0.11 -0.01 0.01 0.23 0.07 -0.07 -0.17 0.00 0.01 0.18 -0.07 0.05 0.06 0.04 -0.03 -0.03 0.05 0.01 0.00 0.01 0.02 0.03 -0.00 0.03 0.02 -0.06 0.00 -0.01 -0.11 0.06 0.05 -0.05 0.07 0.13 -0.03 -0.01 -0.08 -0.06 -0.00 -0.02 -0.01 -0.01 -0.06 0.02 -0.09 0.06 0.01 -0.04 0.14 0.06 0.02 0.01 0.02 -0.02 -0.12 -0.02 -0.00 -0.06 0.05 -0.00 -0.07 0.06 -0.01 -0.09 0.06 -0.03 -0.14 0.10 -0.01 -0.09 -0.21 0.04 0.05 0.08 -0.10 -0.23 -0.04 0.04 0.38 0.10 -0.10 -0.33 -0.02 0.04 0.29 -0.06 0.07 0.08 0.07 0.00 -0.14 0.05 -0.03 0.01 -0.02 0.00 -0.03 0.05 -0.03 -0.04 -0.04 0.02 -0.03 -0.01 -0.01 0.03 -0.04 -0.00 0.03 -0.02 -0.02 0.09 -0.11 0.02 0.07 -0.06 -0.04 0.08 -0.05 0.02 -0.05 -0.03 0.01 -0.02 0.01 -0.01 0.11 -0.08 0.03 -0.02 0.03 -0.01 -0.10 0.01 0.01 0.12 -0.07 0.03 -0.03 -0.03 0.05 0.25 0.07 -0.02 -0.07 -0.02 0.05 0.19 0.09 -0.02 -0.14 0.03 -0.02 -0.04 0.04 0.01 -0.02 0.00 -0.02 0.06 -0.03 -0.03 0.11 -0.16 -0.00 0.14 -0.14 0.09 0.04 -0.02 -0.05 0.09 -0.09 -0.09 0.06 -0.09 0.04 -0.09 -0.06 0.03 -0.01 -0.02 0.01 -0.05 0.02 -0.02 0.10 0.03 -0.02 0.11 0.07 -0.03 0.00 -0.09 0.04 -0.08 -0.15 0.05 0.01 -0.04 0.00 0.02 0.05 -0.02 -0.12 0.02 0.00 -0.16 0.07 -0.03 -0.07 -0.13 0.07 -0.02 -0.08 0.07 0.40 0.11 -0.05 -0.17 -0.06 0.07 0.29 0.14 -0.05 -0.29 0.07 -0.04 -0.05 -0.03 -0.03 0.00 -0.04 -0.02 -0.05 -0.02 0.01 -0.01 0.18 -0.02 0.01 0.03 -0.05 0.11 -0.03 0.02 -0.04 0.01 0.02 0.01 -0.03 0.07 -0.05 0.00 0.11 0.04 -0.01 0.13 -0.01 0.02 -0.04 -0.01 -0.06 0.02 -0.07 -0.03 0.04 -0.03 0.07 -0.02 0.12 0.05 -0.19 -0.07 -0.03 0.03 -0.02 -0.11 -0.02 0.05 -0.02 0.03 -0.01 -0.04 0.02 -0.03 -0.02 0.01 -0.00 -0.04 0.00 -0.02 0.20 -0.05 0.08 -0.03 -0.00 -0.01 0.05 -0.01 0.05 -0.05 0.08 -0.09 0.01 0.11 0.12 -0.01 0.17 0.03 -0.01 0.16 -0.04 -0.00 0.14 0.00 -0.03 0.02 -0.08 -0.14 0.01 -0.08 -0.04 0.04 -0.15 -0.02 0.03 -0.04 -0.04 0.04 -0.02 0.04 -0.03 -0.07 0.08 -0.06 0.09 0.03 0.10 0.17 0.14 -0.07 0.21 0.03 -0.21 -0.16 0.06 -0.21 -0.08 0.10 -0.26 0.00 -0.26 -0.01 0.05 -0.01 0.03 -0.00 -0.05 0.02 -0.04 -0.01 0.00 0.01 -0.05 -0.01 -0.03 0.35 -0.07 0.12 0.02 -0.05 -0.06 -0.02 0.03 0.01 -0.08 0.01 0.01 -0.25 0.08 0.02 0.28 -0.16 -0.06 -0.04 0.03 0.01 0.01 0.02 0.00 -0.04 0.07 0.03 -0.03 0.07 0.04 -0.05 0.09 0.05 0.01 -0.05 -0.06 -0.07 0.01 0.01 -0.02 0.07 0.05 0.07 -0.06 -0.05 0.06 -0.11 -0.10 -0.02 0.06 0.07 0.25 -0.14 -0.04 0.00 0.04 0.04 -0.04 0.05 0.09 0.01 0.01 0.01 -0.04 0.02 0.06 -0.04 -0.03 -0.02 -0.01 0.00 0.01 0.07 0.02 0.03 -0.06 0.08 0.02 -0.01 0.07 0.08 -0.06 0.09 0.02 -0.07 0.10 0.03 -0.04 0.11 0.07 -0.05 -0.05 -0.09 -0.09 0.01 0.01 -0.07 0.01 -0.02 -0.01 0.07 0.05 -0.02 0.07 0.05 -0.12 0.05 0.02 0.08 -0.11 -0.10 0.03 -0.02 -0.02 0.15 -0.05 -0.01 0.01 -0.10 -0.10 0.07 -0.17 -0.16 0.15 -0.09 -0.08 0.45 -0.22 -0.05 0.02 0.05 0.03 -0.07 0.06 0.11 0.04 -0.00 -0.02 -0.05 0.01 0.06 -0.11 0.00 -0.03 0.02 -0.03 -0.05 -0.03 -0.02 -0.02 -0.04 -0.00 -0.03 0.07 -0.05 -0.04 0.04 -0.05 -0.02 -0.03 0.00 -0.01 0.00 -0.01 -0.02 -0.03 0.05 0.01 0.07 -0.06 -0.08 -0.04 0.06 0.01 0.01 -0.03 0.05 -0.06 0.00 -0.03 -0.00 0.06 0.03 0.06 -0.08 -0.11 -0.10 0.11 0.16 -0.01 0.05 0.06 -0.06 -0.00 -0.02 0.01 0.04 0.06 -0.03 0.05 0.07 0.01 0.02 0.04 -0.02 0.02 0.05 0.11 -0.08 -0.03 0.00 0.01 0.02 -0.04 0.03 -0.07 -0.05 0.05 0.00 0.19 -0.02 -0.21 0.08 -0.24 -0.05 -0.18 0.06 -0.01 0.01 0.16 0.09 0.07 -0.13 0.16 -0.07 0.01 -0.03 -0.05 -0.00 -0.05 0.02 0.06 0.02 0.00 0.06 0.01 -0.00 -0.02 -0.03 0.07 -0.10 -0.01 0.17 -0.20 -0.19 -0.02 0.03 -0.24 -0.13 0.14 0.26 -0.09 0.09 0.23 -0.17 0.21 0.06 -0.14 0.03 -0.01 0.02 0.05 0.06 -0.04 0.05 0.07 0.03 0.01 0.03 -0.03 0.01 0.04 0.20 -0.11 -0.04 0.01 0.05 -0.02 0.04 -0.01 -0.10 -0.02 -0.00 -0.03 -0.07 0.10 0.01 -0.01 -0.04 0.09 0.01 0.01 -0.09 0.02 0.01 -0.05 0.00 0.02 -0.07 0.07 0.02 -0.07 -0.04 0.15 -0.00 0.02 0.04 0.03 -0.02 -0.00 -0.11 0.01 -0.14 0.03 0.00 0.05 0.08 -0.04 0.02 0.07 0.01 -0.11 0.04 0.02 -0.08 0.01 -0.04 -0.08 0.07 0.06 -0.09 -0.00 -0.04 -0.03 0.06 0.06 -0.05 -0.02 -0.07 0.08 0.08 0.01 -0.02 0.01 -0.04 -0.01 -0.06 0.02 0.03 -0.17 0.20 0.06 -0.16 0.07 -0.13 -0.05 -0.22 0.21 -0.08 -0.00 0.27 0.15 0.07 0.06 0.04 -0.10 -0.03 -0.12 -0.00 0.02 -0.17 0.03 -0.27 -0.04 0.01 -0.15 0.18 0.01 -0.01 -0.10 0.00 0.08 0.16 0.06 0.06 0.06 -0.06 0.03 0.07 -0.00 0.00 0.01 -0.05 0.09 0.14 -0.13 -0.04 0.07 0.07 -0.17 -0.01 -0.07 -0.09 0.11 0.10 -0.11 -0.02 -0.08 -0.01 0.09 0.10 -0.04 -0.06 -0.10 0.14 0.13 0.07 -0.05 -0.01 0.01 -0.03 -0.05 -0.03 -0.04 -0.02 -0.04 -0.01 -0.00 -0.01 -0.06 0.03 -0.01 -0.03 -0.04 -0.03 -0.03 -0.05 -0.01 -0.01 -0.02 -0.01 -0.07 -0.08 0.00 -0.09 -0.06 -0.05 0.06 0.02 -0.02 -0.04 -0.05 0.05 0.11 -0.05 -0.15 0.12 0.19 -0.06 -0.02 0.01 0.04 0.10 0.01 -0.01 -0.08 0.00 0.08 0.08 -0.00 0.00 0.09 0.06 0.09 0.04 0.01 0.00 0.05 0.07 -0.03 -0.02 0.03 0.05 0.03 0.03 -0.09 -0.04 -0.06 -0.05 -0.01 0.05 -0.02 -0.07 -0.11 0.01 -0.08 -0.06 0.02 -0.13 -0.03 -0.00 -0.10 -0.10 0.01 0.16 -0.03 -0.04 -0.06 -0.05 -0.02 -0.04 -0.07 0.08 0.20 -0.01 0.07 0.12 -0.16 -0.00 -0.03 -0.04 -0.17 0.21 0.23 -0.17 0.19 0.22 -0.22 -0.00 0.27 0.05 -0.08 -0.13 -0.08 0.12 0.08 -0.17 -0.18 0.08 -0.00 -0.11 -0.01 0.12 0.09 -0.03 -0.03 0.11 0.07 0.12 0.02 -0.02 -0.03 0.04 0.09 -0.03 -0.00 0.04 0.04 -0.00 0.06 0.01 -0.11 -0.04 -0.06 -0.04 -0.03 -0.05 -0.00 -0.01 -0.01 -0.09 0.05 -0.00 -0.03 -0.02 -0.01 0.00 0.07 0.00 0.01 -0.01 -0.09 0.16 0.16 0.01 0.05 0.02 -0.02 0.02 0.03 -0.05 -0.03 -0.07 0.03 0.02 -0.00 -0.04 -0.00 -0.09 -0.03 0.14 0.06 0.04 0.02 -0.03 -0.04 -0.09 0.01 0.06 0.01 -0.06 0.04 0.01 -0.06 0.07 -0.00 -0.07 0.05 -0.00 -0.07 -0.02 -0.03 0.04 0.06 -0.00 -0.05 0.04 -0.09 0.16 -0.03 0.02 -0.03 -0.20 0.12 0.38 -0.13 0.40 0.11 0.15 0.09 0.01 -0.03 -0.04 -0.04 -0.01 -0.04 0.07 -0.10 -0.04 -0.07 -0.03 -0.05 -0.11 0.02 0.01 -0.01 0.03 0.02 -0.00 -0.00 -0.11 -0.08 -0.04 0.01 -0.05 0.01 -0.09 -0.13 -0.09 0.05 -0.17 -0.09 0.18 0.18 -0.02 0.07 0.04 0.00 0.26 -0.01 -0.05 -0.14 -0.00 0.07 0.01 -0.07 0.04 0.01 -0.06 0.07 -0.01 -0.08 0.04 -0.01 -0.07 0.00 -0.01 0.07 0.01 -0.02 -0.08 -0.07 -0.06 -0.05 0.14 -0.01 -0.02 0.06 0.06 -0.00 -0.03 0.07 0.05 -0.01 -0.03 -0.06 -0.03 -0.01 0.01 0.00 -0.05 -0.11 -0.08 0.09 0.06 0.05 -0.05 -0.10 -0.02 -0.05 0.02 0.08 0.01 -0.04 0.02 -0.02 -0.11 0.06 -0.08 -0.04 -0.08 -0.03 0.06 -0.01 -0.00 0.00 0.08 -0.00 0.00 -0.02 0.02 0.07 -0.03 0.02 0.08 -0.04 0.03 0.13 -0.04 0.03 0.14 -0.05 0.11 0.04 -0.04 0.02 0.11 0.01 -0.06 0.07 -0.00 -0.05 -0.11 -0.22 0.05 0.25 -0.08 0.33 0.03 0.26 -0.04 -0.09 0.00 -0.18 -0.22 -0.02 -0.09 0.05 0.11 0.00 -0.04 0.07 0.07 0.00 0.06 0.02 -0.10 0.03 -0.01 -0.16 -0.03 -0.08 -0.09 0.07 -0.14 -0.04 0.08 -0.10 -0.05 0.09 -0.03 -0.07 -0.15 -0.00 0.12 -0.06 -0.10 0.08 -0.06 0.05 0.01 0.13 -0.05 -0.01 -0.02 0.01 0.06 -0.02 0.01 0.07 -0.04 0.03 0.14 -0.05 0.04 0.16 -0.13 0.17 0.07 -0.08 -0.02 -0.08 0.07 -0.04 -0.00 -0.03 -0.07 0.02 -0.02 -0.10 0.01 -0.04 -0.07 -0.01 0.07 -0.03 -0.00 0.11 -0.02 0.03 0.05 0.02 -0.03 0.12 0.04 0.04 0.11 0.06 -0.02 0.09 0.09 -0.01 0.03 -0.08 0.02 -0.01 0.01 -0.06 -0.06 0.13 -0.00 0.20 0.17 -0.05 -0.04 -0.01 -0.03 -0.03 -0.06 0.01 -0.07 0.01 0.03 -0.08 0.00 0.03 -0.09 0.02 0.09 -0.09 0.01 0.09 -0.02 -0.10 -0.01 -0.10 0.01 0.08 0.10 -0.06 0.05 0.05 0.03 -0.08 0.12 0.04 0.09 0.12 0.08 0.04 0.14 0.08 -0.03 0.12 0.07 -0.04 0.11 0.13 -0.03 0.05 -0.10 0.01 0.02 -0.11 0.03 -0.01 0.02 -0.05 -0.04 0.01 -0.07 0.03 -0.03 0.01 -0.08 0.27 0.07 -0.03 0.08 -0.03 -0.20 0.08 -0.03 0.18 0.19 0.03 0.19 0.12 -0.16 0.29 0.25 -0.07 -0.04 -0.04 0.01 -0.08 0.01 0.03 -0.08 0.00 0.02 -0.09 0.03 0.12 -0.09 0.02 0.11 -0.02 -0.11 -0.02 -0.09 -0.04 0.00 0.22 -0.14 -0.02 0.06 0.03 -0.13 0.03 0.16 -0.07 0.00 0.02 0.07 0.05 -0.04 0.04 0.03 -0.04 0.05 0.01 -0.03 0.15 0.02 -0.12 0.03 -0.00 -0.11 0.10 0.03 -0.03 0.04 -0.01 0.05 -0.16 -0.03 0.07 0.07 0.01 -0.04 -0.00 0.06 0.01 0.04 -0.05 0.07 0.00 0.04 -0.05 -0.05 -0.05 0.06 -0.03 -0.07 0.05 -0.03 -0.04 0.04 -0.05 -0.08 0.02 -0.05 -0.01 0.16 0.05 -0.07 0.02 -0.05 0.02 -0.03 0.03 0.01 -0.04 0.22 0.04 -0.11 -0.05 0.02 -0.19 0.03 -0.04 -0.15 0.13 0.01 -0.09 0.10 0.04 -0.04 0.05 -0.17 0.11 -0.15 0.04 0.09 -0.30 -0.08 0.13 0.12 -0.03 0.07 -0.00 0.21 -0.16 -0.09 0.01 -0.04 -0.04 -0.02 -0.07 0.00 0.03 -0.02 -0.01 0.14 -0.01 0.02 0.04 0.10 0.04 0.01 -0.04 0.05 0.06 -0.17 -0.07 -0.05 0.06 -0.02 -0.10 0.06 -0.03 -0.01 0.02 -0.06 -0.08 0.02 -0.06 -0.04 0.25 0.13 0.01 -0.03 0.02 -0.11 -0.09 0.00 0.12 -0.03 0.01 0.05 -0.01 0.01 -0.03 0.05 0.00 -0.04 -0.04 -0.00 -0.01 -0.04 0.03 -0.03 0.01 -0.02 0.04 -0.04 -0.00 -0.06 0.10 0.03 -0.02 -0.02 -0.00 0.03 0.00 0.01 -0.00 -0.01 0.02 -0.11 -0.01 -0.01 0.06 -0.02 -0.05 -0.00 0.04 0.01 0.07 0.01 0.01 0.01 0.04 -0.01 0.01 0.04 -0.01 0.02 0.03 -0.02 0.01 0.03 -0.03 -0.04 0.04 0.01 0.02 0.02 -0.03 -0.02 -0.04 0.02 -0.05 0.02 -0.07 0.18 0.01 -0.10 0.06 -0.19 0.03 -0.22 0.16 -0.04 -0.02 0.22 0.17 -0.04 0.00 -0.03 0.03 -0.00 0.01 0.03 0.07 0.03 -0.02 -0.06 -0.00 0.04 -0.03 0.06 -0.07 -0.10 -0.05 -0.12 0.11 0.18 0.04 -0.09 -0.10 -0.32 -0.03 -0.11 -0.18 0.06 0.13 0.09 -0.31 -0.23 0.33 0.22 -0.10 0.11 -0.00 0.01 0.01 0.04 0.00 0.00 0.04 -0.00 0.02 0.03 -0.03 0.00 0.02 -0.04 -0.11 0.07 0.01 -0.02 -0.04 0.01 0.04 0.02 -0.02 0.10 -0.07 0.03 0.04 -0.08 0.02 -0.04 0.01 -0.02 0.01 -0.02 -0.02 0.01 -0.01 -0.03 -0.00 0.01 -0.00 -0.02 0.05 0.02 -0.05 0.08 0.04 0.01 -0.00 -0.03 0.05 -0.04 0.02 -0.00 -0.02 0.03 0.01 -0.00 -0.03 -0.05 0.01 0.01 -0.01 0.04 0.01 0.06 -0.01 0.01 -0.02 0.04 -0.01 -0.01 0.04 -0.01 -0.01 0.04 -0.02 -0.01 0.04 -0.03 -0.05 -0.03 -0.01 -0.01 0.03 -0.03 0.03 -0.04 -0.00 -0.01 0.01 -0.05 0.01 0.06 0.07 -0.06 0.06 -0.01 -0.12 0.13 -0.01 -0.04 0.12 0.12 0.03 -0.00 -0.02 0.05 -0.07 0.01 0.04 0.01 0.04 -0.04 -0.09 0.01 0.04 -0.04 0.10 0.03 0.02 0.02 0.01 -0.04 -0.17 -0.11 0.03 0.03 0.13 -0.00 0.04 0.31 -0.11 -0.24 -0.11 0.44 0.22 -0.41 -0.33 0.09 0.09 0.01 0.02 -0.02 0.04 0.00 -0.01 0.04 -0.00 -0.01 0.04 -0.02 -0.01 0.04 -0.03 -0.12 -0.02 -0.03 0.01 -0.01 0.00 -0.04 -0.05 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.02 0.01 0.02 -0.01 -0.01 -0.01 0.01 -0.03 -0.01 -0.01 0.00 -0.00 -0.02 0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.04 0.02 0.01 0.02 0.06 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.01 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.05 0.01 0.01 -0.01 -0.01 -0.01 0.04 -0.02 -0.08 0.04 -0.09 0.01 -0.05 0.01 -0.02 0.00 0.03 0.02 -0.04 0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.00 -0.03 -0.06 -0.04 0.05 -0.17 -0.50 -0.37 0.19 0.25 0.54 0.03 0.28 -0.05 0.09 0.08 0.03 -0.04 -0.07 0.12 0.15 -0.03 0.00 -0.02 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.01 0.01 0.01 0.02 0.06 -0.01 -0.09 -0.08 0.03 -0.01 0.04 -0.01 -0.00 0.05 -0.01 0.02 0.02 0.01 -0.03 -0.02 0.03 0.01 -0.03 0.06 -0.01 0.03 -0.02 0.07 -0.02 0.03 0.03 0.03 -0.01 0.00 -0.03 0.01 -0.02 0.03 0.01 -0.01 0.07 -0.05 -0.11 -0.04 -0.07 0.06 0.01 -0.02 0.00 -0.02 -0.01 -0.00 0.02 -0.00 0.03 -0.04 0.01 -0.01 -0.03 -0.00 0.02 -0.06 0.02 -0.00 -0.06 0.02 0.02 0.04 0.01 0.01 -0.06 0.03 0.02 -0.01 0.05 -0.04 0.04 -0.02 0.12 -0.01 -0.01 0.10 -0.07 0.06 0.01 0.04 -0.02 0.06 0.08 -0.01 -0.01 -0.04 0.01 -0.03 0.06 0.01 -0.02 0.03 0.00 0.05 0.16 -0.01 -0.05 0.09 -0.15 -0.05 -0.10 -0.03 -0.13 0.02 -0.20 -0.22 -0.10 -0.03 -0.06 -0.03 -0.06 0.44 -0.11 -0.25 -0.01 0.43 0.09 -0.23 -0.32 0.09 -0.01 0.01 -0.00 0.06 -0.02 0.00 -0.03 -0.03 -0.01 0.04 -0.07 0.03 -0.03 -0.07 0.02 0.03 0.04 0.02 -0.04 0.13 -0.01 0.04 -0.01 -0.04 0.13 -0.09 0.02 0.05 -0.09 0.02 -0.06 0.00 -0.01 0.00 0.00 -0.03 0.01 0.01 -0.05 -0.02 0.07 0.05 -0.04 0.03 -0.02 -0.04 0.02 0.01 0.01 0.03 -0.03 0.02 -0.03 -0.01 0.00 0.20 0.02 0.07 0.04 0.04 -0.05 0.01 0.00 -0.02 0.02 0.10 0.07 -0.05 0.01 0.04 -0.03 0.07 -0.08 -0.05 0.05 0.05 -0.13 -0.03 -0.03 -0.15 -0.04 -0.06 -0.03 -0.01 0.01 -0.16 -0.06 0.01 -0.00 -0.04 -0.07 0.08 0.12 -0.05 0.03 0.01 -0.08 0.05 -0.05 -0.04 -0.01 0.04 -0.05 0.01 -0.00 0.03 0.04 -0.03 -0.01 -0.08 -0.03 0.03 0.06 -0.03 0.12 0.43 0.10 -0.10 0.26 -0.24 0.01 -0.01 -0.04 0.08 -0.01 0.06 0.09 0.11 0.05 0.10 0.02 0.07 -0.23 0.06 0.11 -0.01 -0.18 -0.01 0.05 0.15 -0.06 0.12 -0.04 0.01 0.08 0.00 0.09 -0.14 -0.02 0.05 0.12 -0.17 -0.05 -0.07 -0.18 -0.07 -0.15 -0.00 -0.02 0.04 0.03 -0.05 0.17 0.00 -0.01 0.00 0.00 0.06 -0.02 -0.03 0.04 0.01 0.02 -0.02 0.03 0.00 0.01 -0.04 0.01 0.02 0.03 -0.02 0.04 -0.03 -0.00 0.03 -0.10 0.08 0.10 -0.07 -0.02 0.02 -0.01 0.00 -0.01 -0.00 0.04 -0.07 -0.05 -0.04 -0.01 -0.07 -0.05 0.01 0.04 -0.01 -0.21 0.01 0.04 0.03 0.07 -0.02 -0.15 0.00 -0.02 -0.15 0.01 -0.02 0.13 -0.04 -0.02 0.09 -0.01 -0.03 -0.01 -0.03 -0.01 0.21 -0.05 -0.01 0.03 0.03 -0.01 0.03 0.06 0.03 -0.06 -0.04 -0.13 0.03 -0.30 0.18 -0.01 -0.08 0.18 0.32 -0.09 -0.03 0.01 -0.11 -0.03 -0.02 0.02 0.03 -0.10 -0.09 0.15 0.01 -0.04 0.06 -0.17 0.10 0.02 0.03 -0.05 -0.07 -0.10 -0.12 -0.03 0.03 0.03 -0.02 0.02 -0.20 -0.01 0.07 -0.05 -0.20 -0.04 0.04 0.05 -0.02 0.03 0.08 0.04 0.13 -0.02 -0.22 -0.00 -0.02 -0.23 0.02 -0.02 0.19 -0.09 -0.04 0.11 -0.02 -0.06 -0.04 0.02 0.01 -0.00 -0.02 0.32 0.07 0.06 -0.07 -0.16 0.07 0.03 -0.12 -0.06 -0.07 0.03 -0.02 0.00 0.01 0.00 -0.05 -0.00 -0.02 -0.01 0.00 -0.01 0.02 0.03 -0.02 0.03 0.02 0.01 -0.10 0.06 0.02 -0.03 0.00 -0.02 0.01 -0.01 -0.12 -0.10 0.04 0.08 0.03 0.06 -0.01 0.01 -0.02 -0.01 -0.15 -0.09 0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.02 0.01 -0.01 -0.01 0.01 -0.01 0.05 0.01 0.01 -0.02 0.02 0.02 -0.06 0.01 -0.02 -0.00 -0.02 -0.01 0.02 0.09 -0.04 0.06 -0.00 -0.03 0.05 -0.00 -0.01 0.05 0.05 0.04 -0.11 0.08 0.10 0.09 0.03 -0.01 -0.06 0.07 -0.04 0.03 0.01 -0.01 0.01 -0.02 0.07 0.35 0.27 -0.15 -0.03 -0.17 -0.32 -0.10 0.13 -0.02 -0.16 0.14 0.10 0.06 0.21 0.08 0.00 -0.05 0.16 0.15 0.01 -0.03 -0.26 -0.12 0.03 0.01 -0.01 -0.02 0.01 -0.02 0.02 -0.02 0.02 -0.03 -0.02 0.01 -0.03 0.14 0.09 -0.04 -0.00 0.01 0.18 0.02 -0.09 -0.04 0.06 0.10 -0.04 -0.00 0.08 0.05 0.06 -0.03 0.01 -0.00 -0.07 -0.01 -0.05 -0.01 -0.00 0.01 -0.07 0.03 0.04 -0.01 0.05 0.04 -0.08 -0.03 -0.12 0.05 0.00 0.00 -0.01 0.03 -0.00 -0.02 -0.19 -0.13 0.01 0.01 -0.03 0.06 -0.00 0.01 0.08 0.01 0.11 0.05 -0.02 0.02 0.07 -0.01 0.01 0.07 0.01 0.00 -0.05 0.01 -0.01 -0.03 0.02 -0.02 -0.02 0.01 -0.01 -0.10 -0.01 -0.07 0.00 -0.04 0.03 -0.11 0.02 0.03 0.05 0.05 0.09 -0.01 0.09 0.04 -0.07 0.05 0.03 -0.11 -0.01 -0.13 0.06 -0.00 -0.09 -0.03 0.01 0.02 -0.01 0.10 -0.02 -0.05 0.04 -0.00 -0.02 0.09 0.05 -0.01 -0.22 -0.04 -0.29 -0.48 -0.13 0.15 -0.03 -0.19 0.15 -0.06 0.03 0.22 0.02 -0.13 -0.05 0.13 0.14 -0.01 0.01 0.20 0.07 -0.04 0.02 0.11 -0.02 0.02 0.10 0.01 -0.01 -0.07 0.02 -0.00 -0.04 0.04 -0.09 -0.07 0.07 0.00 0.02 0.01 0.03 -0.06 0.04 -0.01 0.06 0.00 -0.04 0.05 -0.00 0.04 -0.03 -0.08 0.00 -0.04 -0.04 -0.01 -0.01 -0.09 -0.03 -0.02 -0.08 -0.02 -0.02 -0.09 -0.06 -0.03 0.03 -0.03 0.07 -0.10 0.04 -0.06 -0.06 -0.01 -0.03 0.09 -0.04 0.08 0.20 0.11 0.03 -0.05 -0.01 -0.02 0.04 0.04 0.03 -0.02 -0.02 -0.01 -0.01 0.01 -0.02 -0.01 -0.01 0.00 -0.01 0.02 -0.00 -0.02 -0.02 -0.01 0.02 0.01 0.01 -0.05 -0.01 -0.01 -0.07 -0.04 0.01 -0.12 -0.04 0.00 -0.10 0.01 -0.03 -0.07 -0.07 -0.03 -0.09 -0.07 -0.06 0.04 -0.04 0.08 -0.29 -0.03 -0.08 -0.05 0.17 -0.22 -0.05 0.02 -0.02 -0.06 -0.01 -0.07 0.02 0.04 -0.01 0.10 -0.06 0.23 0.23 -0.05 0.01 -0.01 -0.03 0.01 0.48 0.08 0.05 0.14 0.34 -0.12 0.19 0.05 0.07 0.07 0.09 0.05 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.04 0.00 -0.01 -0.02 0.01 -0.00 -0.06 -0.05 -0.05 0.04 -0.02 0.02 0.07 0.04 0.03 0.07 -0.06 0.00 0.04 -0.07 0.00 -0.05 -0.02 -0.01 -0.03 0.05 0.05 -0.08 0.09 0.10 -0.01 0.05 0.00 0.09 0.02 0.00 0.11 0.01 -0.05 -0.10 0.08 0.08 -0.09 0.04 -0.06 -0.04 0.04 -0.03 -0.02 0.02 -0.09 -0.04 -0.08 -0.01 -0.03 -0.06 0.02 0.04 -0.06 -0.00 -0.05 -0.06 0.02 0.02 -0.03 0.03 -0.05 0.02 -0.02 0.03 0.05 -0.01 -0.05 -0.03 -0.01 0.02 0.06 -0.03 -0.15 0.08 0.07 0.00 0.05 -0.01 0.11 0.02 -0.16 0.21 -0.10 0.11 0.20 -0.04 0.00 0.12 -0.02 -0.16 -0.20 0.03 0.06 -0.30 0.02 -0.06 -0.02 0.13 -0.26 0.04 0.11 -0.01 -0.13 0.07 -0.09 0.07 0.05 0.05 -0.01 -0.06 -0.13 0.00 -0.10 -0.13 0.02 0.18 -0.20 -0.08 -0.12 -0.16 -0.03 -0.15 -0.08 0.08 -0.18 0.11 0.07 -0.07 -0.00 -0.09 -0.08 0.02 0.08 -0.06 0.06 -0.11 0.06 -0.05 0.06 0.07 -0.01 -0.11 -0.01 -0.01 0.02 -0.04 0.00 -0.06 -0.02 0.01 0.03 -0.00 0.02 0.01 -0.01 0.01 0.00 0.02 -0.01 -0.01 0.01 0.01 0.11 -0.06 -0.09 -0.00 0.08 0.07 0.01 0.01 -0.01 0.02 -0.00 0.03 0.11 -0.07 -0.10 -0.07 0.02 -0.03 -0.02 0.10 0.04 -0.05 -0.01 0.03 -0.05 0.02 0.01 -0.00 -0.10 0.01 0.03 0.02 0.01 -0.04 -0.10 -0.06 0.06 -0.08 -0.00 -0.07 0.05 0.00 0.05 0.06 -0.00 -0.01 0.01 -0.01 -0.02 0.10 0.04 0.19 -0.01 -0.08 -0.02 0.08 0.11 -0.04 -0.00 0.14 -0.08 0.14 -0.09 0.06 -0.07 0.09 0.02 -0.03 -0.06 0.20 -0.02 -0.08 -0.20 0.02 -0.03 -0.02 0.09 -0.16 0.06 0.25 0.09 -0.17 0.15 -0.11 -0.07 -0.02 -0.02 -0.08 0.13 -0.05 -0.19 0.08 0.12 -0.06 -0.18 0.17 -0.16 0.07 0.13 -0.02 -0.04 0.15 -0.15 0.15 -0.12 0.04 0.03 0.01 -0.10 -0.16 -0.13 0.15 -0.12 -0.00 -0.15 0.09 -0.03 0.14 0.10 -0.03 -0.03 0.01 -0.02 0.02 0.03 -0.01 -0.02 0.00 0.01 0.03 -0.02 0.02 0.02 -0.03 0.02 -0.01 0.01 -0.01 -0.02 0.02 0.01 0.04 -0.01 -0.03 -0.01 0.05 0.03 0.05 0.01 -0.02 0.09 -0.03 -0.02 0.04 -0.01 -0.03 -0.08 0.03 -0.05 -0.04 -0.09 0.10 -0.04 0.01 -0.01 -0.03 -0.01 0.01 -0.02 0.08 -0.03 0.03 0.00 0.01 0.03 0.05 -0.02 -0.04 0.05 -0.06 0.04 -0.05 0.02 -0.05 -0.04 0.02 -0.02 -0.01 -0.01 -0.00 -0.06 0.05 0.06 0.02 -0.04 0.00 0.05 -0.00 -0.01 -0.01 0.04 0.04 0.09 -0.03 0.22 -0.14 0.08 0.08 -0.10 -0.21 0.06 0.00 -0.03 -0.25 0.01 -0.05 -0.02 0.12 -0.21 -0.19 -0.42 -0.03 0.07 -0.16 0.47 -0.02 -0.00 -0.00 -0.05 0.06 -0.07 -0.11 0.01 0.03 -0.03 -0.04 0.04 -0.11 0.00 0.03 -0.01 -0.07 0.07 -0.05 0.03 -0.03 0.05 0.02 0.01 0.09 0.10 0.00 -0.09 0.07 -0.10 0.10 -0.08 0.02 -0.13 -0.09 0.03 -0.05 -0.01 -0.02 0.21 0.02 0.06 0.11 -0.06 0.01 -0.02 0.02 -0.03 -0.00 0.04 -0.03 0.01 -0.01 0.02 0.01 -0.02 0.02 0.04 -0.04 -0.03 -0.04 0.01 0.00 0.02 0.00 0.01 0.01 0.04 0.01 0.02 -0.02 -0.08 0.08 -0.03 0.09 -0.18 -0.01 -0.06 0.01 0.01 0.02 -0.07 0.01 -0.03 -0.18 -0.02 -0.05 -0.02 -0.00 -0.02 -0.15 -0.02 0.11 -0.12 0.03 -0.06 -0.07 -0.07 -0.09 -0.12 0.06 0.04 0.02 0.02 0.01 0.05 -0.01 -0.07 0.08 -0.02 -0.01 -0.03 0.01 -0.05 0.05 0.01 0.06 0.00 0.02 -0.01 0.00 0.05 -0.00 0.02 0.07 0.01 0.05 0.00 -0.08 0.35 -0.00 0.09 -0.00 -0.12 0.34 -0.19 0.03 -0.04 -0.21 0.00 -0.08 0.06 -0.06 -0.01 0.01 0.03 0.04 0.01 0.10 0.04 0.00 -0.07 0.08 -0.14 0.04 0.03 -0.05 -0.03 0.06 -0.14 0.08 -0.11 -0.04 -0.03 -0.02 -0.14 0.05 0.27 -0.07 -0.00 -0.07 -0.13 -0.04 -0.17 -0.22 0.03 0.16 0.05 0.03 0.03 -0.05 -0.01 -0.01 -0.03 0.02 0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.01 -0.02 0.01 -0.02 0.04 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.05 -0.01 0.01 0.00 0.00 0.00 -0.02 0.04 0.19 0.09 -0.07 -0.20 0.06 -0.02 -0.19 -0.02 0.04 0.20 -0.00 -0.00 -0.00 -0.01 0.02 0.02 -0.00 0.00 0.00 0.01 -0.01 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.04 0.01 -0.00 -0.01 0.01 0.04 0.00 0.00 0.01 -0.10 0.01 -0.02 0.00 0.03 -0.10 0.06 0.05 0.01 0.03 0.02 -0.05 -0.01 0.02 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.02 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.01 0.01 0.01 0.01 0.01 -0.10 0.07 0.39 0.15 -0.12 -0.44 0.12 -0.07 -0.41 -0.04 0.11 0.42 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.02 -0.06 -0.09 -0.00 -0.00 -0.02 0.01 -0.00 -0.02 -0.01 -0.02 0.02 -0.03 0.04 -0.05 -0.05 0.05 -0.02 -0.04 0.12 0.05 -0.02 0.04 -0.07 0.01 0.00 -0.03 -0.04 -0.01 0.07 0.08 -0.02 0.07 -0.03 0.06 0.13 -0.02 -0.04 0.00 0.06 -0.01 0.02 -0.01 -0.01 0.04 -0.01 -0.03 -0.01 0.01 -0.03 -0.06 0.03 -0.03 -0.07 -0.01 0.00 -0.01 0.01 0.01 0.01 0.00 -0.00 0.01 -0.03 0.04 0.11 -0.11 0.05 -0.04 -0.08 0.13 0.07 -0.04 0.03 -0.10 -0.00 0.02 -0.06 0.16 -0.15 0.10 -0.00 -0.08 -0.23 -0.06 -0.03 0.07 0.46 -0.06 0.06 -0.04 -0.08 0.43 -0.02 -0.06 0.07 -0.09 0.05 0.26 -0.02 -0.06 -0.15 -0.02 -0.05 -0.01 -0.02 -0.09 -0.01 -0.02 0.02 -0.04 0.15 -0.03 -0.00 0.04 0.05 -0.09 0.13 -0.05 0.08 -0.00 -0.06 -0.02 0.01 -0.06 -0.14 0.07 -0.06 -0.17 -0.00 -0.01 -0.10 0.04 0.00 -0.05 0.01 0.01 0.03 0.03 0.00 0.01 -0.06 0.02 -0.06 -0.01 0.01 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.04 0.02 -0.05 0.07 0.02 -0.03 0.02 -0.03 0.02 -0.06 -0.01 -0.01 -0.07 -0.04 0.04 0.12 0.09 0.10 0.04 -0.02 -0.03 -0.01 -0.00 -0.00 -0.04 0.10 -0.11 0.08 -0.13 0.13 -0.02 -0.00 -0.02 -0.01 0.01 0.01 -0.02 0.00 0.01 -0.03 0.01 0.00 -0.02 -0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.02 0.03 -0.01 -0.04 0.06 -0.05 0.07 -0.11 -0.03 0.04 -0.14 0.04 -0.07 -0.10 -0.03 0.02 -0.08 -0.04 0.10 0.19 0.10 0.12 0.04 -0.05 -0.04 0.04 -0.03 -0.03 -0.04 0.05 0.03 -0.02 0.01 -0.05 -0.16 0.03 -0.05 -0.08 0.22 -0.34 -0.23 -0.18 -0.10 -0.02 0.21 -0.19 -0.11 -0.16 -0.06 0.12 -0.31 0.17 0.17 -0.22 0.24 -0.01 0.03 0.01 -0.02 0.01 0.03 -0.03 0.01 0.03 -0.03 0.00 0.02 -0.04 -0.00 0.02 0.01 -0.02 -0.01 0.02 0.00 -0.01 0.01 0.07 -0.02 -0.01 0.01 0.01 -0.02 0.03 0.01 0.02 0.02 -0.01 -0.01 -0.08 -0.04 0.02 -0.09 0.04 -0.06 -0.08 -0.05 0.05 -0.05 0.09 0.02 -0.00 -0.01 0.01 0.04 -0.01 0.01 -0.05 -0.03 -0.00 -0.01 0.00 0.03 0.06 -0.03 -0.03 -0.01 -0.02 -0.06 0.05 0.20 -0.01 0.04 0.00 -0.01 0.00 -0.03 -0.02 0.00 -0.03 0.00 -0.02 -0.07 -0.01 -0.02 -0.08 0.02 0.01 -0.00 -0.06 0.04 0.21 0.01 -0.15 0.09 -0.10 -0.06 -0.09 0.09 -0.04 0.11 0.07 -0.04 0.11 0.02 0.06 -0.06 0.05 0.05 -0.01 0.02 0.06 -0.02 -0.03 -0.05 -0.03 0.02 -0.03 -0.07 0.11 0.08 0.02 0.05 -0.01 -0.12 -0.05 0.10 0.12 0.04 -0.00 -0.03 0.06 0.07 -0.04 0.07 0.10 -0.04 -0.10 -0.01 -0.06 -0.01 -0.06 0.04 -0.04 -0.02 -0.01 -0.02 0.07 0.01 0.06 -0.07 -0.33 0.04 -0.05 -0.32 0.09 -0.09 -0.40 0.06 -0.10 -0.40 0.04 -0.00 -0.02 -0.02 -0.00 -0.01 0.10 -0.09 0.16 -0.00 -0.00 -0.02 0.03 -0.01 -0.03 -0.02 -0.01 0.01 -0.05 0.01 0.12 0.02 0.01 -0.07 -0.05 0.01 -0.08 -0.07 0.03 -0.10 -0.07 0.03 -0.12 0.08 0.01 0.00 -0.09 0.06 0.12 -0.00 -0.03 -0.07 -0.01 0.04 -0.02 0.04 -0.04 0.06 -0.01 0.02 0.07 0.02 -0.04 -0.02 0.02 0.01 0.00 0.02 0.01 0.00 0.03 -0.01 -0.02 0.03 -0.01 -0.02 -0.02 0.01 0.01 -0.00 0.01 0.07 0.04 0.11 -0.13 -0.03 0.00 -0.12 -0.12 0.02 0.03 -0.11 0.16 -0.15 -0.12 0.06 -0.15 -0.07 0.05 -0.04 0.14 0.03 0.02 -0.10 0.16 0.14 -0.08 0.06 0.10 0.09 -0.09 -0.12 0.05 -0.05 -0.04 0.59 -0.19 -0.02 -0.03 0.13 -0.09 -0.08 -0.03 -0.01 -0.03 0.03 -0.03 -0.03 -0.03 0.03 0.05 -0.10 0.09 0.05 -0.04 0.06 0.03 -0.07 -0.03 0.05 -0.01 -0.09 0.05 -0.01 -0.09 0.06 -0.03 -0.13 0.05 -0.03 -0.13 -0.04 0.04 0.03 0.05 0.01 0.01 -0.08 -0.04 0.05 -0.00 0.00 0.00 -0.02 -0.04 0.00 -0.02 -0.04 -0.00 0.13 0.11 0.03 -0.01 0.16 -0.01 0.18 -0.03 0.01 -0.04 0.08 -0.09 0.02 -0.02 0.04 -0.03 -0.05 -0.00 0.08 0.05 -0.06 0.07 -0.03 -0.04 -0.04 -0.11 0.04 0.01 0.02 -0.00 -0.03 0.03 0.09 -0.02 -0.03 0.01 -0.06 0.03 0.01 -0.07 0.00 0.01 -0.04 -0.01 -0.06 -0.06 -0.02 -0.06 -0.02 -0.04 -0.00 -0.07 0.01 0.09 -0.01 0.22 -0.06 0.30 -0.07 0.05 -0.10 0.06 -0.19 -0.03 0.02 -0.08 -0.10 0.06 -0.03 -0.03 -0.06 0.24 -0.09 -0.11 0.01 -0.11 0.03 -0.07 0.14 -0.02 -0.26 0.09 0.05 0.00 0.07 -0.03 -0.11 -0.12 -0.07 -0.11 -0.06 -0.02 0.06 -0.07 -0.09 0.06 -0.10 -0.18 0.07 0.12 0.02 0.06 -0.01 0.11 -0.07 0.00 0.05 -0.03 -0.03 -0.04 0.01 -0.04 -0.02 -0.14 -0.07 -0.01 -0.15 0.02 -0.06 -0.26 -0.02 -0.08 -0.26 -0.02 -0.04 0.00 0.02 0.00 0.00 -0.07 0.03 0.01 -0.02 0.00 0.01 -0.01 0.01 0.01 0.02 0.01 -0.01 0.03 -0.04 -0.03 -0.01 -0.03 -0.02 0.02 0.01 0.02 0.01 0.01 -0.01 0.01 0.01 0.02 -0.04 0.01 0.02 0.03 -0.05 -0.03 0.02 0.02 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.02 0.00 -0.01 -0.00 -0.01 -0.02 -0.02 -0.01 -0.02 0.01 0.00 -0.02 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.02 -0.06 -0.08 -0.01 -0.02 0.03 0.03 0.01 0.01 0.04 -0.01 0.03 -0.02 0.02 -0.01 0.03 0.01 -0.00 0.00 -0.02 0.02 0.02 -0.03 -0.05 -0.02 0.05 -0.07 -0.10 0.03 0.01 0.02 -0.01 0.03 0.04 0.94 -0.13 -0.12 0.01 -0.06 -0.00 0.03 -0.01 -0.01 0.03 0.04 -0.02 0.01 -0.00 -0.02 -0.01 -0.00 -0.06 0.04 -0.01 0.03 0.00 0.05 0.01 -0.03 -0.00 0.01 -0.03 -0.01 0.01 -0.03 0.02 0.03 -0.03 0.01 0.03 -0.02 -0.00 -0.01 0.02 0.00 0.00 0.02 -0.02 0.14 0.03 -0.02 -0.00 -0.03 0.05 0.01 0.03 0.02 -0.00 0.07 -0.12 0.04 -0.03 -0.12 -0.08 0.04 0.06 -0.00 -0.03 0.03 -0.10 -0.00 0.05 -0.07 -0.09 0.03 0.06 0.03 -0.09 -0.04 0.02 0.04 0.05 0.01 0.01 0.00 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.03 0.04 -0.00 -0.01 -0.00 -0.01 -0.02 -0.02 -0.01 -0.02 0.01 0.00 -0.02 -0.00 0.00 0.04 0.02 -0.00 -0.02 -0.00 -0.02 -0.17 -0.15 -0.12 -0.07 0.11 -0.03 -0.06 0.02 0.17 -0.09 0.24 -0.17 -0.04 0.01 -0.04 -0.01 0.03 -0.04 -0.02 0.06 0.07 -0.19 -0.03 -0.02 0.10 -0.09 -0.25 -0.00 -0.04 0.02 -0.02 0.04 0.15 -0.52 0.07 0.25 0.04 -0.16 -0.00 0.08 -0.02 -0.04 0.09 0.14 -0.07 0.08 -0.02 -0.05 -0.01 0.02 -0.16 0.14 -0.04 0.10 -0.08 0.09 0.01 -0.04 -0.01 0.01 -0.03 -0.01 0.01 -0.03 0.02 0.03 -0.02 0.01 0.04 0.06 0.01 -0.01 -0.01 0.02 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.01 0.02 0.00 0.00 -0.02 -0.01 -0.02 0.02 -0.01 -0.01 -0.02 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.11 0.03 -0.00 -0.00 0.00 0.29 -0.18 0.11 -0.26 -0.22 -0.01 0.27 0.22 0.02 -0.27 0.18 -0.11 0.00 -0.01 -0.00 0.00 0.12 -0.02 0.02 0.01 0.03 0.02 -0.00 -0.02 -0.01 -0.02 -0.01 0.01 -0.03 0.03 -0.01 -0.00 -0.03 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.01 -0.04 -0.17 -0.05 0.01 -0.06 0.16 -0.03 0.01 0.00 -0.00 0.02 0.00 -0.01 0.00 0.00 -0.01 -0.02 0.01 -0.01 0.00 0.01 0.00 -0.00 0.03 -0.02 0.01 -0.01 -0.01 -0.01 0.00 0.20 -0.24 0.10 -0.15 -0.27 0.03 0.16 0.27 -0.02 -0.18 0.24 -0.11 0.01 -0.01 -0.00 -0.03 -0.00 -0.01 -0.00 0.00 0.02 0.26 -0.11 -0.03 -0.18 0.06 0.01 0.13 -0.11 -0.02 -0.01 0.02 0.02 0.00 0.04 0.02 -0.04 0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.03 -0.01 -0.02 0.09 0.05 -0.03 -0.08 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.04 -0.00 -0.01 -0.22 0.08 0.04 0.03 -0.03 0.02 0.04 0.05 0.01 0.03 -0.03 0.01 0.04 0.03 -0.00 -0.02 -0.03 0.00 0.05 0.01 0.02 0.03 0.06 0.02 -0.02 -0.00 -0.01 0.01 0.01 -0.07 0.02 -0.06 0.03 0.03 -0.01 0.01 -0.01 -0.01 -0.06 0.01 -0.01 -0.02 0.02 0.03 -0.04 0.12 0.19 -0.09 -0.08 0.00 -0.01 -0.09 0.00 -0.01 0.17 -0.03 -0.04 -0.01 0.05 -0.00 -0.03 -0.00 0.01 -0.03 -0.05 0.02 -0.01 0.00 0.03 0.01 -0.00 0.05 -0.04 0.01 -0.03 -0.71 0.29 0.08 0.08 0.01 0.02 0.08 0.02 0.02 0.01 -0.02 -0.01 0.02 0.01 -0.02 -0.07 0.00 0.02 -0.05 -0.00 -0.01 -0.02 -0.02 -0.03 -0.01 -0.01 0.00 0.02 0.02 -0.00 0.01 0.03 0.00 -0.07 -0.06 -0.01 -0.02 -0.01 -0.16 0.01 -0.15 0.11 0.08 0.15 -0.12 0.16 0.03 0.19 -0.06 0.02 0.04 -0.08 -0.04 0.03 -0.11 -0.07 -0.05 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.07 -0.01 -0.03 0.01 0.01 -0.01 0.06 -0.04 0.06 0.01 0.08 0.03 0.08 -0.04 -0.00 0.04 0.06 -0.04 0.01 0.03 0.00 0.08 0.02 0.07 -0.13 0.00 -0.21 0.04 -0.14 -0.07 0.01 0.13 0.02 -0.07 0.21 -0.23 0.13 0.05 0.17 0.12 -0.04 0.22 0.01 0.03 0.06 0.01 -0.04 0.04 -0.11 0.00 0.13 -0.18 0.22 0.12 -0.09 -0.04 -0.35 -0.01 -0.02 -0.02 0.01 -0.10 -0.02 0.02 -0.03 -0.02 0.05 0.08 -0.04 0.07 -0.01 -0.03 -0.01 0.02 -0.14 0.12 -0.03 0.07 0.04 0.02 -0.01 0.15 0.01 0.05 0.10 0.04 0.03 0.07 -0.04 -0.11 0.01 0.00 -0.14 0.01 0.03 -0.00 0.07 0.01 0.02 0.02 -0.01 -0.06 0.08 -0.04 -0.02 0.02 -0.00 -0.02 0.10 -0.06 -0.01 -0.14 -0.03 -0.01 -0.02 -0.01 -0.06 -0.00 -0.11 0.02 0.05 0.06 -0.03 0.07 0.01 0.06 -0.00 0.00 0.00 -0.15 0.06 0.11 0.19 -0.02 0.05 0.00 0.02 -0.01 0.01 -0.00 0.01 0.11 0.01 0.05 -0.09 0.03 -0.00 -0.04 0.09 -0.08 -0.06 -0.13 -0.04 -0.07 0.10 0.00 -0.10 -0.08 0.04 -0.07 0.05 0.01 -0.13 -0.02 -0.09 -0.01 0.01 -0.07 -0.04 -0.09 -0.03 0.02 0.05 0.01 0.01 0.07 -0.06 0.05 0.05 0.03 0.06 -0.01 0.11 0.04 0.02 0.01 0.02 0.08 0.11 -0.20 0.18 0.28 0.23 0.10 0.10 0.26 -0.02 -0.14 -0.11 0.02 -0.00 0.01 -0.00 -0.02 0.01 0.02 -0.01 0.02 0.05 -0.02 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.02 -0.01 0.02 -0.30 0.13 0.02 -0.18 -0.01 -0.09 -0.20 -0.07 -0.08 -0.01 0.09 0.12 -0.04 -0.01 0.14 -0.22 0.14 0.04 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.11 0.04 0.01 0.22 -0.10 -0.01 0.22 -0.09 -0.03 0.05 0.01 -0.00 0.01 -0.01 0.02 0.03 0.05 -0.01 -0.02 -0.03 0.01 -0.02 -0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.05 -0.01 -0.03 0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.03 -0.07 0.05 0.00 0.01 -0.02 0.03 0.01 0.03 0.02 0.02 -0.03 -0.01 0.02 0.02 -0.02 -0.22 0.13 0.02 0.02 0.01 0.04 -0.00 -0.02 0.03 0.04 0.04 0.03 -0.02 -0.03 0.02 -0.01 -0.01 0.02 -0.04 -0.01 -0.02 -0.02 0.00 -0.01 -0.02 -0.01 0.01 -0.01 -0.06 -0.02 0.00 -0.16 -0.04 -0.06 -0.06 -0.05 -0.06 0.00 0.07 -0.12 0.02 0.02 0.00 -0.02 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.21 0.15 0.03 0.03 0.00 0.04 0.04 0.02 0.04 0.01 -0.03 -0.06 0.01 -0.00 -0.07 -0.70 0.36 0.06 -0.02 0.00 -0.00 -0.00 -0.01 0.05 -0.05 0.02 0.01 0.03 -0.02 0.01 0.01 -0.00 -0.00 0.02 -0.01 0.01 -0.01 0.07 0.00 -0.06 -0.10 -0.02 0.01 0.06 -0.03 0.01 0.01 -0.01 0.03 -0.01 -0.02 0.07 -0.04 -0.05 -0.05 -0.02 0.05 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.09 0.05 0.22 0.01 0.00 0.01 0.05 -0.06 -0.12 0.03 0.02 -0.14 -0.02 -0.00 0.15 -0.04 0.07 0.13 -0.02 0.01 0.00 0.10 -0.04 -0.19 0.01 0.08 0.00 -0.05 -0.09 -0.09 0.03 0.07 -0.16 0.04 -0.05 0.00 0.07 0.05 -0.03 -0.00 -0.02 -0.05 -0.01 -0.04 -0.02 -0.02 -0.04 -0.06 0.10 -0.10 -0.14 0.08 0.16 0.11 -0.01 -0.01 -0.17 -0.03 -0.00 0.05 -0.02 0.08 -0.00 -0.04 0.00 0.02 -0.04 -0.07 0.03 -0.00 0.00 0.03 0.02 0.00 0.06 -0.03 0.01 -0.02 0.04 -0.01 0.00 0.16 -0.09 -0.40 0.13 -0.05 -0.39 -0.08 0.04 0.26 -0.12 0.07 0.27 -0.06 0.02 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.06 0.01 0.04 -0.01 -0.01 -0.03 -0.01 -0.02 -0.04 0.00 0.02 0.05 0.00 0.04 -0.10 -0.03 0.07 0.03 -0.00 0.05 -0.10 0.02 0.03 -0.03 -0.03 -0.06 0.02 0.04 0.00 0.15 0.04 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.03 0.01 -0.03 -0.04 0.01 0.05 -0.01 -0.02 0.02 0.00 -0.03 -0.01 0.01 0.03 -0.03 -0.01 -0.03 0.04 -0.01 0.04 0.02 -0.02 -0.04 0.00 0.04 -0.01 -0.04 -0.03 -0.06 -0.09 0.14 -0.00 0.08 -0.16 -0.17 0.45 -0.04 0.37 -0.09 -0.30 0.04 -0.12 0.11 0.21 0.24 0.02 0.07 0.04 0.03 0.19 0.05 -0.01 0.17 0.08 0.01 -0.04 -0.03 -0.03 0.00 0.06 0.01 -0.00 -0.10 0.02 -0.18 0.01 0.06 -0.04 -0.03 0.07 0.11 -0.05 0.01 -0.00 -0.07 -0.04 0.01 -0.15 0.07 -0.02 0.04 -0.03 -0.07 0.01 0.06 -0.04 -0.13 0.06 -0.00 -0.12 -0.03 -0.02 -0.00 -0.04 0.01 0.00 -0.02 -0.02 0.02 0.01 0.00 -0.00 0.00 0.00 0.06 -0.06 0.12 0.00 0.01 -0.08 0.01 -0.02 -0.07 0.00 -0.02 -0.04 0.00 -0.03 -0.03 -0.03 -0.14 -0.13 0.00 0.05 0.03 -0.03 0.01 0.03 -0.03 0.01 -0.01 -0.01 0.21 0.20 -0.10 -0.05 0.00 0.11 0.00 0.02 -0.01 0.01 -0.01 0.01 0.03 -0.01 -0.05 -0.01 -0.02 0.06 0.01 0.04 -0.02 0.01 -0.04 -0.00 0.03 0.03 -0.06 0.02 -0.05 -0.04 -0.06 -0.06 -0.00 -0.05 0.01 0.07 -0.03 0.02 -0.08 -0.21 -0.09 -0.08 0.04 0.03 0.09 0.03 0.13 -0.06 0.05 0.04 -0.03 0.06 0.09 -0.13 0.05 0.03 -0.02 0.11 0.22 -0.10 0.21 0.14 -0.14 -0.05 0.20 0.21 -0.02 0.02 -0.16 -0.01 0.01 0.09 0.00 0.01 -0.01 0.01 0.03 -0.01 0.01 0.02 -0.01 0.00 -0.00 0.03 0.01 -0.00 0.03 -0.01 0.00 -0.01 0.07 -0.14 0.03 -0.10 0.10 0.31 -0.11 0.05 0.34 0.02 0.06 0.17 0.01 0.02 0.19 -0.09 -0.04 0.01 0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 0.04 -0.00 -0.00 -0.03 0.00 -0.01 -0.03 0.00 0.02 -0.01 0.00 0.02 -0.07 -0.05 -0.02 0.07 -0.00 -0.04 -0.01 0.02 -0.02 0.05 0.11 -0.02 0.01 0.01 0.05 0.08 -0.02 -0.01 -0.03 -0.11 -0.01 0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.02 -0.00 0.04 0.03 -0.00 -0.03 0.05 0.00 0.05 0.03 0.01 -0.03 0.06 -0.02 -0.02 -0.00 -0.01 -0.02 -0.06 -0.00 -0.08 -0.05 -0.03 0.09 -0.12 0.20 0.06 -0.07 -0.14 -0.26 -0.03 0.36 -0.11 0.29 -0.10 -0.21 -0.26 0.07 0.06 0.02 0.03 0.10 -0.01 0.05 0.08 -0.03 -0.04 -0.09 -0.13 -0.02 -0.04 -0.01 -0.00 -0.00 0.01 0.01 -0.09 -0.01 0.03 -0.03 -0.02 0.05 0.07 -0.03 0.02 -0.01 -0.02 -0.01 0.00 -0.07 0.05 -0.01 0.04 0.02 -0.05 0.01 0.05 -0.04 -0.28 0.07 -0.10 -0.31 0.11 -0.02 -0.20 0.12 -0.06 -0.23 -0.03 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.00 0.01 -0.04 -0.02 -0.01 -0.07 -0.02 0.05 0.01 -0.03 -0.05 0.03 0.02 -0.03 0.04 0.02 -0.01 -0.01 -0.01 -0.02 0.09 0.05 0.17 0.01 0.03 0.00 0.02 -0.00 0.01 -0.01 0.01 -0.02 0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.12 -0.00 -0.02 0.10 -0.06 -0.05 -0.15 -0.01 -0.06 0.12 -0.08 -0.01 -0.01 0.00 0.08 0.02 0.06 0.02 -0.13 0.04 -0.00 0.03 -0.06 0.23 0.12 -0.19 -0.04 -0.31 0.05 0.29 -0.02 0.11 -0.14 -0.24 -0.18 0.05 0.03 -0.01 -0.06 0.15 0.06 -0.01 0.12 0.01 0.24 0.02 0.02 0.20 0.00 -0.01 -0.03 0.01 0.04 0.01 -0.03 -0.01 0.02 0.02 -0.01 0.03 0.05 -0.01 0.02 -0.00 0.03 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.04 0.00 -0.01 -0.04 0.20 -0.02 0.13 0.18 -0.24 -0.04 0.13 -0.26 0.08 0.13 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.06 0.02 -0.02 -0.06 -0.01 0.02 0.07 0.02 -0.02 -0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.02 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.02 -0.01 0.02 -0.01 -0.01 -0.02 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.03 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.11 -0.09 -0.43 -0.12 0.10 0.45 0.13 -0.10 -0.47 -0.12 0.11 0.51 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.02 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.05 0.06 0.01 0.09 0.01 -0.03 -0.02 0.03 -0.03 -0.01 -0.03 0.03 -0.03 0.01 0.05 -0.00 0.05 0.05 -0.02 -0.03 0.03 -0.06 -0.05 -0.06 -0.02 -0.07 0.04 -0.05 0.04 -0.05 -0.03 0.02 0.11 0.02 -0.01 -0.02 0.02 0.03 -0.07 0.02 -0.03 -0.04 0.04 0.03 -0.07 0.03 -0.05 -0.03 0.01 0.01 0.00 -0.04 0.01 0.05 0.07 0.04 -0.06 0.08 0.00 -0.09 0.06 -0.01 0.04 -0.11 -0.09 -0.04 0.15 -0.05 0.12 -0.05 -0.07 -0.13 0.09 0.07 0.08 -0.06 -0.04 0.03 -0.00 -0.06 -0.04 0.07 0.02 -0.06 -0.05 -0.04 -0.15 -0.02 -0.02 -0.09 -0.01 -0.14 -0.02 -0.01 -0.20 0.01 0.02 0.05 -0.04 -0.04 0.00 -0.18 -0.05 -0.01 -0.17 0.08 -0.04 0.06 -0.15 0.09 0.01 -0.07 0.11 0.31 -0.07 0.03 0.23 -0.04 0.13 0.48 -0.04 0.06 0.36 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.02 -0.00 0.01 -0.00 -0.00 0.04 -0.02 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.02 -0.16 0.08 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 0.00 0.01 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.02 0.00 -0.00 0.01 0.01 0.01 0.01 -0.03 -0.02 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.02 0.01 -0.00 0.01 0.85 -0.44 -0.10 -0.01 0.01 0.04 -0.01 0.01 0.03 -0.01 0.01 0.06 -0.01 0.01 0.05 0.11 -0.05 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.04 -0.02 0.01 -0.09 0.00 -0.01 0.02 0.08 -0.03 -0.04 -0.06 -0.01 0.12 -0.01 0.13 -0.04 -0.07 -0.07 0.03 -0.00 -0.06 -0.00 0.04 -0.12 0.02 0.10 -0.06 0.06 -0.06 0.09 -0.02 0.02 0.09 0.01 -0.00 0.01 0.01 -0.01 -0.03 0.01 -0.02 -0.03 0.01 -0.00 -0.03 0.02 -0.02 -0.03 -0.00 -0.01 -0.00 -0.01 0.01 0.03 -0.11 0.05 -0.05 -0.10 0.14 -0.11 -0.20 -0.11 0.04 -0.08 0.04 -0.04 -0.07 -0.02 0.11 0.13 0.06 0.26 -0.14 -0.10 -0.09 0.11 -0.04 -0.07 -0.00 0.01 0.04 0.05 -0.24 -0.27 0.03 -0.01 0.19 0.01 0.01 0.05 0.02 0.14 0.05 0.04 0.28 -0.02 -0.01 -0.04 0.05 0.13 -0.02 0.28 0.05 0.05 0.13 -0.04 0.06 -0.04 -0.04 0.03 0.02 -0.03 0.01 0.10 -0.02 0.01 0.11 -0.07 0.06 0.25 -0.03 0.06 0.27 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.02 0.01 -0.07 0.01 0.00 0.00 -0.00 0.00 -0.03 -0.00 -0.00 0.00 0.08 -0.00 0.00 -0.04 -0.10 0.01 0.15 -0.01 0.03 -0.02 0.05 -0.00 -0.04 0.02 -0.09 -0.06 -0.06 -0.05 -0.03 0.03 0.11 -0.12 -0.04 0.04 -0.00 0.09 -0.05 0.04 -0.05 0.07 -0.04 0.00 0.04 -0.01 -0.01 -0.01 0.01 0.05 -0.02 0.01 -0.02 -0.00 0.05 0.06 -0.02 0.03 -0.05 0.01 0.00 0.00 0.00 -0.02 -0.01 0.00 -0.04 -0.23 0.11 0.30 -0.07 0.09 0.23 0.13 -0.11 0.09 -0.16 0.10 0.09 0.07 -0.12 -0.14 -0.15 -0.06 -0.09 -0.04 -0.09 -0.23 0.12 0.13 0.03 0.05 -0.09 -0.14 0.17 0.15 -0.26 0.01 -0.13 -0.00 0.00 -0.09 0.02 -0.01 0.04 0.08 0.26 -0.04 0.05 0.04 0.02 0.12 -0.01 0.24 0.03 0.04 0.09 -0.03 0.05 -0.03 0.01 -0.04 -0.02 0.01 0.08 0.03 -0.01 -0.01 0.02 0.09 0.05 0.13 0.05 -0.01 0.10 0.01 0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.03 -0.01 0.00 0.03 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 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 0.02 -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 -0.16 0.08 0.02 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.04 -0.01 -0.01 -0.02 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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.11 0.06 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.86 -0.44 -0.10 -0.00 0.00 0.00 0.00 -0.01 0.06 0.01 -0.03 -0.01 -0.00 0.00 0.03 0.01 0.01 -0.00 -0.01 0.12 0.00 0.01 -0.00 -0.02 -0.02 0.03 0.04 0.04 -0.08 0.03 -0.06 0.06 -0.03 -0.06 -0.05 -0.02 -0.03 -0.04 -0.10 0.05 -0.12 0.03 -0.01 0.06 -0.04 0.01 -0.03 0.05 0.02 -0.01 -0.02 0.00 0.01 -0.00 -0.00 0.02 0.00 -0.01 0.03 -0.01 0.00 -0.01 0.00 -0.03 0.02 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.14 -0.12 0.20 -0.03 -0.03 0.05 -0.08 0.29 -0.03 0.13 -0.05 0.10 -0.10 0.12 0.00 0.08 -0.30 -0.08 -0.07 -0.01 0.27 -0.18 -0.14 -0.12 -0.08 0.16 0.17 0.25 0.19 -0.01 -0.05 -0.38 -0.00 -0.04 -0.09 0.01 -0.03 0.06 0.06 0.22 -0.03 0.04 0.01 0.03 0.12 -0.02 0.14 -0.02 0.05 -0.06 0.05 0.02 0.03 0.03 0.03 0.00 0.01 0.03 0.01 -0.02 0.04 -0.01 0.02 -0.02 -0.00 -0.06 -0.02 -0.07 -0.04 -0.00 -0.03 -0.00 0.00 0.00 -0.01 0.00 -0.09 -0.01 -0.01 0.02 0.00 0.01 -0.06 0.00 -0.00 0.01 0.07 0.01 0.06 -0.01 0.07 -0.02 -0.10 -0.00 -0.04 -0.00 -0.09 0.02 0.03 0.04 0.04 -0.02 -0.01 -0.02 0.06 -0.04 0.15 0.03 -0.02 0.04 0.01 0.01 -0.02 0.01 -0.01 0.03 0.02 -0.01 -0.04 -0.01 -0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.02 0.02 0.01 -0.01 0.02 0.01 0.01 -0.00 -0.01 -0.07 0.16 -0.11 -0.16 0.04 -0.19 -0.13 -0.13 0.15 -0.08 0.09 -0.06 0.07 -0.05 0.12 0.12 0.15 -0.17 -0.09 -0.08 0.00 -0.49 0.07 0.19 0.24 -0.07 -0.39 0.07 0.09 0.08 0.04 -0.00 -0.11 -0.04 0.00 -0.13 -0.00 0.08 0.03 -0.02 0.09 0.02 -0.04 -0.10 0.05 0.06 -0.01 0.06 -0.00 0.02 -0.02 0.04 0.01 0.03 -0.04 -0.01 -0.03 -0.01 -0.00 0.02 -0.01 0.02 0.02 0.01 -0.03 -0.10 -0.00 -0.02 -0.13 0.10 0.01 0.04 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 -0.01 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.01 -0.01 0.03 -0.03 -0.00 0.01 -0.01 -0.01 0.02 -0.00 -0.00 -0.03 -0.07 -0.01 0.06 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.00 -0.01 0.03 0.05 0.02 -0.01 0.02 -0.04 0.05 0.01 0.04 -0.04 -0.01 -0.02 0.02 0.10 -0.24 0.22 0.03 0.01 -0.00 -0.01 -0.01 0.02 -0.03 -0.03 -0.02 0.01 0.01 0.05 -0.00 -0.00 0.01 -0.00 0.02 0.20 0.03 0.42 0.04 -0.04 -0.39 0.22 -0.10 -0.05 -0.36 0.03 -0.18 -0.10 0.24 -0.22 0.36 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.02 0.00 0.00 0.00 0.01 0.05 0.02 0.07 0.03 -0.04 -0.09 -0.06 0.03 0.12 0.09 0.03 -0.10 -0.07 -0.00 -0.06 -0.06 0.00 0.03 -0.03 0.02 0.03 0.07 -0.06 -0.02 0.06 -0.02 -0.03 -0.04 0.03 0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.02 0.03 -0.01 -0.01 0.05 -0.01 -0.02 -0.02 0.02 -0.01 -0.05 0.00 0.00 0.00 -0.00 0.01 0.01 0.16 0.11 -0.06 -0.07 -0.10 0.28 0.22 0.12 0.09 0.09 0.06 0.00 -0.04 -0.02 -0.04 -0.10 -0.07 -0.02 0.01 -0.02 0.01 -0.10 -0.03 0.02 0.07 -0.05 -0.11 -0.10 -0.22 -0.17 0.20 -0.01 0.23 -0.03 -0.02 -0.08 0.01 -0.09 0.01 0.07 0.13 -0.04 0.06 0.12 -0.02 0.20 -0.03 0.17 -0.09 0.11 -0.24 0.11 0.06 0.02 -0.00 0.00 -0.01 0.02 -0.08 -0.16 0.08 -0.08 -0.27 -0.10 0.04 0.13 -0.04 0.08 0.29 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 -0.01 0.04 0.01 -0.06 -0.01 -0.03 -0.03 -0.00 0.01 0.05 0.01 -0.02 0.00 -0.03 -0.03 -0.00 -0.01 -0.00 -0.01 -0.02 0.05 -0.00 -0.01 0.03 0.00 -0.03 -0.02 0.02 -0.01 0.01 0.03 -0.00 0.00 -0.00 0.02 -0.02 -0.06 0.02 -0.03 -0.08 -0.02 0.01 0.06 -0.01 0.01 0.08 0.00 0.00 0.00 0.00 0.00 -0.02 0.12 0.04 -0.04 -0.01 -0.04 0.05 0.08 0.04 -0.05 -0.01 -0.12 0.06 0.03 0.10 -0.09 -0.01 -0.03 0.07 0.06 0.01 0.01 0.02 -0.03 -0.01 -0.02 -0.01 0.01 -0.02 -0.09 -0.07 0.05 0.02 0.11 -0.02 -0.02 -0.04 0.00 -0.04 -0.02 0.02 0.01 -0.02 0.03 0.09 -0.03 0.15 -0.02 0.11 -0.07 0.08 -0.20 0.10 0.04 0.03 0.01 0.00 -0.00 -0.10 0.07 0.36 -0.11 0.09 0.47 0.07 -0.07 -0.35 0.13 -0.09 -0.43 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.02 0.07 -0.04 0.03 0.03 0.08 0.06 -0.07 -0.07 -0.04 0.03 -0.02 0.05 -0.04 0.02 -0.01 0.01 0.02 -0.02 -0.06 -0.08 -0.05 -0.01 0.09 0.02 0.02 -0.00 0.01 0.03 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.04 -0.01 -0.00 0.02 -0.01 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.04 -0.01 0.01 0.07 0.03 0.05 0.08 0.06 0.18 -0.10 -0.09 -0.17 0.13 -0.08 -0.07 -0.02 -0.14 0.11 -0.14 -0.04 0.00 0.01 0.04 -0.01 -0.05 0.05 -0.06 -0.08 0.05 -0.03 -0.03 0.00 0.01 -0.00 0.00 -0.42 0.14 0.16 0.18 -0.06 0.13 0.03 0.04 -0.23 0.03 -0.07 0.17 -0.14 0.45 -0.18 -0.06 -0.04 -0.00 -0.00 -0.00 -0.04 0.03 0.13 -0.05 0.05 0.21 0.02 -0.02 -0.09 0.03 -0.03 -0.16 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 -0.02 -0.16 -0.10 -0.19 -0.03 0.20 0.33 0.25 0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.02 -0.02 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.09 -0.20 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.08 -0.20 0.19 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.02 0.01 0.00 0.01 0.01 -0.02 -0.00 0.01 -0.01 0.03 0.15 0.01 0.00 -0.03 -0.02 -0.01 -0.01 -0.01 0.01 0.00 0.02 -0.04 0.01 -0.03 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 0.02 -0.01 0.00 -0.01 -0.25 -0.39 -0.33 0.00 -0.00 -0.02 -0.00 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.20 -0.44 -0.06 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 -0.02 0.01 -0.01 -0.02 0.04 -0.00 0.03 0.02 0.04 0.03 -0.04 -0.05 -0.02 0.01 0.02 -0.04 0.04 0.01 0.00 0.00 0.01 -0.02 -0.03 0.05 0.03 -0.02 -0.04 0.00 -0.03 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.02 0.02 0.07 0.02 -0.01 -0.08 0.02 -0.02 -0.07 -0.02 0.02 0.07 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.04 0.04 0.01 0.02 0.03 0.02 0.03 0.05 0.05 0.11 -0.04 -0.06 -0.11 0.08 -0.06 -0.05 -0.01 -0.02 -0.14 0.10 -0.02 0.03 0.01 0.02 0.00 -0.01 0.03 -0.02 -0.03 -0.00 -0.02 -0.03 0.01 0.01 0.03 -0.00 0.27 -0.04 -0.09 -0.00 0.04 -0.08 -0.09 0.02 0.03 -0.00 -0.02 -0.06 0.03 -0.14 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.10 -0.09 -0.43 -0.11 0.10 0.44 -0.09 0.09 0.39 0.08 -0.08 -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.01 -0.02 -0.03 0.07 0.01 0.04 0.03 0.06 0.04 -0.06 -0.06 -0.02 0.02 0.03 -0.04 0.06 0.01 0.01 0.00 0.01 -0.04 -0.05 0.07 0.04 -0.02 -0.05 0.01 -0.05 -0.01 0.00 0.03 0.00 0.00 0.00 0.02 -0.01 -0.09 -0.01 0.01 0.02 -0.01 0.02 0.07 0.00 -0.00 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.11 -0.07 0.06 0.01 0.04 0.02 0.01 0.02 0.09 0.06 0.17 -0.08 -0.08 -0.17 0.14 -0.09 -0.08 -0.03 -0.05 -0.20 0.14 -0.02 0.05 0.02 0.02 0.00 -0.01 0.06 0.00 -0.04 -0.02 -0.03 -0.07 0.01 0.02 0.04 -0.00 0.41 -0.06 -0.14 -0.01 0.06 -0.13 -0.15 0.04 0.02 0.00 -0.05 -0.07 0.04 -0.15 0.01 0.01 -0.03 -0.01 -0.01 -0.00 -0.11 0.12 0.47 0.03 -0.02 -0.14 0.11 -0.09 -0.37 -0.05 0.03 0.15 -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 -0.01 0.00 0.00 0.00 -0.00 -0.05 -0.02 0.13 0.02 0.08 -0.03 0.06 -0.05 -0.04 0.04 -0.06 0.04 -0.06 0.02 -0.03 -0.05 -0.01 0.00 0.01 0.00 -0.01 -0.05 0.05 -0.05 0.04 -0.01 -0.05 -0.01 0.03 0.01 -0.02 -0.02 0.00 0.00 0.01 -0.01 0.03 0.00 -0.00 0.01 0.01 0.01 0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.38 -0.07 0.26 -0.12 0.12 -0.23 -0.26 -0.02 -0.31 0.04 -0.02 0.00 -0.23 -0.14 0.06 0.05 0.02 0.17 0.12 -0.01 0.04 -0.00 0.05 0.01 0.00 0.02 0.01 0.15 0.11 0.09 -0.11 0.00 -0.16 0.02 0.02 0.10 0.01 -0.24 0.07 0.12 0.16 -0.06 0.11 0.13 -0.01 0.13 -0.03 0.03 -0.09 0.05 -0.24 0.14 0.00 0.10 -0.01 -0.00 0.00 0.01 0.03 -0.03 0.02 -0.01 -0.06 0.05 -0.02 0.02 -0.04 -0.00 0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.04 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.00 -0.02 0.01 0.01 0.02 0.08 -0.25 0.08 0.06 0.27 -0.04 0.02 0.19 -0.04 0.03 -0.18 0.05 -0.01 -0.01 0.00 -0.16 -0.02 -0.04 0.01 -0.01 0.02 -0.01 0.01 -0.04 -0.02 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 0.02 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.03 -0.01 -0.01 -0.00 0.01 0.04 0.02 0.02 0.05 -0.01 -0.03 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.02 0.02 0.03 -0.16 -0.42 0.05 -0.18 0.38 -0.15 -0.22 0.30 -0.13 -0.21 -0.35 0.03 0.01 0.02 0.04 0.00 -0.00 0.00 -0.01 -0.00 -0.05 -0.03 -0.05 -0.09 0.05 0.02 0.46 -0.01 0.00 -0.11 0.05 -0.04 0.04 0.03 0.02 0.02 -0.01 -0.03 -0.01 -0.00 -0.01 -0.02 -0.01 0.02 0.01 -0.01 -0.00 -0.00 0.01 0.05 0.02 -0.00 0.02 0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.08 -0.11 -0.23 0.01 -0.03 0.01 0.01 0.02 -0.00 -0.00 0.02 -0.00 0.01 -0.02 0.01 0.07 0.12 -0.01 -0.02 0.00 -0.00 0.02 0.06 -0.01 -0.04 -0.01 -0.05 -0.01 -0.01 0.01 -0.06 0.03 -0.07 0.05 0.01 0.02 -0.01 -0.00 -0.07 -0.04 -0.01 -0.01 0.02 0.36 0.09 0.01 -0.03 0.00 -0.06 -0.01 0.00 0.05 0.01 0.04 0.03 0.02 0.04 0.00 -0.02 0.02 0.01 0.03 -0.00 0.01 -0.01 0.01 0.03 -0.00 0.03 -0.01 0.02 -0.02 0.01 0.01 -0.01 -0.18 -0.28 -0.30 -0.01 -0.05 -0.00 -0.02 0.03 -0.01 -0.05 0.04 -0.02 -0.00 -0.03 0.01 -0.17 -0.22 -0.42 0.00 0.00 0.00 -0.00 0.02 -0.11 -0.02 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.16 0.06 0.21 -0.03 -0.11 0.07 0.01 -0.01 0.16 -0.12 -0.00 -0.06 0.08 0.10 -0.09 0.05 -0.07 0.01 0.11 -0.07 -0.04 0.04 -0.02 -0.08 -0.03 0.05 0.02 -0.03 0.04 -0.02 0.01 0.02 0.03 0.00 0.00 0.00 0.01 -0.02 -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 0.00 -0.00 0.29 0.20 -0.01 0.15 -0.08 0.28 -0.05 0.02 -0.16 -0.03 -0.09 0.02 0.05 0.12 -0.10 0.09 0.14 -0.06 0.35 0.01 0.10 -0.06 -0.07 -0.04 0.15 -0.09 -0.16 -0.09 -0.05 -0.06 0.19 -0.07 -0.02 0.02 0.02 -0.10 0.02 -0.16 -0.01 0.09 0.00 -0.05 0.11 0.23 -0.06 -0.06 -0.00 -0.20 -0.01 -0.08 -0.09 0.07 -0.06 0.09 0.00 0.02 0.00 -0.02 -0.02 0.05 -0.02 0.02 0.05 -0.04 -0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.02 -0.02 -0.00 -0.00 0.00 -0.01 0.01 -0.02 0.02 -0.01 -0.01 -0.01 0.00 -0.03 -0.00 -0.00 0.01 0.08 0.01 0.02 0.12 0.00 0.15 0.02 -0.13 -0.05 -0.05 -0.07 -0.13 -0.00 0.10 0.02 -0.02 -0.04 0.06 -0.08 0.02 -0.03 -0.03 0.10 0.03 -0.01 0.03 -0.03 -0.01 -0.01 -0.04 -0.01 0.04 -0.01 0.01 0.02 0.04 0.00 -0.03 0.01 -0.01 -0.04 0.01 -0.02 -0.02 -0.00 0.02 -0.01 0.01 -0.01 -0.02 -0.00 0.01 0.02 -0.00 0.01 0.09 0.03 -0.02 -0.10 -0.17 -0.05 -0.07 0.10 -0.29 0.06 -0.32 0.27 0.11 0.05 -0.08 -0.09 -0.19 -0.20 -0.15 0.06 0.16 0.03 -0.03 -0.15 -0.10 0.15 -0.34 -0.05 0.02 0.24 0.02 0.16 0.03 0.01 0.01 0.01 -0.04 0.09 0.04 0.18 -0.01 0.03 -0.02 0.05 -0.04 0.01 0.01 -0.01 0.01 0.04 -0.09 0.02 -0.09 0.06 0.08 0.06 0.04 -0.01 -0.01 -0.02 -0.04 0.01 -0.11 0.02 -0.02 0.13 0.06 0.02 0.01 0.02 0.04 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.12 -0.10 -0.05 0.03 0.06 -0.01 -0.06 -0.01 0.18 -0.04 -0.01 -0.00 0.01 0.07 -0.06 -0.03 0.07 -0.06 -0.05 0.03 0.00 0.04 -0.04 -0.10 0.01 -0.04 0.00 -0.01 -0.03 0.05 -0.01 0.02 0.03 0.01 0.01 0.03 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.07 -0.20 0.20 -0.06 -0.03 0.31 -0.22 -0.07 -0.17 0.12 0.03 0.10 -0.05 -0.09 0.06 0.23 0.42 -0.33 -0.06 0.09 -0.10 0.07 0.15 0.03 -0.09 0.02 0.12 -0.13 -0.06 -0.07 0.17 -0.08 -0.04 0.01 0.02 0.13 -0.01 0.04 -0.01 -0.05 -0.07 0.03 -0.06 -0.10 0.01 0.14 -0.02 0.13 -0.04 0.06 -0.10 0.09 0.03 0.05 0.03 0.03 0.04 -0.01 -0.00 0.04 -0.01 -0.00 0.06 -0.03 0.01 -0.01 0.02 0.00 0.00 0.00 0.01 0.02 0.00 0.00 0.00 0.01 -0.01 0.09 0.01 -0.02 0.04 0.00 0.01 0.01 0.00 0.01 -0.02 0.09 0.20 -0.14 -0.03 -0.13 0.02 -0.13 -0.03 0.01 -0.07 0.04 -0.04 0.09 -0.02 0.04 0.01 -0.05 0.07 -0.01 0.01 0.05 0.01 0.01 -0.01 0.01 0.04 -0.02 0.01 0.02 -0.06 0.01 0.01 -0.01 -0.02 -0.03 -0.06 0.01 -0.01 0.01 0.01 0.00 0.01 -0.01 -0.02 0.00 -0.00 0.01 -0.00 0.01 0.02 0.01 -0.04 0.00 -0.01 -0.09 -0.43 0.21 0.07 -0.12 0.17 -0.11 0.03 -0.20 0.04 -0.09 0.05 -0.08 0.01 -0.00 0.23 0.25 0.01 0.00 -0.12 0.11 -0.07 -0.20 -0.01 0.04 0.04 -0.08 0.05 -0.05 -0.05 0.12 -0.02 -0.02 -0.09 -0.08 -0.38 0.01 0.06 0.01 0.01 0.08 -0.00 0.01 0.01 0.01 -0.14 0.03 -0.09 0.04 -0.04 0.12 -0.12 -0.03 -0.08 -0.05 -0.08 -0.08 0.04 -0.00 -0.01 0.03 -0.01 -0.01 0.01 -0.03 0.01 0.05 0.06 0.00 0.01 0.02 0.01 -0.04 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.03 -0.01 -0.01 -0.02 0.00 -0.02 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 0.00 -0.01 0.01 0.00 0.00 0.01 0.03 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.09 0.04 -0.03 -0.09 -0.06 -0.01 0.02 0.13 -0.02 0.04 -0.12 0.03 0.00 0.00 0.00 0.34 0.03 0.08 -0.01 -0.04 0.02 -0.01 -0.02 0.05 -0.01 0.00 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.03 0.04 -0.01 0.01 -0.02 0.02 -0.01 -0.03 -0.00 0.01 0.01 -0.01 0.05 -0.02 -0.01 0.02 0.00 0.00 -0.01 -0.01 -0.05 0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.02 0.00 -0.02 0.01 -0.01 0.02 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.34 -0.11 -0.06 -0.35 0.05 -0.10 -0.36 0.33 -0.17 -0.33 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 -0.05 0.02 -0.01 -0.06 0.00 0.01 0.02 -0.01 -0.02 0.01 0.11 0.02 0.13 0.01 -0.04 -0.01 -0.09 0.00 -0.02 -0.02 0.05 -0.00 0.04 -0.04 0.00 -0.02 0.01 0.01 -0.05 -0.00 -0.04 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.02 -0.05 -0.01 0.02 0.04 0.06 -0.04 0.03 -0.01 0.04 0.04 0.01 0.04 0.02 0.00 -0.05 0.02 -0.02 -0.01 -0.02 -0.01 0.00 -0.03 0.01 -0.09 -0.01 -0.08 -0.17 0.01 0.13 0.14 0.10 -0.04 -0.09 -0.11 -0.04 -0.01 0.15 -0.16 0.04 -0.00 0.13 -0.10 -0.03 0.01 0.17 0.26 0.02 -0.10 -0.32 0.08 0.26 -0.05 -0.07 -0.16 0.03 0.02 -0.04 -0.00 -0.14 0.00 0.07 -0.00 -0.03 -0.00 0.02 -0.03 -0.05 0.01 -0.02 0.01 0.02 0.02 -0.00 0.07 -0.05 0.02 -0.05 0.11 0.17 0.10 -0.23 -0.11 -0.05 0.22 -0.04 0.04 0.27 -0.08 0.08 -0.29 -0.13 -0.04 -0.03 -0.05 -0.04 0.00 0.00 -0.00 0.01 -0.01 0.03 -0.01 0.01 0.04 -0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.07 -0.04 -0.09 0.06 0.05 0.01 0.03 -0.02 0.04 -0.01 -0.04 -0.00 -0.00 0.04 -0.01 0.00 -0.02 0.05 0.03 0.01 0.03 0.00 0.01 -0.03 -0.02 0.01 -0.02 0.00 -0.01 -0.03 -0.00 -0.05 0.02 -0.02 -0.02 -0.04 -0.06 0.02 -0.02 0.06 0.03 0.00 0.05 0.03 0.01 -0.06 0.02 -0.02 0.01 0.01 0.01 -0.00 -0.04 0.01 -0.01 0.06 -0.03 0.02 -0.05 0.24 -0.04 -0.05 0.03 -0.16 -0.02 -0.11 0.14 0.12 -0.06 -0.01 0.01 -0.07 -0.08 -0.07 0.05 -0.11 -0.16 -0.01 0.06 0.23 -0.04 0.04 -0.05 -0.07 -0.12 0.03 0.10 0.03 0.01 0.16 0.00 -0.06 0.07 0.03 0.11 -0.01 0.03 -0.02 0.04 -0.03 0.01 0.02 -0.00 0.02 0.02 -0.06 0.01 -0.07 -0.08 -0.13 -0.07 -0.31 -0.14 -0.04 0.33 -0.09 0.11 0.36 -0.11 0.12 -0.34 -0.17 -0.05 0.02 0.04 0.03 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.02 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 -0.07 -0.02 0.05 0.07 -0.08 -0.01 0.04 0.04 -0.02 0.00 0.07 0.01 -0.02 -0.03 0.01 -0.07 0.14 -0.00 0.00 0.01 0.01 -0.05 -0.01 -0.04 0.05 -0.04 0.03 -0.00 -0.09 -0.01 -0.01 -0.00 0.01 0.01 0.03 0.04 0.01 0.01 -0.04 0.00 -0.01 -0.03 -0.01 -0.01 0.04 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.12 0.11 -0.18 -0.07 0.03 0.20 0.01 0.02 -0.08 -0.13 -0.14 0.00 0.02 0.12 -0.14 0.07 0.10 0.00 -0.07 -0.22 0.22 -0.01 0.14 0.04 -0.00 -0.05 -0.00 0.19 0.00 -0.03 -0.17 -0.00 -0.04 0.01 0.02 0.14 0.00 -0.11 0.12 0.08 0.24 -0.04 0.09 0.03 0.05 -0.16 0.04 -0.01 0.05 0.00 0.17 -0.23 0.02 -0.22 0.00 -0.01 0.03 0.24 0.14 0.03 -0.23 0.09 -0.08 -0.18 0.06 -0.06 0.21 0.11 0.03 -0.02 -0.03 -0.04 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.02 0.02 0.00 0.00 -0.01 0.01 0.01 0.01 -0.08 0.02 0.02 0.12 -0.05 0.05 -0.04 0.02 0.01 -0.03 0.01 -0.03 0.04 -0.01 -0.02 -0.07 0.13 -0.01 0.04 -0.02 -0.00 0.00 -0.03 0.01 0.05 -0.06 -0.03 -0.00 -0.04 0.03 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 0.02 0.00 0.01 -0.03 0.00 -0.00 -0.02 -0.01 -0.00 0.02 -0.00 0.01 0.00 0.01 -0.03 0.00 0.00 -0.00 -0.00 -0.05 0.00 0.07 -0.05 0.21 0.14 0.07 0.01 -0.28 -0.13 -0.19 0.05 0.19 -0.18 -0.02 -0.09 0.16 -0.33 0.13 -0.14 -0.04 -0.17 -0.04 0.05 0.15 -0.03 0.20 -0.02 -0.03 -0.08 -0.00 -0.04 0.01 0.01 0.01 0.00 0.19 0.03 -0.13 -0.01 0.07 -0.14 -0.29 0.08 0.09 -0.01 0.17 -0.04 0.10 -0.03 0.02 0.06 -0.03 -0.10 -0.17 -0.04 0.13 0.07 0.01 -0.16 0.06 -0.06 -0.12 0.04 -0.04 0.11 0.06 0.01 -0.02 -0.03 -0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.05 -0.01 -0.01 -0.03 0.02 -0.02 -0.03 -0.09 -0.02 -0.00 -0.00 0.02 -0.01 0.01 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.02 0.00 0.03 0.03 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 0.04 -0.12 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.02 0.19 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.01 0.07 0.03 0.01 0.01 -0.06 -0.03 -0.04 0.02 0.05 -0.04 -0.01 -0.02 0.03 -0.03 0.02 -0.01 0.02 0.08 -0.00 0.03 0.06 -0.01 0.07 -0.01 -0.02 -0.05 0.00 0.00 -0.01 0.01 0.02 0.00 0.02 0.02 -0.01 0.02 0.01 -0.01 -0.05 0.02 0.02 -0.00 0.03 -0.01 0.02 -0.01 -0.00 0.01 -0.01 0.30 0.58 -0.01 0.04 0.02 0.01 -0.05 0.02 -0.02 -0.03 0.01 -0.01 0.04 0.02 0.00 0.20 0.28 0.57 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.05 -0.02 -0.04 -0.03 0.03 0.06 -0.02 -0.03 -0.00 0.02 -0.02 -0.04 -0.00 0.02 0.02 -0.01 -0.09 -0.10 -0.02 0.01 0.01 0.01 -0.01 -0.00 0.01 0.03 0.07 -0.01 0.06 0.04 -0.01 -0.05 -0.00 -0.00 -0.01 -0.00 0.02 0.02 0.00 -0.03 0.03 -0.01 -0.01 0.01 -0.00 0.03 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.02 0.00 0.01 0.07 0.04 -0.10 -0.05 0.32 0.06 -0.02 0.12 -0.11 0.05 -0.14 0.16 0.18 -0.08 -0.03 -0.04 -0.02 -0.00 -0.07 -0.11 0.01 -0.02 0.00 -0.02 0.00 0.02 0.37 -0.08 -0.12 -0.36 0.07 0.11 -0.01 0.01 0.07 -0.00 0.01 -0.15 0.01 -0.21 -0.01 0.00 0.24 -0.12 -0.03 -0.01 -0.21 0.03 -0.16 -0.03 0.12 -0.13 0.23 -0.03 -0.06 -0.01 0.11 0.08 -0.00 -0.17 0.09 -0.07 0.01 0.00 -0.00 0.11 0.07 0.01 0.01 0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 0.00 0.01 0.02 0.01 -0.01 -0.09 -0.00 0.05 -0.00 -0.03 -0.00 0.01 -0.02 -0.04 -0.00 0.03 0.02 0.14 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.06 -0.04 -0.05 -0.06 -0.08 -0.01 0.01 -0.03 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.02 0.02 -0.01 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.21 -0.03 0.02 -0.08 -0.02 0.13 -0.03 -0.03 0.08 0.09 0.10 0.02 0.11 0.08 -0.00 -0.06 -0.08 -0.00 0.40 0.18 0.07 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.20 -0.06 -0.08 -0.26 0.05 0.09 -0.02 -0.00 -0.05 -0.01 -0.23 0.16 0.11 0.23 -0.05 0.11 -0.13 0.12 0.22 -0.04 0.22 -0.13 0.19 -0.22 0.06 0.18 -0.15 0.01 0.02 0.01 0.02 0.02 -0.01 -0.13 0.07 -0.05 0.02 -0.01 0.01 0.06 0.04 0.00 -0.02 -0.03 -0.05 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.05 0.03 0.01 0.05 -0.02 0.02 -0.05 0.02 -0.02 -0.04 -0.02 -0.01 0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.02 0.01 -0.00 -0.01 -0.00 0.02 0.02 0.00 0.02 -0.01 0.00 -0.02 0.02 0.03 -0.02 -0.00 -0.01 0.01 0.03 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 0.04 0.00 -0.01 -0.04 0.01 0.03 -0.00 0.00 0.01 -0.00 -0.02 0.00 0.01 0.00 -0.01 0.01 0.01 0.00 0.02 -0.00 0.00 -0.01 0.00 -0.02 0.01 0.01 0.00 -0.01 -0.02 -0.00 0.44 0.29 0.04 0.41 -0.19 0.14 -0.43 0.20 -0.15 -0.39 -0.27 -0.04 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.02 -0.00 0.03 -0.02 -0.02 -0.09 0.02 0.04 0.02 -0.01 -0.04 0.07 -0.10 0.02 -0.06 0.02 0.00 -0.00 0.03 -0.01 -0.05 0.03 -0.01 -0.00 -0.02 0.02 0.04 -0.02 0.01 -0.00 0.04 -0.02 0.03 -0.00 0.02 0.01 0.01 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 0.02 0.03 0.03 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.02 -0.03 -0.02 -0.00 -0.00 0.00 0.06 -0.14 0.12 0.28 -0.14 0.21 -0.22 -0.09 -0.11 -0.01 0.03 -0.04 0.08 -0.00 0.07 0.03 0.07 -0.14 -0.06 0.02 -0.03 -0.13 0.30 0.11 0.07 -0.14 -0.11 0.09 -0.03 -0.04 -0.05 0.03 0.05 -0.03 -0.02 -0.08 0.00 0.03 -0.01 -0.03 -0.02 0.01 -0.03 -0.02 -0.01 -0.02 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 0.01 0.25 0.45 0.13 0.05 0.04 0.00 0.03 -0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.17 -0.27 -0.29 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 -0.03 0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.13 -0.02 -0.04 0.00 0.01 0.00 0.00 0.01 0.00 0.31 0.03 0.09 0.00 0.00 0.01 0.05 0.00 0.01 0.05 0.01 0.01 -0.07 -0.08 -0.00 -0.08 0.06 -0.03 0.00 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.07 0.03 0.08 -0.05 0.05 -0.10 -0.03 -0.07 -0.01 -0.00 -0.01 0.01 -0.02 0.04 0.04 0.07 -0.08 -0.03 -0.02 -0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 -0.31 -0.00 0.00 -0.47 0.05 0.04 0.01 0.00 0.03 0.00 0.00 -0.01 -0.00 -0.02 0.00 -0.01 0.02 -0.01 -0.01 0.00 -0.02 0.01 -0.02 0.01 -0.00 -0.02 0.02 -0.02 -0.03 0.00 -0.24 -0.21 -0.01 -0.38 0.22 -0.14 -0.30 0.02 -0.08 -0.25 -0.05 -0.05 0.02 0.03 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 -0.05 -0.11 0.09 0.04 0.09 -0.05 0.01 -0.01 0.08 0.04 -0.02 -0.01 0.00 0.02 0.01 -0.02 0.01 0.07 -0.02 -0.01 -0.00 0.03 -0.01 -0.04 0.00 -0.02 -0.00 0.02 0.09 -0.00 -0.00 -0.03 -0.03 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.03 0.01 0.01 -0.03 -0.03 -0.10 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.02 -0.02 0.00 0.00 -0.00 -0.02 0.06 -0.04 -0.28 0.14 -0.16 0.22 0.07 0.13 -0.04 -0.03 -0.01 -0.06 0.02 -0.08 -0.07 -0.12 0.16 -0.02 -0.03 -0.00 0.04 -0.16 -0.06 0.01 0.19 0.05 -0.13 0.03 0.04 0.00 -0.03 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.03 -0.01 -0.01 0.00 -0.02 0.00 -0.02 -0.00 0.00 -0.02 0.02 0.23 0.44 0.01 -0.04 -0.03 0.00 -0.03 0.02 -0.00 -0.04 0.00 -0.01 -0.02 -0.00 -0.00 -0.22 -0.33 -0.40 0.00 -0.00 0.00 -0.01 -0.00 -0.04 -0.02 -0.05 0.11 0.01 0.03 -0.04 0.01 0.02 0.01 0.03 -0.03 0.13 -0.00 -0.04 -0.03 0.02 -0.04 -0.10 0.02 0.05 0.02 -0.05 -0.01 0.05 -0.04 0.01 0.02 -0.00 0.06 -0.05 -0.01 0.04 0.03 0.02 -0.00 -0.01 0.01 -0.00 -0.01 -0.02 -0.03 -0.01 -0.03 -0.04 -0.06 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.06 0.06 -0.08 0.29 -0.17 0.13 -0.28 -0.04 -0.25 0.07 -0.01 0.06 -0.02 -0.13 0.16 0.21 0.36 -0.33 0.05 0.03 0.04 0.13 -0.23 -0.12 -0.05 0.16 0.11 0.20 -0.06 -0.06 -0.13 0.06 0.11 0.03 0.04 0.22 0.01 0.05 0.01 -0.04 0.02 0.02 -0.03 -0.05 0.01 -0.02 0.01 0.03 0.03 -0.02 0.07 -0.04 -0.00 -0.04 -0.01 -0.00 -0.06 0.06 0.05 -0.00 -0.01 0.01 -0.02 0.04 -0.00 0.01 0.01 -0.00 0.00 -0.02 -0.02 -0.04 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.03 0.03 0.04 -0.01 -0.06 0.01 -0.05 0.05 0.01 -0.04 -0.02 -0.02 0.07 -0.01 -0.07 0.01 0.03 0.00 0.00 -0.01 0.01 0.01 -0.02 0.03 -0.01 -0.01 0.03 -0.00 -0.02 -0.00 -0.04 0.01 -0.00 -0.00 -0.01 0.01 0.02 -0.00 -0.01 0.02 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.02 0.00 0.26 -0.10 0.11 -0.30 0.09 -0.13 -0.29 -0.14 -0.10 0.43 0.18 0.26 0.13 0.10 -0.01 -0.24 -0.31 0.10 -0.02 0.01 0.06 0.02 -0.07 -0.02 0.00 0.01 0.00 0.12 -0.04 -0.06 -0.17 0.04 0.10 -0.04 -0.02 -0.19 0.01 0.08 -0.01 -0.06 0.01 0.04 -0.06 -0.05 -0.02 -0.08 0.02 0.03 0.04 0.00 0.11 -0.08 -0.02 -0.05 -0.02 -0.03 -0.01 0.06 0.05 -0.00 -0.04 0.03 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.02 -0.00 0.00 -0.01 0.00 0.01 0.01 0.04 -0.03 0.02 -0.02 0.00 -0.01 -0.07 0.09 -0.02 0.05 -0.02 -0.01 -0.01 -0.00 0.03 0.01 -0.01 -0.01 0.00 0.02 -0.01 -0.03 -0.03 0.02 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.02 0.07 -0.02 -0.01 -0.01 -0.01 -0.02 -0.03 0.00 0.03 -0.03 0.01 0.02 -0.03 0.01 -0.03 -0.03 -0.00 0.00 0.01 -0.01 0.00 0.04 -0.01 -0.08 -0.07 0.02 0.26 -0.06 0.22 -0.34 -0.14 -0.15 0.10 0.09 0.02 0.29 0.42 -0.26 -0.17 -0.26 0.15 0.05 -0.03 0.03 0.03 0.00 -0.01 -0.01 0.01 0.02 0.02 0.02 0.03 0.31 -0.08 -0.22 0.03 0.02 0.17 0.00 -0.03 -0.01 0.01 -0.00 -0.00 0.00 0.03 -0.01 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.07 -0.07 -0.00 0.04 -0.04 0.01 -0.05 0.01 -0.01 0.02 0.01 0.00 0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.03 0.01 -0.02 -0.04 0.00 0.01 0.01 0.05 0.00 -0.01 -0.02 -0.02 0.04 -0.02 -0.02 0.00 -0.01 -0.07 -0.04 -0.06 0.03 0.00 0.02 -0.05 0.01 0.02 0.01 0.01 -0.00 -0.06 0.02 0.02 0.01 -0.01 -0.00 0.03 -0.01 -0.02 0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.02 0.05 -0.07 0.00 0.02 -0.00 0.39 0.03 0.19 0.23 -0.09 0.04 0.43 0.12 0.35 0.21 0.08 0.13 -0.04 -0.06 0.06 0.04 0.02 0.01 0.21 0.02 0.15 -0.00 0.12 0.03 0.01 -0.04 -0.01 0.26 -0.09 -0.11 0.12 -0.02 -0.06 0.03 0.03 0.22 -0.01 0.07 -0.01 -0.02 0.03 0.02 -0.02 -0.02 -0.01 -0.06 0.02 0.06 0.03 0.04 0.09 -0.06 0.00 -0.06 0.03 0.06 0.01 -0.01 -0.01 -0.01 -0.03 0.01 -0.02 -0.01 -0.00 -0.00 -0.02 -0.01 -0.00 0.09 0.16 0.05 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.04 0.12 -0.04 0.06 0.13 -0.02 -0.03 -0.02 -0.15 0.03 -0.02 0.01 -0.02 0.03 -0.01 -0.01 0.01 -0.01 -0.04 -0.02 -0.04 0.00 -0.01 0.02 -0.02 0.01 0.01 -0.03 -0.06 0.02 -0.04 0.01 0.02 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.02 -0.01 0.00 -0.01 0.03 -0.01 -0.01 0.00 0.02 -0.01 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.05 -0.13 0.21 -0.00 0.03 -0.01 0.19 0.01 0.11 0.13 -0.05 0.02 0.24 0.07 0.20 0.13 0.05 0.08 0.01 0.02 -0.00 0.05 0.06 -0.04 0.11 -0.03 0.09 -0.03 -0.24 -0.02 -0.02 0.17 0.03 0.21 -0.06 -0.08 0.10 -0.02 -0.06 0.01 0.02 0.13 -0.01 0.02 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.02 0.01 0.04 0.01 0.01 0.05 -0.02 -0.00 -0.03 -0.07 -0.14 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.02 0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.30 -0.53 -0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.02 -0.02 0.01 0.01 -0.03 0.01 -0.01 0.01 0.02 0.01 0.03 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.06 -0.02 0.00 0.00 -0.00 -0.10 -0.08 -0.01 0.09 -0.06 0.04 0.06 -0.05 0.03 -0.04 -0.07 0.00 0.00 0.00 -0.01 -0.01 0.22 -0.05 -0.10 0.08 -0.12 -0.07 -0.01 0.01 -0.04 0.00 -0.05 0.04 -0.01 0.05 -0.09 -0.16 0.11 -0.03 -0.03 0.01 -0.08 0.01 -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 0.17 -0.03 -0.05 -0.19 0.04 0.06 -0.02 -0.01 -0.05 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.01 -0.03 0.01 -0.00 0.01 0.00 0.01 -0.00 0.39 0.25 0.03 -0.39 0.15 -0.13 0.33 -0.19 0.12 -0.29 -0.25 -0.02 0.01 0.02 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.01 0.05 -0.05 0.05 -0.03 0.04 0.02 0.01 0.05 -0.01 -0.02 -0.05 -0.08 0.03 -0.02 0.00 0.01 0.01 -0.00 -0.01 0.04 -0.02 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.00 0.01 0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.04 -0.01 0.25 -0.34 0.41 -0.17 0.11 -0.13 0.06 -0.01 0.09 -0.26 -0.03 -0.24 0.21 0.29 -0.22 0.15 0.23 -0.15 0.15 0.03 0.07 0.02 -0.02 -0.02 0.00 0.02 0.00 -0.18 0.07 0.08 -0.10 0.02 0.03 -0.02 -0.02 -0.14 0.00 0.01 0.01 -0.02 0.01 0.01 -0.01 -0.02 0.01 -0.01 0.01 0.03 0.01 0.01 0.06 -0.01 -0.00 -0.02 -0.01 -0.03 -0.01 0.09 0.06 0.01 -0.07 0.03 -0.02 0.09 -0.04 0.03 -0.06 -0.05 -0.00 0.02 0.03 0.03 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.03 -0.04 -0.01 -0.02 0.01 -0.01 -0.02 0.02 0.04 0.00 -0.06 -0.02 -0.06 0.06 -0.01 0.02 -0.03 -0.00 0.02 -0.01 -0.01 -0.03 0.03 -0.08 -0.01 0.01 -0.02 -0.03 0.02 0.05 -0.03 -0.01 0.04 -0.02 -0.02 0.02 -0.00 -0.02 -0.01 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.19 0.51 -0.27 -0.14 0.04 0.17 -0.07 -0.00 -0.03 0.06 -0.01 0.04 0.08 0.12 -0.07 0.05 0.07 -0.03 0.40 0.29 0.02 -0.04 -0.01 0.03 -0.01 0.20 0.02 -0.30 0.11 0.14 -0.14 0.01 0.02 0.01 0.00 0.03 0.01 0.13 0.02 -0.09 0.05 0.05 -0.05 -0.07 -0.02 -0.06 0.03 0.06 0.03 -0.00 0.07 -0.05 -0.05 -0.01 0.05 0.08 0.02 0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.02 -0.03 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 0.08 -0.06 -0.01 -0.04 0.04 -0.03 -0.07 0.08 0.03 0.00 0.03 0.02 -0.01 0.00 0.03 -0.01 0.05 -0.02 0.01 -0.02 -0.04 -0.05 0.02 0.04 -0.02 0.01 -0.00 -0.07 0.01 -0.05 0.02 0.01 -0.01 0.00 -0.00 -0.02 0.02 0.01 0.02 0.00 -0.01 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 0.00 -0.00 0.00 -0.15 -0.00 -0.08 -0.02 0.06 -0.33 0.00 0.02 -0.02 0.14 0.05 0.09 0.11 0.18 -0.14 0.11 0.18 -0.16 -0.19 0.05 -0.15 -0.07 -0.25 -0.04 -0.01 0.53 0.11 0.30 -0.09 -0.13 0.14 -0.02 -0.03 -0.00 -0.00 -0.04 -0.00 -0.02 0.01 0.03 0.01 -0.02 0.03 0.00 0.01 0.04 -0.00 -0.04 -0.01 -0.06 -0.05 0.03 -0.03 0.06 0.09 0.18 -0.03 -0.03 -0.02 -0.01 0.01 -0.00 -0.01 -0.02 0.01 -0.01 0.01 0.01 -0.00 0.03 0.06 0.02 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.05 -0.03 -0.00 0.01 0.00 0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.02 -0.03 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.14 -0.04 -0.00 -0.00 0.00 -0.04 -0.02 -0.00 0.04 -0.01 0.01 0.10 -0.04 0.03 -0.09 -0.06 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.06 -0.02 0.05 -0.25 0.05 0.10 -0.02 -0.01 -0.02 -0.11 -0.04 -0.07 -0.06 -0.13 0.09 0.01 0.04 -0.05 0.06 0.08 -0.02 0.00 0.03 0.00 -0.01 0.03 0.02 0.32 -0.02 -0.06 -0.25 0.04 0.02 -0.04 -0.02 -0.18 0.00 0.02 0.01 -0.02 0.01 0.01 -0.01 -0.02 0.00 -0.01 0.01 0.01 0.01 -0.01 0.02 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.24 -0.16 -0.04 0.29 -0.13 0.10 -0.38 0.19 -0.14 0.36 0.25 0.04 0.01 0.02 0.02 0.00 -0.00 0.00 0.00 0.01 0.01 -0.02 -0.07 0.04 0.00 0.01 -0.04 0.03 0.07 -0.07 -0.01 -0.00 -0.06 -0.01 -0.03 0.03 0.04 -0.00 0.08 0.01 0.01 0.01 -0.03 -0.04 0.00 -0.01 -0.04 0.04 0.01 0.01 -0.02 -0.07 0.03 0.00 0.02 -0.01 -0.03 -0.01 0.02 0.01 0.03 -0.01 -0.00 -0.02 -0.06 0.07 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.02 0.03 0.00 -0.00 0.00 0.03 0.22 -0.14 0.01 0.07 -0.35 -0.07 -0.01 -0.09 -0.04 -0.00 -0.03 0.09 0.16 -0.14 0.07 0.13 -0.11 0.04 0.36 -0.24 -0.01 0.40 0.09 -0.01 -0.14 0.02 0.32 -0.10 -0.16 0.22 -0.05 -0.05 -0.04 -0.02 -0.14 0.01 0.08 0.05 -0.04 0.07 0.02 -0.00 -0.06 0.01 -0.02 0.00 -0.05 -0.01 -0.03 -0.04 -0.00 -0.03 0.04 -0.04 -0.08 0.07 -0.00 -0.00 -0.00 -0.05 0.02 -0.03 0.02 -0.02 0.01 -0.06 -0.03 -0.01 -0.02 -0.04 -0.04 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.03 0.01 0.00 0.00 -0.01 0.01 0.02 -0.02 -0.04 0.01 0.00 0.05 -0.01 -0.01 0.01 0.01 -0.03 -0.08 -0.01 -0.06 -0.02 -0.05 0.06 0.05 -0.02 0.03 0.01 0.03 0.00 0.06 -0.02 -0.01 -0.01 -0.01 -0.01 -0.02 0.02 0.03 -0.02 0.03 0.00 -0.01 -0.01 0.02 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.02 -0.00 0.01 -0.02 -0.02 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.10 -0.02 -0.08 -0.05 0.02 0.07 0.18 0.07 0.12 0.44 0.13 0.30 0.16 0.20 -0.11 0.13 0.18 -0.10 -0.36 0.07 -0.24 0.03 0.03 -0.00 0.02 -0.22 -0.08 -0.22 0.09 0.11 -0.22 0.04 0.07 0.03 0.01 0.13 -0.01 0.01 0.00 0.05 0.05 -0.02 0.03 0.01 0.01 0.01 -0.02 -0.11 -0.03 -0.01 -0.12 0.01 0.03 0.02 -0.01 -0.03 0.01 -0.02 -0.01 0.00 0.06 -0.02 0.03 -0.06 0.04 -0.02 0.08 0.05 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.01 0.00 0.00 0.01 -0.01 -0.02 0.01 0.03 -0.01 0.03 -0.04 0.04 -0.04 -0.03 0.00 -0.03 0.02 -0.02 0.01 0.03 0.04 -0.02 0.03 -0.09 0.10 -0.02 0.00 0.01 0.00 -0.00 0.00 0.01 -0.02 -0.05 -0.01 0.04 0.01 -0.00 -0.01 0.00 0.01 0.02 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.14 -0.14 0.18 0.05 -0.05 0.17 0.02 -0.02 0.04 -0.12 -0.03 -0.08 -0.09 -0.14 0.10 -0.09 -0.14 0.11 -0.09 0.60 -0.49 0.07 -0.12 -0.03 0.00 0.01 -0.04 -0.06 0.00 0.02 0.03 -0.00 -0.03 0.01 0.01 0.08 -0.00 0.12 0.10 -0.01 0.17 0.01 0.05 -0.07 0.03 -0.04 0.00 -0.13 -0.01 -0.08 -0.09 -0.02 -0.04 0.06 -0.00 -0.01 -0.03 0.02 0.01 0.00 -0.01 0.01 -0.01 0.03 -0.01 0.01 -0.02 -0.02 -0.00 0.01 0.01 0.02 0.00 -0.00 0.00 0.00 0.01 0.00 -0.04 -0.02 -0.02 -0.03 -0.05 -0.03 0.03 0.07 -0.05 0.03 -0.00 0.05 0.01 0.03 -0.02 -0.03 0.00 -0.05 -0.01 -0.01 -0.01 0.02 0.02 0.00 0.02 -0.01 0.01 0.03 -0.08 -0.04 0.03 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.04 -0.09 0.09 -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 0.08 0.03 -0.00 -0.00 0.00 -0.07 -0.14 0.08 0.04 -0.06 0.15 0.07 0.01 0.04 0.05 0.03 0.03 -0.06 -0.07 0.06 -0.04 -0.08 0.04 -0.08 -0.05 -0.01 -0.11 0.30 0.06 -0.04 0.71 0.29 -0.13 0.04 0.06 -0.06 0.02 0.02 -0.03 -0.02 -0.19 -0.00 -0.03 -0.01 0.03 -0.01 -0.02 0.01 0.01 0.01 0.03 0.01 0.03 0.01 -0.05 0.02 0.01 -0.05 0.04 0.08 0.14 0.16 0.02 0.01 0.00 0.01 -0.00 0.00 0.02 -0.01 0.01 0.00 -0.00 0.00 -0.04 -0.05 -0.13 0.00 -0.00 0.00 0.01 0.02 0.02 -0.01 -0.03 0.10 0.06 0.10 0.02 -0.02 -0.04 0.03 -0.01 -0.04 -0.00 0.01 0.01 0.01 0.01 0.02 -0.04 -0.02 -0.01 -0.01 0.01 0.00 0.02 0.01 -0.00 0.00 0.02 -0.06 -0.06 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.03 0.09 -0.07 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.07 -0.12 -0.06 -0.00 0.00 -0.00 -0.01 0.06 -0.04 -0.03 -0.01 0.22 0.09 0.03 0.04 0.09 0.05 0.06 -0.00 -0.00 0.02 0.01 0.00 -0.02 -0.05 -0.01 -0.02 -0.15 0.53 0.10 -0.08 0.19 0.27 -0.07 0.01 0.03 0.09 -0.03 -0.07 -0.07 -0.05 -0.39 -0.01 0.00 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 0.02 0.00 -0.02 -0.00 0.01 -0.03 0.02 -0.17 -0.28 -0.17 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.04 -0.02 0.02 -0.04 -0.03 -0.00 0.09 0.12 0.24 0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.02 -0.01 -0.02 -0.00 0.00 0.01 -0.01 -0.00 -0.02 0.00 -0.04 -0.03 -0.01 0.08 0.01 -0.06 0.00 0.00 -0.00 -0.01 0.01 0.02 0.04 0.03 0.01 -0.01 0.03 0.02 -0.07 -0.02 0.03 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 -0.02 0.01 0.03 0.00 0.01 -0.02 -0.01 -0.00 -0.03 -0.00 -0.01 0.03 0.01 0.00 0.01 0.03 0.01 -0.00 0.01 -0.00 0.29 0.16 -0.01 -0.46 0.13 0.46 -0.02 -0.00 0.01 0.01 -0.02 0.00 0.03 -0.05 0.06 0.04 0.08 -0.04 -0.29 -0.15 -0.01 0.04 -0.17 -0.04 0.01 -0.04 -0.06 0.04 -0.04 -0.01 0.31 -0.09 -0.25 -0.04 -0.02 -0.20 -0.01 0.00 0.02 0.03 -0.00 -0.01 0.05 0.03 0.01 0.02 -0.01 -0.01 -0.02 0.04 0.01 0.06 0.04 -0.00 0.03 0.05 0.03 -0.00 -0.03 -0.01 -0.02 -0.01 -0.01 0.06 -0.05 0.03 -0.09 -0.07 -0.01 -0.01 -0.01 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.04 -0.01 -0.03 -0.09 -0.06 -0.02 -0.04 0.00 0.03 0.03 0.00 0.01 0.01 -0.00 -0.01 0.07 0.05 0.03 -0.00 -0.01 -0.00 0.03 0.01 -0.02 -0.02 -0.03 0.01 -0.02 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.03 0.00 -0.01 0.02 0.01 0.00 0.03 0.00 0.01 -0.03 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.57 0.28 0.02 0.26 -0.07 -0.20 -0.07 -0.03 -0.04 -0.09 -0.03 -0.08 -0.01 0.04 -0.04 -0.03 -0.06 0.03 -0.45 -0.21 -0.02 -0.05 0.11 0.03 -0.02 0.05 0.07 -0.04 0.03 0.01 -0.17 0.05 0.13 0.01 0.00 0.04 -0.04 0.10 0.05 0.07 0.08 -0.01 0.14 0.12 -0.02 0.03 -0.01 -0.00 -0.03 0.07 0.03 0.10 0.05 0.01 -0.00 0.00 -0.01 0.02 0.04 0.01 -0.03 0.04 -0.01 -0.06 0.05 -0.03 0.07 0.07 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 -0.11 0.03 0.04 -0.02 0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.10 -0.05 -0.00 -0.03 0.01 0.01 -0.00 0.00 -0.04 -0.03 0.01 -0.02 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.08 -0.05 0.07 0.01 -0.00 -0.00 0.00 0.05 0.01 0.01 -0.01 -0.00 0.02 -0.00 -0.01 -0.01 -0.01 -0.05 -0.11 0.43 -0.09 0.14 0.41 0.08 0.16 0.38 -0.27 -0.19 -0.07 -0.23 -0.03 0.08 -0.30 -0.24 0.13 -0.19 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 -0.02 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.04 0.00 0.03 0.02 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.03 0.01 0.00 0.00 -0.00 -0.01 -0.07 0.01 -0.06 0.02 -0.09 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.13 -0.03 -0.03 0.08 -0.02 -0.01 0.03 0.01 -0.01 0.03 0.03 0.02 0.00 0.00 -0.00 0.00 0.01 -0.00 0.04 0.04 -0.01 -0.01 -0.15 -0.04 0.01 -0.08 -0.03 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.04 -0.02 -0.19 -0.07 0.28 -0.02 0.08 0.27 0.05 0.13 0.24 -0.17 0.24 0.09 0.33 0.04 -0.08 0.45 0.36 -0.17 0.25 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.05 -0.03 0.02 0.02 0.03 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.13 -0.01 -0.01 -0.03 -0.02 0.02 -0.03 0.01 0.01 0.01 0.01 0.00 0.01 -0.01 0.01 0.01 0.00 0.01 -0.06 -0.02 -0.00 -0.03 0.00 -0.00 -0.02 0.00 -0.02 0.00 -0.03 -0.00 0.08 -0.02 -0.00 -0.00 -0.02 0.07 -0.01 0.02 -0.08 -0.02 -0.02 -0.06 -0.03 -0.01 0.07 -0.01 0.02 -0.00 -0.01 0.01 -0.00 0.06 -0.02 0.02 -0.09 0.04 -0.27 0.08 -0.01 -0.06 -0.02 -0.04 -0.04 -0.02 -0.03 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.06 -0.02 -0.01 -0.09 0.30 0.07 -0.03 0.02 0.09 0.11 0.03 0.00 -0.13 0.01 0.02 0.12 0.07 0.64 -0.02 0.09 -0.00 0.02 0.08 0.02 0.04 0.08 -0.05 0.07 0.02 0.10 0.01 -0.01 0.14 0.13 -0.04 0.08 -0.00 0.01 -0.02 -0.15 -0.17 -0.00 0.18 -0.15 0.08 0.11 -0.12 0.06 -0.11 -0.15 0.00 -0.02 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 -0.03 -0.02 0.01 0.01 0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.10 -0.00 0.01 -0.01 -0.01 0.04 -0.01 -0.02 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.04 -0.02 -0.03 0.02 0.01 -0.00 -0.02 0.00 -0.01 0.00 -0.02 0.00 -0.10 0.02 -0.00 -0.00 -0.02 -0.10 0.01 -0.03 0.10 0.02 0.02 0.08 0.03 0.01 -0.09 0.02 -0.03 -0.00 -0.00 0.00 0.01 -0.08 0.02 -0.10 -0.12 0.02 -0.33 0.10 0.12 -0.03 -0.01 -0.03 -0.02 -0.01 -0.01 0.02 -0.03 0.03 0.01 0.02 0.01 0.02 0.01 0.00 -0.06 0.21 0.05 -0.02 0.01 0.06 -0.11 -0.07 -0.02 0.30 -0.05 -0.15 0.08 0.05 0.45 -0.02 0.07 -0.02 0.02 0.07 0.02 0.02 0.06 -0.05 0.05 0.02 0.08 0.01 -0.02 0.10 0.08 -0.04 0.06 -0.00 0.01 -0.02 0.22 0.23 -0.00 -0.25 0.19 -0.11 -0.14 0.15 -0.07 0.13 0.18 -0.01 -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.01 0.02 0.01 0.12 0.20 0.16 -0.05 -0.08 -0.06 -0.02 -0.04 0.04 -0.03 -0.05 0.01 0.01 0.02 0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.07 -0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.06 -0.09 -0.14 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 0.06 0.04 -0.00 0.00 -0.00 -0.04 -0.01 0.00 0.08 -0.03 0.02 0.10 0.03 -0.08 0.00 0.13 -0.01 0.07 -0.02 0.02 0.01 0.04 0.06 0.01 0.03 -0.02 0.43 0.42 0.08 0.02 -0.22 -0.29 -0.00 0.01 0.01 0.00 -0.00 0.02 -0.05 -0.03 -0.32 0.00 -0.03 -0.05 0.01 0.03 0.01 -0.05 -0.01 -0.02 0.01 -0.02 -0.05 -0.01 0.08 0.13 0.14 0.08 0.00 0.10 0.21 -0.09 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.09 -0.13 -0.20 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.03 -0.04 -0.02 0.02 0.04 0.01 0.01 0.02 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.02 0.00 -0.01 -0.00 -0.04 -0.02 0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.04 -0.03 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.05 0.01 -0.11 -0.02 0.11 -0.02 0.17 -0.06 0.07 0.02 0.10 0.17 -0.02 -0.01 -0.01 0.52 0.09 0.05 0.15 0.34 -0.47 0.01 0.02 0.01 0.01 -0.00 0.03 0.00 0.01 0.07 -0.01 -0.01 -0.16 0.13 0.02 -0.05 -0.06 -0.05 0.03 -0.20 0.01 -0.02 -0.05 0.27 0.07 0.18 0.01 0.06 -0.00 -0.03 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 0.06 0.10 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.03 -0.01 -0.00 -0.03 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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.07 0.01 -0.07 0.01 0.01 -0.01 0.01 0.00 0.01 0.02 -0.01 -0.03 0.03 0.12 0.03 0.02 0.04 0.10 -0.11 0.01 0.03 0.01 0.01 -0.01 0.04 0.00 0.00 0.02 0.07 -0.22 0.11 -0.32 0.19 0.22 -0.26 0.13 -0.26 0.39 -0.13 -0.30 0.06 -0.26 0.19 0.05 0.34 -0.21 -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 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.01 -0.02 0.02 0.02 0.01 -0.01 0.00 0.00 0.00 0.02 0.01 0.03 -0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.02 0.01 -0.04 -0.02 0.04 -0.01 -0.07 0.03 -0.03 -0.01 -0.04 -0.07 -0.01 0.07 -0.06 -0.25 -0.08 -0.03 -0.07 -0.08 0.23 -0.02 -0.04 -0.01 -0.01 0.01 -0.04 0.00 -0.00 -0.01 0.03 -0.20 -0.34 0.08 0.23 0.04 -0.38 -0.08 -0.13 -0.28 -0.04 -0.17 -0.07 0.42 0.16 0.33 0.16 0.02 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.02 0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.05 -0.03 -0.06 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.03 -0.02 0.01 -0.03 0.00 0.05 -0.12 -0.03 0.19 0.04 -0.22 0.05 -0.06 0.02 -0.02 -0.01 -0.03 -0.05 0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.01 0.22 0.58 0.21 0.24 -0.16 0.57 0.01 -0.00 -0.01 -0.00 0.02 0.02 0.00 -0.01 -0.01 0.03 0.01 0.01 -0.09 0.01 -0.00 -0.02 0.10 0.01 0.06 -0.01 0.03 0.00 0.00 -0.00 0.03 0.02 0.00 -0.02 0.01 -0.00 0.03 -0.01 0.01 0.02 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.04 0.03 -0.02 -0.01 -0.02 0.00 0.01 0.01 0.01 0.01 -0.01 -0.02 -0.01 -0.02 0.00 0.00 0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 0.00 0.05 0.02 0.01 -0.00 -0.01 0.02 0.26 0.07 -0.41 -0.08 0.48 -0.10 0.29 -0.11 0.12 0.03 0.16 0.29 0.00 0.01 0.02 -0.16 -0.06 -0.02 -0.04 -0.07 0.13 0.08 0.21 0.08 0.08 -0.06 0.21 0.01 0.00 0.02 0.00 -0.05 -0.13 0.06 0.06 -0.01 -0.11 -0.05 -0.01 0.14 0.00 0.04 0.03 -0.18 -0.05 -0.13 -0.02 -0.04 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.03 -0.02 -0.01 0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.03 -0.01 -0.03 0.02 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.02 -0.01 -0.00 -0.00 0.00 0.08 0.02 -0.11 0.00 0.14 -0.01 0.09 -0.03 0.04 0.01 0.05 0.09 0.07 0.02 0.00 -0.11 -0.03 -0.01 -0.03 -0.00 0.11 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 0.21 0.37 -0.11 -0.29 -0.05 0.39 0.05 0.16 -0.05 -0.11 -0.33 -0.02 0.22 0.25 0.29 0.32 -0.10 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.02 -0.03 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.00 0.02 -0.02 0.00 0.01 0.01 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 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.03 0.02 0.00 -0.01 0.01 0.00 -0.02 -0.01 0.00 -0.01 -0.02 -0.00 -0.16 0.06 -0.07 -0.02 -0.10 -0.16 0.05 0.06 0.03 0.03 0.00 0.00 0.01 0.02 -0.03 0.00 0.02 0.01 0.01 -0.01 0.01 0.00 0.00 0.01 -0.07 0.18 -0.40 0.48 -0.05 -0.24 0.05 -0.22 0.24 0.31 -0.09 -0.20 0.05 -0.24 0.16 -0.00 0.23 -0.16 0.00 -0.00 0.00 0.02 0.01 0.00 0.01 -0.00 0.01 0.02 -0.01 0.01 0.02 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.12 -0.02 -0.03 0.00 0.01 -0.00 0.05 0.09 -0.01 0.05 -0.08 0.03 0.12 -0.09 0.05 0.11 0.11 0.00 0.00 0.01 0.00 -0.12 -0.01 -0.03 -0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.08 -0.02 0.12 0.02 -0.15 0.02 0.14 -0.05 0.05 0.01 0.07 0.14 0.01 0.01 -0.00 -0.03 0.01 0.00 -0.01 -0.00 0.03 0.05 0.05 0.02 0.05 -0.01 0.07 0.00 -0.00 -0.00 -0.01 0.03 -0.09 0.10 0.00 -0.04 -0.00 -0.04 0.04 0.04 -0.01 -0.03 0.01 -0.03 0.02 0.00 0.03 -0.02 -0.01 -0.01 -0.01 -0.38 -0.18 -0.05 -0.37 0.10 -0.11 -0.42 0.15 -0.14 -0.39 -0.22 -0.05 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 0.03 -0.03 -0.04 -0.00 -0.05 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.02 0.00 -0.01 0.01 -0.01 -0.02 0.02 -0.01 -0.02 -0.02 -0.00 0.01 0.01 0.01 0.02 0.00 0.00 -0.01 0.00 -0.00 0.03 -0.02 -0.03 -0.21 -0.06 0.32 0.06 -0.38 0.07 0.47 -0.17 0.18 0.05 0.26 0.46 0.01 0.02 -0.01 -0.10 0.02 -0.00 -0.03 -0.04 0.09 -0.03 -0.09 -0.04 -0.05 0.03 -0.08 -0.00 -0.00 -0.03 -0.02 0.03 -0.13 0.13 0.02 -0.05 -0.02 -0.05 0.04 0.03 -0.01 -0.04 0.00 -0.02 0.02 0.01 0.04 -0.02 -0.01 -0.02 -0.01 0.06 0.03 0.01 0.08 -0.02 0.02 0.07 -0.03 0.02 0.07 0.04 0.01 -0.01 -0.02 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.12 0.03 -0.05 -0.08 -0.07 -0.08 -0.15 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.13 0.26 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.11 0.18 0.14 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.02 -0.00 0.02 -0.00 -0.09 0.03 -0.03 -0.01 -0.05 -0.09 -0.02 -0.03 0.01 0.26 0.18 0.03 0.06 0.20 -0.19 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.02 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.25 -0.46 -0.18 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.18 -0.27 -0.41 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.04 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.35 -0.08 -0.00 0.00 -0.00 -0.10 -0.22 0.02 0.11 -0.20 0.07 -0.09 0.20 -0.07 0.10 0.24 -0.03 0.00 0.00 0.00 0.00 -0.35 0.08 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.16 -0.01 -0.01 -0.26 0.04 -0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.31 0.05 0.06 -0.32 -0.02 -0.07 0.27 0.05 0.06 -0.32 -0.03 -0.07 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.24 -0.01 -0.06 -0.00 -0.00 -0.00 0.30 0.12 0.05 0.30 -0.07 0.09 -0.26 0.03 -0.07 -0.24 -0.08 -0.04 -0.00 -0.00 -0.00 0.12 0.01 0.03 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.04 -0.01 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.34 -0.32 -0.01 -0.35 0.23 -0.14 0.21 -0.20 0.10 0.17 0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 0.03 -0.04 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.07 -0.11 -0.14 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.35 0.55 0.72 0.00 0.01 -0.02 0.03 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.04 0.00 0.00 -0.02 0.01 -0.03 0.04 -0.06 -0.07 -0.01 -0.02 0.01 0.05 0.01 -0.01 0.02 -0.04 -0.05 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 0.01 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 -0.05 -0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.19 -0.26 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.09 0.02 0.13 0.01 -0.03 -0.04 -0.01 0.01 -0.00 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.06 0.01 -0.00 -0.00 -0.00 0.46 0.07 -0.03 -0.16 0.08 -0.34 -0.26 0.39 0.47 0.01 0.06 -0.01 -0.12 -0.02 0.02 0.04 -0.06 -0.08 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.03 -0.05 0.00 -0.00 -0.00 -0.02 0.00 0.03 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.02 -0.00 0.01 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.26 0.42 0.55 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.23 -0.04 -0.30 -0.02 0.09 0.12 0.02 -0.01 0.00 -0.05 0.08 0.11 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.02 -0.04 -0.03 -0.13 -0.01 -0.00 -0.00 0.00 0.19 0.03 -0.01 -0.06 0.03 -0.13 -0.08 0.13 0.15 0.01 0.10 -0.02 -0.21 -0.04 0.03 0.10 -0.15 -0.20 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 0.06 0.08 -0.01 -0.03 -0.00 -0.02 0.05 0.01 0.16 -0.03 -0.22 -0.02 0.11 0.14 0.04 -0.02 0.00 -0.01 0.02 0.02 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.14 0.02 -0.01 -0.05 0.03 -0.11 -0.08 0.13 0.15 -0.04 -0.29 0.07 0.59 0.12 -0.08 -0.20 0.32 0.43 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.03 -0.00 -0.01 -0.00 0.02 0.01 -0.04 0.00 0.02 0.03 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.15 0.24 0.32 0.05 0.14 0.02 0.08 -0.23 -0.02 -0.36 0.07 0.50 0.06 -0.29 -0.36 -0.12 0.07 -0.01 -0.04 0.05 0.07 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.03 -0.05 -0.04 -0.16 -0.02 -0.00 0.00 0.00 0.05 0.01 -0.00 -0.03 0.02 -0.07 -0.01 0.02 0.02 -0.01 -0.08 0.02 0.17 0.03 -0.02 -0.04 0.07 0.10 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.04 -0.01 -0.02 -0.02 0.03 0.01 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.06 -0.10 -0.13 0.15 0.43 0.06 -0.08 0.24 0.02 0.26 -0.05 -0.35 0.07 -0.35 -0.43 -0.17 0.10 -0.01 0.01 -0.02 -0.02 0.00 -0.01 0.03 -0.01 0.00 -0.01 -0.03 0.07 -0.12 -0.08 -0.33 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.01 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 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.01 0.01 0.02 0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.04 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.05 0.09 0.11 -0.03 -0.10 -0.01 -0.02 0.06 0.00 0.12 -0.02 -0.15 0.06 -0.27 -0.34 -0.12 0.07 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.03 -0.02 0.00 -0.01 0.08 -0.20 0.36 0.18 0.70 0.07 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.07 -0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 0.27 0.78 0.11 0.03 -0.07 -0.00 -0.06 0.01 0.08 -0.04 0.20 0.25 0.14 -0.08 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.03 0.02 -0.00 0.01 0.07 -0.15 0.28 0.04 0.19 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 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 -0.01 0.00 0.00 0.00 0.03 -0.05 -0.01 -0.04 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.01 0.02 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 0.06 0.08 -0.01 -0.03 -0.00 -0.20 0.61 0.01 -0.11 0.01 0.16 0.01 -0.07 -0.09 0.48 -0.26 0.07 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.06 -0.02 -0.02 0.01 -0.03 0.08 -0.13 -0.16 0.00 -0.00 -0.00 -0.15 -0.03 0.02 -0.06 0.10 0.14 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 -0.01 0.03 0.01 0.02 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 0.01 0.04 0.04 -0.01 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.03 -0.04 0.01 0.01 0.00 0.10 -0.31 -0.01 0.07 -0.01 -0.09 -0.00 0.04 0.05 -0.26 0.14 -0.04 0.01 -0.02 -0.02 0.00 -0.01 0.02 -0.03 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.48 0.09 -0.02 -0.08 0.04 -0.14 0.16 -0.27 -0.31 0.01 0.01 -0.01 -0.37 -0.08 0.04 -0.14 0.23 0.31 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.05 -0.01 0.03 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.04 0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.02 -0.05 0.03 -0.01 0.00 -0.00 -0.01 -0.02 0.17 -0.64 0.67 -0.03 0.23 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.08 -0.02 0.00 0.02 -0.01 0.03 -0.03 0.05 0.05 0.01 0.03 -0.01 -0.13 -0.03 0.01 -0.05 0.09 0.12 -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 0.01 -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 0.03 -0.06 0.02 0.04 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.03 -0.04 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.02 0.00 0.00 0.00 -0.07 0.04 -0.01 0.05 -0.08 -0.11 -0.00 0.04 -0.15 0.16 -0.01 0.06 -0.01 0.01 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.42 0.08 -0.02 -0.06 0.03 -0.11 0.14 -0.23 -0.26 -0.01 -0.00 0.01 0.51 0.11 -0.06 0.18 -0.30 -0.41 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.02 -0.01 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.06 -0.05 -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 -0.01 -0.05 -0.15 -0.02 -0.07 0.22 0.00 -0.05 0.00 0.07 -0.01 0.05 0.07 -0.25 0.14 -0.04 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.03 0.00 -0.01 0.16 -0.34 0.68 -0.11 -0.43 -0.05 0.00 -0.00 0.00 0.04 0.01 -0.00 0.03 -0.02 0.06 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.00 -0.02 0.03 0.01 -0.04 0.03 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.03 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 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.05 -0.06 -0.03 -0.09 -0.01 0.12 -0.36 -0.01 0.11 -0.01 -0.15 0.02 -0.14 -0.18 0.47 -0.25 0.07 0.02 -0.02 -0.03 -0.00 0.00 -0.02 0.06 -0.00 0.02 0.06 -0.12 0.24 -0.05 -0.20 -0.03 0.00 -0.00 0.00 -0.23 -0.04 0.02 -0.21 0.12 -0.44 0.06 -0.09 -0.09 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.03 0.01 -0.03 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.05 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.03 -0.04 -0.01 -0.04 -0.01 0.12 -0.36 -0.01 0.07 -0.01 -0.09 0.01 -0.10 -0.13 0.31 -0.17 0.05 -0.00 0.01 0.01 0.00 0.00 -0.01 0.03 -0.00 0.01 0.03 -0.06 0.11 -0.02 -0.10 -0.01 -0.00 0.00 0.00 0.35 0.06 -0.03 0.29 -0.17 0.62 -0.07 0.09 0.09 -0.00 -0.01 0.00 0.02 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.01 0.02 0.02 0.00 -0.05 0.21 0.15 -0.01 0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.11 0.87 -0.24 0.23 0.03 -0.03 -0.07 0.09 0.15 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 0.02 -0.07 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.01 -0.00 0.02 0.02 -0.02 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.17 0.67 0.63 -0.03 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.25 0.07 -0.06 -0.01 0.01 0.02 -0.02 -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 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.07 0.03 -0.01 -0.01 0.00 0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 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 -0.01 0.01 -0.02 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.49 0.77 -0.30 0.08 0.16 -0.01 -0.09 -0.19 0.02 0.01 -0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.04 -0.07 0.01 -0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.03 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 0.08 -0.14 0.05 0.42 0.85 -0.08 0.03 0.05 -0.01 0.11 -0.18 0.07 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.04 0.00 0.04 -0.06 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.06 0.08 -0.03 0.08 0.15 -0.01 0.26 0.50 -0.05 -0.42 0.63 -0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.00 -0.03 -0.06 0.01 -0.03 0.04 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.10 0.15 -0.06 -0.07 -0.13 0.01 0.36 0.70 -0.07 0.29 -0.44 0.17 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.03 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 -0.01 -0.19 0.82 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.14 -0.35 0.37 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.05 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.05 -0.05 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -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 0.12 -0.51 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.22 -0.56 0.59 -0.00 -0.00 -0.00 -0.01 -0.06 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.13 0.97 -0.19 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 333.16079 0.99967 0.0255 -0.00224 -0.02553 0.99962 -0.01015 0.00198 0.01021 0.99995 asymmetric 1 0.01641 0.00623 0.00496 0.34183 0.12984 0.10336 1046967.0 28.48 48.00 56.64 76.38 80.87 104.89 128.49 131.89 185.53 209.04 236.55 259.73 295.08 328.67 364.15 375.51 389.78 446.52 462.81 474.08 519.26 539.41 558.15 564.42 599.51 604.42 632.53 664.26 744.42 771.01 819.10 856.37 877.39 931.78 949.36 963.77 978.34 996.45 1043.30 1083.20 1130.03 1161.69 1187.74 1204.31 1223.83 1233.73 1258.73 1275.49 1299.50 1320.27 1325.94 1361.51 1378.83 1382.13 1398.48 1403.51 1408.51 1410.23 1467.58 1485.03 1486.86 1513.68 1532.40 1556.94 1579.13 1584.31 1621.45 1634.08 1661.87 1664.88 1680.12 1715.61 1728.84 1744.64 1753.12 1766.66 1776.22 1801.64 1814.69 1848.96 1879.67 1885.89 1899.92 1906.71 1919.18 1921.49 1932.11 1936.04 1943.05 1952.36 1968.44 1986.81 2006.44 2027.46 2030.70 2062.51 2067.25 2072.97 2119.29 2139.61 2143.52 2149.83 2158.47 2160.70 2173.28 2182.88 2190.04 2196.63 2209.49 2318.26 2353.37 4284.74 4337.88 4341.98 4351.42 4353.58 4371.02 4379.00 4397.57 4422.72 4423.55 4429.17 4434.00 4444.97 4450.40 4453.37 4495.59 4503.19 4544.90 4546.50 4598.33 4599.96 4669.69 4675.97 5275.79 0.398769 0.420220 0.421164 0.346538 -1399.976966 -1399.955515 -1399.954571 -1400.029197 263.692 83.729 157.062 0.000 0.000 0.000 0.889 2.981 43.305 0.889 2.981 35.504 261.914 77.768 78.254 1 0.593 1.986 6.655 2 0.594 1.983 5.619 3 0.594 1.981 5.291 4 0.596 1.976 4.699 5 0.596 1.975 4.586 6 0.599 1.967 4.073 7 0.602 1.957 3.675 8 0.602 1.955 3.624 9 0.611 1.924 2.962 10 0.617 1.908 2.733 11 0.623 1.886 2.498 12 0.629 1.866 2.323 13 0.640 1.833 2.087 14 0.651 1.798 1.891 15 0.664 1.758 1.709 16 0.669 1.744 1.655 17 0.675 1.727 1.590 18 0.699 1.654 1.360 19 0.707 1.632 1.302 20 0.712 1.617 1.263 21 0.735 1.553 1.118 22 0.746 1.524 1.060 23 0.756 1.496 1.008 24 0.760 1.487 0.991 25 0.780 1.434 0.903 26 0.783 1.427 0.892 27 0.800 1.384 0.828 28 0.819 1.335 0.761 29 0.872 1.211 0.616 30 0.891 1.171 0.574 31 0.925 1.098 0.506 32 0.953 1.042 0.458 33 0.969 1.011 0.433 0.105739e+25 24.024237 55.317849 0.345233e+09 8.538113 19.659731 0.100000e+01 0.000000 0.000000 0.239020e+09 8.378435 19.292059 0.128141e+08 7.107689 16.366059 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.9004 -1.6562 1.7054 3.7502 -161.2517 -151.2107 -148.7168 0.2476 -8.1665 -5.6568 -7.5253 2.5157 5.0096 0.2476 -8.1665 -5.6568 -108.9378 -55.5210 13.8346 24.1940 7.3897 18.8282 -7.0108 14.8387 -36.1325 -9.9487 -10131.5968 -3799.0130 -836.1271 15.4118 -26.6171 -13.3957 -197.1933 -7.3838 9.3599 -2144.7464 -1790.8975 -726.4133 -12.2956 25.0624 -16.2364 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1400.375735 6.288E-9 1.05E-5 0.3987687 0.4202196 -1399.9555154 -1399.9545712 -1400.0291966 -2.9381241,0.5881836,2.3499406,3.9649665,-7.3859051,-1.1830041 C01 [X(C18H24Cl1N3O1)] -1.3569331 -0.1612395 0.5564565 -0.7911892 0.3011556 -0.1532134 0.2876608 -0.2132107 0.0641984 -0.201428 0.088429 -0.1150408 -0.602132 0.0446867 0.0044487 0.0697762 -0.7223769 0.1512572 -0.0290686 0.175177 -0.7595554 -0.4258279 -0.3054768 -0.0663584 -0.2512108 -0.3940107 -0.0975561 0.0364709 -0.0053196 -0.0242887 -0.2118081 -0.0311607 -0.1141747 -0.0325393 -0.293014 -0.0315948 -0.2729112 -0.2986563 -0.4899338 -0.4942166 -0.2832754 -0.0429967 -0.1780139 -0.5213922 -0.0162286 0.0431584 0.0554443 -0.4406334 0.2795393 -0.1406558 -0.0322483 -0.0103958 0.4813951 -0.1312645 0.1802784 -0.147677 0.5516939 0.0517912 0.0109699 0.0467163 -0.0168838 -0.0071109 0.0510709 -0.0576995 -0.0152677 0.033047 -0.1025783 0.1193436 -0.0715118 -0.0321641 0.0339082 0.0184381 -0.1690432 0.0619662 0.0070983 0.0460825 0.0058843 -0.0778492 0.0069438 0.0882142 0.0409512 -0.0552346 0.0347263 0.0668246 0.0471703 0.0126817 0.0128079 0.0286817 0.0532729 0.068341 0.0424805 0.0526757 0.0485054 0.1710526 0.0137024 0.0167577 -0.0213195 0.1402899 -0.0076439 0.0247786 0.0058764 0.1405964 0.3507013 0.3160482 0.1018511 0.1823696 0.3596782 -0.0100537 -0.0215841 0.0240496 0.0588337 0.0997245 0.0477833 0.0247686 0.1295919 0.0130944 0.0109963 0.029725 0.0089035 0.0813029 0.0083259 -0.0589574 -0.0093097 -0.0198884 0.0242329 0.0417445 -0.0033976 0.0423261 0.093604 0.0561023 -0.0150234 -0.0349632 -0.0099215 0.0105458 0.0902558 -0.0194367 0.0541458 0.0281001 0.2831596 -0.1980081 0.0059118 -0.1762989 0.0168464 -0.021984 0.0956557 -0.0738942 -0.0802264 0.408699 0.3836739 0.1359745 0.2613822 0.297979 0.0722419 0.1179128 0.1846153 0.2175921 -0.1030901 0.0538807 0.0258522 0.0063379 0.0521991 -0.0312315 0.0206828 -0.0197474 -0.0967694 -0.0400405 0.0860302 0.0365898 0.0885901 -0.0082973 -0.0123659 0.0188513 -0.0138376 -0.099098 -0.1598989 0.1426584 -0.0323879 0.1569767 -0.0612565 0.0114023 -0.0349833 0.0220678 -0.1046796 -0.2591724 0.0636406 -0.0316819 0.0436413 0.0318194 -0.01664 -0.0372969 -0.0144044 -0.1014794 0.1686063 0.1434089 -0.0012939 0.1306453 0.143436 -0.086935 0.0031681 -0.1132223 0.4611529 1.0560246 -0.4333736 0.268315 -0.4253734 0.1950924 -0.1155106 0.3034561 -0.1329217 0.0356437 0.0318851 -0.0178396 0.0020646 0.0030937 -0.0591704 -0.0637881 0.0242425 -0.0661677 -0.0765283 -0.0945207 -0.1213641 -0.0179085 -0.0992203 0.0126174 -0.0097518 -0.0156039 -0.0045904 -0.0114095 0.0335433 -0.01443 -0.0063589 -0.0672452 -0.1358538 0.0140118 -0.022687 -0.0321898 0.0371201 -0.069336 0.012219 0.0963468 0.0548906 0.0317143 -0.0633472 0.1024707 -0.011216 -0.0677187 -0.0279694 -0.0097165 0.0039209 -0.0342592 0.0048192 -0.1184136 0.0072176 -0.0974938 -0.1090006 -0.014288 0.0486609 -0.046672 0.0933142 -0.0905031 0.0420826 -0.0724598 0.0148413 0.0629296 -0.0078124 0.0056679 -0.0168382 0.0158254 -0.0704261 -0.0768311 -0.0067097 -0.0984352 -0.1422101 0.0486654 -0.0469731 -0.0204038 -0.0506525 0.0549227 0.024031 0.0354676 0.0410152 -0.0622975 -0.067612 -0.0108748 -0.0188528 0.0897989 -0.0403023 0.0138013 -0.0262485 0.0123339 0.0575008 0.0066271 -0.0152704 0.0226949 -0.0190386 0.0373431 0.0742383 0.0252443 0.0450352 -0.0309183 -0.0504781 -0.0410779 -0.0402062 -0.0947635 -0.0564872 -0.046859 -0.0266835 -0.0146205 0.0434927 0.283008 0.0344646 0.0355607 0.0382151 0.4779964 0.0671505 0.0362216 0.0817967 0.3065697 -0.2118458 0.0049905 0.0010955 0.0691586 0.0342072 -0.0050442 -0.011628 -0.0029287 0.0718764 0.0838114 0.0245317 -0.0511555 0.0031549 -0.026759 0.0775228 -0.0258163 0.1058434 -0.0919954 0.0513892 0.0338536 0.0580635 -0.0212827 -0.0337473 -0.0655107 0.0077901 -0.1180044 -0.0667811 0.0785953 -0.0877423 0.0194338 -0.092202 -0.0880411 0.0264215 0.0095457 0.0219471 0.0374497 -0.2227021 0.075114 -0.0344664 0.0533743 0.0539688 0.0118297 0.0223255 0.0023328 0.0406807 0.0630321 0.0318955 0.0349159 0.006512 -0.0224039 -0.1171866 -0.0117223 -0.0502761 -0.0702081 0.0920675 -0.0489356 0.0230637 -0.0453192 0.1201327 0.0530567 0.0281371 0.0587127 0.0588942 0.0741373 0.0261842 -0.0314755 0.035451 -0.0750792 0.0397912 -0.0388993 0.0439031 0.0991407 -0.0606732 -0.0795021 -0.0264525 -0.0779496 0.0388766 0.0108251 -0.0337557 0.0123638 0.1080704 -0.0083356 -0.0497595 -0.0120734 -0.0581481 0.0465023 0.0060045 -0.0218405 0.0075111 0.127514 0.0715046 0.0226357 -0.0117813 0.0252368 -0.0349557 0.0308488 -0.0221756 0.0393671 0.1243189 0.0802815 -0.0563487 0.0254806 -0.0465328 0.0992936 0.0332279 0.0230326 0.0334644 0.0412197 295.8640338|-6.1789366|241.7084026|16.2345239|-8.0418263|187.0197001 0.000011771 -0.000002664 0.000002760 0.000020960 -0.000004600 0.000002913 0.000018661 0.000031043 0.000019488 0.000013024 -0.000004742 0.000011475 -0.000034306 -0.000014720 -0.000018446 -0.000019217 0.000017326 0.000010770 0.000007626 -0.000005928 -0.000004694 0.000008483 -0.000005224 0.000008034 -0.000018887 0.000005282 0.000013211 0.000011871 -0.000000348 -0.000015418 0.000004576 0.000000385 0.000011655 -0.000014806 -0.000004754 -0.000000455 -0.000007378 0.000001790 -0.000012231 -0.000009168 -0.000006535 0.000000390 -0.000009905 -0.000002544 -0.000007964 0.000006359 0.000004987 0.000005123 0.000032457 0.000007860 -0.000041886 -0.000002685 -0.000009889 0.000002266 0.000001923 0.000009429 -0.000001672 0.000010329 -0.000003909 0.000001872 0.000015141 -0.000004776 0.000004382 -0.000023937 -0.000017137 0.000026449 -0.000040986 0.000016066 -0.000012832 -0.000000708 -0.000002129 0.000003141 -0.000000686 -0.000000069 0.000000359 0.000004287 0.000002025 -0.000005959 0.000009035 -0.000006286 -0.000004383 -0.000003760 0.000003486 -0.000004998 -0.000001576 0.000004364 0.000006466 0.000000810 -0.000001466 -0.000002781 0.000005615 0.000000905 -0.000004261 0.000007887 -0.000005142 -0.000008340 -0.000003419 -0.000000775 0.000001954 -0.000001055 0.000000537 0.000006221 -0.000006859 -0.000005414 0.000001509 0.000007588 -0.000000262 0.000001615 0.000000546 0.000002514 -0.000005566 0.000000943 0.000005174 0.000003832 -0.000004162 -0.000002526 0.000001285 0.000007209 -0.000002875 0.000002939 0.000002792 0.000000989 0.000006042 -0.000004829 -0.000002798 -0.000000292 -0.000001227 -0.000000532 -0.000001033 0.000000966 0.000001321 -0.000000360 -0.000001630 -0.000002548 -0.000000168 0.000002475 0.000004727 0.000000055 -0.000002146 0.000000383 -0.000002470 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.493,-3.0508,.4077;-1.8583,1.2194,-1.6815;-1.0696,2.8541,.7027;-.5727,3.4367,-.4199;.6358,4.0575,1.3844;-1.866,.7329,-.3464;-2.9286,-.3889,-.2053;-.5422,.0206,.0652;-2.4614,-1.1917,1.0368;-.9652,-.8427,1.2694;-4.4168,.0169,-.1623;-2.1732,1.9028,.622;.0528,-.8139,-1.0912;-5.3034,-1.2293,.0024;-4.8632,.8016,-1.4048;1.4059,-1.3864,-.7429;-.3284,3.2338,1.7628;2.5301,-.5545,-.6722;1.5747,-2.7429,-.4531;3.7814,-1.0525,-.3227;2.8199,-3.2631,-.1013;.446,4.1474,.0435;3.9139,-2.4088,-.037;-2.796,-1.0055,-1.102;.2134,.7564,.3526;-2.6112,-2.2623,.8886;-3.0597,-.9188,1.9119;-.8424,-.2828,2.2008;-.3369,-1.7295,1.367;-4.5755,.6475,.7242;-2.3567,1.5427,1.6346;-3.0598,2.4333,.275;.1327,-.1759,-1.9737;-.631,-1.6248,-1.3578;-1.3201,2.0275,-1.7029;-6.3606,-.95,.0198;-5.089,-1.7756,.9236;-5.1561,-1.9162,-.8384;-4.2867,1.7135,-1.5546;-5.9227,1.0637,-1.3273;-4.7308,.1942,-2.3056;-.5258,2.8937,2.7679;2.4282,.5024,-.897;.7218,-3.4115,-.5073;4.6448,-.4012,-.2738;2.9395,-4.3163,.1188;1.0625,4.7478,-.6077; Gaussian 16 20-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C18H24ClN3O)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.493,-3.0508,.4077;-1.8583,1.2194,-1.6815;-1.0696,2.8541,.7027;-.5727,3.4367,-.4199;.6358,4.0575,1.3844;-1.866,.7329,-.3464;-2.9286,-.3889,-.2053;-.5422,.0206,.0652;-2.4614,-1.1917,1.0368;-.9652,-.8427,1.2694;-4.4168,.0169,-.1623;-2.1732,1.9028,.622;.0528,-.8139,-1.0912;-5.3034,-1.2293,.0024;-4.8632,.8016,-1.4048;1.4059,-1.3864,-.7429;-.3284,3.2338,1.7628;2.5301,-.5545,-.6722;1.5747,-2.7429,-.4531;3.7814,-1.0525,-.3227;2.8199,-3.2631,-.1013;.446,4.1474,.0435;3.9139,-2.4088,-.037;-2.796,-1.0055,-1.102;.2134,.7564,.3526;-2.6112,-2.2623,.8886;-3.0597,-.9188,1.9119;-.8424,-.2828,2.2008;-.3369,-1.7295,1.367;-4.5755,.6475,.7242;-2.3567,1.5427,1.6346;-3.0598,2.4333,.275;.1327,-.1759,-1.9737;-.631,-1.6248,-1.3578;-1.32,2.0275,-1.7029;-6.3606,-.95,.0198;-5.089,-1.7756,.9236;-5.1561,-1.9162,-.8384;-4.2867,1.7135,-1.5546;-5.9227,1.0637,-1.3273;-4.7308,.1942,-2.3056;-.5258,2.8937,2.7679;2.4282,.5024,-.897;.7218,-3.4115,-.5073;4.6448,-.4012,-.2738;2.9395,-4.3163,.1188;1.0625,4.7478,-.6077; oldchk=/home/paulapla/almacen/ADAMA/censo_results/ipconazole_RSS/gas/CONF12/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction ipconazole_RSS CONF12 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 681 A 658 A 658 1037 681 89 89 2098.1948703579 47 47 47 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=131 Grimme-D3 -0.0577610390 0.000000 8.754518 0.000000 8.833009 2.996423 0.000000 8.919861 2.856696 1.358882 0.000000 8.664485 4.865760 2.195815 2.258669 0.000000 8.308974 1.421072 2.496853 2.998104 4.506446 0.000000 8.853505 2.431395 3.846719 4.497960 5.916340 1.551606 0.000000 6.780434 2.494116 2.951829 3.450515 4.407381 1.558562 2.436315 0.000000 8.192973 3.683364 4.291558 5.206893 6.104784 2.443769 1.551012 2.469226 0.000000 6.879388 3.709207 3.741436 4.617455 5.156405 2.429948 2.497127 1.540828 1.553930 0.000000 10.389377 3.209347 4.472262 5.151534 6.651886 2.655757 1.543116 3.881223 2.592701 3.834345 0.000000 9.129872 2.423325 1.459228 2.449508 3.621429 1.549507 2.550891 2.552053 3.135502 3.068605 3.034023 0.000000 6.070091 2.852274 4.234619 4.348488 5.495402 2.574679 3.139140 1.545225 3.315516 2.570887 4.640066 3.907790 0.000000 10.956439 4.549741 5.923609 6.658015 8.070605 3.973331 2.527619 4.922862 3.024599 4.535947 1.538247 4.471243 5.482408 0.000000 11.197120 3.046342 4.800526 5.130496 6.972783 3.179302 2.568767 4.630473 3.962712 5.004910 1.535824 3.543501 5.184080 2.509631 0.000000 4.560530 4.280946 5.118507 5.223086 5.895256 3.918356 4.480159 2.535283 4.261638 3.157017 6.017460 5.048921 1.509939 6.752353 6.672797 0.000000 8.672933 4.273400 1.348168 2.205720 1.323402 3.614910 4.874274 3.640365 4.966097 4.155316 5.547010 2.544874 4.967342 6.911514 6.042652 5.534595 0.000000 4.021939 4.839870 5.144617 5.061678 5.393405 4.592322 5.481187 3.211544 5.314400 4.008762 6.989013 5.462145 2.525891 7.891408 7.552251 1.400322 5.333994 0.000000 4.023521 5.384674 6.297133 6.542081 7.106526 4.891868 5.087462 3.519452 4.573436 3.609495 6.602940 6.065059 2.538547 7.057352 7.410455 1.397339 6.652206 2.397861 0.000000 2.730559 6.230172 6.312310 6.254612 6.238668 5.922940 6.743776 4.471671 6.390684 5.010865 8.269206 6.714456 3.814475 9.092315 8.907144 2.435390 6.293777 1.391356 2.782773 0.000000 2.729379 6.669033 7.293416 7.516469 7.782529 6.163195 6.427817 4.702528 5.786029 4.697179 7.945531 7.220833 3.825595 8.374630 8.789188 2.435791 7.456197 2.783196 1.394598 2.420749 0.000000 8.798737 4.105971 2.098655 1.325788 1.357230 4.142050 5.659362 4.243575 6.160070 5.328735 6.383600 3.497618 5.104607 7.871877 6.440485 5.671179 2.095313 5.192659 6.999721 6.188522 7.782730 0.000000 1.761605 7.013414 7.285674 7.378753 7.387802 6.585850 7.136439 5.076397 6.578741 5.288202 8.677601 7.488516 4.308544 9.292556 9.445366 2.798926 7.285270 2.399351 2.399315 1.392392 1.389515 7.417328 0.000000 8.670007 2.482967 4.597066 5.014041 6.602495 2.111283 1.096284 2.737579 2.172857 3.000290 2.134347 3.437734 2.855181 2.748982 2.762315 4.234326 5.680419 5.362392 4.747872 6.623535 6.134822 6.194726 6.937308 0.000000 6.509339 2.940135 2.483738 2.898032 3.484294 2.193872 3.390472 1.093187 3.379083 2.187845 4.717059 2.661355 2.139243 5.873723 5.372346 2.685812 2.901636 2.852376 3.840192 4.056946 4.812044 3.412993 4.885111 3.778400 0.000000 8.156625 4.392560 5.346761 6.192368 7.122376 3.324339 2.192419 3.188999 1.091061 2.206679 3.091788 4.196504 3.621312 3.016679 4.440499 4.423313 6.015128 5.637876 4.421836 6.617838 5.610519 7.151528 6.592059 2.361395 4.168670 0.000000 8.941885 4.350634 4.433631 5.531053 6.220820 3.041830 2.186392 3.260420 1.094614 2.192209 2.649376 3.226597 4.326354 2.962548 4.148750 5.216160 4.972532 6.169042 5.513483 7.198089 6.642182 6.437945 7.392603 3.026662 3.993863 1.747384 0.000000 7.142435 4.285039 3.483683 4.558004 4.657233 2.927038 3.186344 2.177827 2.191406 1.093684 4.295364 3.006745 3.452665 5.062543 5.508411 3.864989 3.580817 4.438734 4.351733 5.323555 5.252999 5.093185 5.670157 3.904768 2.368648 2.961208 2.324750 0.000000 6.054266 4.506036 4.689039 5.471526 5.868182 3.367015 3.314500 2.190751 2.216231 1.091126 4.694006 4.137678 2.651951 5.174743 5.880107 2.758035 4.978998 3.709323 2.827367 4.502668 3.804367 6.074713 4.527980 3.559066 2.740686 2.384305 2.892720 1.744606 0.000000 10.730902 3.673930 4.142598 5.011146 6.262810 2.914626 2.156453 4.134577 2.819539 3.943674 1.099340 2.712471 5.181941 2.138453 2.153798 6.485839 5.079994 7.340657 7.120784 8.592107 8.406297 6.158664 9.054906 3.038737 4.804573 3.514565 2.482207 4.120933 4.901913 0.000000 9.177297 3.368954 2.060249 3.315226 3.916838 2.195706 2.728318 2.841170 2.801023 2.785684 3.130677 1.090271 4.334684 4.362539 4.008725 5.328138 2.643856 5.796628 6.179043 6.945669 7.273633 4.143780 7.598000 3.765033 2.977774 3.885797 2.574915 2.438464 3.854650 2.560063 0.000000 10.160789 2.597074 2.078610 2.770434 4.186452 2.168539 2.865760 3.493285 3.752204 4.013489 2.805616 1.089841 4.700916 4.303787 2.955726 5.963859 3.211689 6.408660 6.985737 7.701257 8.195114 3.909277 8.495615 3.713554 3.678520 4.756642 3.730344 4.000296 5.092600 2.385052 1.770868 0.000000 6.532072 2.448811 4.217706 3.995276 5.426908 2.732899 3.541814 2.156662 4.101814 3.488184 4.900661 4.046716 1.091885 5.879258 5.122319 2.144985 5.079326 2.754008 3.313720 4.099630 4.500814 4.781004 4.799382 3.166258 2.507439 4.480456 5.083430 4.288194 3.714052 5.488535 4.708562 4.696395 0.000000 6.530918 3.114642 4.949550 5.147942 6.435272 2.847227 2.852159 2.177133 3.045049 2.761383 4.296147 4.329206 1.093641 4.882396 4.878634 2.140946 5.782310 3.407044 2.633139 4.568134 4.021329 6.036699 4.797408 2.266317 3.050971 3.061647 4.133769 3.809085 2.742566 5.005717 4.686761 5.003275 1.749831 0.000000 8.755653 0.971210 2.555935 2.047030 4.180671 1.953070 3.266466 2.785564 4.378701 4.147175 4.000763 2.479692 3.214474 5.420519 3.761065 4.472944 3.801301 4.749031 5.718258 6.116921 6.906157 3.265430 7.060545 3.426147 2.862283 5.175468 4.977373 4.561266 4.950374 4.288790 3.528312 2.665224 2.653110 3.732774 0.000000 12.044515 5.279270 6.552174 7.275669 8.711277 4.813217 3.484769 5.898879 4.036827 5.539234 2.178580 5.102425 6.510268 1.093599 2.709124 7.815990 7.545137 8.926342 8.149008 10.148258 9.468141 8.503724 10.377695 3.737359 6.799955 4.066300 3.804793 5.970924 6.221464 2.496830 4.985227 4.733560 6.836359 5.931378 6.102456 0.000000 10.671042 5.118069 6.135022 7.026411 8.186059 4.277075 2.804412 4.963504 2.694050 4.242162 2.200968 4.703584 5.605579 1.092323 3.480575 6.716593 6.961467 7.879684 6.872850 8.986693 8.112570 8.154360 9.076173 3.155082 5.903634 2.525421 2.414300 4.679038 4.772945 2.484900 4.356932 4.717345 6.182250 5.010169 5.963901 1.765071 0.000000 10.781631 4.628008 6.467611 7.059485 8.612369 4.252599 2.774032 5.084834 3.361964 4.812408 2.177323 5.061168 5.330246 1.095637 2.791570 6.584056 7.523023 7.807710 6.792334 8.993961 8.122455 8.302367 9.118707 2.543489 6.114999 3.095010 3.599161 5.523868 5.303141 3.057955 5.090905 4.955027 5.682384 4.564176 5.569199 1.766577 1.768934 0.000000 11.053971 2.481309 4.092148 4.248600 6.193821 2.877692 2.843447 4.417082 4.299717 5.053862 2.198636 3.039783 5.043142 3.481090 1.089228 6.532464 5.383761 7.238169 7.444995 8.617547 8.796669 5.556664 9.303028 3.133641 4.980387 4.958142 4.522265 5.472789 5.999185 2.532360 3.731687 2.317526 4.824558 4.954495 2.986868 3.724753 4.354253 3.800471 0.000000 12.257935 4.082723 5.556852 5.922584 7.702643 4.186709 3.511933 5.654790 4.759907 5.912225 2.172772 4.308434 6.267974 2.722054 1.094210 7.749355 6.749426 8.631225 8.453707 9.982847 9.831430 7.207577 10.511071 3.756155 6.369335 5.190238 4.755977 6.330104 6.801617 2.489333 4.660400 3.555214 6.214703 5.935605 4.717451 2.461977 3.718028 3.115535 1.774958 0.000000 11.064255 3.113144 5.434062 5.599961 7.572476 3.512251 2.828314 4.816130 4.271172 5.294885 2.173472 4.246369 5.037240 2.771446 1.094514 6.526814 6.721064 7.479957 7.198441 8.828594 8.592141 6.924314 9.308803 2.575166 5.641594 4.553015 4.671029 5.971189 6.041083 3.067432 4.793822 3.803342 4.888889 4.584311 3.918887 3.061472 3.799547 2.605245 1.751998 1.770217 0.000000 8.782586 4.937247 2.135993 3.234050 2.148883 4.020483 5.038762 3.944610 4.840910 4.049656 5.657009 2.881097 5.382774 6.890064 6.371891 5.863139 1.079242 5.750111 6.823357 6.608838 7.571787 3.152490 7.462977 5.944194 3.308811 5.870688 4.657120 3.242259 4.834497 5.061917 2.541951 3.584337 5.686706 6.119580 4.622712 7.508029 6.784336 7.588213 5.849895 7.017572 7.121104 0.000000 4.870348 4.416323 4.508176 4.224031 4.588651 4.335443 5.474311 3.159320 5.524319 4.244674 6.901373 5.043923 2.722683 7.973989 7.315123 2.153211 4.704583 1.085358 3.384859 2.139824 3.868512 4.254318 3.379695 5.441250 2.555611 6.018859 6.326654 4.572692 4.213388 7.190344 5.512336 5.934559 2.624575 3.754419 4.126111 8.954971 8.063015 7.960820 6.854791 8.380763 7.302761 5.279733 0.000000 4.871490 5.429742 6.628057 6.970023 7.705347 4.888627 4.749005 3.702009 4.176715 3.549838 6.186964 6.156199 2.745208 6.428437 7.053215 2.150533 7.100436 3.385236 1.085118 3.867838 2.142159 7.583991 3.378787 4.303214 4.285976 3.791848 5.134830 4.423759 2.731885 6.786295 6.213671 7.005279 3.600935 2.397032 5.931481 7.516455 6.203993 6.074193 7.242075 8.052939 6.779853 7.213872 4.287490 0.000000 2.864237 6.848305 6.648691 6.478644 6.221063 6.609226 7.573738 5.215191 7.269207 5.835081 9.071918 7.252340 4.682437 9.986405 9.650254 3.417770 6.487927 2.157335 3.865351 1.082600 3.398546 6.198406 2.149578 7.511053 4.622742 7.580488 8.025271 6.020566 5.410554 9.333292 7.512760 8.227741 4.826914 5.523206 6.597039 11.022938 9.903034 9.933383 9.267341 10.720446 9.611710 6.844257 2.473536 4.950388 0.000000 2.864459 7.543548 8.235781 8.528418 8.776601 6.985932 7.068540 5.561808 6.306816 5.351273 8.542300 8.066620 4.697232 8.802751 9.454937 3.417456 8.389565 3.865782 2.159976 3.399391 1.082603 8.823654 2.147587 6.734075 5.763540 5.968401 7.123859 5.908189 4.357139 9.026696 8.042100 9.031726 5.422125 4.708798 7.855379 9.891077 8.459325 8.498014 9.559097 10.467790 9.222600 8.426773 4.951077 2.475646 4.288326 0.000000 9.026505 4.704669 3.138340 2.104320 2.151055 4.976360 6.517435 5.037346 7.099357 6.236087 7.252753 4.480635 5.673292 8.753429 7.163922 6.145263 3.137846 5.502062 7.509747 6.412279 8.216980 1.079169 7.724871 6.944931 4.192196 8.054551 7.446549 6.068220 6.914687 7.097485 5.195294 4.809292 5.193566 6.636302 3.778360 9.378704 9.096225 9.117763 6.222331 7.929910 7.561807 4.165898 4.469008 8.167071 6.281469 9.284860 0.000000 C18H24ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.4061,-.2373,.3313;-2.1071,.1375,-1.675;-2.0665,2.2574,.4423;-1.893,2.8396,-.7732;-1.0435,4.1563,.8535;-1.8783,-.1203,-.2964;-2.3436,-1.5593,.0504;-.3693,-.1324,.0935;-1.5513,-1.908,1.3373;-.3525,-.9225,1.4163;-3.859,-1.8301,.158;-2.647,.9232,.5529;.509,-.778,-1.0017;-4.1113,-3.3014,.529;-4.6246,-1.4886,-1.1289;1.9823,-.6612,-.6926;-1.5458,3.0577,1.394;2.6331,.5739,-.8011;2.7301,-1.761,-.2638;3.9824,.7136,-.4916;4.0837,-1.6434,.0509;-1.2774,3.9743,-.471;4.6975,-.4021,-.0643;-1.9717,-2.1738,-.7778;-.0045,.8879,.2382;-1.2226,-2.9483,1.3234;-2.1931,-1.8032,2.2179;-.4692,-.2442,2.2662;.6008,-1.4314,1.5669;-4.2606,-1.2156,.9763;-2.6372,.6594,1.6108;-3.6821,.9694,.215;.2873,-.293,-1.9544;.2419,-1.8317,-1.1225;-1.975,1.0874,-1.8283;-5.1841,-3.5036,.5934;-3.664,-3.573,1.4878;-3.6946,-3.965,-.2369;-4.5055,-.447,-1.4241;-5.691,-1.6991,-1.0028;-4.2571,-2.0957,-1.9622;-1.5575,2.8049,2.4432;2.0771,1.4436,-1.1363;2.2528,-2.7316,-.1778;4.4768,1.6726,-.5817;4.6539,-2.5028,.3798;-.9957,4.6873,-1.2305; 0.3418260 0.1298390 0.1033587 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= 658 RedAO= T EigKep= 1.37D-06 NBF= 658 NBsUse= 656 1.00D-06 EigRej= 9.76D-07 NBFU= 656 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= 671 671 671 671 671 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1400.37573498584 -1400.37573498592 -0.000000000085 -1400.37573499 2 1.395134577596e+03 -7.474879468585e+03 2.581232046684e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773927493 LenY= 3773463051 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. PT1494S 2021-07-20T15:03:22.000 -101.55308 -19.12259 -14.42308 -14.36117 -14.32392 -10.25896 -10.24635 -10.24027 -10.23987 -10.23910 -10.19328 -10.19132 -10.19126 -10.18814 -10.18742 -10.18568 -10.18466 -10.18351 -10.17838 -10.17825 -10.17729 -10.16453 -10.15576 -9.46763 -7.23218 -7.22248 -7.22219 -1.10534 -1.03443 -0.92796 -0.89694 -0.87246 -0.85733 -0.84496 -0.80735 -0.77400 -0.76554 -0.75934 -0.72286 -0.70478 -0.68773 -0.66640 -0.65243 -0.63026 -0.62250 -0.60302 -0.59794 -0.58088 -0.56875 -0.54719 -0.52617 -0.51637 -0.50587 -0.49367 -0.48877 -0.47412 -0.47103 -0.46817 -0.45953 -0.44340 -0.44032 -0.43613 -0.43240 -0.42973 -0.41818 -0.41353 -0.40667 -0.39953 -0.39395 -0.38921 -0.37705 -0.37124 -0.36674 -0.36277 -0.35462 -0.34868 -0.34430 -0.33867 -0.33215 -0.32484 -0.32469 -0.31952 -0.31662 -0.30841 -0.30126 -0.28981 -0.27884 -0.27112 -0.24617 -0.03035 -0.02718 -0.02540 -0.01453 -0.00342 0.00085 0.00729 0.01130 0.01411 0.01749 0.02131 0.02680 0.02755 0.03260 0.03668 0.04096 0.04309 0.04914 0.05261 0.05414 0.05569 0.05872 0.06260 0.06591 0.06851 0.07116 0.07651 0.08102 0.08222 0.08598 0.08740 0.09185 0.09402 0.09981 0.10342 0.10844 0.10963 0.11311 0.11764 0.11930 0.12016 0.12234 0.12719 0.12912 0.13293 0.13457 0.13942 0.14081 0.14258 0.14591 0.14890 0.15017 0.15502 0.15999 0.16015 0.16236 0.16582 0.16789 0.17090 0.17263 0.17488 0.17756 0.18053 0.18252 0.18568 0.18795 0.18866 0.19152 0.19389 0.19670 0.19803 0.20100 0.20342 0.20635 0.20851 0.21023 0.21308 0.21476 0.21901 0.22116 0.22469 0.22694 0.22959 0.23257 0.23492 0.23843 0.23922 0.24320 0.24423 0.24644 0.24837 0.25122 0.25329 0.25746 0.25863 0.25968 0.26578 0.27029 0.27261 0.27525 0.27875 0.27962 0.28224 0.28634 0.28749 0.28833 0.29162 0.29405 0.29711 0.30068 0.30171 0.30805 0.31266 0.31646 0.31734 0.32184 0.32540 0.33119 0.33346 0.33762 0.33933 0.34268 0.34855 0.35036 0.35269 0.35714 0.36566 0.36977 0.37634 0.38014 0.38913 0.39116 0.39459 0.40930 0.41561 0.42074 0.42392 0.42965 0.43429 0.43968 0.44339 0.44856 0.45560 0.46107 0.46846 0.46998 0.47800 0.48901 0.49515 0.50446 0.51047 0.51298 0.52600 0.52768 0.53636 0.54023 0.54577 0.55020 0.55420 0.56460 0.56718 0.57172 0.57756 0.58005 0.58316 0.59413 0.59618 0.59961 0.60971 0.61411 0.61792 0.62326 0.62512 0.63113 0.63895 0.64550 0.65203 0.65634 0.66173 0.66539 0.66815 0.67021 0.67655 0.67823 0.68335 0.68979 0.69109 0.69697 0.70509 0.70593 0.70854 0.71265 0.71503 0.72043 0.72407 0.72715 0.73076 0.73499 0.74002 0.74338 0.75420 0.75611 0.76226 0.76710 0.76934 0.77629 0.77796 0.78357 0.78744 0.79215 0.79784 0.80860 0.81264 0.81976 0.83168 0.83579 0.83654 0.84617 0.85290 0.85974 0.86337 0.86745 0.86970 0.87286 0.87667 0.88337 0.89231 0.89658 0.90506 0.90908 0.91775 0.92886 0.93754 0.94564 0.95478 0.96046 0.96346 0.96915 0.98357 0.99121 1.00049 1.00680 1.01798 1.02085 1.03440 1.04176 1.05604 1.05957 1.07317 1.07538 1.08066 1.08712 1.09808 1.10903 1.11324 1.12954 1.13436 1.15055 1.15901 1.16963 1.18693 1.19085 1.19954 1.22255 1.22971 1.24354 1.25157 1.25506 1.26288 1.27918 1.28456 1.29486 1.30336 1.31546 1.32283 1.33367 1.35076 1.35200 1.35919 1.37678 1.38107 1.40485 1.41484 1.42530 1.44025 1.44496 1.45964 1.46865 1.47457 1.48498 1.49548 1.49974 1.50623 1.51041 1.52455 1.52942 1.54239 1.54928 1.55248 1.55507 1.56211 1.56885 1.57170 1.58270 1.59035 1.59331 1.60992 1.60997 1.61835 1.62881 1.63627 1.63993 1.64131 1.64621 1.65227 1.66165 1.66714 1.67115 1.68053 1.68990 1.69358 1.69832 1.70321 1.71422 1.72060 1.73197 1.73745 1.74173 1.75403 1.75818 1.76022 1.77068 1.77443 1.77972 1.79016 1.80571 1.81113 1.81522 1.82416 1.83219 1.84063 1.84463 1.85218 1.86128 1.87112 1.87311 1.88037 1.89543 1.89957 1.91001 1.91802 1.92641 1.92943 1.94237 1.94363 1.94564 1.96363 1.97191 1.97271 1.97765 1.99016 1.99842 2.02097 2.02849 2.04048 2.05556 2.05914 2.07369 2.08202 2.09815 2.10088 2.11404 2.12523 2.13883 2.14485 2.15394 2.16504 2.17146 2.18117 2.20536 2.21537 2.22552 2.23677 2.24142 2.25449 2.26381 2.26925 2.27046 2.28705 2.31230 2.31548 2.32272 2.33184 2.34056 2.35294 2.36559 2.36989 2.39176 2.39362 2.40038 2.40363 2.41371 2.42201 2.43816 2.43861 2.45002 2.46085 2.46435 2.47973 2.49761 2.50685 2.51720 2.52465 2.53504 2.53951 2.55065 2.55654 2.56526 2.57082 2.58298 2.59026 2.60146 2.60701 2.61525 2.62358 2.62730 2.63470 2.64036 2.65958 2.66776 2.67366 2.68016 2.68413 2.69475 2.69896 2.70557 2.71536 2.72755 2.74059 2.75154 2.75604 2.76185 2.76677 2.77276 2.77918 2.79455 2.80749 2.81250 2.82721 2.83185 2.83451 2.85124 2.85412 2.87853 2.89059 2.89310 2.90233 2.91212 2.91730 2.92015 2.92711 2.93579 2.94023 2.95094 2.95274 2.96594 2.96865 2.99591 3.01472 3.04189 3.05607 3.06719 3.09921 3.10474 3.10769 3.11676 3.12233 3.13581 3.16942 3.17628 3.18400 3.19653 3.20713 3.21511 3.27753 3.28999 3.30681 3.32211 3.34174 3.36790 3.40141 3.41809 3.47312 3.49724 3.52699 3.55169 3.55297 3.59192 3.60336 3.64562 3.67410 3.68232 3.70267 3.78042 3.79319 3.80744 3.81409 3.81504 3.83453 3.84106 3.84859 3.88055 3.92107 3.92986 3.93835 3.98152 3.98887 4.01444 4.07371 4.08352 4.12608 4.13989 4.14985 4.15484 4.20866 4.24654 4.29124 4.33899 4.37420 4.39319 4.43545 4.46317 4.65572 4.80176 4.83620 5.08246 5.22912 5.42423 5.48903 5.71006 9.78272 23.55419 23.76939 23.83235 23.84678 23.87054 23.89710 23.92055 23.92717 23.93537 23.95533 23.95724 23.96837 23.97697 23.98868 24.00191 24.06860 24.09334 24.17262 25.83798 26.11559 26.60902 35.46923 35.52451 35.66826 50.00747 215.77407 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 0.392326 -0.142318 0.093967 -0.098875 -0.128499 0.263943 0.501786 -0.133010 -0.498901 -0.814217 0.069025 -0.931895 -0.424507 -0.525575 -0.522063 0.593631 -0.006882 -0.251525 -0.379228 -0.634054 -0.731234 -0.089251 0.646437 0.175345 0.189553 0.164652 0.154266 0.161624 0.170633 0.126440 0.158300 0.206245 0.181277 0.130757 0.250814 0.141053 0.139833 0.142121 0.154207 0.129525 0.145721 0.139975 0.132853 0.120062 0.146860 0.145381 0.143421 -0.00000 -2.9004 -1.6562 1.7054 3.7502 -161.2517 -151.2107 -148.7168 0.2476 -8.1665 -5.6568 -7.5253 2.5157 5.0096 0.2476 -8.1665 -5.6568 -108.9378 -55.5210 13.8346 24.1940 7.3897 18.8282 -7.0108 14.8387 -36.1325 -9.9487 -10131.5962 -3799.0129 -836.1271 15.4118 -26.6170 -13.3957 -197.1933 -7.3838 9.3599 -2144.7463 -1790.8974 -726.4133 -12.2956 25.0624 -16.2364 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS24 PAULAPLA 2021-07-20T00:00:00.000 0 Wavefunction ipconazole_RSS CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1400.375735 RMSD=7.216e-09 Dipole=-1.3569331,-0.1612388,0.5564554 Quadrupole=-2.9381234,0.5881833,2.34994,3.9649684,-7.3859024,-1.1830069 PG=C01 [X(C18H24Cl1N3O1)] 0 5.4929817062 -3.0507835106 0.4076640837 0 -1.8583446734 1.219437565 -1.681546477 0 -1.0696165575 2.8540731341 0.7026562979 0 -0.5726684449 3.4366582924 -0.4199286265 0 0.6358474962 4.0574869037 1.3844123337 0 -1.8659919075 0.7328584225 -0.3463959199 0 -2.9286180194 -0.388922214 -0.2052751092 0 -0.5422400737 0.020553843 0.0652108306 0 -2.4614443974 -1.1917392573 1.0368484072 0 -0.9651800531 -0.8427161634 1.2693854007 0 -4.4167892195 0.016914459 -0.1622676701 0 -2.1732157132 1.902805419 0.6220089834 0 0.0527711555 -0.8139359623 -1.0912096821 0 -5.3033827886 -1.2293019542 0.0023573053 0 -4.8631717982 0.8015747428 -1.4047676871 0 1.4058796073 -1.3863773804 -0.7428938204 0 -0.3283508129 3.2337566588 1.7628084853 0 2.5301292343 -0.5545272117 -0.6722459333 0 1.5746903849 -2.7428704174 -0.4530915658 0 3.7814005459 -1.0525293137 -0.322693696 0 2.8198855161 -3.2630681091 -0.1012579188 0 0.4460494809 4.1473862181 0.0435286663 0 3.9139240222 -2.408840352 -0.0370124939 0 -2.7959593713 -1.0054534166 -1.1020074138 0 0.2134069689 0.7563887396 0.3526182225 0 -2.6111825433 -2.2622593362 0.888591163 0 -3.0597407725 -0.9187556802 1.9118915494 0 -0.8424130836 -0.2827955852 2.2008154875 0 -0.3369392566 -1.7294761194 1.3669924682 0 -4.5755390545 0.6474550667 0.7241665648 0 -2.3566572701 1.5427454886 1.634627608 0 -3.0597527205 2.4332627138 0.2749915365 0 0.1327328384 -0.1758960011 -1.9736633474 0 -0.630967631 -1.6248028963 -1.3577569923 0 -1.3200501949 2.0275398574 -1.7029473537 0 -6.3605579616 -0.9499521481 0.01978123 0 -5.0890247268 -1.7756154969 0.9236397327 0 -5.1561291086 -1.9161984361 -0.8384217979 0 -4.2866574457 1.7134884852 -1.5546412772 0 -5.9226917337 1.0637173003 -1.3273417312 0 -4.7308127907 0.1941925269 -2.3056162783 0 -0.5257991489 2.89374855 2.7678815798 0 2.4281697797 0.5024052397 -0.8969678923 0 0.7218037648 -3.4115479522 -0.507278688 0 4.6448000224 -0.4012442991 -0.2737914176 0 2.9395148881 -4.3162905402 0.1188354825 0 1.0625163979 4.7477956736 -0.6076881313 Gaussian 16 20-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C18H24ClN3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.493,-3.0508,.4077;-1.8583,1.2194,-1.6815;-1.0696,2.8541,.7027;-.5727,3.4367,-.4199;.6358,4.0575,1.3844;-1.866,.7329,-.3464;-2.9286,-.3889,-.2053;-.5422,.0206,.0652;-2.4614,-1.1917,1.0368;-.9652,-.8427,1.2694;-4.4168,.0169,-.1623;-2.1732,1.9028,.622;.0528,-.8139,-1.0912;-5.3034,-1.2293,.0024;-4.8632,.8016,-1.4048;1.4059,-1.3864,-.7429;-.3284,3.2338,1.7628;2.5301,-.5545,-.6722;1.5747,-2.7429,-.4531;3.7814,-1.0525,-.3227;2.8199,-3.2631,-.1013;.446,4.1474,.0435;3.9139,-2.4088,-.037;-2.796,-1.0055,-1.102;.2134,.7564,.3526;-2.6112,-2.2623,.8886;-3.0597,-.9188,1.9119;-.8424,-.2828,2.2008;-.3369,-1.7295,1.367;-4.5755,.6475,.7242;-2.3567,1.5427,1.6346;-3.0598,2.4333,.275;.1327,-.1759,-1.9737;-.631,-1.6248,-1.3578;-1.32,2.0275,-1.7029;-6.3606,-.95,.0198;-5.089,-1.7756,.9236;-5.1561,-1.9162,-.8384;-4.2867,1.7135,-1.5546;-5.9227,1.0637,-1.3273;-4.7308,.1942,-2.3056;-.5258,2.8937,2.7679;2.4282,.5024,-.897;.7218,-3.4115,-.5073;4.6448,-.4012,-.2738;2.9395,-4.3163,.1188;1.0625,4.7478,-.6077; oldchk=/home/paulapla/almacen/ADAMA/censo_results/ipconazole_RSS/gas/CONF12/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum ipconazole_RSS CONF12 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 681 A 658 A 658 1037 681 89 89 2098.1948703579 47 47 47 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=131 Grimme-D3 -0.0577610390 0.000000 8.754518 0.000000 8.833009 2.996423 0.000000 8.919861 2.856696 1.358882 0.000000 8.664485 4.865760 2.195815 2.258669 0.000000 8.308974 1.421072 2.496853 2.998104 4.506446 0.000000 8.853505 2.431395 3.846719 4.497960 5.916340 1.551606 0.000000 6.780434 2.494116 2.951829 3.450515 4.407381 1.558562 2.436315 0.000000 8.192973 3.683364 4.291558 5.206893 6.104784 2.443769 1.551012 2.469226 0.000000 6.879388 3.709207 3.741436 4.617455 5.156405 2.429948 2.497127 1.540828 1.553930 0.000000 10.389377 3.209347 4.472262 5.151534 6.651886 2.655757 1.543116 3.881223 2.592701 3.834345 0.000000 9.129872 2.423325 1.459228 2.449508 3.621429 1.549507 2.550891 2.552053 3.135502 3.068605 3.034023 0.000000 6.070091 2.852274 4.234619 4.348488 5.495402 2.574679 3.139140 1.545225 3.315516 2.570887 4.640066 3.907790 0.000000 10.956439 4.549741 5.923609 6.658015 8.070605 3.973331 2.527619 4.922862 3.024599 4.535947 1.538247 4.471243 5.482408 0.000000 11.197120 3.046342 4.800526 5.130496 6.972783 3.179302 2.568767 4.630473 3.962712 5.004910 1.535824 3.543501 5.184080 2.509631 0.000000 4.560530 4.280946 5.118507 5.223086 5.895256 3.918356 4.480159 2.535283 4.261638 3.157017 6.017460 5.048921 1.509939 6.752353 6.672797 0.000000 8.672933 4.273400 1.348168 2.205720 1.323402 3.614910 4.874274 3.640365 4.966097 4.155316 5.547010 2.544874 4.967342 6.911514 6.042652 5.534595 0.000000 4.021939 4.839870 5.144617 5.061678 5.393405 4.592322 5.481187 3.211544 5.314400 4.008762 6.989013 5.462145 2.525891 7.891408 7.552251 1.400322 5.333994 0.000000 4.023521 5.384674 6.297133 6.542081 7.106526 4.891868 5.087462 3.519452 4.573436 3.609495 6.602940 6.065059 2.538547 7.057352 7.410455 1.397339 6.652206 2.397861 0.000000 2.730559 6.230172 6.312310 6.254612 6.238668 5.922940 6.743776 4.471671 6.390684 5.010865 8.269206 6.714456 3.814475 9.092315 8.907144 2.435390 6.293777 1.391356 2.782773 0.000000 2.729379 6.669033 7.293416 7.516469 7.782529 6.163195 6.427817 4.702528 5.786029 4.697179 7.945531 7.220833 3.825595 8.374630 8.789188 2.435791 7.456197 2.783196 1.394598 2.420749 0.000000 8.798737 4.105971 2.098655 1.325788 1.357230 4.142050 5.659362 4.243575 6.160070 5.328735 6.383600 3.497618 5.104607 7.871877 6.440485 5.671179 2.095313 5.192659 6.999721 6.188522 7.782730 0.000000 1.761605 7.013414 7.285674 7.378753 7.387802 6.585850 7.136439 5.076397 6.578741 5.288202 8.677601 7.488516 4.308544 9.292556 9.445366 2.798926 7.285270 2.399351 2.399315 1.392392 1.389515 7.417328 0.000000 8.670007 2.482967 4.597066 5.014041 6.602495 2.111283 1.096284 2.737579 2.172857 3.000290 2.134347 3.437734 2.855181 2.748982 2.762315 4.234326 5.680419 5.362392 4.747872 6.623535 6.134822 6.194726 6.937308 0.000000 6.509339 2.940135 2.483738 2.898032 3.484294 2.193872 3.390472 1.093187 3.379083 2.187845 4.717059 2.661355 2.139243 5.873723 5.372346 2.685812 2.901636 2.852376 3.840192 4.056946 4.812044 3.412993 4.885111 3.778400 0.000000 8.156625 4.392560 5.346761 6.192368 7.122376 3.324339 2.192419 3.188999 1.091061 2.206679 3.091788 4.196504 3.621312 3.016679 4.440499 4.423313 6.015128 5.637876 4.421836 6.617838 5.610519 7.151528 6.592059 2.361395 4.168670 0.000000 8.941885 4.350634 4.433631 5.531053 6.220820 3.041830 2.186392 3.260420 1.094614 2.192209 2.649376 3.226597 4.326354 2.962548 4.148750 5.216160 4.972532 6.169042 5.513483 7.198089 6.642182 6.437945 7.392603 3.026662 3.993863 1.747384 0.000000 7.142435 4.285039 3.483683 4.558004 4.657233 2.927038 3.186344 2.177827 2.191406 1.093684 4.295364 3.006745 3.452665 5.062543 5.508411 3.864989 3.580817 4.438734 4.351733 5.323555 5.252999 5.093185 5.670157 3.904768 2.368648 2.961208 2.324750 0.000000 6.054266 4.506036 4.689039 5.471526 5.868182 3.367015 3.314500 2.190751 2.216231 1.091126 4.694006 4.137678 2.651951 5.174743 5.880107 2.758035 4.978998 3.709323 2.827367 4.502668 3.804367 6.074713 4.527980 3.559066 2.740686 2.384305 2.892720 1.744606 0.000000 10.730902 3.673930 4.142598 5.011146 6.262810 2.914626 2.156453 4.134577 2.819539 3.943674 1.099340 2.712471 5.181941 2.138453 2.153798 6.485839 5.079994 7.340657 7.120784 8.592107 8.406297 6.158664 9.054906 3.038737 4.804573 3.514565 2.482207 4.120933 4.901913 0.000000 9.177297 3.368954 2.060249 3.315226 3.916838 2.195706 2.728318 2.841170 2.801023 2.785684 3.130677 1.090271 4.334684 4.362539 4.008725 5.328138 2.643856 5.796628 6.179043 6.945669 7.273633 4.143780 7.598000 3.765033 2.977774 3.885797 2.574915 2.438464 3.854650 2.560063 0.000000 10.160789 2.597074 2.078610 2.770434 4.186452 2.168539 2.865760 3.493285 3.752204 4.013489 2.805616 1.089841 4.700916 4.303787 2.955726 5.963859 3.211689 6.408660 6.985737 7.701257 8.195114 3.909277 8.495615 3.713554 3.678520 4.756642 3.730344 4.000296 5.092600 2.385052 1.770868 0.000000 6.532072 2.448811 4.217706 3.995276 5.426908 2.732899 3.541814 2.156662 4.101814 3.488184 4.900661 4.046716 1.091885 5.879258 5.122319 2.144985 5.079326 2.754008 3.313720 4.099630 4.500814 4.781004 4.799382 3.166258 2.507439 4.480456 5.083430 4.288194 3.714052 5.488535 4.708562 4.696395 0.000000 6.530918 3.114642 4.949550 5.147942 6.435272 2.847227 2.852159 2.177133 3.045049 2.761383 4.296147 4.329206 1.093641 4.882396 4.878634 2.140946 5.782310 3.407044 2.633139 4.568134 4.021329 6.036699 4.797408 2.266317 3.050971 3.061647 4.133769 3.809085 2.742566 5.005717 4.686761 5.003275 1.749831 0.000000 8.755653 0.971210 2.555935 2.047030 4.180671 1.953070 3.266466 2.785564 4.378701 4.147175 4.000763 2.479692 3.214474 5.420519 3.761065 4.472944 3.801301 4.749031 5.718258 6.116921 6.906157 3.265430 7.060545 3.426147 2.862283 5.175468 4.977373 4.561266 4.950374 4.288790 3.528312 2.665224 2.653110 3.732774 0.000000 12.044515 5.279270 6.552174 7.275669 8.711277 4.813217 3.484769 5.898879 4.036827 5.539234 2.178580 5.102425 6.510268 1.093599 2.709124 7.815990 7.545137 8.926342 8.149008 10.148258 9.468141 8.503724 10.377695 3.737359 6.799955 4.066300 3.804793 5.970924 6.221464 2.496830 4.985227 4.733560 6.836359 5.931378 6.102456 0.000000 10.671042 5.118069 6.135022 7.026411 8.186059 4.277075 2.804412 4.963504 2.694050 4.242162 2.200968 4.703584 5.605579 1.092323 3.480575 6.716593 6.961467 7.879684 6.872850 8.986693 8.112570 8.154360 9.076173 3.155082 5.903634 2.525421 2.414300 4.679038 4.772945 2.484900 4.356932 4.717345 6.182250 5.010169 5.963901 1.765071 0.000000 10.781631 4.628008 6.467611 7.059485 8.612369 4.252599 2.774032 5.084834 3.361964 4.812408 2.177323 5.061168 5.330246 1.095637 2.791570 6.584056 7.523023 7.807710 6.792334 8.993961 8.122455 8.302367 9.118707 2.543489 6.114999 3.095010 3.599161 5.523868 5.303141 3.057955 5.090905 4.955027 5.682384 4.564176 5.569199 1.766577 1.768934 0.000000 11.053971 2.481309 4.092148 4.248600 6.193821 2.877692 2.843447 4.417082 4.299717 5.053862 2.198636 3.039783 5.043142 3.481090 1.089228 6.532464 5.383761 7.238169 7.444995 8.617547 8.796669 5.556664 9.303028 3.133641 4.980387 4.958142 4.522265 5.472789 5.999185 2.532360 3.731687 2.317526 4.824558 4.954495 2.986868 3.724753 4.354253 3.800471 0.000000 12.257935 4.082723 5.556852 5.922584 7.702643 4.186709 3.511933 5.654790 4.759907 5.912225 2.172772 4.308434 6.267974 2.722054 1.094210 7.749355 6.749426 8.631225 8.453707 9.982847 9.831430 7.207577 10.511071 3.756155 6.369335 5.190238 4.755977 6.330104 6.801617 2.489333 4.660400 3.555214 6.214703 5.935605 4.717451 2.461977 3.718028 3.115535 1.774958 0.000000 11.064255 3.113144 5.434062 5.599961 7.572476 3.512251 2.828314 4.816130 4.271172 5.294885 2.173472 4.246369 5.037240 2.771446 1.094514 6.526814 6.721064 7.479957 7.198441 8.828594 8.592141 6.924314 9.308803 2.575166 5.641594 4.553015 4.671029 5.971189 6.041083 3.067432 4.793822 3.803342 4.888889 4.584311 3.918887 3.061472 3.799547 2.605245 1.751998 1.770217 0.000000 8.782586 4.937247 2.135993 3.234050 2.148883 4.020483 5.038762 3.944610 4.840910 4.049656 5.657009 2.881097 5.382774 6.890064 6.371891 5.863139 1.079242 5.750111 6.823357 6.608838 7.571787 3.152490 7.462977 5.944194 3.308811 5.870688 4.657120 3.242259 4.834497 5.061917 2.541951 3.584337 5.686706 6.119580 4.622712 7.508029 6.784336 7.588213 5.849895 7.017572 7.121104 0.000000 4.870348 4.416323 4.508176 4.224031 4.588651 4.335443 5.474311 3.159320 5.524319 4.244674 6.901373 5.043923 2.722683 7.973989 7.315123 2.153211 4.704583 1.085358 3.384859 2.139824 3.868512 4.254318 3.379695 5.441250 2.555611 6.018859 6.326654 4.572692 4.213388 7.190344 5.512336 5.934559 2.624575 3.754419 4.126111 8.954971 8.063015 7.960820 6.854791 8.380763 7.302761 5.279733 0.000000 4.871490 5.429742 6.628057 6.970023 7.705347 4.888627 4.749005 3.702009 4.176715 3.549838 6.186964 6.156199 2.745208 6.428437 7.053215 2.150533 7.100436 3.385236 1.085118 3.867838 2.142159 7.583991 3.378787 4.303214 4.285976 3.791848 5.134830 4.423759 2.731885 6.786295 6.213671 7.005279 3.600935 2.397032 5.931481 7.516455 6.203993 6.074193 7.242075 8.052939 6.779853 7.213872 4.287490 0.000000 2.864237 6.848305 6.648691 6.478644 6.221063 6.609226 7.573738 5.215191 7.269207 5.835081 9.071918 7.252340 4.682437 9.986405 9.650254 3.417770 6.487927 2.157335 3.865351 1.082600 3.398546 6.198406 2.149578 7.511053 4.622742 7.580488 8.025271 6.020566 5.410554 9.333292 7.512760 8.227741 4.826914 5.523206 6.597039 11.022938 9.903034 9.933383 9.267341 10.720446 9.611710 6.844257 2.473536 4.950388 0.000000 2.864459 7.543548 8.235781 8.528418 8.776601 6.985932 7.068540 5.561808 6.306816 5.351273 8.542300 8.066620 4.697232 8.802751 9.454937 3.417456 8.389565 3.865782 2.159976 3.399391 1.082603 8.823654 2.147587 6.734075 5.763540 5.968401 7.123859 5.908189 4.357139 9.026696 8.042100 9.031726 5.422125 4.708798 7.855379 9.891077 8.459325 8.498014 9.559097 10.467790 9.222600 8.426773 4.951077 2.475646 4.288326 0.000000 9.026505 4.704669 3.138340 2.104320 2.151055 4.976360 6.517435 5.037346 7.099357 6.236087 7.252753 4.480635 5.673292 8.753429 7.163922 6.145263 3.137846 5.502062 7.509747 6.412279 8.216980 1.079169 7.724871 6.944931 4.192196 8.054551 7.446549 6.068220 6.914687 7.097485 5.195294 4.809292 5.193566 6.636302 3.778360 9.378704 9.096225 9.117763 6.222331 7.929910 7.561807 4.165898 4.469008 8.167071 6.281469 9.284860 0.000000 C18H24ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.4061,-.2373,.3313;-2.1071,.1375,-1.675;-2.0665,2.2574,.4423;-1.893,2.8396,-.7732;-1.0435,4.1563,.8535;-1.8783,-.1203,-.2964;-2.3436,-1.5593,.0504;-.3693,-.1324,.0935;-1.5513,-1.908,1.3373;-.3525,-.9225,1.4163;-3.859,-1.8301,.158;-2.647,.9232,.5529;.509,-.778,-1.0017;-4.1113,-3.3014,.529;-4.6246,-1.4886,-1.1289;1.9823,-.6612,-.6926;-1.5458,3.0577,1.394;2.6331,.5739,-.8011;2.7301,-1.761,-.2638;3.9824,.7136,-.4916;4.0837,-1.6434,.0509;-1.2774,3.9743,-.471;4.6975,-.4021,-.0643;-1.9717,-2.1738,-.7778;-.0045,.8879,.2382;-1.2226,-2.9483,1.3234;-2.1931,-1.8032,2.2179;-.4692,-.2442,2.2662;.6008,-1.4314,1.5669;-4.2606,-1.2156,.9763;-2.6372,.6594,1.6108;-3.6821,.9694,.215;.2873,-.293,-1.9544;.2419,-1.8317,-1.1225;-1.975,1.0874,-1.8283;-5.1841,-3.5036,.5934;-3.664,-3.573,1.4878;-3.6946,-3.965,-.2369;-4.5055,-.447,-1.4241;-5.691,-1.6991,-1.0028;-4.2571,-2.0957,-1.9622;-1.5575,2.8049,2.4432;2.0771,1.4436,-1.1363;2.2528,-2.7316,-.1778;4.4768,1.6726,-.5817;4.6539,-2.5028,.3798;-.9957,4.6873,-1.2305; 0.3418260 0.1298390 0.1033587 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= 658 RedAO= T EigKep= 1.37D-06 NBF= 658 NBsUse= 656 1.00D-06 EigRej= 9.76D-07 NBFU= 656 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= 671 671 671 671 671 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1400.37573498584 -1400.37573498611 -0.000000000276 -1400.37573499 2 1.395134577596e+03 -7.474879468585e+03 2.581232046684e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773927493 LenY= 3773463051 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. 1 Singlet-A 5.0342 246.28 0.0071 0.000 88 90 0.13011 88 92 0.30950 89 90 0.58541 89 92 -0.17644 -1400.19073198 2 Singlet-A 5.4800 226.25 0.0052 0.000 89 91 0.69397 3 Singlet-A 5.5665 222.73 0.1856 0.000 88 90 -0.26393 89 90 0.21611 89 92 0.60977 4 Singlet-A 5.7192 216.79 0.0008 0.000 89 93 0.52757 89 94 0.37809 89 95 0.18371 5 Singlet-A 5.9442 208.58 0.0053 0.000 89 93 -0.44361 89 94 0.45075 89 96 -0.11240 89 97 0.12310 89 98 0.18641 89 99 -0.11883 6 Singlet-A 6.0628 204.50 0.0082 0.000 85 91 -0.20867 87 91 0.55879 88 91 0.34670 7 Singlet-A 6.1006 203.23 0.0052 0.000 84 91 -0.13211 85 91 0.62962 86 91 -0.13622 87 91 0.13752 88 91 0.15375 8 Singlet-A 6.1377 202.00 0.0007 0.000 89 94 -0.28633 89 95 0.55355 89 96 -0.21537 89 98 0.16420 9 Singlet-A 6.1652 201.10 0.0224 0.000 87 90 0.63471 88 90 0.19585 88 92 0.15686 89 90 -0.10330 10 Singlet-A 6.2067 199.76 0.0007 0.000 87 91 -0.30891 88 91 0.49639 88 92 -0.10832 89 94 -0.10447 89 95 -0.13632 89 98 0.28482 PT52603S 2021-07-20T15:58:12.000 -101.55308 -19.12259 -14.42308 -14.36117 -14.32392 -10.25896 -10.24635 -10.24027 -10.23987 -10.23910 -10.19328 -10.19132 -10.19126 -10.18814 -10.18742 -10.18568 -10.18466 -10.18351 -10.17838 -10.17825 -10.17729 -10.16453 -10.15576 -9.46763 -7.23218 -7.22248 -7.22219 -1.10534 -1.03443 -0.92796 -0.89694 -0.87246 -0.85733 -0.84496 -0.80735 -0.77400 -0.76554 -0.75934 -0.72286 -0.70478 -0.68773 -0.66640 -0.65243 -0.63026 -0.62250 -0.60302 -0.59794 -0.58088 -0.56875 -0.54719 -0.52617 -0.51637 -0.50587 -0.49367 -0.48877 -0.47412 -0.47103 -0.46817 -0.45953 -0.44340 -0.44032 -0.43613 -0.43240 -0.42973 -0.41818 -0.41353 -0.40667 -0.39953 -0.39395 -0.38921 -0.37705 -0.37124 -0.36674 -0.36277 -0.35462 -0.34868 -0.34430 -0.33867 -0.33215 -0.32484 -0.32469 -0.31952 -0.31662 -0.30841 -0.30126 -0.28981 -0.27884 -0.27112 -0.24617 -0.03035 -0.02718 -0.02540 -0.01453 -0.00342 0.00085 0.00729 0.01130 0.01411 0.01749 0.02131 0.02680 0.02755 0.03260 0.03668 0.04096 0.04309 0.04914 0.05261 0.05414 0.05569 0.05872 0.06260 0.06591 0.06851 0.07116 0.07651 0.08102 0.08222 0.08598 0.08740 0.09185 0.09402 0.09981 0.10342 0.10844 0.10963 0.11311 0.11764 0.11930 0.12016 0.12234 0.12719 0.12912 0.13293 0.13457 0.13942 0.14081 0.14258 0.14591 0.14890 0.15017 0.15502 0.15999 0.16015 0.16236 0.16582 0.16789 0.17090 0.17263 0.17488 0.17756 0.18053 0.18252 0.18568 0.18795 0.18866 0.19152 0.19389 0.19670 0.19803 0.20100 0.20342 0.20635 0.20851 0.21023 0.21308 0.21476 0.21901 0.22116 0.22469 0.22694 0.22959 0.23257 0.23492 0.23843 0.23922 0.24320 0.24423 0.24644 0.24837 0.25122 0.25329 0.25746 0.25863 0.25968 0.26578 0.27029 0.27261 0.27525 0.27875 0.27962 0.28224 0.28634 0.28749 0.28833 0.29162 0.29405 0.29711 0.30068 0.30171 0.30805 0.31266 0.31646 0.31734 0.32184 0.32540 0.33119 0.33346 0.33762 0.33933 0.34268 0.34855 0.35036 0.35269 0.35714 0.36566 0.36977 0.37634 0.38014 0.38913 0.39116 0.39459 0.40930 0.41561 0.42074 0.42392 0.42965 0.43429 0.43968 0.44339 0.44856 0.45560 0.46107 0.46846 0.46998 0.47800 0.48901 0.49515 0.50446 0.51047 0.51298 0.52600 0.52768 0.53636 0.54023 0.54577 0.55020 0.55420 0.56460 0.56718 0.57172 0.57756 0.58005 0.58316 0.59413 0.59618 0.59961 0.60971 0.61411 0.61792 0.62326 0.62512 0.63113 0.63895 0.64550 0.65203 0.65634 0.66173 0.66539 0.66815 0.67021 0.67655 0.67823 0.68335 0.68979 0.69109 0.69697 0.70509 0.70593 0.70854 0.71265 0.71503 0.72043 0.72407 0.72715 0.73076 0.73499 0.74002 0.74338 0.75420 0.75611 0.76226 0.76710 0.76934 0.77629 0.77796 0.78357 0.78744 0.79215 0.79784 0.80860 0.81264 0.81976 0.83168 0.83579 0.83654 0.84617 0.85290 0.85974 0.86337 0.86745 0.86970 0.87286 0.87667 0.88337 0.89231 0.89658 0.90506 0.90908 0.91775 0.92886 0.93754 0.94564 0.95478 0.96046 0.96346 0.96915 0.98357 0.99121 1.00049 1.00680 1.01798 1.02085 1.03440 1.04176 1.05604 1.05957 1.07317 1.07538 1.08066 1.08712 1.09808 1.10903 1.11324 1.12954 1.13436 1.15055 1.15901 1.16963 1.18693 1.19085 1.19954 1.22255 1.22971 1.24354 1.25157 1.25506 1.26288 1.27918 1.28456 1.29486 1.30336 1.31546 1.32283 1.33367 1.35076 1.35200 1.35919 1.37678 1.38107 1.40485 1.41484 1.42530 1.44025 1.44496 1.45964 1.46865 1.47457 1.48498 1.49548 1.49974 1.50623 1.51041 1.52455 1.52942 1.54239 1.54928 1.55248 1.55507 1.56211 1.56885 1.57170 1.58270 1.59035 1.59331 1.60992 1.60997 1.61835 1.62881 1.63627 1.63993 1.64131 1.64621 1.65227 1.66165 1.66714 1.67115 1.68053 1.68990 1.69358 1.69832 1.70321 1.71422 1.72060 1.73197 1.73745 1.74173 1.75403 1.75818 1.76022 1.77068 1.77443 1.77972 1.79016 1.80571 1.81113 1.81522 1.82416 1.83219 1.84063 1.84463 1.85218 1.86128 1.87112 1.87311 1.88037 1.89543 1.89957 1.91001 1.91802 1.92641 1.92943 1.94237 1.94363 1.94564 1.96363 1.97191 1.97271 1.97765 1.99016 1.99842 2.02097 2.02849 2.04048 2.05556 2.05914 2.07369 2.08202 2.09815 2.10088 2.11404 2.12523 2.13883 2.14485 2.15394 2.16504 2.17146 2.18117 2.20536 2.21537 2.22552 2.23677 2.24142 2.25449 2.26381 2.26925 2.27046 2.28705 2.31230 2.31548 2.32272 2.33184 2.34056 2.35294 2.36559 2.36989 2.39176 2.39362 2.40038 2.40363 2.41371 2.42201 2.43816 2.43861 2.45002 2.46085 2.46435 2.47973 2.49761 2.50685 2.51720 2.52465 2.53504 2.53951 2.55065 2.55654 2.56526 2.57082 2.58298 2.59026 2.60146 2.60701 2.61525 2.62358 2.62730 2.63470 2.64036 2.65958 2.66776 2.67366 2.68016 2.68413 2.69475 2.69896 2.70557 2.71536 2.72755 2.74059 2.75154 2.75604 2.76185 2.76677 2.77276 2.77918 2.79455 2.80749 2.81250 2.82721 2.83185 2.83451 2.85124 2.85412 2.87853 2.89059 2.89310 2.90233 2.91212 2.91730 2.92015 2.92711 2.93579 2.94023 2.95094 2.95274 2.96594 2.96865 2.99591 3.01472 3.04189 3.05607 3.06719 3.09921 3.10474 3.10769 3.11676 3.12233 3.13581 3.16942 3.17628 3.18400 3.19653 3.20713 3.21511 3.27753 3.28999 3.30681 3.32211 3.34174 3.36790 3.40141 3.41809 3.47312 3.49724 3.52699 3.55169 3.55297 3.59192 3.60336 3.64562 3.67410 3.68232 3.70267 3.78042 3.79319 3.80744 3.81409 3.81504 3.83453 3.84106 3.84859 3.88055 3.92107 3.92986 3.93835 3.98152 3.98887 4.01444 4.07371 4.08352 4.12608 4.13989 4.14985 4.15484 4.20866 4.24654 4.29124 4.33899 4.37420 4.39319 4.43545 4.46317 4.65572 4.80176 4.83620 5.08246 5.22912 5.42423 5.48903 5.71006 9.78272 23.55419 23.76939 23.83235 23.84678 23.87054 23.89710 23.92055 23.92717 23.93537 23.95533 23.95724 23.96837 23.97697 23.98868 24.00191 24.06860 24.09334 24.17262 25.83798 26.11559 26.60902 35.46923 35.52451 35.66826 50.00747 215.77407 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 0.392326 -0.142318 0.093967 -0.098875 -0.128499 0.263943 0.501786 -0.133010 -0.498901 -0.814217 0.069025 -0.931895 -0.424507 -0.525575 -0.522063 0.593631 -0.006882 -0.251525 -0.379228 -0.634054 -0.731234 -0.089251 0.646437 0.175345 0.189553 0.164652 0.154266 0.161624 0.170633 0.126440 0.158300 0.206245 0.181277 0.130757 0.250814 0.141053 0.139833 0.142121 0.154207 0.129525 0.145721 0.139975 0.132853 0.120062 0.146860 0.145381 0.143421 -0.00000 -2.9004 -1.6562 1.7054 3.7502 -161.2517 -151.2107 -148.7168 0.2476 -8.1665 -5.6568 -7.5253 2.5157 5.0096 0.2476 -8.1665 -5.6568 -108.9378 -55.5210 13.8346 24.1940 7.3897 18.8282 -7.0108 14.8387 -36.1325 -9.9487 -10131.5962 -3799.0129 -836.1271 15.4118 -26.6170 -13.3957 -197.1933 -7.3838 9.3599 -2144.7463 -1790.8974 -726.4133 -12.2956 25.0624 -16.2364 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS24 PAULAPLA 2021-07-20T00:00:00.000 0 Electronic spectrum ipconazole_RSS CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1400.375735 RMSD=7.218e-09 PG=C01 [X(C18H24Cl1N3O1)] 0 5.4929817062 -3.0507835106 0.4076640837 0 -1.8583446734 1.219437565 -1.681546477 0 -1.0696165575 2.8540731341 0.7026562979 0 -0.5726684449 3.4366582924 -0.4199286265 0 0.6358474962 4.0574869037 1.3844123337 0 -1.8659919075 0.7328584225 -0.3463959199 0 -2.9286180194 -0.388922214 -0.2052751092 0 -0.5422400737 0.020553843 0.0652108306 0 -2.4614443974 -1.1917392573 1.0368484072 0 -0.9651800531 -0.8427161634 1.2693854007 0 -4.4167892195 0.016914459 -0.1622676701 0 -2.1732157132 1.902805419 0.6220089834 0 0.0527711555 -0.8139359623 -1.0912096821 0 -5.3033827886 -1.2293019542 0.0023573053 0 -4.8631717982 0.8015747428 -1.4047676871 0 1.4058796073 -1.3863773804 -0.7428938204 0 -0.3283508129 3.2337566588 1.7628084853 0 2.5301292343 -0.5545272117 -0.6722459333 0 1.5746903849 -2.7428704174 -0.4530915658 0 3.7814005459 -1.0525293137 -0.322693696 0 2.8198855161 -3.2630681091 -0.1012579188 0 0.4460494809 4.1473862181 0.0435286663 0 3.9139240222 -2.408840352 -0.0370124939 0 -2.7959593713 -1.0054534166 -1.1020074138 0 0.2134069689 0.7563887396 0.3526182225 0 -2.6111825433 -2.2622593362 0.888591163 0 -3.0597407725 -0.9187556802 1.9118915494 0 -0.8424130836 -0.2827955852 2.2008154875 0 -0.3369392566 -1.7294761194 1.3669924682 0 -4.5755390545 0.6474550667 0.7241665648 0 -2.3566572701 1.5427454886 1.634627608 0 -3.0597527205 2.4332627138 0.2749915365 0 0.1327328384 -0.1758960011 -1.9736633474 0 -0.630967631 -1.6248028963 -1.3577569923 0 -1.3200501949 2.0275398574 -1.7029473537 0 -6.3605579616 -0.9499521481 0.01978123 0 -5.0890247268 -1.7756154969 0.9236397327 0 -5.1561291086 -1.9161984361 -0.8384217979 0 -4.2866574457 1.7134884852 -1.5546412772 0 -5.9226917337 1.0637173003 -1.3273417312 0 -4.7308127907 0.1941925269 -2.3056162783 0 -0.5257991489 2.89374855 2.7678815798 0 2.4281697797 0.5024052397 -0.8969678923 0 0.7218037648 -3.4115479522 -0.507278688 0 4.6448000224 -0.4012442991 -0.2737914176 0 2.9395148881 -4.3162905402 0.1188354825 0 1.0625163979 4.7477956736 -0.6076881313 Gaussian 16 20-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C18H24ClN3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.493,-3.0508,.4077;-1.8583,1.2194,-1.6815;-1.0696,2.8541,.7027;-.5727,3.4367,-.4199;.6358,4.0575,1.3844;-1.866,.7329,-.3464;-2.9286,-.3889,-.2053;-.5422,.0206,.0652;-2.4614,-1.1917,1.0368;-.9652,-.8427,1.2694;-4.4168,.0169,-.1623;-2.1732,1.9028,.622;.0528,-.8139,-1.0912;-5.3034,-1.2293,.0024;-4.8632,.8016,-1.4048;1.4059,-1.3864,-.7429;-.3284,3.2338,1.7628;2.5301,-.5545,-.6722;1.5747,-2.7429,-.4531;3.7814,-1.0525,-.3227;2.8199,-3.2631,-.1013;.446,4.1474,.0435;3.9139,-2.4088,-.037;-2.796,-1.0055,-1.102;.2134,.7564,.3526;-2.6112,-2.2623,.8886;-3.0597,-.9188,1.9119;-.8424,-.2828,2.2008;-.3369,-1.7295,1.367;-4.5755,.6475,.7242;-2.3567,1.5427,1.6346;-3.0598,2.4333,.275;.1327,-.1759,-1.9737;-.631,-1.6248,-1.3578;-1.32,2.0275,-1.7029;-6.3606,-.95,.0198;-5.089,-1.7756,.9236;-5.1561,-1.9162,-.8384;-4.2867,1.7135,-1.5546;-5.9227,1.0637,-1.3273;-4.7308,.1942,-2.3056;-.5258,2.8937,2.7679;2.4282,.5024,-.897;.7218,-3.4115,-.5073;4.6448,-.4012,-.2738;2.9395,-4.3163,.1188;1.0625,4.7478,-.6077; oldchk=/home/paulapla/almacen/ADAMA/censo_results/ipconazole_RSS/gas/CONF12/opt #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point ipconazole_RSS CONF12 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 1259 A 1121 A 1121 1615 1259 89 89 2098.1948703579 47 47 47 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=131 Grimme-D3 -0.0577610390 0.000000 8.754518 0.000000 8.833009 2.996423 0.000000 8.919861 2.856696 1.358882 0.000000 8.664485 4.865760 2.195815 2.258669 0.000000 8.308974 1.421072 2.496853 2.998104 4.506446 0.000000 8.853505 2.431395 3.846719 4.497960 5.916340 1.551606 0.000000 6.780434 2.494116 2.951829 3.450515 4.407381 1.558562 2.436315 0.000000 8.192973 3.683364 4.291558 5.206893 6.104784 2.443769 1.551012 2.469226 0.000000 6.879388 3.709207 3.741436 4.617455 5.156405 2.429948 2.497127 1.540828 1.553930 0.000000 10.389377 3.209347 4.472262 5.151534 6.651886 2.655757 1.543116 3.881223 2.592701 3.834345 0.000000 9.129872 2.423325 1.459228 2.449508 3.621429 1.549507 2.550891 2.552053 3.135502 3.068605 3.034023 0.000000 6.070091 2.852274 4.234619 4.348488 5.495402 2.574679 3.139140 1.545225 3.315516 2.570887 4.640066 3.907790 0.000000 10.956439 4.549741 5.923609 6.658015 8.070605 3.973331 2.527619 4.922862 3.024599 4.535947 1.538247 4.471243 5.482408 0.000000 11.197120 3.046342 4.800526 5.130496 6.972783 3.179302 2.568767 4.630473 3.962712 5.004910 1.535824 3.543501 5.184080 2.509631 0.000000 4.560530 4.280946 5.118507 5.223086 5.895256 3.918356 4.480159 2.535283 4.261638 3.157017 6.017460 5.048921 1.509939 6.752353 6.672797 0.000000 8.672933 4.273400 1.348168 2.205720 1.323402 3.614910 4.874274 3.640365 4.966097 4.155316 5.547010 2.544874 4.967342 6.911514 6.042652 5.534595 0.000000 4.021939 4.839870 5.144617 5.061678 5.393405 4.592322 5.481187 3.211544 5.314400 4.008762 6.989013 5.462145 2.525891 7.891408 7.552251 1.400322 5.333994 0.000000 4.023521 5.384674 6.297133 6.542081 7.106526 4.891868 5.087462 3.519452 4.573436 3.609495 6.602940 6.065059 2.538547 7.057352 7.410455 1.397339 6.652206 2.397861 0.000000 2.730559 6.230172 6.312310 6.254612 6.238668 5.922940 6.743776 4.471671 6.390684 5.010865 8.269206 6.714456 3.814475 9.092315 8.907144 2.435390 6.293777 1.391356 2.782773 0.000000 2.729379 6.669033 7.293416 7.516469 7.782529 6.163195 6.427817 4.702528 5.786029 4.697179 7.945531 7.220833 3.825595 8.374630 8.789188 2.435791 7.456197 2.783196 1.394598 2.420749 0.000000 8.798737 4.105971 2.098655 1.325788 1.357230 4.142050 5.659362 4.243575 6.160070 5.328735 6.383600 3.497618 5.104607 7.871877 6.440485 5.671179 2.095313 5.192659 6.999721 6.188522 7.782730 0.000000 1.761605 7.013414 7.285674 7.378753 7.387802 6.585850 7.136439 5.076397 6.578741 5.288202 8.677601 7.488516 4.308544 9.292556 9.445366 2.798926 7.285270 2.399351 2.399315 1.392392 1.389515 7.417328 0.000000 8.670007 2.482967 4.597066 5.014041 6.602495 2.111283 1.096284 2.737579 2.172857 3.000290 2.134347 3.437734 2.855181 2.748982 2.762315 4.234326 5.680419 5.362392 4.747872 6.623535 6.134822 6.194726 6.937308 0.000000 6.509339 2.940135 2.483738 2.898032 3.484294 2.193872 3.390472 1.093187 3.379083 2.187845 4.717059 2.661355 2.139243 5.873723 5.372346 2.685812 2.901636 2.852376 3.840192 4.056946 4.812044 3.412993 4.885111 3.778400 0.000000 8.156625 4.392560 5.346761 6.192368 7.122376 3.324339 2.192419 3.188999 1.091061 2.206679 3.091788 4.196504 3.621312 3.016679 4.440499 4.423313 6.015128 5.637876 4.421836 6.617838 5.610519 7.151528 6.592059 2.361395 4.168670 0.000000 8.941885 4.350634 4.433631 5.531053 6.220820 3.041830 2.186392 3.260420 1.094614 2.192209 2.649376 3.226597 4.326354 2.962548 4.148750 5.216160 4.972532 6.169042 5.513483 7.198089 6.642182 6.437945 7.392603 3.026662 3.993863 1.747384 0.000000 7.142435 4.285039 3.483683 4.558004 4.657233 2.927038 3.186344 2.177827 2.191406 1.093684 4.295364 3.006745 3.452665 5.062543 5.508411 3.864989 3.580817 4.438734 4.351733 5.323555 5.252999 5.093185 5.670157 3.904768 2.368648 2.961208 2.324750 0.000000 6.054266 4.506036 4.689039 5.471526 5.868182 3.367015 3.314500 2.190751 2.216231 1.091126 4.694006 4.137678 2.651951 5.174743 5.880107 2.758035 4.978998 3.709323 2.827367 4.502668 3.804367 6.074713 4.527980 3.559066 2.740686 2.384305 2.892720 1.744606 0.000000 10.730902 3.673930 4.142598 5.011146 6.262810 2.914626 2.156453 4.134577 2.819539 3.943674 1.099340 2.712471 5.181941 2.138453 2.153798 6.485839 5.079994 7.340657 7.120784 8.592107 8.406297 6.158664 9.054906 3.038737 4.804573 3.514565 2.482207 4.120933 4.901913 0.000000 9.177297 3.368954 2.060249 3.315226 3.916838 2.195706 2.728318 2.841170 2.801023 2.785684 3.130677 1.090271 4.334684 4.362539 4.008725 5.328138 2.643856 5.796628 6.179043 6.945669 7.273633 4.143780 7.598000 3.765033 2.977774 3.885797 2.574915 2.438464 3.854650 2.560063 0.000000 10.160789 2.597074 2.078610 2.770434 4.186452 2.168539 2.865760 3.493285 3.752204 4.013489 2.805616 1.089841 4.700916 4.303787 2.955726 5.963859 3.211689 6.408660 6.985737 7.701257 8.195114 3.909277 8.495615 3.713554 3.678520 4.756642 3.730344 4.000296 5.092600 2.385052 1.770868 0.000000 6.532072 2.448811 4.217706 3.995276 5.426908 2.732899 3.541814 2.156662 4.101814 3.488184 4.900661 4.046716 1.091885 5.879258 5.122319 2.144985 5.079326 2.754008 3.313720 4.099630 4.500814 4.781004 4.799382 3.166258 2.507439 4.480456 5.083430 4.288194 3.714052 5.488535 4.708562 4.696395 0.000000 6.530918 3.114642 4.949550 5.147942 6.435272 2.847227 2.852159 2.177133 3.045049 2.761383 4.296147 4.329206 1.093641 4.882396 4.878634 2.140946 5.782310 3.407044 2.633139 4.568134 4.021329 6.036699 4.797408 2.266317 3.050971 3.061647 4.133769 3.809085 2.742566 5.005717 4.686761 5.003275 1.749831 0.000000 8.755653 0.971210 2.555935 2.047030 4.180671 1.953070 3.266466 2.785564 4.378701 4.147175 4.000763 2.479692 3.214474 5.420519 3.761065 4.472944 3.801301 4.749031 5.718258 6.116921 6.906157 3.265430 7.060545 3.426147 2.862283 5.175468 4.977373 4.561266 4.950374 4.288790 3.528312 2.665224 2.653110 3.732774 0.000000 12.044515 5.279270 6.552174 7.275669 8.711277 4.813217 3.484769 5.898879 4.036827 5.539234 2.178580 5.102425 6.510268 1.093599 2.709124 7.815990 7.545137 8.926342 8.149008 10.148258 9.468141 8.503724 10.377695 3.737359 6.799955 4.066300 3.804793 5.970924 6.221464 2.496830 4.985227 4.733560 6.836359 5.931378 6.102456 0.000000 10.671042 5.118069 6.135022 7.026411 8.186059 4.277075 2.804412 4.963504 2.694050 4.242162 2.200968 4.703584 5.605579 1.092323 3.480575 6.716593 6.961467 7.879684 6.872850 8.986693 8.112570 8.154360 9.076173 3.155082 5.903634 2.525421 2.414300 4.679038 4.772945 2.484900 4.356932 4.717345 6.182250 5.010169 5.963901 1.765071 0.000000 10.781631 4.628008 6.467611 7.059485 8.612369 4.252599 2.774032 5.084834 3.361964 4.812408 2.177323 5.061168 5.330246 1.095637 2.791570 6.584056 7.523023 7.807710 6.792334 8.993961 8.122455 8.302367 9.118707 2.543489 6.114999 3.095010 3.599161 5.523868 5.303141 3.057955 5.090905 4.955027 5.682384 4.564176 5.569199 1.766577 1.768934 0.000000 11.053971 2.481309 4.092148 4.248600 6.193821 2.877692 2.843447 4.417082 4.299717 5.053862 2.198636 3.039783 5.043142 3.481090 1.089228 6.532464 5.383761 7.238169 7.444995 8.617547 8.796669 5.556664 9.303028 3.133641 4.980387 4.958142 4.522265 5.472789 5.999185 2.532360 3.731687 2.317526 4.824558 4.954495 2.986868 3.724753 4.354253 3.800471 0.000000 12.257935 4.082723 5.556852 5.922584 7.702643 4.186709 3.511933 5.654790 4.759907 5.912225 2.172772 4.308434 6.267974 2.722054 1.094210 7.749355 6.749426 8.631225 8.453707 9.982847 9.831430 7.207577 10.511071 3.756155 6.369335 5.190238 4.755977 6.330104 6.801617 2.489333 4.660400 3.555214 6.214703 5.935605 4.717451 2.461977 3.718028 3.115535 1.774958 0.000000 11.064255 3.113144 5.434062 5.599961 7.572476 3.512251 2.828314 4.816130 4.271172 5.294885 2.173472 4.246369 5.037240 2.771446 1.094514 6.526814 6.721064 7.479957 7.198441 8.828594 8.592141 6.924314 9.308803 2.575166 5.641594 4.553015 4.671029 5.971189 6.041083 3.067432 4.793822 3.803342 4.888889 4.584311 3.918887 3.061472 3.799547 2.605245 1.751998 1.770217 0.000000 8.782586 4.937247 2.135993 3.234050 2.148883 4.020483 5.038762 3.944610 4.840910 4.049656 5.657009 2.881097 5.382774 6.890064 6.371891 5.863139 1.079242 5.750111 6.823357 6.608838 7.571787 3.152490 7.462977 5.944194 3.308811 5.870688 4.657120 3.242259 4.834497 5.061917 2.541951 3.584337 5.686706 6.119580 4.622712 7.508029 6.784336 7.588213 5.849895 7.017572 7.121104 0.000000 4.870348 4.416323 4.508176 4.224031 4.588651 4.335443 5.474311 3.159320 5.524319 4.244674 6.901373 5.043923 2.722683 7.973989 7.315123 2.153211 4.704583 1.085358 3.384859 2.139824 3.868512 4.254318 3.379695 5.441250 2.555611 6.018859 6.326654 4.572692 4.213388 7.190344 5.512336 5.934559 2.624575 3.754419 4.126111 8.954971 8.063015 7.960820 6.854791 8.380763 7.302761 5.279733 0.000000 4.871490 5.429742 6.628057 6.970023 7.705347 4.888627 4.749005 3.702009 4.176715 3.549838 6.186964 6.156199 2.745208 6.428437 7.053215 2.150533 7.100436 3.385236 1.085118 3.867838 2.142159 7.583991 3.378787 4.303214 4.285976 3.791848 5.134830 4.423759 2.731885 6.786295 6.213671 7.005279 3.600935 2.397032 5.931481 7.516455 6.203993 6.074193 7.242075 8.052939 6.779853 7.213872 4.287490 0.000000 2.864237 6.848305 6.648691 6.478644 6.221063 6.609226 7.573738 5.215191 7.269207 5.835081 9.071918 7.252340 4.682437 9.986405 9.650254 3.417770 6.487927 2.157335 3.865351 1.082600 3.398546 6.198406 2.149578 7.511053 4.622742 7.580488 8.025271 6.020566 5.410554 9.333292 7.512760 8.227741 4.826914 5.523206 6.597039 11.022938 9.903034 9.933383 9.267341 10.720446 9.611710 6.844257 2.473536 4.950388 0.000000 2.864459 7.543548 8.235781 8.528418 8.776601 6.985932 7.068540 5.561808 6.306816 5.351273 8.542300 8.066620 4.697232 8.802751 9.454937 3.417456 8.389565 3.865782 2.159976 3.399391 1.082603 8.823654 2.147587 6.734075 5.763540 5.968401 7.123859 5.908189 4.357139 9.026696 8.042100 9.031726 5.422125 4.708798 7.855379 9.891077 8.459325 8.498014 9.559097 10.467790 9.222600 8.426773 4.951077 2.475646 4.288326 0.000000 9.026505 4.704669 3.138340 2.104320 2.151055 4.976360 6.517435 5.037346 7.099357 6.236087 7.252753 4.480635 5.673292 8.753429 7.163922 6.145263 3.137846 5.502062 7.509747 6.412279 8.216980 1.079169 7.724871 6.944931 4.192196 8.054551 7.446549 6.068220 6.914687 7.097485 5.195294 4.809292 5.193566 6.636302 3.778360 9.378704 9.096225 9.117763 6.222331 7.929910 7.561807 4.165898 4.469008 8.167071 6.281469 9.284860 0.000000 C18H24ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 309.66509999999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;3;4;5;2;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.4061,-.2373,.3313;-2.1071,.1375,-1.675;-2.0665,2.2574,.4423;-1.893,2.8396,-.7732;-1.0435,4.1563,.8535;-1.8783,-.1203,-.2964;-2.3436,-1.5593,.0504;-.3693,-.1324,.0935;-1.5513,-1.908,1.3373;-.3525,-.9225,1.4163;-3.859,-1.8301,.158;-2.647,.9232,.5529;.509,-.778,-1.0017;-4.1113,-3.3014,.529;-4.6246,-1.4886,-1.1289;1.9823,-.6612,-.6926;-1.5458,3.0577,1.394;2.6331,.5739,-.8011;2.7301,-1.761,-.2638;3.9824,.7136,-.4916;4.0837,-1.6434,.0509;-1.2774,3.9743,-.471;4.6975,-.4021,-.0643;-1.9717,-2.1738,-.7778;-.0045,.8879,.2382;-1.2226,-2.9483,1.3234;-2.1931,-1.8032,2.2179;-.4692,-.2442,2.2662;.6008,-1.4314,1.5669;-4.2606,-1.2156,.9763;-2.6372,.6594,1.6108;-3.6821,.9694,.215;.2873,-.293,-1.9544;.2419,-1.8317,-1.1225;-1.975,1.0874,-1.8283;-5.1841,-3.5036,.5934;-3.664,-3.573,1.4878;-3.6946,-3.965,-.2369;-4.5055,-.447,-1.4241;-5.691,-1.6991,-1.0028;-4.2571,-2.0957,-1.9622;-1.5575,2.8049,2.4432;2.0771,1.4436,-1.1363;2.2528,-2.7316,-.1778;4.4768,1.6726,-.5817;4.6539,-2.5028,.3798;-.9957,4.6873,-1.2305; 0.3418260 0.1298390 0.1033587 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= 1121 RedAO= T EigKep= 1.00D-06 NBF= 1121 NBsUse= 1117 1.00D-06 EigRej= 9.76D-07 NBFU= 1117 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= 1241 1238 1238 1238 1241 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1400.38196946666 -1400.44154608258 -0.059576615911 -1400.44141767132 0.000128411255 -1400.44186300251 -0.000445331187 -1400.44188981898 -0.000026816470 -1400.44189587502 -0.000006056040 -1400.44189658795 -0.000000712932 -1400.44189663053 -0.000000042583 -1400.44189664044 -0.000000009903 -1400.44189664093 -0.000000000498 -1400.44189664108 -0.000000000147 -1400.44189664133 -0.000000000250 -1400.44189664 12 1.394854394055e+03 -7.474985184979e+03 2.581551784963e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3771671581 LenY= 3770085241 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. PT48021.900S 2021-07-20T16:48:16.000 -101.55120 -19.12271 -14.42118 -14.35937 -14.32240 -10.25622 -10.24444 -10.23798 -10.23761 -10.23683 -10.19202 -10.18962 -10.18956 -10.18665 -10.18592 -10.18405 -10.18364 -10.18222 -10.17698 -10.17679 -10.17585 -10.16324 -10.15490 -9.46588 -7.22970 -7.22112 -7.22081 -1.10069 -1.03191 -0.92443 -0.89430 -0.86981 -0.85491 -0.84285 -0.80625 -0.77235 -0.76376 -0.75708 -0.72146 -0.70325 -0.68728 -0.66488 -0.64954 -0.62849 -0.62042 -0.60221 -0.59628 -0.57942 -0.56707 -0.54546 -0.52455 -0.51494 -0.50438 -0.49181 -0.48712 -0.47277 -0.46953 -0.46700 -0.45789 -0.44166 -0.43866 -0.43493 -0.43099 -0.42884 -0.41743 -0.41283 -0.40553 -0.39889 -0.39349 -0.38900 -0.37630 -0.37039 -0.36563 -0.36153 -0.35358 -0.34813 -0.34386 -0.33794 -0.33176 -0.32416 -0.32406 -0.31894 -0.31583 -0.30742 -0.30043 -0.28864 -0.27850 -0.27089 -0.24573 -0.03097 -0.02651 -0.02598 -0.01506 -0.00426 0.00004 0.00643 0.01060 0.01288 0.01648 0.02033 0.02578 0.02626 0.03188 0.03571 0.03975 0.04185 0.04711 0.05139 0.05296 0.05462 0.05720 0.06161 0.06452 0.06720 0.07004 0.07498 0.07961 0.08072 0.08478 0.08624 0.09032 0.09359 0.09810 0.10211 0.10669 0.10827 0.11234 0.11577 0.11706 0.11760 0.12032 0.12513 0.12698 0.13066 0.13323 0.13663 0.13850 0.13997 0.14384 0.14609 0.14670 0.15175 0.15640 0.15749 0.15928 0.16214 0.16256 0.16698 0.17007 0.17181 0.17373 0.17627 0.17803 0.18225 0.18286 0.18448 0.18615 0.18873 0.19178 0.19618 0.19723 0.19926 0.20194 0.20400 0.20594 0.20735 0.20875 0.21272 0.21294 0.21824 0.22140 0.22368 0.22768 0.22887 0.22994 0.23374 0.23527 0.23630 0.24048 0.24153 0.24623 0.24667 0.24787 0.25010 0.25102 0.25516 0.26127 0.26189 0.26756 0.26863 0.27210 0.27256 0.27511 0.27709 0.27817 0.28052 0.28478 0.28679 0.28864 0.29146 0.29674 0.29880 0.30097 0.30404 0.30902 0.31392 0.31528 0.31909 0.32422 0.32593 0.32680 0.33037 0.33419 0.33718 0.33918 0.34504 0.34588 0.34836 0.35291 0.35573 0.36130 0.36348 0.36848 0.37154 0.37645 0.38099 0.38522 0.39275 0.39378 0.39583 0.40012 0.40706 0.40884 0.41066 0.41477 0.41556 0.41849 0.42612 0.42924 0.43211 0.43489 0.43792 0.44203 0.44384 0.45077 0.45180 0.45395 0.45603 0.46140 0.46367 0.47033 0.47069 0.47612 0.47739 0.48104 0.48274 0.48925 0.49465 0.50229 0.50472 0.50724 0.51409 0.51679 0.51876 0.52175 0.52788 0.52923 0.53553 0.53848 0.54409 0.54625 0.55271 0.55584 0.55958 0.56209 0.56469 0.56701 0.56761 0.57026 0.57341 0.57503 0.58433 0.58828 0.58920 0.59031 0.59324 0.59603 0.59881 0.60190 0.60347 0.61079 0.61552 0.61755 0.62133 0.62199 0.62535 0.62754 0.62992 0.63689 0.63916 0.64282 0.64416 0.64737 0.64950 0.65270 0.66173 0.66355 0.66879 0.67306 0.67546 0.67994 0.68433 0.68514 0.69028 0.69438 0.69711 0.69916 0.70339 0.70764 0.70889 0.71364 0.71413 0.71838 0.72226 0.72938 0.73167 0.73317 0.73861 0.74372 0.74741 0.75282 0.75727 0.76191 0.76947 0.77186 0.77489 0.78115 0.78546 0.78691 0.79018 0.79700 0.80123 0.80579 0.81078 0.81693 0.82381 0.82764 0.83313 0.83392 0.83651 0.84682 0.85296 0.85413 0.86142 0.86403 0.86930 0.87558 0.88019 0.88447 0.88987 0.89684 0.89926 0.90939 0.91129 0.92122 0.92454 0.92623 0.93110 0.94415 0.95204 0.95610 0.96241 0.96484 0.97201 0.97760 0.98476 0.99013 0.99693 1.00627 1.00923 1.01280 1.01806 1.02500 1.03251 1.03867 1.04445 1.05010 1.05193 1.05657 1.06004 1.06364 1.06622 1.07001 1.08077 1.08243 1.08707 1.09019 1.09344 1.10000 1.10721 1.11046 1.11287 1.11620 1.11940 1.12480 1.12669 1.13371 1.13976 1.14647 1.14885 1.15267 1.15531 1.16158 1.16505 1.16784 1.17222 1.17473 1.17584 1.17926 1.18091 1.18669 1.18962 1.19559 1.19777 1.19984 1.20295 1.20739 1.20847 1.21536 1.22328 1.23192 1.23515 1.23902 1.24398 1.25231 1.25551 1.26076 1.26670 1.26786 1.27377 1.27954 1.28131 1.28441 1.29270 1.29481 1.29806 1.30567 1.30750 1.31182 1.31717 1.31998 1.32273 1.32421 1.32920 1.33347 1.33747 1.33989 1.34555 1.35223 1.35523 1.35695 1.36511 1.37185 1.37534 1.37857 1.38423 1.39117 1.39457 1.40183 1.40375 1.40909 1.41338 1.42003 1.42245 1.42958 1.43261 1.43928 1.44308 1.44865 1.44957 1.45484 1.46371 1.46969 1.47315 1.47841 1.48629 1.49018 1.49535 1.49953 1.50127 1.50946 1.51703 1.52299 1.52778 1.53074 1.53298 1.53616 1.54428 1.55162 1.55534 1.55985 1.57399 1.57828 1.58180 1.58966 1.59210 1.60192 1.60453 1.61416 1.62313 1.62501 1.63434 1.63775 1.64464 1.65162 1.65269 1.66146 1.66538 1.67029 1.67504 1.68787 1.69401 1.69590 1.69943 1.70783 1.70906 1.72667 1.73053 1.73339 1.73688 1.74914 1.75633 1.76546 1.77362 1.77827 1.78660 1.79803 1.80189 1.81783 1.82401 1.83115 1.83924 1.84439 1.85027 1.85400 1.85933 1.87174 1.87645 1.88642 1.89301 1.90372 1.90822 1.91952 1.92420 1.93426 1.94010 1.94530 1.94853 1.96444 1.97748 1.98329 1.98961 1.99670 2.00098 2.00446 2.01128 2.01323 2.02506 2.02972 2.03602 2.04180 2.04332 2.05366 2.05459 2.06522 2.07451 2.07831 2.09009 2.09815 2.11105 2.11469 2.11501 2.12223 2.13008 2.13722 2.14502 2.15362 2.15675 2.16005 2.17274 2.17644 2.17928 2.18863 2.19297 2.19695 2.21559 2.22438 2.23003 2.24900 2.25809 2.26281 2.26477 2.27328 2.28079 2.28105 2.28905 2.30019 2.30706 2.31377 2.32710 2.35701 2.37188 2.37582 2.38458 2.38849 2.39102 2.39854 2.40623 2.41128 2.43127 2.43210 2.43607 2.44375 2.45603 2.46855 2.47611 2.49131 2.49196 2.51494 2.52456 2.52981 2.54081 2.55420 2.56140 2.57833 2.59155 2.60323 2.61080 2.62125 2.63097 2.64362 2.65468 2.67629 2.68416 2.69918 2.70582 2.72471 2.73984 2.76721 2.77632 2.78432 2.79050 2.79501 2.80006 2.81240 2.82191 2.82465 2.82878 2.83184 2.84563 2.84829 2.85369 2.86471 2.87372 2.87657 2.88212 2.88857 2.89409 2.89801 2.90715 2.91557 2.91983 2.92268 2.93757 2.94094 2.94509 2.95036 2.96148 2.96460 2.97771 2.98000 2.98945 2.99521 3.00590 3.01488 3.01996 3.02336 3.03018 3.04167 3.04957 3.06143 3.06627 3.07663 3.08774 3.10219 3.10498 3.10927 3.12005 3.12638 3.13415 3.14503 3.14778 3.15450 3.15935 3.16986 3.17229 3.17812 3.18301 3.18737 3.19223 3.20389 3.20507 3.21245 3.22246 3.23363 3.23655 3.23890 3.24637 3.25171 3.25507 3.26689 3.27799 3.28417 3.28646 3.29184 3.29974 3.30675 3.31814 3.32417 3.32852 3.33322 3.34482 3.35256 3.36227 3.36711 3.37352 3.37699 3.37973 3.38481 3.39006 3.39322 3.40507 3.40839 3.41288 3.43065 3.43919 3.44795 3.45288 3.46132 3.46576 3.47105 3.48144 3.48803 3.49782 3.50506 3.51645 3.52884 3.53527 3.54956 3.55250 3.56608 3.56958 3.57565 3.58222 3.59302 3.59430 3.60405 3.61601 3.62270 3.63088 3.63574 3.65285 3.65507 3.66120 3.68166 3.68355 3.69125 3.71588 3.71807 3.72296 3.73132 3.73538 3.74045 3.75799 3.76894 3.78364 3.79117 3.79716 3.81267 3.81778 3.82815 3.83145 3.83936 3.85093 3.85882 3.87944 3.88303 3.89127 3.89973 3.91108 3.91939 3.92685 3.94573 3.95009 3.96437 3.96737 3.98276 3.99330 3.99877 4.00809 4.02244 4.02609 4.03203 4.03269 4.04969 4.05377 4.05853 4.06699 4.07873 4.09928 4.10946 4.12065 4.12468 4.13385 4.15448 4.16132 4.16541 4.18398 4.18981 4.19492 4.19814 4.21100 4.21887 4.22535 4.24626 4.25675 4.25806 4.26308 4.27849 4.28467 4.29067 4.31300 4.31567 4.33233 4.33755 4.34415 4.35089 4.35553 4.36670 4.37460 4.37856 4.38173 4.38524 4.39273 4.40205 4.41158 4.41899 4.42346 4.43479 4.43989 4.45234 4.45983 4.47268 4.47730 4.48333 4.49043 4.51049 4.51191 4.51902 4.52553 4.53479 4.54083 4.55314 4.55671 4.56600 4.57961 4.58983 4.59839 4.60189 4.60920 4.61331 4.62045 4.62884 4.63917 4.64216 4.64962 4.67445 4.69365 4.70190 4.70782 4.72786 4.73499 4.74595 4.76386 4.77698 4.78696 4.79693 4.80451 4.82248 4.82746 4.83255 4.83920 4.84993 4.85935 4.87104 4.87896 4.88100 4.89490 4.89982 4.91376 4.93533 4.93949 4.96389 4.97605 4.98342 4.99286 5.00581 5.01531 5.03253 5.05553 5.05880 5.10127 5.11162 5.12077 5.16265 5.18119 5.18953 5.20523 5.23240 5.24961 5.25379 5.27598 5.33098 5.34115 5.36094 5.36777 5.39652 5.43416 5.43707 5.44821 5.47416 5.49157 5.50897 5.52965 5.56298 5.57688 5.61093 5.68631 5.69563 5.70730 5.71422 5.74596 5.78698 5.80296 5.81650 5.82392 5.83478 5.84426 5.84789 5.85386 5.86135 5.86407 5.87131 5.88245 5.88506 5.90535 5.94002 5.94976 6.00817 6.03229 6.04369 6.10936 6.17604 6.18125 6.23390 6.41201 6.58776 6.61017 6.68072 7.08823 7.12108 7.14501 7.16817 7.18068 7.18727 7.19687 7.21844 7.22455 7.24645 7.25779 7.25972 7.27390 7.30108 7.30698 7.30854 7.32807 7.33347 7.34229 7.36536 7.37106 7.38448 7.39250 7.39876 7.40628 7.42124 7.43576 7.43982 7.46097 7.46622 7.48454 7.48898 7.50986 7.52539 7.55116 7.56004 7.57213 7.59540 7.62707 7.63219 7.65711 7.66799 7.68489 7.71659 7.73019 7.74704 7.78377 7.81878 7.82640 7.84832 7.85886 7.86973 7.87703 7.88447 7.89666 7.93152 7.94305 7.94554 7.95176 7.95295 7.96796 8.00111 8.00936 8.02078 8.03011 8.03510 8.10176 8.11297 8.14919 8.19479 8.24561 8.25277 8.28284 8.28603 8.32432 8.33599 8.36038 8.41970 8.43065 8.45331 8.49344 8.52128 8.59649 8.62797 8.65490 8.73493 8.82488 8.86634 8.91541 9.25772 9.37149 10.03456 10.16802 10.44212 10.49856 10.52841 10.55159 10.56978 10.66021 10.70286 10.77354 10.91604 10.98792 11.08307 11.28176 11.47476 12.28604 14.52893 14.58540 14.60454 14.92830 15.15123 23.99937 24.30664 24.35253 24.40916 24.44507 24.47175 24.47990 24.51447 24.52577 24.55274 24.62507 24.95533 24.96027 24.96552 25.14174 25.35747 25.40399 25.77893 26.04581 27.08071 28.10101 36.17263 36.20217 36.32652 50.36379 216.04244 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H -0.290475 -0.757608 -0.334170 -0.522736 -0.876312 0.718982 -0.132466 -0.325363 -0.312989 -0.631892 -0.026368 0.014513 -0.098952 -0.343412 -0.486991 0.811201 0.469201 -0.289461 -0.319543 -0.617676 -0.813076 0.468962 0.988678 0.118693 0.146643 0.159785 0.146507 0.160315 0.169905 0.117436 0.143139 0.161686 0.146703 0.113606 0.268889 0.141420 0.152186 0.146475 0.170717 0.139459 0.143590 0.201634 0.150905 0.133325 0.145269 0.146353 0.183312 -0.00000 -2.9037 -1.6267 1.6243 3.7035 -160.9324 -150.9300 -148.1530 0.2226 -7.9741 -5.4078 -7.5939 2.4085 5.1855 0.2226 -7.9741 -5.4078 -108.7005 -52.6541 13.1075 23.5934 7.6953 17.5905 -6.7038 14.6660 -35.4509 -9.6552 -10121.0017 -3787.1722 -834.4147 12.0636 -29.0777 -15.9040 -192.5280 -6.1923 10.1179 -2142.8839 -1783.9091 -724.7346 -10.8138 24.9067 -16.7520 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS24 PAULAPLA 2021-07-20T00:00:00.000 0 Single Point ipconazole_RSS CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1400.4418966 RMSD=4.876e-09 Dipole=-1.3507356,-0.1466678,0.5263869 Quadrupole=-3.0388952,0.5076052,2.5312901,3.912686,-7.1991362,-1.1072281 PG=C01 [X(C18H24Cl1N3O1)] 0 5.4929817062 -3.0507835106 0.4076640837 0 -1.8583446734 1.219437565 -1.681546477 0 -1.0696165575 2.8540731341 0.7026562979 0 -0.5726684449 3.4366582924 -0.4199286265 0 0.6358474962 4.0574869037 1.3844123337 0 -1.8659919075 0.7328584225 -0.3463959199 0 -2.9286180194 -0.388922214 -0.2052751092 0 -0.5422400737 0.020553843 0.0652108306 0 -2.4614443974 -1.1917392573 1.0368484072 0 -0.9651800531 -0.8427161634 1.2693854007 0 -4.4167892195 0.016914459 -0.1622676701 0 -2.1732157132 1.902805419 0.6220089834 0 0.0527711555 -0.8139359623 -1.0912096821 0 -5.3033827886 -1.2293019542 0.0023573053 0 -4.8631717982 0.8015747428 -1.4047676871 0 1.4058796073 -1.3863773804 -0.7428938204 0 -0.3283508129 3.2337566588 1.7628084853 0 2.5301292343 -0.5545272117 -0.6722459333 0 1.5746903849 -2.7428704174 -0.4530915658 0 3.7814005459 -1.0525293137 -0.322693696 0 2.8198855161 -3.2630681091 -0.1012579188 0 0.4460494809 4.1473862181 0.0435286663 0 3.9139240222 -2.408840352 -0.0370124939 0 -2.7959593713 -1.0054534166 -1.1020074138 0 0.2134069689 0.7563887396 0.3526182225 0 -2.6111825433 -2.2622593362 0.888591163 0 -3.0597407725 -0.9187556802 1.9118915494 0 -0.8424130836 -0.2827955852 2.2008154875 0 -0.3369392566 -1.7294761194 1.3669924682 0 -4.5755390545 0.6474550667 0.7241665648 0 -2.3566572701 1.5427454886 1.634627608 0 -3.0597527205 2.4332627138 0.2749915365 0 0.1327328384 -0.1758960011 -1.9736633474 0 -0.630967631 -1.6248028963 -1.3577569923 0 -1.3200501949 2.0275398574 -1.7029473537 0 -6.3605579616 -0.9499521481 0.01978123 0 -5.0890247268 -1.7756154969 0.9236397327 0 -5.1561291086 -1.9161984361 -0.8384217979 0 -4.2866574457 1.7134884852 -1.5546412772 0 -5.9226917337 1.0637173003 -1.3273417312 0 -4.7308127907 0.1941925269 -2.3056162783 0 -0.5257991489 2.89374855 2.7678815798 0 2.4281697797 0.5024052397 -0.8969678923 0 0.7218037648 -3.4115479522 -0.507278688 0 4.6448000224 -0.4012442991 -0.2737914176 0 2.9395148881 -4.3162905402 0.1188354825 0 1.0625163979 4.7477956736 -0.6076881313