Gaussian 16 GINC-DEPAZ20 PAULAPLA Optimization ipconazole_RSR CONF295 octanol EM64L-G16RevC.01 5-Sep-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 scrf=(smd,Solvent=n-Octanol) opt freq 309.66509999999977 0 1 AuxInfo=1/0/N:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2617009/Gau-5890.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2617009/" chk=/home/paulapla/almacen/ADAMA/censo_results/ipconazole_RSR/octanol/CONF295/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=25,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=25,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=25/2 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_RSR CONF295 octanol 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 1.7339 1.4127 0.9618 1.3349 1.4453 1.3354 1.3086 1.3112 1.3468 1.5437 1.5435 1.5408 1.5265 1.5372 1.0968 1.5489 1.5337 1.0949 1.5336 1.092 1.0903 1.091 1.0918 1.529 1.5283 1.0944 1.0921 1.0884 1.502 1.0911 1.0938 1.0911 1.0919 1.0925 1.0916 1.092 1.0922 1.3928 1.3936 1.0793 1.3874 1.0829 1.387 1.084 1.3855 1.0819 1.386 1.0818 1.0791 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 21 109.8608 122.056 109.5214 128.4092 102.8694 102.4777 112.634 106.0331 106.9223 101.8882 113.6428 115.5934 102.4427 119.6642 105.2142 117.0101 106.4286 104.927 104.5108 117.2761 107.7815 110.396 108.4146 108.1424 103.878 110.9693 112.4045 110.5453 112.2223 106.8945 106.876 109.9825 111.0715 111.1678 111.3661 106.4267 116.5491 109.1629 107.0968 109.2395 107.7944 106.5257 115.8046 107.1152 107.3303 109.64 109.9033 106.6265 115.9667 109.5526 106.5612 110.0113 108.2745 105.9461 112.7188 109.8867 113.7768 106.8869 108.1352 104.9344 110.8418 111.6093 111.9415 107.3944 107.1739 107.6467 121.6832 120.3454 117.9708 110.3273 122.9975 126.6737 121.3935 119.7011 118.9022 121.5526 119.7465 118.7008 119.2016 120.1715 120.6268 119.03 120.2396 120.7302 114.8028 121.873 123.323 119.6033 119.5514 120.8444 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 59.0269 169.6394 -66.4955 -179.1338 -0.3611 -81.6195 41.0318 155.2188 99.8568 -137.4918 -23.3048 0.3771 -179.1955 179.0496 -0.523 0.2407 179.8619 -0.2115 179.3416 -0.0242 -179.6391 67.9547 -63.4129 179.0641 -45.2225 -176.5901 65.8869 -170.2563 58.3761 -59.1469 -84.6996 37.8803 160.1071 33.3147 155.8946 -81.8786 157.0421 -80.378 41.8488 -178.0386 60.6536 -56.2387 57.0498 -64.258 178.8497 -60.2747 178.4175 61.5252 39.3933 -79.4115 160.943 172.3419 53.537 -66.1084 -70.803 170.3921 50.7466 63.0956 -172.599 -57.6418 -61.5606 62.7448 177.7021 -179.2335 -54.9281 60.0291 -9.4508 -130.237 112.21 -136.4121 102.8017 -14.7513 105.2983 -15.4878 -133.0409 67.6605 -57.5714 -171.7622 -172.836 61.9321 -52.2587 -54.38 -179.6119 66.1973 -18.5131 101.5149 -139.9878 100.5823 -139.3897 -20.8924 -140.1842 -20.1563 98.3411 49.3776 168.478 -74.2095 -74.8888 44.2117 161.5241 169.7435 -71.1561 46.1564 170.3361 50.6755 -70.0615 -61.1679 179.1715 58.4346 55.0112 -64.6494 174.6137 -100.2897 79.4173 24.7076 -155.5854 140.0597 -40.2333 178.9208 -0.4165 -0.7929 179.8698 -178.8798 1.2753 0.8378 -179.007 0.1233 -179.8523 179.4657 -0.5099 -0.2103 179.941 179.6362 -0.2126 -179.8053 0.5348 0.1702 -179.4897 179.8481 -0.4918 -0.3039 179.3562 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2175.3793105945 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= 1.05D-06 NBF= 658 NBsUse= 657 1.00D-06 EigRej= 6.64D-07 NBFU= 657 Berny optimization. local minimum Step number 34 out of a maximum of 282 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00069 0.00258 0.00309 0.00374 0.00461 0.00535 0.00809 0.01033 0.01297 0.01518 0.01739 0.01777 0.02195 0.02206 0.02232 0.02256 0.02265 0.02268 0.02277 0.02381 0.02431 0.02456 0.02633 0.02899 0.02965 0.03413 0.03580 0.03924 0.03978 0.04101 0.04422 0.04646 0.04744 0.04849 0.05029 0.05083 0.05266 0.05294 0.05357 0.05474 0.05485 0.05568 0.05615 0.05866 0.06334 0.06413 0.07004 0.07172 0.07374 0.07828 0.09102 0.09840 0.10223 0.10471 0.12808 0.13420 0.14452 0.14847 0.15156 0.15795 0.15953 0.15976 0.15996 0.16001 0.16001 0.16020 0.16025 0.16041 0.16100 0.16155 0.16843 0.17252 0.18007 0.18524 0.19839 0.21315 0.22087 0.23083 0.23290 0.23445 0.23885 0.24791 0.25003 0.25977 0.26485 0.26652 0.28079 0.28486 0.28746 0.29025 0.29327 0.29498 0.29879 0.30643 0.32295 0.32975 0.33608 0.34237 0.34333 0.34377 0.34509 0.34533 0.34566 0.34595 0.34599 0.34601 0.34651 0.34682 0.34709 0.34719 0.34829 0.35004 0.35211 0.35520 0.35607 0.35737 0.35777 0.35973 0.36215 0.36393 0.40448 0.40954 0.43056 0.43347 0.46769 0.47551 0.47847 0.48360 0.49277 0.53141 0.55418 0.57942 0.60668 0.64087 0.69711 -9.37223346e-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 3.34338 2.72564 1.82039 2.57212 2.75682 2.54198 2.49767 2.50646 2.57215 2.92963 2.92706 2.91697 2.91023 2.92247 2.06959 2.93592 2.91615 2.06867 2.92505 2.06461 2.06256 2.06516 2.06574 2.90694 2.90600 2.07042 2.06298 2.05498 2.85424 2.06348 2.06961 2.06643 2.06853 2.07063 2.06824 2.06854 2.06882 2.64255 2.64664 2.03559 2.63612 2.05008 2.63192 2.05069 2.62728 2.04663 2.62965 2.04645 2.04018 1.90530 2.13679 1.90869 2.23713 1.79520 1.79519 1.96271 1.84969 1.84419 1.77511 1.99421 2.03648 1.79922 2.08459 1.81804 2.04291 1.86619 1.83172 1.80371 2.05456 1.86427 1.93905 1.90230 1.89383 1.82979 1.93090 1.94461 1.92641 1.96180 1.87140 1.86706 1.92408 1.91607 1.96048 1.93025 1.86637 2.03016 1.90845 1.86241 1.91224 1.87721 1.86585 2.02514 1.88012 1.86304 1.90341 1.90390 1.88347 2.02413 1.90274 1.86187 1.92288 1.88328 1.86119 1.95961 1.91716 1.97225 1.87393 1.89263 1.84210 1.93110 1.94373 1.94267 1.88228 1.87780 1.88364 2.12420 2.09789 2.06109 1.92565 2.14397 2.21353 2.11925 2.08724 2.07668 2.12099 2.08711 2.07507 2.07385 2.10561 2.10372 2.07255 2.10701 2.10360 1.99998 2.12659 2.15660 2.08266 2.08204 2.11849 0.93547 2.86033 -1.25114 -3.11787 -0.01000 -1.27956 0.85880 2.87783 1.90252 -2.24231 -0.22328 0.01007 -3.12378 3.11544 -0.01841 0.00699 -3.13985 -0.00537 3.12809 -0.00123 -3.13747 1.19144 -1.10997 3.13794 -0.77982 -3.08123 1.16668 -2.98959 0.99219 -1.04309 -1.36418 0.78012 2.91352 0.69034 2.83464 -1.31514 2.87220 -1.26669 0.86671 -3.03761 1.11953 -0.93365 1.07860 -1.04745 -3.10063 -0.98779 -3.11383 1.11617 0.56033 -1.51639 2.68671 2.88612 0.80940 -1.27069 -1.35035 2.85611 0.77603 1.06956 -3.03681 -1.02466 -1.12012 1.05669 3.06885 3.09768 -1.00869 1.00347 -0.35077 -2.48715 1.74436 -2.56997 1.57684 -0.47484 1.62727 -0.50911 -2.56078 1.37572 -0.80607 -2.80969 -2.83350 1.26790 -0.73571 -0.74250 -2.92429 1.35528 -0.12930 1.98415 -2.21532 1.95044 -2.21929 -0.13559 -2.24440 -0.13094 1.95276 0.86822 2.95205 -1.27927 -1.30666 0.77717 2.82903 2.95446 -1.24490 0.80697 2.98030 0.88698 -1.21589 -1.05892 3.13095 1.02808 0.97035 -1.12297 3.05735 -1.82508 1.31470 0.34636 -2.79705 2.37193 -0.77147 3.12292 -0.01348 -0.01690 3.12988 -3.12838 0.00911 0.01146 -3.13423 0.00813 -3.13442 -3.13862 0.00201 0.00258 3.13685 -3.13494 -0.00067 -3.13600 0.00661 0.00655 -3.13403 3.13076 -0.01185 -0.00353 3.13705 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00003 -0.00001 -0.00001 0.00001 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 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00002 0.00001 0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00004 0.00000 0.00002 0.00002 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 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -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 0.00001 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 -0.00001 -0.00000 -0.00000 0.00001 -0.00003 -0.00000 -0.00000 -0.00001 0.00001 -0.00005 -0.00003 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00004 -0.00000 0.00003 -0.00003 -0.00004 -0.00001 0.00004 -0.00004 0.00007 -0.00000 -0.00002 -0.00004 0.00005 -0.00005 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00004 -0.00004 -0.00008 0.00005 0.00004 -0.00000 0.00003 -0.00003 -0.00000 0.00002 -0.00001 -0.00001 0.00003 -0.00003 0.00008 -0.00004 -0.00003 -0.00001 -0.00002 0.00002 0.00000 -0.00001 0.00001 -0.00012 0.00002 -0.00003 0.00010 0.00003 0.00001 0.00011 -0.00001 -0.00008 0.00001 -0.00005 0.00001 -0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00003 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00002 -0.00000 0.00000 -0.00000 -0.00000 0.00003 -0.00002 -0.00001 -0.00000 -0.00001 0.00001 -0.00025 -0.00027 -0.00030 0.00009 0.00013 -0.00001 0.00005 0.00006 -0.00007 -0.00001 0.00000 0.00002 -0.00020 0.00007 -0.00015 -0.00025 0.00003 -0.00016 0.00007 0.00026 -0.00002 0.00003 0.00001 0.00003 0.00006 0.00004 0.00007 0.00013 0.00010 0.00013 0.00003 -0.00005 -0.00001 0.00005 -0.00003 0.00001 -0.00000 -0.00009 -0.00004 0.00002 0.00000 -0.00008 -0.00006 -0.00008 -0.00016 -0.00000 -0.00002 -0.00011 -0.00016 -0.00017 -0.00016 -0.00018 -0.00019 -0.00017 -0.00018 -0.00018 -0.00017 -0.00015 -0.00017 -0.00015 -0.00019 -0.00021 -0.00019 -0.00018 -0.00020 -0.00018 -0.00016 -0.00026 -0.00023 -0.00016 -0.00026 -0.00023 -0.00018 -0.00029 -0.00026 0.00008 -0.00001 0.00002 0.00003 -0.00005 -0.00002 0.00007 -0.00002 0.00002 0.00020 0.00028 0.00027 0.00024 0.00031 0.00030 0.00023 0.00030 0.00029 0.00015 0.00013 0.00017 0.00018 0.00016 0.00019 0.00017 0.00015 0.00018 0.00008 0.00008 0.00009 0.00005 0.00005 0.00006 0.00005 0.00005 0.00006 -0.00044 -0.00028 -0.00035 -0.00020 -0.00037 -0.00021 0.00020 0.00010 0.00005 -0.00005 -0.00020 -0.00015 -0.00005 -0.00000 0.00000 -0.00005 0.00010 0.00005 -0.00000 0.00003 -0.00005 -0.00002 -0.00006 -0.00005 -0.00001 -0.00000 0.00006 0.00005 0.00003 0.00003 -0.00000 0.00000 -0.00000 -0.00003 0.00005 0.00000 -0.00001 0.00000 -0.00003 0.00004 -0.00003 -0.00009 0.00000 -0.00000 0.00002 0.00002 0.00001 0.00002 0.00004 0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00003 0.00000 0.00002 0.00003 0.00002 -0.00001 0.00001 0.00002 0.00000 0.00002 0.00000 0.00001 0.00000 0.00000 0.00001 0.00002 0.00002 0.00000 0.00002 0.00001 0.00002 -0.00000 0.00000 -0.00000 0.00001 0.00010 0.00002 -0.00003 -0.00000 0.00005 0.00003 -0.00003 -0.00001 -0.00001 0.00007 0.00002 -0.00005 -0.00008 0.00001 0.00003 -0.00001 0.00006 0.00002 -0.00008 -0.00012 0.00011 0.00013 -0.00000 -0.00003 0.00003 -0.00001 -0.00001 0.00001 0.00001 -0.00003 0.00001 -0.00002 0.00002 0.00001 0.00000 -0.00002 0.00002 0.00003 -0.00003 -0.00000 -0.00000 -0.00001 0.00004 0.00007 0.00010 -0.00004 -0.00012 -0.00004 -0.00014 -0.00003 0.00014 0.00003 0.00005 -0.00003 0.00002 0.00002 -0.00001 -0.00001 0.00004 -0.00007 0.00001 0.00001 0.00002 -0.00002 -0.00001 -0.00002 0.00006 -0.00004 -0.00002 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00000 0.00003 -0.00002 -0.00001 0.00001 -0.00001 0.00000 -0.00004 0.00002 0.00003 0.00001 0.00002 -0.00003 0.00013 0.00020 0.00013 0.00001 -0.00020 -0.00004 -0.00002 0.00002 0.00020 0.00022 0.00026 0.00012 -0.00002 -0.00010 -0.00024 0.00022 0.00004 0.00001 0.00016 -0.00015 0.00003 -0.00004 0.00006 0.00001 -0.00006 0.00004 -0.00001 -0.00006 0.00004 -0.00001 0.00009 0.00013 0.00008 0.00009 0.00012 0.00008 0.00013 0.00017 0.00013 -0.00002 -0.00010 0.00004 0.00001 -0.00007 0.00007 -0.00006 -0.00014 0.00000 -0.00002 -0.00005 -0.00000 -0.00010 -0.00012 -0.00008 -0.00004 -0.00007 -0.00002 -0.00021 -0.00018 -0.00019 -0.00007 -0.00004 -0.00006 -0.00016 -0.00012 -0.00014 -0.00006 -0.00007 -0.00004 0.00006 0.00006 0.00008 0.00002 0.00002 0.00004 0.00002 0.00011 0.00010 -0.00006 0.00003 0.00001 -0.00001 0.00008 0.00007 0.00004 0.00002 0.00001 0.00005 0.00003 0.00001 0.00003 0.00001 -0.00000 0.00002 0.00003 -0.00005 -0.00003 -0.00001 -0.00010 -0.00002 -0.00000 -0.00008 -0.00001 -0.00000 0.00000 0.00003 0.00004 0.00004 0.00002 0.00003 0.00003 0.00043 0.00042 0.00031 0.00029 0.00031 0.00030 -0.00011 -0.00008 -0.00010 -0.00006 0.00010 0.00008 0.00008 0.00007 0.00003 0.00006 -0.00001 0.00002 0.00001 -0.00003 0.00002 -0.00001 0.00005 0.00007 0.00002 0.00003 -0.00007 -0.00008 -0.00004 -0.00005 -0.00001 0.00000 -0.00001 -0.00003 0.00003 -0.00000 -0.00001 -0.00000 -0.00002 -0.00000 -0.00006 -0.00011 -0.00001 -0.00002 0.00002 -0.00001 -0.00000 0.00003 0.00006 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00002 0.00001 0.00001 0.00002 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00002 0.00002 0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00007 0.00002 0.00000 -0.00003 0.00002 0.00002 0.00001 -0.00005 0.00006 0.00007 -0.00001 -0.00009 -0.00003 -0.00004 0.00003 -0.00000 0.00005 0.00002 -0.00008 -0.00008 0.00007 0.00005 0.00005 0.00000 0.00002 0.00002 -0.00004 0.00001 0.00003 -0.00004 0.00000 0.00001 -0.00001 0.00008 -0.00004 -0.00004 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00008 0.00009 0.00007 0.00005 -0.00010 -0.00002 -0.00004 -0.00004 0.00006 0.00004 0.00000 -0.00003 0.00002 0.00001 0.00001 -0.00002 0.00002 -0.00004 0.00002 -0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00005 -0.00003 -0.00002 -0.00002 0.00003 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00002 -0.00000 -0.00002 0.00001 -0.00001 0.00000 -0.00002 0.00000 0.00002 0.00001 0.00002 -0.00003 -0.00012 -0.00007 -0.00016 0.00009 -0.00007 -0.00005 0.00003 0.00008 0.00014 0.00022 0.00027 0.00014 -0.00022 -0.00003 -0.00039 -0.00003 0.00007 -0.00015 0.00023 0.00011 0.00001 -0.00001 0.00006 0.00004 0.00001 0.00008 0.00006 0.00007 0.00014 0.00012 0.00012 0.00007 0.00008 0.00014 0.00009 0.00010 0.00013 0.00008 0.00008 0.00000 -0.00010 -0.00004 -0.00005 -0.00015 -0.00009 -0.00006 -0.00016 -0.00011 -0.00018 -0.00022 -0.00016 -0.00028 -0.00031 -0.00025 -0.00022 -0.00025 -0.00019 -0.00036 -0.00035 -0.00035 -0.00026 -0.00025 -0.00025 -0.00034 -0.00033 -0.00032 -0.00022 -0.00033 -0.00027 -0.00010 -0.00020 -0.00015 -0.00016 -0.00027 -0.00021 0.00010 0.00010 0.00012 -0.00003 -0.00002 -0.00001 0.00006 0.00006 0.00008 0.00024 0.00030 0.00027 0.00028 0.00034 0.00031 0.00026 0.00032 0.00029 0.00017 0.00016 0.00012 0.00015 0.00014 0.00010 0.00015 0.00015 0.00010 0.00007 0.00008 0.00009 0.00008 0.00009 0.00010 0.00007 0.00008 0.00009 -0.00000 0.00014 -0.00005 0.00009 -0.00006 0.00008 0.00008 0.00003 -0.00005 -0.00011 -0.00010 -0.00007 0.00003 0.00006 0.00003 0.00001 0.00009 0.00007 0.00001 -0.00000 -0.00002 -0.00003 -0.00001 0.00001 0.00001 0.00003 -0.00001 -0.00003 -0.00000 -0.00002 3.34336 2.72564 1.82038 2.57209 2.75685 2.54197 2.49766 2.50646 2.57213 2.92963 2.92701 2.91686 2.91022 2.92245 2.06961 2.93592 2.91615 2.06869 2.92510 2.06462 2.06256 2.06516 2.06574 2.90695 2.90601 2.07042 2.06299 2.05500 2.85426 2.06348 2.06963 2.06645 2.06853 2.07064 2.06824 2.06855 2.06883 2.64256 2.64664 2.03560 2.63614 2.05009 2.63194 2.05070 2.62729 2.04663 2.62966 2.04645 2.04019 1.90537 2.13681 1.90869 2.23710 1.79522 1.79521 1.96272 1.84965 1.84425 1.77517 1.99420 2.03640 1.79919 2.08455 1.81807 2.04291 1.86623 1.83174 1.80364 2.05448 1.86434 1.93910 1.90235 1.89383 1.82981 1.93091 1.94457 1.92642 1.96183 1.87137 1.86706 1.92409 1.91606 1.96056 1.93021 1.86632 2.03016 1.90846 1.86241 1.91224 1.87720 1.86585 2.02506 1.88021 1.86310 1.90347 1.90380 1.88344 2.02409 1.90270 1.86193 1.92292 1.88328 1.86117 1.95963 1.91717 1.97226 1.87391 1.89266 1.84205 1.93111 1.94372 1.94269 1.88227 1.87780 1.88363 2.12425 2.09786 2.06108 1.92563 2.14400 2.21353 2.11925 2.08724 2.07668 2.12100 2.08710 2.07507 2.07387 2.10561 2.10371 2.07256 2.10700 2.10360 1.99996 2.12660 2.15661 2.08267 2.08206 2.11846 0.93535 2.86026 -1.25130 -3.11777 -0.01007 -1.27961 0.85883 2.87790 1.90265 -2.24209 -0.22301 0.01021 -3.12400 3.11541 -0.01880 0.00696 -3.13978 -0.00552 3.12832 -0.00112 -3.13746 1.19143 -1.10991 3.13798 -0.77982 -3.08115 1.16674 -2.98952 0.99233 -1.04297 -1.36406 0.78019 2.91359 0.69048 2.83473 -1.31505 2.87233 -1.26661 0.86680 -3.03761 1.11943 -0.93369 1.07855 -1.04759 -3.10072 -0.98785 -3.11400 1.11607 0.56015 -1.51661 2.68655 2.88584 0.80909 -1.27094 -1.35057 2.85586 0.77584 1.06920 -3.03716 -1.02500 -1.12038 1.05644 3.06860 3.09735 -1.00901 1.00315 -0.35099 -2.48747 1.74409 -2.57007 1.57664 -0.47499 1.62711 -0.50937 -2.56100 1.37582 -0.80597 -2.80957 -2.83353 1.26788 -0.73572 -0.74244 -2.92422 1.35536 -0.12906 1.98445 -2.21505 1.95072 -2.21895 -0.13527 -2.24414 -0.13063 1.95305 0.86839 2.95221 -1.27916 -1.30651 0.77731 2.82913 2.95462 -1.24475 0.80707 2.98037 0.88706 -1.21580 -1.05884 3.13103 1.02817 0.97042 -1.12289 3.05743 -1.82508 1.31484 0.34631 -2.79695 2.37188 -0.77139 3.12300 -0.01346 -0.01695 3.12977 -3.12848 0.00904 0.01150 -3.13416 0.00816 -3.13441 -3.13853 0.00208 0.00259 3.13685 -3.13496 -0.00070 -3.13601 0.00662 0.00656 -3.13399 3.13074 -0.01189 -0.00353 3.13703 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000043 0.000006 0.000860 0.000236 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.398357e-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 1.7692 1.4423 0.9633 1.3611 1.4588 1.3452 1.3217 1.3264 1.3611 1.5503 1.5489 1.5436 1.54 1.5465 1.0952 1.5536 1.5432 1.0947 1.5479 1.0925 1.0915 1.0928 1.0931 1.5383 1.5378 1.0956 1.0917 1.0875 1.5104 1.0919 1.0952 1.0935 1.0946 1.0957 1.0945 1.0946 1.0948 1.3984 1.4005 1.0772 1.395 1.0849 1.3928 1.0852 1.3903 1.083 1.3916 1.0829 1.0796 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 21 109.1659 122.4289 109.3599 128.1781 102.8575 102.8569 112.455 105.9797 105.6642 101.7061 114.2596 116.6819 103.0878 119.4384 104.1661 117.0501 106.9246 104.9499 103.3452 117.7178 106.8148 111.0997 108.9939 108.5085 104.839 110.6322 111.4179 110.3754 112.4028 107.2236 106.9744 110.2417 109.7826 112.3272 110.595 106.9349 116.3196 109.346 106.7085 109.5631 107.5562 106.9052 116.0319 107.7228 106.7441 109.0576 109.0852 107.9147 115.9742 109.0189 106.6775 110.173 107.9039 106.6385 112.2774 109.8455 113.0018 107.3685 108.44 105.5443 110.6438 111.3672 111.3068 107.8466 107.5902 107.9249 121.7075 120.2005 118.092 110.3318 122.8405 126.8261 121.4242 119.5902 118.9849 121.5239 119.5828 118.8929 118.8229 120.6427 120.5344 118.7484 120.723 120.5273 114.5905 121.8449 123.5639 119.3276 119.2919 121.3804 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 53.5986 163.8849 -71.6849 -178.6406 -0.5732 -73.3134 49.2057 164.8873 109.0063 -128.4747 -12.793 0.5768 -178.9795 178.5016 -1.0547 0.4005 -179.9001 -0.3078 179.2265 -0.0705 -179.7641 68.2643 -63.5964 179.7908 -44.6805 -176.5412 66.846 -171.2911 56.8482 -59.7646 -78.1619 44.6975 166.9322 39.5537 162.4131 -75.3521 164.5649 -72.5757 49.659 -174.0423 64.1444 -53.494 61.799 -60.0143 -177.6527 -56.5962 -178.4096 63.952 32.1047 -86.8829 153.937 165.3627 46.3751 -72.805 -77.3693 163.6431 44.4631 61.2813 -173.9963 -58.7084 -64.1782 60.5441 175.832 177.4842 -57.7934 57.4945 -20.0978 -142.503 99.9444 -147.2484 90.3464 -27.2062 93.2357 -29.1696 -146.7222 78.8229 -46.1844 -160.9831 -162.3474 72.6453 -42.1533 -42.5421 -167.5494 77.652 -7.4086 113.6836 -126.9288 111.7517 -127.1561 -7.7685 -128.5948 -7.5026 111.885 49.7455 169.14 -73.2969 -74.866 44.5285 162.0916 169.2782 -71.3273 46.2358 170.7588 50.8204 -69.6652 -60.6715 179.3901 58.9044 55.5971 -64.3413 175.173 -104.5693 75.3269 19.8449 -160.259 135.9017 -44.2021 178.9299 -0.7726 -0.9683 179.3291 -179.2431 0.5222 0.6568 -179.578 0.4659 -179.589 -179.8298 0.1153 0.148 179.7283 -179.6188 -0.0385 -179.6795 0.3788 0.3753 -179.5664 179.3791 -0.6792 -0.2021 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0613482511 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 7.140601 0.000000 6.261472 3.700981 0.000000 7.453682 4.491381 1.334929 0.000000 6.464781 5.765327 2.172330 2.237175 0.000000 7.007173 1.412739 2.530141 3.274846 4.501726 0.000000 8.447527 2.461157 3.077266 3.200401 4.826570 1.543672 0.000000 6.819601 2.362787 3.143471 4.017998 4.592245 1.543506 2.397290 0.000000 9.173270 2.881237 4.368636 4.593528 5.937357 2.393454 1.526516 2.475916 0.000000 8.307902 3.017705 4.313508 4.862668 5.650684 2.445300 2.409410 1.548883 1.533613 0.000000 9.331878 3.168161 3.717623 3.444438 5.504169 2.663578 1.537188 3.869153 2.612384 3.854191 0.000000 6.134670 2.374229 1.445306 2.432894 3.578920 1.540769 2.581580 2.609798 3.816279 3.842131 3.215490 0.000000 6.024620 2.780569 4.113619 5.222347 5.441675 2.627655 3.804662 1.533740 3.697368 2.531246 5.180151 3.411101 0.000000 9.788261 3.122140 4.816562 4.736298 6.795804 3.304119 2.607995 4.600123 3.230958 4.523633 1.528954 3.938876 5.637232 0.000000 10.654677 4.571326 4.709393 4.096082 6.111890 3.947143 2.498213 4.859633 3.098388 4.480948 1.528322 4.541508 6.288511 2.492681 0.000000 4.522834 3.425184 3.980319 5.267068 5.107772 3.271103 4.687679 2.574065 4.952298 3.909093 5.932171 3.379612 1.502028 6.405077 7.167386 0.000000 5.581242 4.650829 1.335423 2.181008 1.311166 3.491859 4.162404 3.599082 5.256449 4.865980 4.985784 2.504096 4.299605 6.118787 5.870540 3.876045 0.000000 3.988841 3.432769 4.386292 5.695318 5.731836 3.684780 5.220494 3.511359 5.645661 4.856546 6.218147 3.518090 2.528546 6.439758 7.608234 1.392803 4.434929 0.000000 3.987142 4.646755 4.170355 5.426747 4.675524 4.181868 5.466279 3.319535 5.794454 4.633248 6.763059 4.036096 2.512590 7.450379 7.884580 1.393565 3.607605 2.388018 0.000000 2.701711 4.631514 4.907525 6.217190 5.948789 4.796657 6.329357 4.715324 6.915430 6.143705 7.226680 4.250865 3.807749 7.475783 8.637382 2.424465 4.723617 1.387413 2.769576 0.000000 2.701457 5.599540 4.713827 5.969690 4.928780 5.192066 6.535442 4.573420 7.038625 5.967391 7.704695 4.692753 3.798053 8.369841 8.883750 2.426699 3.949583 2.773109 1.387047 2.410341 0.000000 7.498709 5.611855 2.067020 1.308579 1.346818 4.321080 4.277038 4.732705 5.524445 5.587746 4.650766 3.461450 5.854760 6.009334 5.086833 5.763020 2.072718 6.317704 5.603774 6.684484 6.007519 0.000000 1.733867 5.578501 5.044435 6.332516 5.565357 5.437351 6.900783 5.137495 7.515050 6.602559 7.898960 4.772528 4.290815 8.367165 9.214446 2.788974 4.490097 2.391681 2.389725 1.385484 1.386022 6.527993 0.000000 8.461257 3.349831 2.690518 2.576470 4.057104 2.115284 1.096766 2.591417 2.116640 2.674576 2.105801 2.753112 4.114691 3.486815 2.614921 4.890745 3.624859 5.593123 5.404944 6.601912 6.441714 3.455345 6.965098 0.000000 6.619756 3.276733 2.702868 3.542774 3.712455 2.147884 2.783106 1.094895 3.084287 2.160844 4.239338 2.707163 2.144049 5.235196 5.078362 2.771683 2.852404 3.875845 3.044082 4.878340 4.241784 3.995987 5.014509 2.523409 0.000000 9.525228 2.727436 5.077697 5.366116 6.831952 2.794486 2.171566 3.065820 1.091964 2.172506 2.845314 4.263249 3.988527 2.903529 3.433398 5.273077 6.047960 5.777118 6.298304 7.093482 7.528026 6.407010 7.860616 3.036982 3.894691 0.000000 10.108264 3.951709 5.000610 4.987797 6.334973 3.366723 2.188074 3.354487 1.090284 2.192134 2.957023 4.672387 4.620412 3.689489 2.871179 5.900297 5.847230 6.681044 6.622812 7.935449 7.885993 5.808478 8.458141 2.419392 3.745531 1.753020 0.000000 8.698051 4.044768 4.623697 5.050314 5.571068 3.254591 3.015677 2.178125 2.179583 1.090990 4.452069 4.472495 3.131160 5.327314 4.806808 4.417744 4.979238 5.543115 4.854057 6.755921 6.197937 5.557365 7.022002 2.900280 2.284610 2.999968 2.366655 0.000000 8.546824 3.273409 5.227698 5.880480 6.610465 3.137182 3.288859 2.192479 2.182649 1.091772 4.621413 4.582528 2.530252 5.008379 5.278520 4.029225 5.738921 4.917001 4.870725 6.266585 6.230402 6.627518 6.814304 3.722078 2.965360 2.343948 2.800571 1.748110 0.000000 8.929281 3.502718 3.182912 2.740542 4.931160 2.875984 2.133057 4.216189 3.507239 4.537101 1.094442 2.857202 5.497122 2.135009 2.117814 5.993573 4.491642 6.176882 6.720976 7.016758 7.504359 3.989319 7.625354 2.386540 4.416966 3.835451 3.897662 5.091791 5.379358 0.000000 6.674694 2.626790 2.051977 2.591242 4.149725 2.167431 2.859964 3.533676 4.229462 4.582741 2.937013 1.092094 4.337403 3.447432 4.327221 4.305639 3.245887 4.183872 5.035644 4.808451 5.572132 3.771232 5.456865 3.172961 3.734420 4.522929 5.042946 5.283160 5.298774 2.350636 0.000000 5.118466 2.594372 2.052005 3.261096 3.878043 2.168043 3.513340 2.876310 4.553966 4.308584 4.220982 1.088410 3.168222 4.747216 5.597516 2.709324 2.633101 2.588385 3.383084 3.183092 3.863453 4.082977 3.762330 3.731401 3.001438 4.908161 5.494179 4.968928 4.884625 3.883131 1.748577 0.000000 6.492480 2.471815 4.797421 5.869067 6.356773 2.866873 4.013178 2.159383 3.732337 2.776211 5.245909 3.824948 1.091086 5.406452 6.413625 2.137334 5.173807 2.654088 3.375852 4.027092 4.540730 6.653575 4.786010 4.572676 3.048934 3.713459 4.718471 3.592683 2.443148 5.670534 4.571059 3.571476 0.000000 6.452738 3.765454 4.852366 5.898385 5.876300 3.513636 4.456617 2.122561 4.078287 2.652040 5.924242 4.358714 1.093846 6.458327 6.870748 2.117303 4.855175 3.318134 2.667527 4.481718 4.020378 6.381346 4.748964 4.633600 2.466152 4.434626 4.844055 2.939259 2.460687 6.317965 5.334579 4.160325 1.744346 0.000000 7.617663 0.961829 3.952288 4.563391 6.106489 1.960670 2.639568 3.217134 3.258370 3.755382 2.838494 2.591299 3.735415 2.459854 4.305339 4.261669 5.056554 4.075023 5.463202 5.142648 6.309831 5.786875 6.158895 3.605652 4.047935 2.965127 4.244097 4.771047 4.050580 3.101983 2.426059 2.925729 3.388045 4.727072 0.000000 10.189612 3.158510 5.470518 5.506687 7.448586 3.546792 2.838599 4.596878 2.906674 4.228845 2.194710 4.516121 5.530557 1.091091 2.891324 6.488272 6.710829 6.587480 7.609610 7.742028 8.636243 6.746683 8.680939 3.819299 5.367952 2.263626 3.327973 5.068870 4.517792 3.063209 4.211479 5.248888 5.158333 6.255198 2.647934 0.000000 10.666934 4.182684 5.559583 5.277285 7.446164 4.334122 3.522356 5.651336 4.145369 5.525592 2.160027 4.802166 6.723754 1.091900 2.606075 7.457029 6.886278 7.442356 8.477173 8.416474 9.352055 6.523758 9.310779 4.255687 6.223073 3.818014 4.413118 6.262650 6.023435 2.538412 4.163321 5.635873 6.493636 7.541686 3.447211 1.753529 0.000000 9.126368 2.729530 4.693491 4.812179 6.791807 3.211888 3.033035 4.630861 3.795448 4.849630 2.208691 3.610086 5.457511 1.092543 3.454621 6.031553 5.984978 5.846531 7.141103 6.794941 7.946138 6.119676 7.778589 3.955928 5.320211 3.418185 4.465694 5.758873 5.264541 2.439287 2.975056 4.242268 5.155221 6.389920 1.852460 1.768110 1.732273 0.000000 11.305712 5.309383 5.332558 4.571623 6.691914 4.791286 3.454361 5.845754 4.141727 5.547716 2.171326 5.184718 7.247838 2.750138 1.091648 8.043905 6.532091 8.371950 8.773118 9.332475 9.696953 5.548892 9.941913 3.577199 6.057184 4.348810 3.919973 5.897707 6.320451 2.424505 4.768955 6.236376 7.336051 7.888963 4.882293 3.299277 2.415204 3.663921 0.000000 10.592037 5.038772 4.455257 3.677668 5.515235 4.136830 2.683340 4.842626 3.326028 4.493335 2.181189 4.615254 6.353092 3.459977 1.092031 7.189632 5.469390 7.774956 7.728258 8.756955 8.714843 4.455854 9.176548 2.333665 4.829565 3.947171 2.952319 4.590141 5.414057 2.499029 4.557084 5.694273 6.651771 6.841293 4.923848 3.871042 3.648912 4.329957 1.759826 0.000000 11.260006 4.804929 5.499580 5.018052 6.918334 4.334889 2.844289 5.052166 2.873661 4.348094 2.185425 5.215104 6.423144 2.744796 1.092188 7.479436 6.618640 7.980673 8.260947 9.114576 9.362989 5.978662 9.738278 3.102008 5.386320 3.042586 2.400129 4.647866 4.999002 3.048944 5.097487 6.222829 6.446408 6.903784 4.601248 2.720344 2.872580 3.813318 1.757461 1.763104 0.000000 4.623627 4.716542 2.125604 3.208378 2.138811 3.732944 4.695924 3.575433 5.624543 4.982171 5.671462 2.830309 3.882400 6.672588 6.672206 3.160745 1.079315 3.731269 2.675146 3.887358 2.878730 3.131012 3.492494 4.297272 2.872132 6.349420 6.315356 5.126341 5.710323 5.266603 3.693313 2.550443 4.797532 4.385401 5.242872 7.174780 7.523293 6.436600 7.391538 6.340070 7.341566 0.000000 4.834661 2.890836 4.718340 5.947963 6.354895 3.546375 5.046388 3.637198 5.409426 4.814994 5.900466 3.577055 2.739127 5.876356 7.343775 2.146408 5.044050 1.082865 3.374389 2.133016 3.855903 6.752629 3.368297 5.616839 4.256045 5.344619 6.487996 5.660176 4.771283 5.938601 4.047519 2.766982 2.447380 3.642586 3.427042 5.955033 6.861606 5.202897 8.061481 7.659359 7.656143 4.505968 0.000000 4.832895 5.097544 4.366876 5.493466 4.563219 4.433651 5.501995 3.305397 5.690574 4.407588 6.900886 4.461206 2.713711 7.733402 7.858664 2.148555 3.691720 3.375623 1.084050 3.853515 2.131490 5.523586 3.366761 5.287135 2.803135 6.316717 6.386637 4.386674 4.686681 6.927605 5.528858 4.029266 3.712209 2.505595 5.961542 7.846193 8.760433 7.570245 8.803058 7.585044 8.180106 2.874472 4.278378 0.000000 2.852048 5.053481 5.557458 6.814949 6.699362 5.414685 6.941968 5.546587 7.584500 6.945477 7.675612 4.789330 4.673187 7.757527 9.144382 3.401507 5.490056 2.145728 3.851437 1.081875 3.392097 7.353743 2.148779 7.304991 5.799633 7.655210 8.635451 7.642450 7.033188 7.415646 5.140270 3.713739 4.715010 5.411996 5.409443 8.053771 8.636092 6.959348 9.757684 9.352769 9.644339 4.734115 2.454565 4.935371 0.000000 2.853235 6.569457 5.251755 6.410303 5.015524 6.028855 7.273868 5.330511 7.783085 6.665576 8.462876 5.475184 4.658178 9.240689 9.555416 3.403692 4.267036 3.854927 2.146091 3.392664 1.081843 6.229557 2.150320 7.046125 4.827387 8.360510 8.553998 6.747952 6.974652 8.221997 6.367046 4.725426 5.481805 4.722027 7.283349 9.535232 10.206267 8.867496 10.371256 9.282881 10.058872 3.206008 4.937736 2.452537 4.288949 0.000000 8.447436 6.528018 3.106861 2.090040 2.139009 5.229727 4.950059 5.655203 6.163407 6.349363 5.136809 4.448340 6.851748 6.540947 5.294113 6.822225 3.114835 7.396318 6.623850 7.748377 7.007336 1.079145 7.553895 4.052823 4.904347 7.071120 6.288596 6.223413 7.420378 4.452551 4.635665 5.127783 7.646910 7.329918 6.639451 7.309595 6.920936 6.754418 5.626163 4.538115 6.208106 4.144174 7.815890 6.470861 8.400418 7.150666 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4075800 0.1483193 0.1288167 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 7.700160 0.000000 6.082461 3.726935 0.000000 7.189089 4.527006 1.361107 0.000000 5.576740 5.825059 2.192835 2.257615 0.000000 7.265138 1.442348 2.547052 3.247083 4.573282 0.000000 8.584997 2.488361 3.149904 3.193337 4.993456 1.550294 0.000000 6.873501 2.389488 3.150707 3.916525 4.672626 1.548935 2.403544 0.000000 9.306328 2.923730 4.443082 4.559509 6.123002 2.419994 1.540030 2.492745 0.000000 8.331976 2.942629 4.409414 4.855994 5.894245 2.433896 2.447155 1.553623 1.547868 0.000000 9.584908 3.190786 3.804384 3.530668 5.677431 2.674287 1.546505 3.883457 2.632411 3.884835 0.000000 6.410250 2.380188 1.458848 2.471936 3.611845 1.543592 2.598566 2.632320 3.849817 3.869151 3.223673 0.000000 6.073794 2.862088 4.000620 5.052258 5.325524 2.646516 3.845400 1.543162 3.795845 2.553673 5.231001 3.376472 0.000000 10.241526 3.108583 4.861444 4.830452 6.912432 3.298189 2.620605 4.606378 3.273128 4.506501 1.538287 3.904563 5.702004 0.000000 10.792184 4.596966 4.844065 4.205916 6.380152 3.970522 2.516373 4.885220 3.102636 4.547206 1.537788 4.579089 6.351668 2.513028 0.000000 4.563642 3.742690 3.803459 5.032905 4.727489 3.399749 4.760196 2.589260 5.056176 3.915995 6.053346 3.459428 1.510398 6.610238 7.250491 0.000000 4.992446 4.700063 1.345157 2.208155 1.326364 3.578358 4.335052 3.736813 5.461292 5.125610 5.128673 2.522619 4.234044 6.188420 6.097661 3.593560 0.000000 4.027969 3.904928 4.087039 5.434039 5.104718 3.876837 5.390954 3.564220 5.892371 4.946791 6.458166 3.552801 2.541050 6.814748 7.811993 1.398377 3.857048 0.000000 4.025863 4.947214 4.103434 5.195520 4.349746 4.305723 5.462987 3.300838 5.754260 4.544694 6.821803 4.240010 2.524083 7.601327 7.863897 1.400540 3.496458 2.400296 0.000000 2.733630 5.162920 4.604499 5.933615 5.136246 5.022440 6.501697 4.766334 7.141379 6.215785 7.495005 4.371372 3.827572 7.918226 8.841148 2.436285 4.021644 1.394974 2.785614 0.000000 2.734177 5.999185 4.624383 5.718969 4.385034 5.365872 6.564364 4.571445 7.027446 5.897234 7.816499 4.955500 3.815278 8.613537 8.890301 2.437424 3.679945 2.787646 1.392753 2.425732 0.000000 6.869619 5.666651 2.097660 1.321711 1.361125 4.341011 4.359443 4.694251 5.587206 5.690643 4.800980 3.505807 5.685638 6.143397 5.301479 5.418549 2.101272 5.864077 5.245584 6.122398 5.532467 0.000000 1.769239 6.068376 4.835993 6.050830 4.779225 5.648130 7.002292 5.158421 7.618623 6.597818 8.099390 4.991391 4.304671 8.734989 9.319538 2.794441 3.922507 2.397684 2.395930 1.390296 1.391552 5.952250 0.000000 8.376471 3.368774 2.758534 2.505046 4.252789 2.105676 1.095178 2.590247 2.133798 2.781572 2.113043 2.760072 4.113490 3.498758 2.656453 4.840092 3.833683 5.593808 5.273365 6.573165 6.302677 3.519250 6.868148 0.000000 6.545461 3.312290 2.735697 3.376419 3.841797 2.139756 2.711285 1.094691 3.002362 2.172362 4.183486 2.770616 2.156898 5.187314 5.017109 2.712535 3.100545 3.817593 2.958721 4.802434 4.146976 3.916356 4.916819 2.428013 0.000000 9.924389 2.855766 5.182241 5.366106 7.027431 2.887589 2.179702 3.171446 1.092546 2.183378 2.811986 4.342594 4.232058 2.904897 3.326468 5.578289 6.267983 6.271141 6.449682 7.584361 7.734515 6.488216 8.213985 3.038724 3.897690 0.000000 10.052733 4.001108 5.026604 4.886878 6.473961 3.363285 2.188741 3.307699 1.091460 2.207922 3.013580 4.672618 4.656862 3.816649 2.921705 5.887865 6.009296 6.826718 6.413655 8.033524 7.682764 5.807734 8.392134 2.388833 3.556927 1.758160 0.000000 8.551235 4.005013 4.872084 5.194810 6.011607 3.318946 3.163002 2.186982 2.208036 1.092837 4.609394 4.615284 3.054231 5.403193 5.016688 4.288652 5.418300 5.496830 4.606455 6.678628 5.958944 5.835429 6.854209 3.168915 2.346119 2.968705 2.382672 0.000000 8.629983 3.012841 5.228663 5.809669 6.797563 3.011377 3.241559 2.181354 2.186602 1.093140 4.537308 4.479379 2.577346 4.836783 5.267861 4.078758 5.915360 5.019131 4.866651 6.363406 6.241352 6.680654 6.864020 3.777892 3.017881 2.316936 2.889624 1.756473 0.000000 9.173167 3.536961 3.264373 2.865130 5.072122 2.886998 2.136897 4.227172 3.523688 4.574184 1.095618 2.867357 5.520544 2.140902 2.131907 6.089097 4.595077 6.355768 6.794796 7.236316 7.632370 4.145194 7.813455 2.371549 4.370217 3.822386 3.923644 5.274615 5.295006 0.000000 7.134945 2.642962 2.071140 2.682522 4.169893 2.162149 2.835681 3.545731 4.228699 4.576525 2.895195 1.091682 4.334676 3.373584 4.306708 4.467991 3.232005 4.368530 5.302195 5.109571 5.939487 3.841466 5.834206 3.130295 3.762313 4.558057 5.021767 5.397858 5.146051 2.315069 0.000000 5.584420 2.554284 2.055450 3.312763 3.887974 2.159382 3.519710 2.907722 4.576139 4.310541 4.209762 1.087451 3.121558 4.672502 5.619806 2.867172 2.614119 2.620963 3.776878 3.385775 4.355082 4.126537 4.169253 3.743752 3.133167 4.986428 5.485490 5.068581 4.743778 3.881651 1.762002 0.000000 6.544292 2.436077 4.552652 5.637455 6.124752 2.801304 4.065331 2.161467 3.947775 2.883956 5.286928 3.608580 1.091945 5.455893 6.510129 2.147364 4.940670 2.654514 3.401020 4.039657 4.568796 6.420231 4.802358 4.586138 3.046799 4.101484 4.924304 3.609708 2.565904 5.639359 4.393017 3.252428 0.000000 6.495392 3.747198 4.859091 5.804851 5.951067 3.513756 4.464341 2.133268 4.083686 2.605304 5.934069 4.383355 1.095192 6.442109 6.895526 2.120804 4.988953 3.308938 2.693183 4.483719 4.043609 6.334598 4.756166 4.655461 2.564048 4.535520 4.795079 2.773952 2.463598 6.332074 5.357617 4.193864 1.754034 0.000000 8.330697 0.963309 4.016364 4.655488 6.196621 1.980061 2.619055 3.228473 3.230939 3.640188 2.812384 2.630443 3.820803 2.380778 4.268870 4.619312 5.125784 4.635598 5.813716 5.807650 6.796106 5.890323 6.772609 3.588566 4.064618 2.984298 4.241980 4.709686 3.736496 3.121768 2.481137 2.933190 3.363428 4.706012 0.000000 10.648968 3.118990 5.508880 5.571747 7.573123 3.530208 2.845070 4.594099 2.946100 4.182918 2.199420 4.475342 5.608756 1.093508 2.906500 6.707826 6.793923 7.005004 7.745595 8.217946 8.865463 6.865989 9.055506 3.835500 5.309084 2.254011 3.484046 5.083739 4.321792 3.066868 4.136773 5.162003 5.267172 6.220825 2.518105 0.000000 11.135870 4.171284 5.616207 5.404379 7.578460 4.332859 3.538643 5.662065 4.186505 5.521642 2.169746 4.772254 6.789165 1.094621 2.629122 7.659734 6.958720 7.816001 8.627172 8.865817 9.598287 6.690709 9.686551 4.274966 6.176432 3.794012 4.550572 6.363582 5.866460 2.545951 4.090203 5.563917 6.542729 7.530239 3.378857 1.763119 0.000000 9.683454 2.699868 4.679363 4.881870 6.817856 3.181252 3.028032 4.613699 3.832757 4.797688 2.210030 3.531010 5.493938 1.095728 3.472106 6.256574 5.959248 6.248411 7.347984 7.298895 8.271430 6.198683 8.229282 3.936564 5.266477 3.468583 4.572007 5.789827 5.036408 2.434515 2.872398 4.115781 5.131260 6.348225 1.791027 1.776058 1.744034 0.000000 11.493567 5.331754 5.469045 4.724466 6.957379 4.814088 3.473078 5.872098 4.150307 5.608622 2.179311 5.218455 7.308827 2.764617 1.094467 8.142357 6.739554 8.593412 8.781675 9.568367 9.742689 5.794970 10.087827 3.615333 6.003378 4.244065 3.983562 6.109121 6.288983 2.441777 4.745893 6.252072 7.413159 7.912927 4.848278 3.309724 2.432078 3.681798 0.000000 10.579095 5.075030 4.612861 3.771653 5.833049 4.165898 2.699289 4.871898 3.317580 4.593304 2.188516 4.673231 6.402579 3.479365 1.094626 7.208618 5.748579 7.883527 7.633442 8.837746 8.616170 4.685405 9.156128 2.379517 4.766716 3.839272 2.939163 4.859576 5.466997 2.509689 4.553177 5.748964 6.738617 6.881832 4.904933 3.886648 3.671662 4.342346 1.769289 0.000000 11.395241 4.803465 5.619848 5.098605 7.190205 4.341062 2.850850 5.062451 2.861587 4.389656 2.187872 5.235569 6.489208 2.760438 1.094774 7.563769 6.850327 8.212012 8.212710 9.340852 9.343529 6.176197 9.840575 3.145501 5.306411 2.885021 2.481287 4.806393 4.981832 3.057984 5.062018 6.222257 6.585616 6.905724 4.522439 2.730180 2.898120 3.827409 1.766520 1.770418 0.000000 3.981201 4.772025 2.131044 3.234042 2.152280 3.862194 4.908015 3.835347 5.904451 5.339069 5.810566 2.841408 3.919623 6.715620 6.905724 2.947961 1.077186 3.029698 2.812561 2.997740 2.782692 3.157167 2.859402 4.558420 3.322388 6.645190 6.560012 5.657450 5.982944 5.346330 3.642539 2.502645 4.594036 4.672748 5.297885 7.246532 7.555310 6.364702 7.585483 6.639209 7.592885 0.000000 4.875895 3.384027 4.376762 5.709007 5.743182 3.736474 5.284553 3.714732 5.774920 4.977223 6.204794 3.499408 2.749253 6.322346 7.641419 2.151875 4.432951 1.084854 3.387343 2.142319 3.872454 6.336742 3.377719 5.686660 4.223915 5.974033 6.791976 5.698971 4.913311 6.145967 4.129739 2.530730 2.431467 3.620160 4.019792 6.474335 7.304601 5.649635 8.368295 7.862800 8.005773 3.737608 0.000000 4.873679 5.283795 4.400312 5.293187 4.493748 4.495127 5.411706 3.248071 5.517535 4.234666 6.861600 4.667659 2.720212 7.758236 7.732259 2.154008 3.858068 3.387262 1.085179 3.870756 2.139603 5.275465 3.376200 5.106362 2.723970 6.302118 6.026605 4.047594 4.629623 6.931079 5.758052 4.427111 3.739990 2.549593 6.175050 7.835655 8.782890 7.654680 8.706809 7.404724 8.003581 3.418124 4.289706 0.000000 2.872563 5.632339 5.206358 6.527910 5.786202 5.660426 7.164243 5.614636 7.885272 7.059904 8.009540 4.874588 4.698194 8.297394 9.420618 3.417182 4.680698 2.158464 3.868643 1.083032 3.406013 6.750188 2.153108 7.308365 5.729992 8.242699 8.823925 7.609723 7.158480 7.681227 5.435629 3.818782 4.730078 5.413058 6.158414 8.643146 9.190644 7.564940 10.070073 9.489415 9.959342 3.687914 2.472735 4.953775 0.000000 2.872800 6.946808 5.235559 6.176975 4.558617 6.192900 7.263787 5.319293 7.701219 6.557656 8.535489 5.779275 4.680706 9.444428 9.500920 3.418765 4.150452 3.870578 2.157224 3.405685 1.082935 5.775160 2.154085 6.871895 4.736092 8.485996 8.251244 6.464540 6.965725 8.331324 6.765753 5.278902 5.518171 4.760012 7.745519 9.710427 10.412036 9.167566 10.360576 9.119710 9.962732 3.373878 4.955375 2.470417 4.298478 0.000000 7.719773 6.581336 3.138562 2.101968 2.154788 5.232772 5.006597 5.574000 6.184607 6.411431 5.293391 4.494806 6.650361 6.703414 5.515857 6.437179 3.143994 6.931731 6.176195 7.159618 6.428946 1.079619 6.908083 4.074073 4.752372 7.108385 6.238634 6.456378 7.449279 4.627472 4.722796 5.178790 7.409462 7.232859 6.749106 7.448695 7.132276 6.871392 5.905865 4.759726 6.408150 4.171243 7.414621 6.101347 7.782410 6.552712 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4437764 0.1443903 0.1257701 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= 678 677 677 678 678 MxSgAt= 47 MxSgA2= 47. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2161.2835123862 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 -0.0609993326 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2149.7401608638 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 -0.0600578265 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2167.0269503162 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 -0.0615211296 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2163.7809096897 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 -0.0612339737 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2160.0051547390 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 -0.0609568751 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2161.9098446729 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 -0.0611566137 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2160.4939748617 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 -0.0610023316 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2161.1389933278 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 -0.0610590125 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2161.1639423588 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 -0.0610649588 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2161.1358476246 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 -0.0610681949 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2161.1259253136 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 -0.0610783010 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2161.1855042456 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 -0.0611041344 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2161.5749946138 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 -0.0612114138 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2161.6860365729 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 -0.0612343497 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2162.8662533223 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 -0.0613815183 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2163.3051053707 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 -0.0614338654 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2163.2897638271 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 -0.0613532560 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2178.1726636022 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 -0.0624244994 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2162.2067223183 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 -0.0614393737 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2163.0219568599 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 -0.0614523772 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2164.2845245108 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 -0.0615458723 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2166.3914811927 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 -0.0617307243 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2165.0352896389 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 -0.0616230541 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2165.3280399379 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 -0.0616139318 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2165.8556111695 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 -0.0616132310 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2166.2800808597 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 -0.0616770263 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2167.2037808134 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 -0.0617098736 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2166.1739663691 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 -0.0616755321 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2166.2685684263 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 -0.0616530600 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2166.4750313226 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 -0.0616784246 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2166.4009635633 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 -0.0616794310 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2166.8433617466 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 -0.0617049669 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2166.7989571363 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 -0.0616990999 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 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= 1.03D-06 NBF= 658 NBsUse= 657 1.00D-06 EigRej= 7.79D-07 NBFU= 657 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= 677 677 677 677 677 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1399.75900331195 -1400.02000130445 -0.260997992498 -1400.36812435298 -0.348123048534 -1400.38734795127 -0.019223598291 -1400.39800120226 -0.010653250988 -1400.39844715668 -0.000445954420 -1400.39850775586 -0.000060599177 -1400.39851105312 -0.000003297261 -1400.39851130054 -0.000000247422 -1400.39851134893 -0.000000048394 -1400.39851135086 -0.000000001930 -1400.39851135141 -0.000000000550 -1400.39851135137 0.000000000038 -1400.39851135137 0.000000000003 -1400.39851135141 -0.000000000037 -1400.39851135164 -0.000000000230 -1400.39851135 16 1.395725179105e+03 -7.629480897859e+03 2.658045521801e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245781245 LenY= 4245316803 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. -1.14877746e+00 -1.32164257e+00 -3.08030862e-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 0.014165979 -0.003375159 0.005262574 -0.001424091 0.010892833 0.010117409 0.003228868 0.011170963 0.003623074 -0.016918269 -0.007278580 0.006798469 0.008985616 -0.008722508 -0.009595930 0.002726037 -0.009292695 -0.007048509 -0.001768799 -0.003021698 -0.000679327 0.002365012 -0.000297241 -0.004258513 -0.005487303 0.001661082 -0.002034612 -0.001513783 0.002937419 -0.004539291 0.000840887 -0.002234788 0.001791729 0.002412141 0.004064891 0.008039987 0.000597216 0.003851748 -0.001250936 -0.001718320 0.002021757 0.003927762 -0.003533103 -0.003186997 -0.001815207 -0.001129286 0.000997886 -0.000930993 0.012641599 0.013417249 -0.000914877 -0.002750505 0.002373510 0.002711054 -0.000566597 -0.000853864 -0.004512758 0.000274329 0.001334749 0.005084556 0.002355859 -0.002017003 -0.004014893 -0.004320930 -0.016393119 -0.005277252 -0.007266354 0.001504699 -0.002718708 0.001248581 0.000296907 0.000219243 0.000188553 -0.000122493 0.001540976 0.000410622 0.000208565 0.001201995 -0.000596873 -0.000857481 -0.000415629 0.000054299 -0.000716826 -0.001490724 0.000107686 0.000974508 0.000437418 0.000890298 0.000121702 0.000337777 -0.001786656 0.000555109 -0.000366010 -0.000526900 0.000693034 -0.001363771 -0.000850378 -0.000587158 0.001477099 0.000227437 -0.000003155 -0.001261960 -0.000980376 -0.000318697 0.001787624 -0.000216450 0.001354003 -0.001184257 -0.001524672 -0.001482596 0.000726104 0.002630830 0.001029813 0.000043735 -0.000803365 -0.001067798 0.001654744 0.000930475 -0.000946321 -0.001471899 -0.000746569 0.001732311 -0.000475378 -0.000907445 0.000365442 0.000630690 -0.000934613 0.000479800 0.000289646 -0.000643998 -0.000271288 -0.000841222 0.000838071 -0.000023838 0.000942268 0.001202903 -0.000467833 -0.000141179 -0.000407661 -0.000500843 -0.000042097 0.016918269 0.004240336 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1400.40253306429 -1400.40254777641 -0.000014712126 -1400.40254783939 -0.000000062981 -1400.40254793338 -0.000000093989 -1400.40254793930 -0.000000005920 -1400.40254794140 -0.000000002098 -1400.40254794129 0.000000000107 -1400.40254794132 -0.000000000024 -1400.40254794123 0.000000000088 -1400.40254794139 -0.000000000165 -1400.40254794 10 1.395092279554e+03 -7.611943526143e+03 2.649717163263e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245781245 LenY= 4245316803 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) PT437887.100S Mon Sep 6 02:50:40 2021 -1.57785486e+00 -1.22797199e+00 -4.71564898e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1400.4025479 2.842E-9 6.999E-6 -7.1243139,-5.4739454,12.5982594,3.8367939,-1.3280525,-1.0042389 C01 [X(C18H24Cl1N3O1)] -1.7405367 0.9896415 0.4594085 -0.000004190 -0.000002852 -0.000000793 -0.000010440 -0.000001691 -0.000011218 -0.000023092 -0.000007792 -0.000031696 0.000000651 0.000013091 0.000003699 -0.000009671 0.000002695 -0.000010284 0.000010427 0.000012116 0.000010262 -0.000005341 -0.000010178 -0.000008043 0.000009894 -0.000007042 0.000005264 -0.000000111 0.000001634 0.000016765 0.000003842 -0.000001645 0.000002028 0.000005330 0.000008720 0.000005082 -0.000011722 -0.000002232 -0.000005939 0.000000799 0.000001823 0.000002246 0.000010117 -0.000000540 0.000002609 -0.000003158 0.000004640 0.000002426 -0.000008327 -0.000016250 0.000003805 0.000019780 -0.000006172 0.000027340 0.000001604 -0.000005700 0.000004710 0.000000137 0.000006408 -0.000003833 -0.000006805 -0.000007510 -0.000005079 -0.000001932 0.000003301 0.000002970 0.000001727 -0.000009954 0.000001678 0.000017758 -0.000010835 0.000000263 0.000003819 -0.000007066 -0.000000579 0.000006462 -0.000003485 -0.000003002 -0.000003801 0.000001717 -0.000000487 -0.000001521 -0.000001405 0.000003109 0.000004868 0.000007264 0.000000614 -0.000001590 0.000002283 -0.000000547 -0.000001499 -0.000001239 -0.000001371 -0.000002369 0.000001845 0.000004398 -0.000003142 0.000009685 0.000000890 -0.000004266 0.000000841 -0.000002163 0.000003749 0.000002937 -0.000004835 0.000002780 0.000000892 0.000000756 -0.000004058 0.000007702 -0.000001369 0.000000827 0.000001281 0.000002076 0.000003499 0.000002982 0.000004183 -0.000003339 0.000001965 -0.000000524 -0.000000581 0.000000713 -0.000001501 -0.000001606 0.000003530 -0.000002447 0.000005030 0.000007422 -0.000007194 0.000000925 0.000002742 0.000000514 -0.000000932 0.000000285 -0.000001588 0.000002824 -0.000003427 0.000000096 0.000001009 -0.000002911 -0.000001246 -0.000004367 -0.000000586 -0.000002042 309.66509999999977 AuxInfo=1/0/N:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-DEPAZ20 PAULAPLA Optimization ipconazole_RSR CONF295 octanol 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization ipconazole_RSR CONF295 octanol 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_RSR/octanol/CONF295/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 1.7692 1.4423 0.9633 1.3611 1.4588 1.3452 1.3217 1.3264 1.3611 1.5503 1.5489 1.5436 1.54 1.5465 1.0952 1.5536 1.5432 1.0947 1.5479 1.0925 1.0915 1.0928 1.0931 1.5383 1.5378 1.0956 1.0917 1.0875 1.5104 1.0919 1.0952 1.0935 1.0946 1.0957 1.0945 1.0946 1.0948 1.3984 1.4005 1.0772 1.395 1.0849 1.3928 1.0852 1.3903 1.083 1.3916 1.0829 1.0796 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 21 109.1659 122.4289 109.3599 128.1781 102.8575 102.8569 112.455 105.9797 105.6642 101.7061 114.2596 116.6819 103.0878 119.4384 104.1661 117.0501 106.9246 104.9499 103.3452 117.7178 106.8148 111.0997 108.9939 108.5085 104.839 110.6322 111.4179 110.3754 112.4028 107.2236 106.9744 110.2417 109.7826 112.3272 110.595 106.9349 116.3196 109.346 106.7085 109.5631 107.5562 106.9052 116.0319 107.7228 106.7441 109.0576 109.0852 107.9147 115.9742 109.0189 106.6775 110.173 107.9039 106.6385 112.2774 109.8455 113.0018 107.3685 108.44 105.5443 110.6438 111.3672 111.3068 107.8466 107.5902 107.9249 121.7075 120.2005 118.092 110.3318 122.8405 126.8261 121.4242 119.5902 118.9849 121.5239 119.5828 118.8929 118.8229 120.6427 120.5344 118.7484 120.723 120.5273 114.5905 121.8449 123.5639 119.3276 119.2919 121.3804 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 53.5986 163.8849 -71.6849 -178.6406 -0.5732 -73.3134 49.2057 164.8873 109.0063 -128.4747 -12.793 0.5768 -178.9795 178.5016 -1.0547 0.4005 -179.9001 -0.3078 179.2265 -0.0705 -179.7641 68.2643 -63.5964 179.7908 -44.6805 -176.5412 66.846 -171.2911 56.8482 -59.7646 -78.1619 44.6975 166.9322 39.5537 162.4131 -75.3521 164.5649 -72.5757 49.659 -174.0423 64.1444 -53.494 61.799 -60.0143 -177.6527 -56.5962 -178.4096 63.952 32.1047 -86.8829 153.937 165.3627 46.3751 -72.805 -77.3693 163.6431 44.4631 61.2813 -173.9963 -58.7084 -64.1782 60.5441 175.832 177.4842 -57.7934 57.4945 -20.0978 -142.503 99.9444 -147.2484 90.3464 -27.2062 93.2357 -29.1696 -146.7222 78.8229 -46.1844 -160.9831 -162.3474 72.6453 -42.1533 -42.5421 -167.5494 77.652 -7.4086 113.6836 -126.9288 111.7517 -127.1561 -7.7685 -128.5948 -7.5026 111.885 49.7455 169.14 -73.2969 -74.866 44.5285 162.0916 169.2782 -71.3273 46.2358 170.7588 50.8204 -69.6652 -60.6715 179.3901 58.9044 55.5971 -64.3413 175.173 -104.5693 75.3269 19.8449 -160.259 135.9017 -44.2021 178.9299 -0.7726 -0.9683 179.3291 -179.2431 0.5222 0.6568 -179.578 0.4659 -179.589 -179.8298 0.1153 0.148 179.7283 -179.6188 -0.0385 -179.6795 0.3788 0.3753 -179.5664 179.3791 -0.6792 -0.2021 179.7396 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00071 0.00254 0.00282 0.00289 0.00312 0.00339 0.00472 0.00769 0.00850 0.01013 0.01449 0.01720 0.01742 0.01833 0.02031 0.02122 0.02245 0.02306 0.02508 0.02646 0.02738 0.02958 0.02995 0.03516 0.03668 0.03830 0.03855 0.03902 0.04093 0.04128 0.04178 0.04239 0.04300 0.04473 0.04507 0.04532 0.04567 0.04608 0.04814 0.04873 0.05055 0.05184 0.05611 0.05791 0.05848 0.06218 0.06431 0.06783 0.07310 0.07573 0.08166 0.08533 0.09180 0.09679 0.10937 0.11192 0.11474 0.11609 0.11656 0.11725 0.11854 0.12089 0.12538 0.12565 0.13462 0.13548 0.14110 0.14388 0.14828 0.15156 0.15420 0.16124 0.16771 0.18053 0.18210 0.18460 0.18941 0.19092 0.19403 0.19768 0.20339 0.22255 0.22598 0.23065 0.23294 0.24389 0.24845 0.25556 0.25795 0.26330 0.27000 0.27736 0.28131 0.29091 0.29670 0.29894 0.30855 0.31330 0.31942 0.32532 0.32642 0.32780 0.32788 0.32887 0.33001 0.33066 0.33098 0.33150 0.33510 0.33813 0.33844 0.33893 0.33932 0.34012 0.35098 0.35285 0.35366 0.35623 0.35934 0.36029 0.36097 0.36861 0.37409 0.38368 0.40512 0.40798 0.41662 0.44661 0.46010 0.46096 0.49760 0.50178 0.52742 0.55710 0.75764 Angle between quadratic step and forces= 74.14 degrees. 1 2 0.00093556 0.00000040 0.00000022 0.00000000 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 3.34338 2.72564 1.82039 2.57212 2.75682 2.54198 2.49767 2.50646 2.57215 2.92963 2.92706 2.91697 2.91023 2.92247 2.06959 2.93592 2.91615 2.06867 2.92505 2.06461 2.06256 2.06516 2.06574 2.90694 2.90600 2.07042 2.06298 2.05498 2.85424 2.06348 2.06961 2.06643 2.06853 2.07063 2.06824 2.06854 2.06882 2.64255 2.64664 2.03559 2.63612 2.05008 2.63192 2.05069 2.62728 2.04663 2.62965 2.04645 2.04018 1.90530 2.13679 1.90869 2.23713 1.79520 1.79519 1.96271 1.84969 1.84419 1.77511 1.99421 2.03648 1.79922 2.08459 1.81804 2.04291 1.86619 1.83172 1.80371 2.05456 1.86427 1.93905 1.90230 1.89383 1.82979 1.93090 1.94461 1.92641 1.96180 1.87140 1.86706 1.92408 1.91607 1.96048 1.93025 1.86637 2.03016 1.90845 1.86241 1.91224 1.87721 1.86585 2.02514 1.88012 1.86304 1.90341 1.90390 1.88347 2.02413 1.90274 1.86187 1.92288 1.88328 1.86119 1.95961 1.91716 1.97225 1.87393 1.89263 1.84210 1.93110 1.94373 1.94267 1.88228 1.87780 1.88364 2.12420 2.09789 2.06109 1.92565 2.14397 2.21353 2.11925 2.08724 2.07668 2.12099 2.08711 2.07507 2.07385 2.10561 2.10372 2.07255 2.10701 2.10360 1.99998 2.12659 2.15660 2.08266 2.08204 2.11849 0.93547 2.86033 -1.25114 -3.11787 -0.01000 -1.27956 0.85880 2.87783 1.90252 -2.24231 -0.22328 0.01007 -3.12378 3.11544 -0.01841 0.00699 -3.13985 -0.00537 3.12809 -0.00123 -3.13747 1.19144 -1.10997 3.13794 -0.77982 -3.08123 1.16668 -2.98959 0.99219 -1.04309 -1.36418 0.78012 2.91352 0.69034 2.83464 -1.31514 2.87220 -1.26669 0.86671 -3.03761 1.11953 -0.93365 1.07860 -1.04745 -3.10063 -0.98779 -3.11383 1.11617 0.56033 -1.51639 2.68671 2.88612 0.80940 -1.27069 -1.35035 2.85611 0.77603 1.06956 -3.03681 -1.02466 -1.12012 1.05669 3.06885 3.09768 -1.00869 1.00347 -0.35077 -2.48715 1.74436 -2.56997 1.57684 -0.47484 1.62727 -0.50911 -2.56078 1.37572 -0.80607 -2.80969 -2.83350 1.26790 -0.73571 -0.74250 -2.92429 1.35528 -0.12930 1.98415 -2.21532 1.95044 -2.21929 -0.13559 -2.24440 -0.13094 1.95276 0.86822 2.95205 -1.27927 -1.30666 0.77717 2.82903 2.95446 -1.24490 0.80697 2.98030 0.88698 -1.21589 -1.05892 3.13095 1.02808 0.97035 -1.12297 3.05735 -1.82508 1.31470 0.34636 -2.79705 2.37193 -0.77147 3.12292 -0.01348 -0.01690 3.12988 -3.12838 0.00911 0.01146 -3.13423 0.00813 -3.13442 -3.13862 0.00201 0.00258 3.13685 -3.13494 -0.00067 -3.13600 0.00661 0.00655 -3.13403 3.13076 -0.01185 -0.00353 3.13705 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00003 -0.00001 -0.00001 0.00001 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 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00002 0.00001 0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00004 0.00000 0.00002 0.00002 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 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -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 0.00001 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 -0.00004 -0.00003 -0.00000 -0.00004 0.00003 0.00004 0.00001 0.00001 -0.00000 0.00002 -0.00003 -0.00008 -0.00005 -0.00003 0.00001 0.00003 0.00000 0.00002 0.00004 0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00003 0.00000 0.00002 0.00000 0.00001 0.00000 0.00002 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00002 0.00000 -0.00000 0.00001 0.00000 0.00003 -0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00004 -0.00006 0.00015 0.00004 -0.00013 0.00004 -0.00005 -0.00008 0.00008 0.00000 0.00006 0.00002 -0.00007 -0.00000 0.00007 -0.00006 0.00008 -0.00000 -0.00002 0.00001 -0.00003 0.00005 0.00000 -0.00002 0.00002 0.00000 0.00000 0.00005 -0.00003 -0.00004 0.00001 0.00000 -0.00001 0.00002 -0.00002 -0.00000 -0.00008 0.00005 0.00003 0.00002 -0.00001 -0.00001 -0.00005 -0.00005 0.00001 0.00006 0.00002 0.00001 0.00001 -0.00000 -0.00004 -0.00001 0.00007 -0.00003 0.00002 -0.00001 0.00001 -0.00000 -0.00000 -0.00002 0.00004 -0.00003 -0.00001 -0.00003 0.00005 -0.00002 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00003 -0.00000 -0.00003 0.00002 -0.00001 -0.00001 -0.00002 -0.00000 0.00002 0.00001 0.00003 -0.00004 0.00053 0.00052 0.00061 0.00027 -0.00009 0.00017 0.00019 0.00021 0.00060 0.00062 0.00064 0.00015 -0.00018 -0.00024 -0.00057 0.00001 0.00008 -0.00013 0.00021 0.00008 0.00001 -0.00019 -0.00007 -0.00011 -0.00012 -0.00000 -0.00004 -0.00012 -0.00001 -0.00005 0.00009 -0.00004 0.00000 0.00004 -0.00010 -0.00005 -0.00007 -0.00021 -0.00016 0.00038 0.00035 0.00036 0.00041 0.00038 0.00039 0.00043 0.00040 0.00041 0.00010 0.00005 0.00008 -0.00006 -0.00011 -0.00008 0.00002 -0.00003 -0.00000 -0.00109 -0.00105 -0.00106 -0.00093 -0.00089 -0.00090 -0.00102 -0.00099 -0.00099 0.00004 -0.00003 0.00002 0.00013 0.00005 0.00010 0.00012 0.00004 0.00009 -0.00050 -0.00051 -0.00050 -0.00064 -0.00065 -0.00065 -0.00059 -0.00059 -0.00059 -0.00010 -0.00005 -0.00009 -0.00006 -0.00002 -0.00006 -0.00005 -0.00001 -0.00005 0.00016 0.00016 0.00010 0.00014 0.00014 0.00007 0.00014 0.00014 0.00008 -0.00001 -0.00001 0.00001 0.00002 0.00001 0.00004 -0.00000 -0.00000 0.00002 0.00083 0.00089 0.00078 0.00084 0.00084 0.00089 -0.00014 -0.00016 -0.00020 -0.00021 0.00009 0.00008 0.00014 0.00013 0.00011 0.00006 0.00012 0.00007 -0.00000 -0.00002 0.00001 -0.00001 0.00002 0.00004 0.00007 0.00009 -0.00007 -0.00009 -0.00005 -0.00007 -0.00004 -0.00003 -0.00000 -0.00004 0.00003 0.00004 0.00001 0.00001 -0.00000 0.00002 -0.00003 -0.00008 -0.00005 -0.00003 0.00001 0.00003 0.00000 0.00002 0.00004 0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00003 0.00000 0.00002 0.00000 0.00001 0.00000 0.00002 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00002 0.00000 -0.00000 0.00001 0.00000 0.00003 -0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00004 -0.00006 0.00015 0.00004 -0.00013 0.00004 -0.00005 -0.00008 0.00008 0.00000 0.00006 0.00002 -0.00007 -0.00000 0.00007 -0.00006 0.00008 -0.00000 -0.00002 0.00001 -0.00003 0.00005 0.00000 -0.00002 0.00002 0.00000 0.00000 0.00005 -0.00003 -0.00004 0.00001 0.00000 -0.00001 0.00002 -0.00002 -0.00000 -0.00008 0.00005 0.00003 0.00002 -0.00001 -0.00001 -0.00005 -0.00005 0.00001 0.00006 0.00002 0.00001 0.00001 -0.00000 -0.00004 -0.00001 0.00007 -0.00003 0.00002 -0.00001 0.00001 -0.00000 -0.00000 -0.00002 0.00004 -0.00003 -0.00001 -0.00003 0.00005 -0.00002 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00003 -0.00000 -0.00003 0.00002 -0.00001 -0.00001 -0.00002 -0.00000 0.00002 0.00001 0.00003 -0.00004 0.00053 0.00052 0.00061 0.00027 -0.00009 0.00017 0.00019 0.00021 0.00060 0.00062 0.00064 0.00015 -0.00018 -0.00024 -0.00057 0.00001 0.00008 -0.00013 0.00021 0.00008 0.00001 -0.00019 -0.00007 -0.00011 -0.00012 -0.00000 -0.00004 -0.00012 -0.00001 -0.00005 0.00009 -0.00004 0.00000 0.00004 -0.00010 -0.00005 -0.00007 -0.00021 -0.00016 0.00038 0.00035 0.00036 0.00041 0.00038 0.00039 0.00043 0.00040 0.00041 0.00010 0.00005 0.00008 -0.00006 -0.00011 -0.00008 0.00002 -0.00003 -0.00000 -0.00109 -0.00105 -0.00106 -0.00093 -0.00089 -0.00090 -0.00102 -0.00099 -0.00099 0.00004 -0.00003 0.00002 0.00013 0.00005 0.00010 0.00012 0.00004 0.00009 -0.00050 -0.00051 -0.00050 -0.00064 -0.00065 -0.00065 -0.00059 -0.00059 -0.00059 -0.00010 -0.00005 -0.00009 -0.00006 -0.00002 -0.00006 -0.00005 -0.00001 -0.00005 0.00016 0.00016 0.00010 0.00014 0.00014 0.00007 0.00014 0.00014 0.00008 -0.00001 -0.00001 0.00001 0.00002 0.00001 0.00004 -0.00000 -0.00000 0.00002 0.00083 0.00089 0.00078 0.00084 0.00084 0.00089 -0.00014 -0.00016 -0.00020 -0.00021 0.00009 0.00008 0.00014 0.00013 0.00011 0.00006 0.00012 0.00007 -0.00000 -0.00002 0.00001 -0.00001 0.00002 0.00004 0.00007 0.00009 -0.00007 -0.00009 -0.00005 -0.00007 3.34333 2.72561 1.82039 2.57208 2.75685 2.54201 2.49768 2.50647 2.57215 2.92965 2.92704 2.91688 2.91019 2.92244 2.06960 2.93596 2.91616 2.06868 2.92509 2.06462 2.06256 2.06516 2.06574 2.90693 2.90601 2.07042 2.06299 2.05498 2.85423 2.06348 2.06963 2.06646 2.06854 2.07064 2.06825 2.06855 2.06883 2.64257 2.64663 2.03560 2.63611 2.05008 2.63194 2.05069 2.62730 2.04664 2.62965 2.04646 2.04019 1.90534 2.13679 1.90870 2.23711 1.79522 1.79521 1.96267 1.84963 1.84433 1.77514 1.99408 2.03653 1.79917 2.08451 1.81812 2.04292 1.86625 1.83174 1.80365 2.05456 1.86434 1.93899 1.90238 1.89383 1.82977 1.93091 1.94458 1.92646 1.96180 1.87139 1.86707 1.92408 1.91607 1.96053 1.93022 1.86632 2.03017 1.90845 1.86241 1.91226 1.87719 1.86584 2.02506 1.88017 1.86307 1.90344 1.90389 1.88345 2.02409 1.90269 1.86188 1.92294 1.88330 1.86121 1.95962 1.91716 1.97221 1.87393 1.89270 1.84207 1.93112 1.94371 1.94268 1.88228 1.87780 1.88363 2.12424 2.09786 2.06108 1.92562 2.14402 2.21352 2.11924 2.08724 2.07669 2.12100 2.08710 2.07508 2.07389 2.10561 2.10369 2.07257 2.10701 2.10358 1.99996 2.12659 2.15662 2.08267 2.08207 2.11845 0.93600 2.86085 -1.25052 -3.11760 -0.01010 -1.27939 0.85899 2.87804 1.90312 -2.24169 -0.22264 0.01021 -3.12396 3.11520 -0.01897 0.00700 -3.13977 -0.00550 3.12831 -0.00116 -3.13747 1.19125 -1.11004 3.13783 -0.77994 -3.08123 1.16664 -2.98971 0.99218 -1.04314 -1.36409 0.78008 2.91352 0.69038 2.83455 -1.31519 2.87213 -1.26689 0.86656 -3.03723 1.11988 -0.93329 1.07901 -1.04707 -3.10024 -0.98736 -3.11343 1.11658 0.56043 -1.51634 2.68679 2.88606 0.80929 -1.27077 -1.35033 2.85608 0.77602 1.06847 -3.03786 -1.02572 -1.12105 1.05580 3.06795 3.09666 -1.00967 1.00247 -0.35073 -2.48718 1.74437 -2.56984 1.57689 -0.47474 1.62739 -0.50906 -2.56069 1.37522 -0.80658 -2.81019 -2.83414 1.26725 -0.73636 -0.74309 -2.92488 1.35469 -0.12940 1.98410 -2.21541 1.95037 -2.21931 -0.13564 -2.24446 -0.13095 1.95271 0.86839 2.95221 -1.27917 -1.30652 0.77730 2.82911 2.95461 -1.24476 0.80705 2.98029 0.88697 -1.21588 -1.05890 3.13096 1.02811 0.97035 -1.12297 3.05737 -1.82424 1.31559 0.34714 -2.79621 2.37277 -0.77058 3.12277 -0.01364 -0.01710 3.12967 -3.12829 0.00919 0.01160 -3.13410 0.00824 -3.13436 -3.13850 0.00209 0.00258 3.13683 -3.13493 -0.00068 -3.13598 0.00665 0.00662 -3.13394 3.13069 -0.01194 -0.00358 3.13698 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000043 0.000006 0.004426 0.000936 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -6.523351e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 681 A 658 A 658 1037 681 89 89 2166.7989571364 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 -0.0616990999 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 7.700160 0.000000 6.082461 3.726935 0.000000 7.189089 4.527006 1.361107 0.000000 5.576740 5.825059 2.192835 2.257615 0.000000 7.265138 1.442348 2.547052 3.247083 4.573282 0.000000 8.584997 2.488361 3.149904 3.193337 4.993456 1.550294 0.000000 6.873501 2.389488 3.150707 3.916525 4.672626 1.548935 2.403544 0.000000 9.306328 2.923730 4.443082 4.559509 6.123002 2.419994 1.540030 2.492745 0.000000 8.331976 2.942629 4.409414 4.855994 5.894245 2.433896 2.447155 1.553623 1.547868 0.000000 9.584908 3.190786 3.804384 3.530668 5.677431 2.674287 1.546505 3.883457 2.632411 3.884835 0.000000 6.410250 2.380188 1.458848 2.471936 3.611845 1.543592 2.598566 2.632320 3.849817 3.869151 3.223673 0.000000 6.073794 2.862088 4.000620 5.052258 5.325524 2.646516 3.845400 1.543162 3.795845 2.553673 5.231001 3.376472 0.000000 10.241526 3.108583 4.861444 4.830452 6.912432 3.298189 2.620605 4.606378 3.273128 4.506501 1.538287 3.904563 5.702004 0.000000 10.792184 4.596966 4.844065 4.205916 6.380152 3.970522 2.516373 4.885220 3.102636 4.547206 1.537788 4.579089 6.351668 2.513028 0.000000 4.563642 3.742690 3.803459 5.032905 4.727489 3.399749 4.760196 2.589260 5.056176 3.915995 6.053346 3.459428 1.510398 6.610238 7.250491 0.000000 4.992446 4.700063 1.345157 2.208155 1.326364 3.578358 4.335052 3.736813 5.461292 5.125610 5.128673 2.522619 4.234044 6.188420 6.097661 3.593560 0.000000 4.027969 3.904928 4.087039 5.434039 5.104718 3.876837 5.390954 3.564220 5.892371 4.946791 6.458166 3.552801 2.541050 6.814748 7.811993 1.398377 3.857048 0.000000 4.025863 4.947214 4.103434 5.195520 4.349746 4.305723 5.462987 3.300838 5.754260 4.544694 6.821803 4.240010 2.524083 7.601327 7.863897 1.400540 3.496458 2.400296 0.000000 2.733630 5.162920 4.604499 5.933615 5.136246 5.022440 6.501697 4.766334 7.141379 6.215785 7.495005 4.371372 3.827572 7.918226 8.841148 2.436285 4.021644 1.394974 2.785614 0.000000 2.734177 5.999185 4.624383 5.718969 4.385034 5.365872 6.564364 4.571445 7.027446 5.897234 7.816499 4.955500 3.815278 8.613537 8.890301 2.437424 3.679945 2.787646 1.392753 2.425732 0.000000 6.869619 5.666651 2.097660 1.321711 1.361125 4.341011 4.359443 4.694251 5.587206 5.690643 4.800980 3.505807 5.685638 6.143397 5.301479 5.418549 2.101272 5.864077 5.245584 6.122398 5.532467 0.000000 1.769239 6.068376 4.835993 6.050830 4.779225 5.648130 7.002292 5.158421 7.618623 6.597818 8.099390 4.991391 4.304671 8.734989 9.319538 2.794441 3.922507 2.397684 2.395930 1.390296 1.391552 5.952250 0.000000 8.376471 3.368774 2.758534 2.505046 4.252789 2.105676 1.095178 2.590247 2.133798 2.781572 2.113043 2.760072 4.113490 3.498758 2.656453 4.840092 3.833683 5.593808 5.273365 6.573165 6.302677 3.519250 6.868148 0.000000 6.545461 3.312290 2.735697 3.376419 3.841797 2.139756 2.711285 1.094691 3.002362 2.172362 4.183486 2.770616 2.156898 5.187314 5.017109 2.712535 3.100545 3.817593 2.958721 4.802434 4.146976 3.916356 4.916819 2.428013 0.000000 9.924389 2.855766 5.182241 5.366106 7.027431 2.887589 2.179702 3.171446 1.092546 2.183378 2.811986 4.342594 4.232058 2.904897 3.326468 5.578289 6.267983 6.271141 6.449682 7.584361 7.734515 6.488216 8.213985 3.038724 3.897690 0.000000 10.052733 4.001108 5.026604 4.886878 6.473961 3.363285 2.188741 3.307699 1.091460 2.207922 3.013580 4.672618 4.656862 3.816649 2.921705 5.887865 6.009296 6.826718 6.413655 8.033524 7.682764 5.807734 8.392134 2.388833 3.556927 1.758160 0.000000 8.551235 4.005013 4.872084 5.194810 6.011607 3.318946 3.163002 2.186982 2.208036 1.092837 4.609394 4.615284 3.054231 5.403193 5.016688 4.288652 5.418300 5.496830 4.606455 6.678628 5.958944 5.835429 6.854209 3.168915 2.346119 2.968705 2.382672 0.000000 8.629983 3.012841 5.228663 5.809669 6.797563 3.011377 3.241559 2.181354 2.186602 1.093140 4.537308 4.479379 2.577346 4.836783 5.267861 4.078758 5.915360 5.019131 4.866651 6.363406 6.241352 6.680654 6.864020 3.777892 3.017881 2.316936 2.889624 1.756473 0.000000 9.173167 3.536961 3.264373 2.865130 5.072122 2.886998 2.136897 4.227172 3.523688 4.574184 1.095618 2.867357 5.520544 2.140902 2.131907 6.089097 4.595077 6.355768 6.794796 7.236316 7.632370 4.145194 7.813455 2.371549 4.370217 3.822386 3.923644 5.274615 5.295006 0.000000 7.134945 2.642962 2.071140 2.682522 4.169893 2.162149 2.835681 3.545731 4.228699 4.576525 2.895195 1.091682 4.334676 3.373584 4.306708 4.467991 3.232005 4.368530 5.302195 5.109571 5.939487 3.841466 5.834206 3.130295 3.762313 4.558057 5.021767 5.397858 5.146051 2.315069 0.000000 5.584420 2.554284 2.055450 3.312763 3.887974 2.159382 3.519710 2.907722 4.576139 4.310541 4.209762 1.087451 3.121558 4.672502 5.619806 2.867172 2.614119 2.620963 3.776878 3.385775 4.355082 4.126537 4.169253 3.743752 3.133167 4.986428 5.485490 5.068581 4.743778 3.881651 1.762002 0.000000 6.544292 2.436077 4.552652 5.637455 6.124752 2.801304 4.065331 2.161467 3.947775 2.883956 5.286928 3.608580 1.091945 5.455893 6.510129 2.147364 4.940670 2.654514 3.401020 4.039657 4.568796 6.420231 4.802358 4.586138 3.046799 4.101484 4.924304 3.609708 2.565904 5.639359 4.393017 3.252428 0.000000 6.495392 3.747198 4.859091 5.804851 5.951067 3.513756 4.464341 2.133268 4.083686 2.605304 5.934069 4.383355 1.095192 6.442109 6.895526 2.120804 4.988953 3.308938 2.693183 4.483719 4.043609 6.334598 4.756166 4.655461 2.564048 4.535520 4.795079 2.773952 2.463598 6.332074 5.357617 4.193864 1.754034 0.000000 8.330697 0.963309 4.016364 4.655488 6.196621 1.980061 2.619055 3.228473 3.230939 3.640188 2.812384 2.630443 3.820803 2.380778 4.268870 4.619312 5.125784 4.635598 5.813716 5.807650 6.796106 5.890323 6.772609 3.588566 4.064618 2.984298 4.241980 4.709686 3.736496 3.121768 2.481137 2.933190 3.363428 4.706012 0.000000 10.648968 3.118990 5.508880 5.571747 7.573123 3.530208 2.845070 4.594099 2.946100 4.182918 2.199420 4.475342 5.608756 1.093508 2.906500 6.707826 6.793923 7.005004 7.745595 8.217946 8.865463 6.865989 9.055506 3.835500 5.309084 2.254011 3.484046 5.083739 4.321792 3.066868 4.136773 5.162003 5.267172 6.220825 2.518105 0.000000 11.135870 4.171284 5.616207 5.404379 7.578460 4.332859 3.538643 5.662065 4.186505 5.521642 2.169746 4.772254 6.789165 1.094621 2.629122 7.659734 6.958720 7.816001 8.627172 8.865817 9.598287 6.690709 9.686551 4.274966 6.176432 3.794012 4.550572 6.363582 5.866460 2.545951 4.090203 5.563917 6.542729 7.530239 3.378857 1.763119 0.000000 9.683454 2.699868 4.679363 4.881870 6.817856 3.181252 3.028032 4.613699 3.832757 4.797688 2.210030 3.531010 5.493938 1.095728 3.472106 6.256574 5.959248 6.248411 7.347984 7.298895 8.271430 6.198683 8.229282 3.936564 5.266477 3.468583 4.572007 5.789827 5.036408 2.434515 2.872398 4.115781 5.131260 6.348225 1.791027 1.776058 1.744034 0.000000 11.493567 5.331754 5.469045 4.724466 6.957379 4.814088 3.473078 5.872098 4.150307 5.608622 2.179311 5.218455 7.308827 2.764617 1.094467 8.142357 6.739554 8.593412 8.781675 9.568367 9.742689 5.794970 10.087827 3.615333 6.003378 4.244065 3.983562 6.109121 6.288983 2.441777 4.745893 6.252072 7.413159 7.912927 4.848278 3.309724 2.432078 3.681798 0.000000 10.579095 5.075030 4.612861 3.771653 5.833049 4.165898 2.699289 4.871898 3.317580 4.593304 2.188516 4.673231 6.402579 3.479365 1.094626 7.208618 5.748579 7.883527 7.633442 8.837746 8.616170 4.685405 9.156128 2.379517 4.766716 3.839272 2.939163 4.859576 5.466997 2.509689 4.553177 5.748964 6.738617 6.881832 4.904933 3.886648 3.671662 4.342346 1.769289 0.000000 11.395241 4.803465 5.619848 5.098605 7.190205 4.341062 2.850850 5.062451 2.861587 4.389656 2.187872 5.235569 6.489208 2.760438 1.094774 7.563769 6.850327 8.212012 8.212710 9.340852 9.343529 6.176197 9.840575 3.145501 5.306411 2.885021 2.481287 4.806393 4.981832 3.057984 5.062018 6.222257 6.585616 6.905724 4.522439 2.730180 2.898120 3.827409 1.766520 1.770418 0.000000 3.981201 4.772025 2.131044 3.234042 2.152280 3.862194 4.908015 3.835347 5.904451 5.339069 5.810566 2.841408 3.919623 6.715620 6.905724 2.947961 1.077186 3.029698 2.812561 2.997740 2.782692 3.157167 2.859402 4.558420 3.322388 6.645190 6.560012 5.657450 5.982944 5.346330 3.642539 2.502645 4.594036 4.672748 5.297885 7.246532 7.555310 6.364702 7.585483 6.639209 7.592885 0.000000 4.875895 3.384027 4.376762 5.709007 5.743182 3.736474 5.284553 3.714732 5.774920 4.977223 6.204794 3.499408 2.749253 6.322346 7.641419 2.151875 4.432951 1.084854 3.387343 2.142319 3.872454 6.336742 3.377719 5.686660 4.223915 5.974033 6.791976 5.698971 4.913311 6.145967 4.129739 2.530730 2.431467 3.620160 4.019792 6.474335 7.304601 5.649635 8.368295 7.862800 8.005773 3.737608 0.000000 4.873679 5.283795 4.400312 5.293187 4.493748 4.495127 5.411706 3.248071 5.517535 4.234666 6.861600 4.667659 2.720212 7.758236 7.732259 2.154008 3.858068 3.387262 1.085179 3.870756 2.139603 5.275465 3.376200 5.106362 2.723970 6.302118 6.026605 4.047594 4.629623 6.931079 5.758052 4.427111 3.739990 2.549593 6.175050 7.835655 8.782890 7.654680 8.706809 7.404724 8.003581 3.418124 4.289706 0.000000 2.872563 5.632339 5.206358 6.527910 5.786202 5.660426 7.164243 5.614636 7.885272 7.059904 8.009540 4.874588 4.698194 8.297394 9.420618 3.417182 4.680698 2.158464 3.868643 1.083032 3.406013 6.750188 2.153108 7.308365 5.729992 8.242699 8.823925 7.609723 7.158480 7.681227 5.435629 3.818782 4.730078 5.413058 6.158414 8.643146 9.190644 7.564940 10.070073 9.489415 9.959342 3.687914 2.472735 4.953775 0.000000 2.872800 6.946808 5.235559 6.176975 4.558617 6.192900 7.263787 5.319293 7.701219 6.557656 8.535489 5.779275 4.680706 9.444428 9.500920 3.418765 4.150452 3.870578 2.157224 3.405685 1.082935 5.775160 2.154085 6.871895 4.736092 8.485996 8.251244 6.464540 6.965725 8.331324 6.765753 5.278902 5.518171 4.760012 7.745519 9.710427 10.412036 9.167566 10.360576 9.119710 9.962732 3.373878 4.955375 2.470417 4.298478 0.000000 7.719773 6.581336 3.138562 2.101968 2.154788 5.232772 5.006597 5.574000 6.184607 6.411431 5.293391 4.494806 6.650361 6.703414 5.515857 6.437179 3.143994 6.931731 6.176195 7.159618 6.428946 1.079619 6.908083 4.074073 4.752372 7.108385 6.238634 6.456378 7.449279 4.627472 4.722796 5.178790 7.409462 7.232859 6.749106 7.448695 7.132276 6.871392 5.905865 4.759726 6.408150 4.171243 7.414621 6.101347 7.782410 6.552712 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4437764 0.1443903 0.1257701 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= 1.03D-06 NBF= 658 NBsUse= 657 1.00D-06 EigRej= 7.79D-07 NBFU= 657 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= 677 677 677 677 677 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1400.40254794142 -1400.40254794 1 1.395092279556e+03 -7.611943525603e+03 2.649717162720e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245781245 LenY= 4245316803 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. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 9.8629, EpsInf= 2.0435) 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. 14546 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 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= 820000000 NMat= 141 IRICut= 352 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 5.06D-14 1.00D-09 XBig12= 2.43D+02 6.15D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 5.06D-14 1.00D-09 XBig12= 4.63D+01 1.16D+00. 141 vectors produced by pass 2 Test12= 5.06D-14 1.00D-09 XBig12= 3.45D-01 4.34D-02. 141 vectors produced by pass 3 Test12= 5.06D-14 1.00D-09 XBig12= 1.61D-03 2.64D-03. 141 vectors produced by pass 4 Test12= 5.06D-14 1.00D-09 XBig12= 3.91D-06 1.70D-04. 118 vectors produced by pass 5 Test12= 5.06D-14 1.00D-09 XBig12= 7.20D-09 7.76D-06. 33 vectors produced by pass 6 Test12= 5.06D-14 1.00D-09 XBig12= 9.81D-12 2.55D-07. 3 vectors produced by pass 7 Test12= 5.06D-14 1.00D-09 XBig12= 9.94D-15 7.83D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 859 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 325.91 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 376.894 31.658 298.868 -5.413 16.212 301.969 393.120 38.862 327.241 -4.256 25.545 348.893 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT156587.800S Mon Sep 6 04:41:04 2021 -1.57785480e+00 -1.22797200e+00 -4.71564957e-01 3.76893854e+02 3.16584912e+01 2.98868362e+02 -5.41280009e+00 1.62119967e+01 3.01968880e+02 -5.0212 -0.0013 -0.0010 -0.0006 7.6847 8.5273 29.7899 40.7387 41.5559 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 27.5980 40.6155 41.2655 61.9796 69.8020 83.2586 95.2044 102.9120 121.4455 142.7307 161.5318 188.7984 224.5362 231.5348 259.4859 263.2627 283.0850 298.7464 302.0629 310.2861 313.2182 343.3980 367.3493 379.0548 392.2765 402.8434 420.8134 433.1164 457.1172 520.0495 573.8009 586.4747 627.3235 644.5548 646.9154 663.7095 669.9123 693.0019 716.2396 743.5786 778.9481 780.8796 825.2136 834.8848 841.7208 856.3117 863.5313 896.0550 904.0305 913.2850 934.6669 949.0962 958.2228 967.5745 972.2361 982.7578 990.0899 998.4496 1014.1273 1027.3983 1028.0094 1037.8130 1048.3317 1078.6011 1093.1064 1096.3201 1114.9905 1131.6934 1149.4729 1150.3623 1166.1558 1191.9503 1204.7562 1206.9335 1221.4326 1226.0636 1234.6025 1236.8164 1260.3022 1283.3335 1287.0356 1297.1406 1307.0000 1319.2193 1333.2088 1337.6054 1345.1631 1351.9847 1355.3947 1362.6532 1371.7994 1383.4995 1397.3109 1400.0427 1403.0010 1407.5213 1422.8262 1434.2428 1478.1285 1480.7508 1481.0100 1484.7621 1487.1537 1489.1593 1493.9388 1499.6507 1516.3272 1521.3930 1532.2635 1609.7511 1627.6368 3011.3625 3015.4670 3020.1357 3028.5704 3030.8307 3036.2355 3040.6134 3051.6058 3060.9479 3069.6837 3075.6532 3076.4543 3078.3317 3088.5248 3089.0489 3094.1144 3154.9066 3166.6898 3170.8584 3196.9483 3198.3178 3245.1793 3292.9573 3822.5674 5.3540 5.8990 7.0538 2.8781 4.1306 5.1064 3.7022 2.4764 3.4660 5.6929 4.9601 4.5427 3.7238 2.2266 1.1387 2.3485 4.0072 1.5839 3.8215 3.6754 2.2002 2.1288 4.5999 2.8911 2.3904 2.1213 3.1122 4.9899 2.5489 2.8547 2.5770 3.0207 3.4999 6.4565 3.4229 4.9011 3.6795 3.3980 2.9486 3.4596 2.9325 4.1116 3.2933 1.4971 1.2694 2.1218 2.2236 1.3973 1.3837 1.9567 1.2388 6.6760 2.1673 1.5969 1.5503 1.8937 1.3619 1.9755 2.6812 4.1672 3.8895 2.2405 2.9799 2.1679 2.8659 2.2764 2.1504 1.4367 2.3176 2.1163 1.4460 1.8008 1.1313 1.7660 2.7292 2.4887 1.7265 1.8564 1.2458 1.7685 1.6513 1.3853 1.4697 2.2860 1.6938 1.4097 1.4788 1.3705 1.4602 1.7699 1.6698 1.5212 1.3159 1.4610 1.5726 1.3264 1.3025 2.4108 1.0855 1.7444 1.3486 1.1175 1.1780 1.0892 1.0594 1.0989 2.2988 1.0488 3.4409 6.4763 5.7313 1.0379 1.0409 1.0786 1.0671 1.0820 1.0620 1.0829 1.0622 1.0975 1.1043 1.0719 1.0978 1.1018 1.0978 1.0998 1.1040 1.0970 1.0899 1.0899 1.0942 1.0949 1.0966 1.0971 1.0658 0.0024 0.0057 0.0071 0.0065 0.0119 0.0209 0.0198 0.0155 0.0301 0.0683 0.0763 0.0954 0.1106 0.0703 0.0452 0.0959 0.1892 0.0833 0.2054 0.2085 0.1272 0.1479 0.3657 0.2447 0.2167 0.2028 0.3247 0.5515 0.3138 0.4549 0.4999 0.6121 0.8115 1.5804 0.8440 1.2720 0.9729 0.9615 0.8912 1.1270 1.0483 1.4772 1.3213 0.6148 0.5299 0.9167 0.9770 0.6610 0.6663 0.9616 0.6376 3.5431 1.1725 0.8808 0.8634 1.0776 0.7866 1.1603 1.6247 2.5916 2.4218 1.4218 1.9295 1.4860 2.0176 1.6120 1.5751 1.0841 1.8042 1.6501 1.1586 1.5074 0.9675 1.5157 2.3989 2.2042 1.5505 1.6731 1.1658 1.7161 1.6116 1.3733 1.4792 2.3440 1.7738 1.4861 1.5766 1.4760 1.5805 1.9363 1.8514 1.7155 1.5138 1.6872 1.8239 1.5482 1.5536 2.9218 1.3973 2.2535 1.7428 1.4515 1.5350 1.4232 1.3931 1.4561 3.1141 1.4303 4.7598 9.8878 8.9457 5.5456 5.5765 5.7967 5.7667 5.8562 5.7681 5.8987 5.8277 6.0587 6.1306 5.9739 6.1220 6.1515 6.1698 6.1834 6.2275 6.4331 6.4395 6.4563 6.5892 6.5987 6.8040 7.0093 9.1757 0.0529 1.6555 0.1461 0.2741 0.7019 0.4652 0.2293 0.1857 1.9975 0.3917 0.2636 5.6245 1.6899 9.8317 1.6064 3.2605 6.7152 67.6399 1.5976 4.1928 125.3296 0.7165 14.8578 1.7251 3.0313 5.5231 2.1825 7.1462 3.2364 18.5903 19.4789 9.4090 4.2733 0.4500 3.4232 30.3580 17.5141 33.1977 2.0326 10.3859 2.7796 39.2543 22.2162 17.9569 0.2806 51.4082 4.6700 33.8339 1.6902 27.7437 6.2035 11.3877 8.5158 3.1205 5.0652 7.1702 0.2687 11.6468 3.7526 66.2814 9.9627 70.9640 3.6804 1.3358 46.9738 25.7511 15.0318 32.8728 35.8869 41.9785 21.7233 6.9898 0.5336 10.4492 16.7359 7.9321 0.5741 37.9091 1.5397 8.3429 15.7279 40.7116 37.0683 5.2804 10.2711 1.7291 3.1236 2.9804 2.7971 1.0210 16.2058 17.8209 6.2988 3.4896 31.1259 8.3299 14.9506 6.5927 1.9542 6.2601 11.3762 11.9268 11.9400 16.8885 7.7712 3.5000 103.6810 18.9118 110.9779 1.7289 2.0643 73.2161 17.1135 25.3515 15.7142 1.6315 88.5669 24.6071 61.7282 92.2291 7.4324 26.4451 58.8691 75.6742 31.3943 75.7559 88.6981 1.9464 10.3989 8.1141 3.4530 0.6313 2.1335 16.9910 184.5948 0.08 0.01 0.17 -0.11 0.00 -0.03 -0.03 -0.02 -0.09 -0.02 0.01 -0.12 -0.01 -0.01 -0.12 -0.04 -0.01 -0.03 0.00 0.01 0.05 0.01 -0.04 -0.08 0.03 0.01 0.07 0.05 -0.06 -0.06 -0.05 0.02 0.11 -0.06 -0.02 -0.07 0.01 -0.02 -0.15 -0.13 0.03 0.14 0.02 0.04 0.18 0.02 0.00 -0.08 -0.03 -0.03 -0.09 0.08 0.05 -0.06 -0.03 -0.03 -0.03 0.10 0.05 0.02 -0.01 -0.02 0.05 -0.00 0.01 -0.14 0.05 0.01 0.07 0.05 0.00 0.03 0.03 -0.05 -0.07 -0.06 0.05 0.12 0.12 0.03 0.14 0.12 -0.15 -0.06 0.00 -0.04 -0.15 -0.06 0.01 0.08 -0.08 -0.03 -0.05 -0.07 -0.04 -0.09 0.02 0.05 -0.22 0.01 -0.10 -0.20 -0.15 0.02 0.01 -0.13 0.04 0.17 -0.15 0.04 0.19 -0.18 0.01 0.10 -0.02 0.05 0.22 0.08 0.04 0.15 0.03 0.05 0.23 -0.04 -0.05 -0.07 0.11 0.07 -0.10 -0.07 -0.06 -0.05 0.14 0.08 0.04 -0.05 -0.05 0.09 0.01 0.03 -0.17 0.15 -0.15 0.02 -0.02 0.03 -0.01 -0.03 0.02 0.00 -0.00 -0.04 0.20 0.07 -0.03 -0.05 -0.06 0.04 -0.02 -0.08 -0.01 -0.02 -0.03 0.08 -0.01 -0.03 -0.02 -0.01 -0.00 0.04 -0.00 -0.11 -0.06 -0.02 -0.09 0.06 -0.02 0.00 0.12 -0.01 -0.05 -0.08 -0.03 -0.15 -0.14 -0.02 -0.01 0.14 -0.02 0.02 0.03 -0.14 0.03 0.06 -0.00 -0.03 0.18 -0.03 0.07 -0.02 0.01 0.01 0.12 -0.02 0.06 -0.07 0.16 0.07 0.00 -0.00 -0.11 0.01 -0.02 -0.06 0.10 -0.02 0.00 -0.05 -0.00 -0.04 -0.04 -0.01 -0.00 0.06 -0.00 0.04 0.04 0.01 -0.16 -0.03 -0.01 -0.12 0.09 0.02 -0.11 0.05 -0.08 0.02 0.11 -0.00 0.02 0.13 -0.01 -0.04 -0.00 -0.01 0.01 -0.11 -0.04 -0.09 -0.13 -0.02 -0.04 -0.02 -0.03 -0.17 -0.17 -0.01 -0.19 -0.14 0.00 -0.11 -0.18 -0.04 0.01 0.07 -0.30 0.04 0.03 0.01 -0.06 0.26 -0.04 0.11 -0.10 0.02 0.00 0.14 -0.03 0.09 -0.12 0.29 -0.13 0.16 0.03 -0.04 -0.03 -0.00 0.09 -0.08 0.00 0.12 -0.12 0.17 0.21 -0.05 -0.18 -0.01 -0.03 0.00 -0.00 -0.01 0.01 -0.03 -0.06 0.00 -0.03 -0.02 -0.02 -0.05 -0.06 -0.03 0.02 0.04 0.02 0.01 -0.05 0.00 -0.03 -0.05 -0.00 0.01 0.08 -0.01 0.03 0.05 0.02 -0.04 -0.02 0.01 0.14 -0.03 -0.21 0.02 -0.10 0.03 -0.11 0.09 -0.00 0.01 -0.06 0.04 -0.13 0.13 0.00 0.19 -0.10 0.06 -0.08 0.06 0.02 0.02 -0.04 0.03 -0.04 -0.07 0.02 -0.05 0.01 -0.04 -0.02 -0.02 -0.01 -0.05 -0.11 -0.03 -0.06 -0.06 -0.07 0.05 0.04 0.04 0.01 -0.02 0.02 -0.01 -0.09 -0.02 -0.02 -0.04 -0.01 -0.02 -0.06 -0.01 -0.04 -0.01 0.01 -0.04 0.09 -0.03 0.04 0.13 -0.02 0.02 0.06 0.01 0.05 0.09 0.03 0.05 0.03 0.04 0.01 0.06 0.00 0.13 0.01 -0.37 0.08 -0.19 0.04 -0.16 0.15 -0.02 0.05 -0.12 0.06 -0.20 0.23 -0.01 0.24 -0.13 0.15 -0.00 0.03 -0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.01 -0.03 0.03 0.00 -0.08 0.08 0.00 -0.00 -0.04 -0.01 0.00 -0.05 0.00 0.03 -0.02 0.00 0.04 0.00 0.01 0.05 0.01 -0.02 -0.05 -0.08 0.00 0.00 -0.03 0.00 0.02 -0.00 -0.17 -0.17 0.10 0.09 0.18 -0.07 0.01 0.01 0.00 0.01 -0.04 0.02 0.00 0.02 -0.00 0.01 -0.00 0.00 0.00 0.02 -0.00 0.01 -0.00 0.00 0.01 -0.07 0.08 0.01 0.01 0.00 -0.01 0.03 -0.09 0.01 0.04 -0.05 -0.01 0.02 0.05 0.02 0.08 0.00 0.02 0.08 0.00 0.00 0.05 0.03 0.02 -0.15 -0.24 0.01 0.01 -0.03 0.00 -0.00 -0.03 0.00 0.01 0.01 -0.01 0.03 0.01 0.01 -0.02 -0.03 -0.19 -0.10 0.26 -0.19 -0.18 0.12 -0.27 -0.32 0.05 0.08 0.12 -0.12 0.20 0.30 -0.22 0.07 0.30 0.12 0.01 -0.03 0.00 0.00 0.02 -0.00 0.02 -0.01 0.00 -0.00 0.03 -0.00 0.02 -0.01 0.00 0.01 -0.09 0.13 0.05 -0.07 -0.03 0.03 -0.01 -0.02 -0.04 -0.00 0.04 -0.10 -0.05 0.03 -0.12 0.10 -0.01 0.02 -0.03 0.01 0.02 -0.04 0.01 -0.00 -0.06 0.01 -0.01 -0.08 -0.07 -0.02 -0.11 -0.06 0.07 0.04 0.02 0.04 -0.03 0.04 0.03 -0.02 0.02 -0.03 0.09 0.03 0.13 0.16 0.03 0.01 0.02 0.01 -0.05 0.09 0.01 0.05 -0.09 0.03 -0.05 0.15 -0.03 0.06 -0.11 0.02 -0.05 0.14 -0.04 -0.14 0.01 0.01 0.01 0.00 -0.02 0.03 -0.09 0.06 -0.05 -0.07 0.05 0.01 -0.06 -0.12 -0.03 -0.12 -0.07 -0.05 -0.17 -0.05 -0.01 -0.10 -0.12 0.14 -0.00 0.01 0.07 -0.06 -0.00 0.07 -0.01 0.09 0.05 -0.03 0.02 0.05 -0.01 0.02 0.02 -0.01 -0.00 -0.15 0.13 0.05 0.04 0.18 0.01 -0.03 -0.02 0.05 0.16 0.19 0.03 0.20 0.16 -0.00 0.08 0.22 0.08 -0.02 0.14 0.01 0.09 -0.18 0.05 -0.09 0.25 -0.04 0.10 -0.21 0.03 -0.09 0.23 -0.06 -0.20 -0.01 0.00 -0.03 -0.04 0.02 0.08 0.08 -0.05 0.04 0.06 0.14 0.04 0.09 0.09 0.08 0.23 -0.14 0.02 0.02 0.03 -0.01 -0.03 -0.00 -0.01 -0.06 0.01 -0.01 -0.03 0.00 -0.02 -0.10 -0.06 -0.03 -0.10 -0.03 0.05 0.07 0.12 -0.02 -0.05 -0.03 -0.08 -0.20 0.07 -0.00 -0.03 -0.04 -0.03 -0.04 -0.02 0.06 0.15 -0.00 -0.03 -0.01 -0.03 -0.03 -0.06 -0.01 -0.04 -0.00 -0.01 -0.04 -0.05 0.00 0.06 0.19 -0.07 -0.04 -0.03 0.00 -0.05 -0.01 -0.01 -0.02 -0.09 0.07 -0.07 -0.00 0.02 0.04 -0.01 0.03 -0.02 -0.22 -0.05 -0.04 -0.08 -0.17 -0.05 -0.14 -0.12 0.09 0.09 0.10 0.07 0.08 0.14 -0.03 -0.03 -0.05 -0.01 -0.08 -0.05 0.14 0.14 -0.09 0.02 -0.20 0.14 -0.15 -0.28 0.13 -0.15 -0.20 0.00 -0.03 -0.09 -0.07 0.02 0.05 -0.11 0.02 0.00 0.06 0.06 0.15 0.01 -0.04 0.01 -0.04 -0.03 -0.08 -0.01 -0.04 0.02 -0.01 -0.03 -0.07 0.01 0.07 0.23 -0.15 0.03 -0.03 -0.00 0.02 -0.05 0.02 -0.02 -0.03 0.00 -0.02 -0.06 0.07 0.02 0.04 -0.14 -0.01 -0.04 0.01 -0.02 -0.06 -0.00 -0.02 -0.01 0.03 -0.03 -0.12 -0.09 -0.02 -0.03 0.01 0.03 0.02 0.00 -0.04 -0.03 0.01 0.01 0.02 0.07 -0.02 0.07 -0.02 0.06 0.10 -0.00 -0.00 0.05 0.05 0.00 0.02 -0.12 -0.09 0.18 0.01 0.08 -0.08 0.06 -0.10 0.18 -0.01 0.09 -0.09 0.04 0.00 -0.02 -0.02 0.00 0.03 0.01 -0.04 -0.11 0.06 -0.05 0.00 0.03 0.09 -0.15 -0.18 -0.14 -0.21 -0.14 -0.09 0.05 0.01 0.04 -0.04 0.09 0.09 -0.01 0.02 -0.07 -0.03 0.03 -0.05 -0.01 -0.03 0.04 -0.01 0.09 0.03 0.05 0.09 -0.03 -0.09 0.05 -0.17 0.12 -0.02 0.07 0.18 -0.07 0.00 -0.03 0.03 0.10 0.13 -0.01 0.10 0.08 -0.01 0.01 0.14 0.01 0.01 0.05 -0.17 -0.15 0.28 -0.00 0.16 -0.18 0.09 -0.17 0.28 -0.03 0.16 -0.20 0.06 0.01 -0.03 0.01 -0.02 0.01 0.05 0.03 0.01 -0.01 -0.01 0.02 -0.00 -0.03 -0.02 0.05 -0.03 0.05 -0.03 0.02 0.01 -0.01 0.01 -0.02 -0.00 0.05 0.04 -0.01 0.04 -0.06 -0.06 0.07 0.16 0.16 0.01 -0.01 0.01 0.00 0.02 -0.01 -0.02 -0.03 -0.06 -0.01 0.01 0.00 0.02 -0.00 0.02 -0.01 -0.06 -0.06 -0.01 0.06 -0.05 0.02 -0.06 -0.05 -0.04 -0.05 -0.04 0.02 -0.05 -0.02 -0.04 -0.04 -0.01 -0.04 0.00 0.03 -0.01 -0.03 -0.00 -0.01 -0.04 0.03 0.15 0.05 -0.09 0.27 -0.17 -0.15 -0.15 -0.17 -0.17 0.02 0.52 0.13 0.13 0.10 0.50 0.01 -0.01 0.01 -0.00 0.01 -0.01 0.01 0.03 -0.00 -0.07 -0.01 -0.06 -0.02 -0.06 -0.07 0.01 0.00 0.00 -0.04 0.02 0.00 0.01 0.03 -0.01 -0.00 -0.01 0.01 0.03 0.02 0.02 0.02 -0.02 0.02 0.00 0.00 0.00 0.00 0.09 -0.08 0.04 -0.07 -0.06 -0.06 -0.06 -0.05 0.05 -0.04 -0.01 -0.07 -0.02 -0.00 -0.06 -0.02 0.06 0.00 -0.02 0.04 -0.03 -0.03 0.06 -0.01 -0.01 -0.01 -0.07 -0.11 0.10 -0.07 0.05 -0.04 0.02 -0.01 0.02 0.05 0.06 0.03 0.02 -0.02 0.01 0.03 0.16 0.16 0.01 0.00 0.01 0.08 0.01 -0.03 0.02 -0.03 -0.00 -0.01 -0.04 -0.05 0.15 -0.04 -0.02 0.04 0.03 -0.10 -0.02 -0.02 -0.06 -0.01 0.08 -0.09 -0.03 0.04 -0.06 -0.02 -0.04 -0.04 -0.03 0.06 -0.04 -0.03 -0.03 -0.02 -0.10 -0.07 0.07 -0.02 0.01 -0.02 0.09 0.11 -0.05 0.05 -0.04 0.01 -0.17 0.21 0.30 0.20 0.31 0.24 0.10 -0.14 0.01 -0.09 0.03 -0.12 0.09 0.00 -0.03 0.02 -0.06 -0.02 0.03 -0.02 0.02 -0.03 -0.00 -0.07 0.02 -0.07 -0.08 -0.00 -0.02 0.03 0.25 -0.07 -0.02 0.10 -0.12 -0.01 0.16 0.05 -0.03 0.05 -0.01 -0.16 -0.01 0.08 -0.12 0.03 0.04 -0.09 0.02 0.16 -0.16 -0.03 0.07 -0.08 -0.02 -0.08 -0.04 -0.03 0.10 -0.04 -0.02 -0.06 -0.00 -0.15 -0.12 0.14 0.03 -0.08 0.06 0.01 -0.05 0.06 0.03 -0.04 0.05 0.08 0.06 -0.09 0.06 -0.08 0.07 0.01 -0.04 0.06 0.01 -0.05 0.05 0.00 -0.05 0.05 0.00 -0.08 0.01 0.01 -0.00 0.10 0.06 -0.03 0.00 0.00 -0.04 0.06 -0.01 -0.03 -0.06 0.08 -0.04 -0.00 0.05 0.04 -0.07 -0.08 0.06 -0.11 0.02 -0.12 0.13 -0.08 0.12 -0.11 -0.14 0.14 -0.10 -0.09 0.16 -0.08 -0.15 0.16 -0.07 0.09 0.03 -0.08 -0.10 0.13 -0.05 -0.00 -0.06 0.07 0.05 -0.06 0.03 0.10 -0.10 -0.05 -0.08 -0.12 -0.04 -0.02 0.13 0.09 0.03 -0.03 0.23 0.11 -0.06 0.00 -0.01 -0.03 0.07 -0.01 -0.04 0.03 -0.04 -0.00 -0.08 0.07 -0.07 -0.10 0.03 -0.05 0.05 0.07 -0.03 -0.00 0.10 -0.03 -0.03 0.10 -0.05 0.02 0.09 0.04 -0.12 0.05 0.07 -0.08 0.01 0.08 -0.05 -0.00 -0.17 0.21 -0.05 0.11 -0.12 -0.18 0.14 -0.12 -0.07 0.17 -0.07 -0.18 0.17 -0.06 0.13 0.10 -0.17 -0.05 -0.10 0.01 0.12 0.02 -0.11 0.08 0.03 -0.11 0.02 -0.06 -0.06 -0.03 0.00 0.05 0.09 0.01 -0.09 0.09 0.02 -0.08 0.04 0.01 -0.04 0.07 0.06 -0.04 0.04 0.04 -0.04 0.00 0.00 0.03 0.11 0.01 -0.09 0.00 -0.03 0.07 -0.05 -0.00 0.06 0.06 -0.13 0.19 -0.04 -0.01 0.07 0.06 0.06 -0.05 -0.11 0.05 0.05 -0.06 0.04 0.06 -0.14 0.10 0.02 -0.09 0.07 0.03 -0.05 -0.07 0.04 -0.12 0.06 0.02 0.13 0.03 -0.10 0.04 0.02 -0.06 0.02 0.07 -0.00 0.10 0.12 -0.04 0.05 0.03 -0.04 0.02 0.04 -0.05 -0.10 0.05 0.01 0.10 -0.02 -0.10 0.11 0.01 -0.08 0.02 -0.08 0.11 -0.03 0.04 0.12 0.11 0.03 -0.10 -0.00 -0.01 0.08 -0.10 -0.02 0.12 -0.10 0.01 0.02 -0.03 -0.09 0.32 0.10 -0.21 0.23 0.13 -0.21 0.15 0.10 0.13 -0.07 -0.13 0.05 0.06 -0.05 0.02 0.06 -0.16 0.13 0.01 -0.07 0.08 0.02 -0.11 -0.13 0.11 -0.05 -0.02 0.01 0.09 0.01 0.01 -0.14 0.15 -0.13 -0.05 0.19 0.00 0.03 -0.10 0.01 0.03 0.02 0.01 0.03 -0.04 0.05 0.05 0.00 -0.00 0.04 -0.07 0.01 0.06 -0.07 -0.05 0.08 -0.02 0.03 -0.18 0.13 -0.07 0.02 -0.02 0.03 0.13 -0.05 0.03 0.08 0.05 -0.02 0.00 -0.03 0.03 -0.11 -0.02 -0.12 -0.02 -0.04 0.02 -0.02 -0.02 0.03 -0.02 -0.04 0.02 -0.03 0.00 0.02 0.07 0.04 0.08 -0.04 -0.02 0.02 0.03 -0.06 0.07 0.04 -0.02 0.04 0.03 -0.05 0.00 0.06 -0.10 0.04 0.07 -0.17 -0.04 0.09 -0.05 -0.15 0.11 -0.04 0.02 -0.36 0.07 0.03 -0.21 0.22 -0.23 0.01 -0.03 0.04 0.00 -0.01 0.04 -0.01 -0.08 0.07 0.17 -0.07 0.03 0.11 -0.10 0.01 0.15 -0.01 0.04 0.08 -0.01 -0.08 0.09 0.12 -0.09 0.08 0.09 0.06 -0.18 -0.09 -0.20 -0.03 -0.04 0.03 -0.02 -0.01 0.02 -0.02 -0.04 0.02 -0.04 0.03 0.01 0.17 0.03 0.19 0.01 -0.01 -0.02 0.04 -0.06 -0.14 -0.11 -0.06 0.16 -0.04 0.04 0.11 0.03 -0.01 -0.07 -0.01 -0.09 -0.09 0.02 -0.05 -0.08 0.02 -0.04 -0.07 0.03 0.10 0.12 0.04 0.07 0.06 0.01 -0.02 -0.05 -0.08 0.02 0.01 0.02 -0.05 0.00 -0.06 0.08 -0.09 0.06 -0.03 0.02 0.02 -0.03 0.03 -0.08 -0.08 0.06 0.01 -0.01 0.03 0.01 0.01 0.03 -0.01 0.03 0.02 -0.01 0.05 0.02 0.05 0.07 -0.04 -0.01 0.04 0.02 0.10 0.01 -0.17 0.04 0.01 -0.15 -0.12 0.07 0.30 0.16 0.28 0.16 0.14 0.13 0.04 -0.03 0.05 0.12 0.02 -0.01 -0.02 -0.11 0.10 0.07 -0.06 0.11 -0.05 0.07 -0.08 0.02 -0.01 -0.01 0.03 -0.05 -0.10 -0.06 -0.23 0.12 -0.11 0.04 0.22 -0.13 -0.04 -0.03 -0.05 0.11 0.11 0.11 0.12 -0.16 0.10 0.00 -0.04 -0.08 -0.12 -0.14 0.06 0.02 -0.01 0.03 0.01 0.01 0.03 -0.01 0.03 0.02 -0.02 0.07 0.01 0.13 0.14 -0.11 0.00 -0.02 -0.06 -0.13 0.07 -0.08 -0.01 -0.03 0.03 -0.01 -0.02 0.01 -0.00 -0.00 -0.02 -0.03 -0.00 -0.03 0.01 0.01 0.03 -0.00 -0.04 -0.06 0.01 -0.03 -0.03 0.01 0.02 0.02 0.02 0.01 0.02 -0.01 -0.01 -0.00 0.00 -0.03 -0.04 0.09 -0.05 0.04 0.01 0.04 -0.01 0.01 -0.00 0.05 -0.01 -0.02 0.01 0.02 0.02 0.06 0.00 0.01 0.06 -0.00 0.03 0.06 0.00 0.03 0.06 -0.00 -0.01 -0.02 -0.00 0.04 0.06 0.01 -0.02 0.06 0.02 -0.03 -0.09 0.09 -0.05 -0.08 -0.06 -0.10 -0.05 0.03 0.15 0.01 0.02 -0.01 0.15 0.03 0.00 0.02 0.01 0.02 0.00 -0.01 -0.01 -0.00 0.05 0.01 -0.10 -0.05 -0.08 -0.07 0.07 0.27 -0.20 0.52 -0.21 -0.02 -0.19 -0.32 0.27 -0.02 0.31 -0.13 0.05 0.05 -0.04 0.01 0.05 -0.01 -0.02 0.07 -0.02 -0.01 -0.02 0.02 0.02 0.01 0.05 0.00 0.00 0.06 -0.00 0.04 0.06 -0.01 0.04 0.06 -0.00 0.00 -0.04 0.01 0.01 0.02 0.02 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.02 -0.02 0.01 -0.00 -0.03 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.03 -0.01 -0.02 0.03 0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.02 -0.00 -0.02 -0.02 0.01 -0.01 -0.03 0.00 -0.00 0.00 0.01 -0.02 -0.03 0.01 -0.01 -0.01 -0.03 0.00 0.02 -0.02 0.01 0.00 -0.02 0.03 -0.01 -0.03 -0.01 0.01 -0.03 -0.00 -0.01 0.02 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.06 0.02 0.05 0.05 0.09 0.05 -0.06 0.13 -0.06 0.04 -0.11 -0.10 0.13 -0.07 0.07 -0.05 0.31 0.45 0.10 0.04 -0.42 0.32 -0.31 -0.00 -0.44 -0.01 -0.00 -0.02 -0.02 -0.00 -0.01 0.02 0.01 -0.02 -0.01 -0.03 -0.03 0.02 -0.02 -0.03 0.01 -0.00 0.01 0.00 0.03 0.06 0.04 -0.02 -0.03 -0.04 -0.05 0.06 -0.02 -0.02 0.03 -0.00 -0.02 -0.04 -0.00 -0.01 -0.03 0.01 0.01 -0.04 -0.04 0.04 0.01 -0.03 0.03 -0.05 -0.05 0.03 -0.02 0.02 0.03 0.00 -0.02 -0.01 0.00 -0.02 0.07 0.08 0.08 -0.03 0.02 0.07 -0.01 0.10 -0.03 0.05 -0.02 -0.03 -0.05 0.02 -0.04 0.00 -0.03 0.01 0.03 -0.04 -0.00 -0.06 -0.06 0.03 -0.04 -0.07 0.00 0.00 -0.03 0.02 -0.06 -0.06 0.04 -0.01 -0.02 -0.09 0.06 -0.00 -0.02 0.03 -0.06 -0.05 0.04 -0.07 -0.08 0.04 -0.02 -0.04 0.03 -0.01 -0.03 0.05 -0.01 -0.02 0.03 0.02 -0.01 0.02 -0.02 -0.02 -0.04 0.18 0.03 0.18 0.15 0.18 0.04 -0.14 0.38 -0.14 -0.01 -0.10 -0.23 0.15 0.05 0.21 -0.06 -0.13 -0.22 0.13 0.14 0.19 -0.08 0.28 -0.01 0.36 -0.05 -0.07 0.03 -0.07 0.01 -0.02 0.02 0.06 -0.04 -0.02 -0.09 -0.06 0.06 -0.05 -0.08 0.03 0.03 -0.07 -0.09 -0.01 -0.07 0.07 -0.05 0.03 0.01 -0.03 0.04 0.01 -0.03 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.02 -0.02 -0.02 -0.01 0.06 -0.00 0.01 -0.01 -0.00 0.02 0.01 -0.02 0.05 -0.02 -0.00 0.00 0.00 -0.01 -0.05 0.12 -0.15 0.06 -0.04 0.02 0.09 -0.02 0.04 -0.08 0.18 -0.06 0.01 -0.01 0.03 -0.02 0.12 -0.02 -0.10 0.08 0.01 0.07 -0.06 0.08 0.01 -0.10 0.12 -0.01 0.00 -0.02 0.05 -0.14 0.13 0.03 -0.03 -0.02 -0.02 0.06 0.00 0.00 -0.02 0.02 0.03 0.01 -0.00 0.03 -0.03 -0.01 0.06 0.02 -0.06 0.05 -0.03 -0.01 0.00 0.04 0.01 -0.01 0.00 -0.03 -0.05 0.26 -0.28 -0.02 -0.05 -0.27 -0.23 -0.26 0.23 -0.01 -0.01 0.05 0.11 -0.02 -0.05 0.09 -0.10 0.06 0.14 0.13 0.12 0.14 -0.17 0.13 0.01 -0.03 -0.07 0.02 -0.00 0.05 -0.03 0.18 -0.05 -0.19 0.10 -0.02 0.14 -0.06 0.11 0.02 -0.16 0.15 -0.02 0.01 -0.06 0.01 0.01 -0.03 0.06 0.02 -0.02 -0.00 0.03 -0.05 -0.00 0.02 -0.03 -0.00 -0.03 0.01 -0.00 -0.02 0.03 -0.02 -0.03 0.01 -0.03 -0.05 0.04 -0.04 0.01 0.06 -0.05 -0.01 0.07 -0.00 -0.02 0.00 0.00 -0.02 0.03 -0.02 -0.02 -0.03 -0.02 0.03 -0.03 0.01 -0.00 0.01 -0.03 0.03 -0.02 -0.00 0.00 -0.04 0.00 0.03 -0.01 -0.02 0.01 -0.01 0.03 -0.00 0.02 0.01 -0.02 0.02 0.00 -0.02 0.01 0.03 -0.02 0.03 -0.02 -0.02 -0.00 -0.02 -0.05 0.03 -0.07 0.00 0.09 -0.01 0.06 0.06 -0.04 0.02 0.06 -0.07 -0.02 0.11 0.01 -0.02 0.02 0.00 -0.07 0.00 0.01 -0.03 0.05 -0.01 0.02 -0.07 0.01 -0.07 -0.07 0.68 0.35 -0.48 -0.08 0.04 -0.06 0.03 0.10 -0.05 -0.00 -0.02 0.00 -0.03 -0.05 0.01 0.03 0.05 -0.04 0.05 0.01 0.08 -0.01 0.00 -0.06 0.01 0.05 -0.02 -0.04 0.02 -0.01 0.04 -0.00 0.03 -0.00 -0.04 0.04 0.00 -0.03 0.05 0.07 0.01 -0.06 -0.07 -0.09 0.15 -0.04 0.06 -0.02 -0.01 0.08 0.03 0.02 -0.00 0.01 0.02 -0.01 0.04 0.04 0.06 -0.07 -0.03 -0.06 0.05 -0.08 0.09 -0.13 -0.15 0.03 -0.01 0.04 0.01 -0.09 0.00 -0.01 0.01 -0.04 -0.09 -0.06 -0.02 -0.05 -0.02 0.13 -0.10 0.09 -0.00 -0.07 -0.01 -0.03 0.02 -0.03 0.05 -0.01 0.00 -0.01 -0.05 -0.01 0.03 0.05 0.04 -0.02 0.03 0.03 0.03 0.04 0.05 0.02 0.07 0.04 0.02 0.07 -0.07 0.01 -0.10 0.08 -0.04 0.12 -0.20 -0.15 0.09 -0.18 -0.25 0.09 -0.00 -0.20 0.02 0.06 -0.04 0.03 -0.13 -0.00 -0.07 -0.01 0.04 0.03 0.04 -0.06 0.01 -0.14 -0.05 -0.20 -0.13 -0.11 -0.15 0.16 0.06 -0.05 0.04 -0.10 -0.10 0.07 -0.10 -0.03 -0.09 0.01 -0.07 0.25 0.22 -0.17 0.10 0.23 -0.16 0.09 -0.05 0.00 -0.05 0.10 -0.01 -0.03 -0.01 -0.08 -0.01 0.04 0.07 0.04 -0.08 0.03 0.07 0.06 0.03 0.09 0.04 -0.00 -0.04 0.22 -0.03 -0.03 -0.04 -0.05 0.05 -0.03 -0.04 0.03 -0.01 -0.03 -0.05 0.02 0.01 -0.03 -0.00 0.07 0.01 -0.01 0.00 -0.01 -0.04 0.06 -0.07 -0.07 0.04 -0.04 -0.04 0.11 0.09 -0.00 -0.00 -0.01 -0.03 -0.04 -0.04 0.10 -0.04 0.18 -0.17 0.06 -0.01 0.01 -0.06 -0.01 -0.04 -0.06 0.01 0.04 -0.02 -0.00 -0.01 -0.05 -0.00 0.02 0.04 0.03 -0.03 0.03 0.03 -0.00 -0.02 -0.04 -0.00 0.06 0.03 0.08 0.01 0.04 0.01 -0.03 0.01 -0.01 0.08 -0.13 -0.09 0.02 -0.10 -0.10 0.05 -0.04 -0.09 0.03 -0.02 -0.09 0.12 0.06 -0.00 0.01 -0.00 0.01 0.02 -0.01 -0.04 -0.00 -0.06 -0.05 -0.07 -0.06 0.16 -0.17 -0.03 -0.00 0.05 0.32 0.20 -0.11 -0.07 0.23 -0.23 0.34 -0.10 0.04 -0.11 -0.31 0.06 0.05 -0.20 0.03 -0.11 -0.05 -0.08 0.01 0.08 -0.02 -0.03 -0.02 -0.07 -0.00 0.03 0.06 0.03 -0.07 0.03 0.05 0.02 0.01 -0.07 -0.04 -0.03 0.01 -0.09 -0.05 0.14 -0.03 -0.04 0.06 -0.02 -0.01 0.04 0.00 -0.01 -0.03 0.02 0.04 -0.01 0.03 0.05 -0.01 0.06 0.07 -0.02 0.07 0.00 -0.07 0.08 0.01 -0.08 0.02 0.01 -0.02 -0.01 0.01 -0.02 0.03 0.04 -0.01 -0.02 -0.00 0.01 0.00 -0.03 -0.01 0.03 -0.01 -0.00 -0.03 -0.04 0.02 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.02 -0.03 0.01 0.00 -0.01 0.05 0.01 0.04 0.06 -0.01 0.11 0.02 -0.12 0.04 -0.07 -0.06 0.06 -0.08 -0.07 0.11 0.03 -0.17 -0.01 0.02 -0.04 -0.01 0.06 -0.00 0.00 0.04 -0.04 0.01 0.05 -0.01 -0.00 0.04 -0.01 0.64 0.28 -0.42 -0.16 0.07 0.08 0.06 0.09 -0.05 -0.02 -0.19 0.06 0.02 0.02 0.01 -0.02 -0.09 0.05 -0.01 -0.06 -0.09 -0.04 -0.05 0.03 -0.00 -0.02 0.01 -0.01 -0.02 0.01 0.00 0.01 -0.00 -0.01 0.02 -0.00 0.03 0.03 -0.05 -0.02 -0.02 -0.02 0.13 -0.04 0.08 -0.00 -0.01 0.01 -0.00 -0.02 -0.00 -0.00 -0.01 -0.01 0.01 0.02 0.03 -0.05 -0.03 -0.03 0.03 0.07 0.04 0.01 -0.02 0.02 0.05 -0.01 -0.02 -0.08 0.00 -0.02 -0.00 -0.00 0.01 0.00 0.03 -0.02 -0.07 0.06 -0.09 -0.03 0.07 0.02 0.03 -0.04 -0.03 -0.00 -0.01 0.00 0.04 -0.02 -0.02 -0.00 -0.05 -0.00 0.02 0.03 0.01 -0.03 0.02 0.03 -0.00 -0.01 -0.01 -0.03 0.05 0.03 -0.07 -0.01 -0.04 0.03 0.05 0.06 -0.02 -0.04 0.08 0.06 -0.00 0.05 0.03 -0.11 -0.01 0.08 0.02 -0.12 -0.06 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.02 0.02 -0.06 0.07 -0.04 -0.00 -0.01 -0.05 0.10 -0.11 0.07 0.36 -0.14 -0.23 -0.36 -0.15 0.22 -0.17 0.47 -0.27 -0.04 0.07 0.03 0.04 0.09 -0.03 -0.05 0.11 0.09 -0.00 -0.02 0.01 0.07 -0.03 -0.04 -0.02 -0.09 -0.01 0.05 0.05 0.03 -0.06 0.03 0.05 -0.00 -0.00 -0.02 0.00 -0.01 0.01 0.07 0.30 -0.04 -0.07 -0.07 0.02 -0.06 -0.08 0.00 -0.03 -0.11 -0.09 0.04 0.13 0.13 0.03 0.06 0.05 0.03 0.06 0.12 0.02 0.02 -0.02 -0.01 -0.01 0.01 0.08 -0.02 -0.06 0.01 -0.02 0.08 -0.02 0.03 -0.03 -0.06 -0.00 -0.03 0.10 -0.09 -0.03 0.01 -0.01 0.01 -0.07 -0.13 -0.03 0.01 -0.02 0.01 0.02 -0.02 0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.02 -0.07 -0.07 -0.02 0.03 -0.02 -0.09 0.09 0.07 0.04 -0.00 0.19 0.06 0.05 -0.09 -0.03 -0.04 -0.03 -0.08 -0.12 0.03 0.01 0.02 -0.10 0.07 -0.03 -0.09 0.03 -0.11 0.03 0.01 -0.06 0.15 -0.10 0.19 -0.14 -0.04 -0.14 -0.14 -0.27 0.25 0.27 -0.19 0.05 0.01 -0.02 0.12 0.03 -0.16 -0.11 -0.10 0.04 -0.10 0.03 0.09 -0.12 -0.00 0.16 -0.15 -0.06 -0.11 -0.18 -0.04 0.00 -0.03 0.02 0.03 -0.03 0.02 -0.02 0.01 -0.02 0.00 0.02 -0.02 0.03 -0.04 -0.10 0.05 0.00 -0.01 -0.01 0.03 -0.01 0.07 -0.03 0.00 0.04 -0.06 -0.03 -0.01 0.04 0.02 -0.07 0.04 -0.01 -0.08 -0.05 0.01 -0.05 0.11 -0.01 -0.06 -0.04 0.05 -0.01 0.02 -0.02 -0.01 -0.07 0.01 -0.09 0.06 -0.03 -0.08 0.08 -0.01 0.10 -0.07 -0.04 0.10 0.02 0.08 -0.01 -0.06 0.00 0.06 0.02 0.03 0.03 -0.07 0.01 0.03 -0.11 0.00 -0.00 0.00 0.01 -0.04 0.04 -0.01 -0.03 -0.02 -0.02 -0.04 0.10 -0.01 -0.09 -0.05 0.02 -0.08 0.12 -0.02 -0.10 -0.06 0.11 -0.01 -0.00 0.08 0.01 -0.05 -0.02 0.05 0.04 -0.10 0.02 -0.08 0.01 -0.16 0.19 0.08 -0.18 -0.00 -0.17 -0.14 0.09 -0.00 -0.13 0.07 -0.01 0.10 0.03 -0.10 -0.09 -0.02 -0.08 0.27 0.02 -0.27 0.26 -0.17 0.13 0.13 0.16 0.19 0.28 -0.09 0.09 0.02 0.08 0.10 0.10 0.06 0.07 0.06 -0.09 0.00 0.06 -0.18 0.02 0.02 -0.03 0.02 -0.07 0.05 0.01 -0.08 -0.03 -0.05 0.01 0.00 -0.05 -0.04 0.04 -0.02 0.01 -0.01 0.01 0.00 -0.02 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.01 0.02 0.01 0.02 0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.03 0.00 -0.00 -0.03 0.02 -0.01 0.03 -0.01 0.17 -0.02 0.01 0.01 0.01 -0.02 -0.03 -0.03 -0.03 -0.12 0.01 -0.01 0.01 0.02 0.04 -0.11 -0.07 -0.05 -0.08 0.08 0.02 0.06 -0.06 -0.01 0.08 -0.01 -0.01 -0.01 0.03 0.00 0.11 0.01 0.01 0.02 -0.03 0.02 0.01 0.02 0.01 -0.02 0.00 -0.02 -0.01 -0.00 -0.03 -0.00 0.01 -0.01 -0.03 0.02 0.00 -0.01 -0.10 0.06 0.06 -0.06 0.04 -0.10 -0.03 -0.32 0.47 0.16 0.35 0.38 -0.07 0.07 0.02 -0.04 0.02 0.03 -0.02 0.04 0.05 -0.06 -0.02 -0.02 -0.00 -0.05 -0.05 -0.04 -0.00 -0.02 0.02 -0.04 -0.04 0.01 0.00 0.01 0.09 0.09 -0.19 -0.15 -0.12 -0.11 0.17 0.06 0.10 -0.16 -0.02 0.15 -0.02 -0.01 -0.02 -0.02 -0.02 -0.00 -0.03 -0.00 -0.04 -0.06 0.04 -0.02 -0.03 0.07 0.02 0.02 -0.04 -0.01 -0.04 -0.01 -0.03 -0.03 -0.02 -0.01 -0.03 0.06 -0.02 -0.01 -0.03 0.02 0.02 0.01 -0.01 -0.02 -0.02 0.01 0.13 -0.09 0.05 -0.01 0.08 0.02 0.05 -0.03 -0.00 0.01 0.02 0.04 0.02 0.01 -0.04 -0.05 -0.01 -0.04 0.06 -0.05 -0.03 0.01 -0.02 -0.02 0.01 0.05 -0.00 0.01 -0.02 0.03 0.04 0.02 0.03 -0.03 0.06 0.02 -0.02 -0.03 -0.00 -0.08 0.10 -0.05 -0.02 -0.04 0.05 0.01 -0.01 0.03 0.03 -0.02 -0.01 0.05 0.01 -0.04 0.01 -0.03 0.02 0.45 -0.27 -0.26 0.29 -0.16 0.47 -0.03 0.00 0.10 0.01 0.17 0.08 -0.06 -0.01 -0.02 -0.02 -0.01 -0.01 0.13 -0.01 -0.12 0.14 -0.06 0.08 0.03 0.07 0.06 0.07 -0.02 0.04 -0.02 0.04 0.04 -0.09 -0.05 -0.07 0.10 -0.10 -0.03 -0.02 -0.06 -0.03 0.04 0.09 0.01 0.02 -0.07 0.05 0.09 0.02 0.07 -0.05 -0.03 0.02 -0.00 -0.01 -0.02 -0.01 0.01 -0.01 -0.00 0.02 -0.00 0.00 -0.00 0.01 -0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.00 -0.02 0.01 -0.00 -0.03 -0.00 0.02 0.01 0.01 -0.00 0.02 -0.02 0.02 0.03 0.03 -0.02 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.03 0.04 -0.01 -0.01 0.00 -0.01 -0.06 0.18 -0.05 0.14 -0.17 0.04 0.11 -0.16 0.01 -0.06 0.18 -0.04 0.01 0.00 0.01 -0.02 0.02 -0.01 0.01 -0.00 -0.00 -0.02 -0.01 0.00 -0.02 0.01 -0.00 -0.03 0.02 -0.01 -0.04 0.03 0.02 -0.04 -0.01 0.05 0.01 0.01 -0.00 0.06 -0.06 -0.02 0.04 -0.02 0.07 0.05 0.03 -0.03 0.06 0.01 -0.03 -0.01 -0.00 -0.01 0.00 0.01 0.03 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.02 -0.01 -0.02 0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.01 -0.02 -0.17 0.34 -0.07 0.26 -0.41 0.09 0.26 -0.38 0.07 -0.14 0.37 -0.09 0.01 0.00 0.02 0.18 0.10 -0.04 -0.01 -0.02 0.03 -0.04 0.01 0.01 -0.02 0.02 0.02 0.01 -0.02 -0.01 0.01 0.03 -0.04 0.02 -0.01 -0.00 0.02 0.08 -0.02 0.10 -0.05 0.02 0.13 0.00 -0.05 -0.01 -0.02 0.02 0.10 -0.03 -0.01 -0.14 -0.03 0.01 -0.01 0.02 -0.01 -0.02 0.01 -0.01 -0.15 -0.07 0.06 -0.03 -0.02 -0.01 -0.20 0.08 0.06 -0.10 -0.07 0.02 -0.07 -0.11 0.07 -0.12 0.01 -0.04 0.02 0.01 0.00 0.04 -0.07 -0.00 0.01 -0.01 0.00 0.05 0.08 -0.05 0.11 -0.07 0.03 0.12 -0.08 0.04 0.17 -0.12 -0.04 0.19 0.03 -0.17 0.01 -0.02 0.03 0.27 -0.10 -0.17 0.19 -0.04 0.21 -0.20 0.02 -0.02 -0.21 -0.07 -0.00 0.01 -0.03 -0.00 0.01 -0.01 -0.04 -0.03 0.02 0.03 -0.02 0.06 -0.03 0.01 0.01 -0.05 -0.03 0.02 -0.02 -0.04 0.03 -0.01 -0.06 -0.04 -0.02 -0.26 0.22 0.02 -0.04 -0.05 0.04 -0.14 -0.21 0.04 -0.23 0.10 -0.02 0.05 0.02 0.01 0.02 -0.00 -0.00 0.01 -0.06 -0.03 0.01 0.01 -0.01 0.01 0.01 -0.00 0.00 0.02 0.01 -0.02 -0.04 -0.02 0.02 -0.06 0.01 -0.05 0.06 0.00 -0.03 -0.04 0.03 -0.01 -0.00 0.01 0.15 0.06 0.01 -0.02 -0.01 -0.01 -0.06 0.11 -0.02 -0.04 0.09 0.12 0.04 -0.10 -0.11 -0.03 0.04 -0.01 0.01 0.02 0.00 0.03 -0.07 0.01 0.01 -0.05 0.01 -0.01 0.00 0.00 -0.00 -0.02 0.00 0.00 0.01 0.01 -0.05 0.09 -0.02 0.07 -0.11 0.05 -0.10 0.11 -0.03 -0.06 -0.06 0.08 0.01 0.01 0.04 0.01 -0.03 0.01 0.05 0.00 -0.02 0.20 0.05 0.05 -0.02 0.01 -0.00 -0.03 -0.01 -0.02 -0.09 0.15 -0.05 -0.07 0.05 -0.05 0.05 -0.04 -0.06 0.06 0.11 0.25 -0.20 0.06 0.37 -0.28 0.04 -0.08 -0.03 -0.28 -0.21 -0.21 -0.00 -0.07 0.18 -0.23 -0.18 0.02 0.03 0.01 0.08 -0.16 0.03 0.05 -0.12 0.02 0.02 -0.06 0.02 0.04 -0.11 0.03 -0.01 0.01 0.01 0.03 0.00 -0.00 -0.02 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.06 -0.02 0.00 0.08 0.05 -0.01 0.00 -0.07 0.04 0.10 0.04 -0.03 0.01 -0.05 0.04 -0.05 -0.04 0.02 0.01 0.01 -0.02 0.00 0.02 0.00 -0.01 -0.02 -0.04 -0.05 0.04 0.02 -0.12 0.18 -0.04 -0.01 -0.01 0.00 -0.01 -0.05 0.02 -0.02 -0.03 0.01 0.00 -0.07 0.02 0.01 -0.08 0.02 0.00 0.00 0.00 -0.12 0.18 -0.03 0.08 0.09 -0.06 -0.02 -0.08 0.06 0.14 0.08 -0.13 0.02 -0.00 -0.08 -0.00 -0.01 0.04 -0.04 -0.06 0.07 -0.11 -0.03 -0.01 -0.10 0.02 0.06 -0.00 0.08 -0.13 0.05 0.00 -0.00 0.12 0.02 -0.01 -0.03 0.04 0.02 -0.05 -0.05 -0.15 0.04 0.03 -0.08 0.05 0.04 -0.00 0.02 0.08 -0.01 0.01 0.05 -0.01 -0.13 0.12 0.06 -0.01 0.00 -0.01 0.12 -0.31 0.08 0.13 -0.31 0.06 0.15 -0.37 0.08 0.18 -0.39 0.09 0.01 0.01 -0.00 0.01 0.01 -0.00 0.04 0.04 0.05 0.01 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.08 0.04 0.04 -0.12 0.03 -0.02 0.02 -0.06 -0.10 -0.02 -0.05 0.05 0.08 0.00 -0.03 -0.02 0.17 -0.15 -0.04 -0.01 0.07 0.05 -0.08 -0.02 0.01 -0.01 -0.00 0.03 -0.00 0.01 -0.03 0.06 -0.00 0.01 0.00 -0.01 -0.03 0.01 0.01 -0.02 0.02 0.02 -0.01 -0.04 0.01 0.00 -0.03 0.01 -0.01 -0.01 -0.00 -0.04 0.04 -0.01 -0.14 0.01 0.02 0.10 -0.10 -0.09 -0.03 -0.11 0.13 0.06 -0.11 0.13 0.16 0.11 -0.04 0.07 -0.02 0.09 0.03 0.16 -0.12 0.03 -0.03 0.01 -0.05 -0.09 0.15 0.17 -0.24 0.09 0.07 0.11 0.10 0.03 -0.08 0.03 0.12 0.07 0.29 -0.05 -0.22 -0.10 0.01 -0.18 0.04 -0.17 0.02 0.24 0.07 -0.14 0.09 0.23 -0.19 -0.06 0.02 0.02 -0.03 0.01 -0.08 0.05 0.04 -0.08 0.04 0.05 -0.17 0.03 0.08 -0.16 0.03 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.06 -0.03 -0.12 0.00 -0.01 -0.00 0.01 0.03 -0.02 0.00 0.01 0.02 0.00 -0.09 0.03 0.02 0.02 -0.11 0.01 0.03 0.18 0.11 -0.01 -0.02 0.07 -0.08 0.10 -0.05 0.15 -0.11 -0.06 -0.07 0.06 -0.02 0.07 0.03 0.02 -0.02 0.00 -0.04 0.04 0.03 0.02 -0.04 -0.01 0.01 0.03 -0.02 0.00 -0.03 -0.02 0.00 -0.02 -0.01 -0.01 0.02 -0.00 -0.02 0.02 0.00 -0.00 0.01 0.02 0.02 -0.04 0.02 0.06 0.03 -0.14 -0.08 0.11 0.12 0.17 -0.06 -0.02 0.05 -0.02 -0.07 -0.03 -0.28 0.13 0.09 -0.03 -0.12 -0.09 0.17 -0.11 -0.20 -0.06 0.17 -0.10 -0.01 -0.10 -0.16 0.27 -0.10 0.01 -0.16 -0.12 -0.05 0.13 -0.06 0.08 0.05 0.22 0.02 -0.20 -0.18 0.09 -0.15 0.09 -0.16 0.06 0.17 -0.01 -0.04 0.07 0.07 -0.07 -0.01 0.02 0.05 -0.04 -0.03 0.04 -0.04 -0.05 0.04 -0.03 -0.05 0.12 -0.01 -0.08 0.10 -0.00 -0.01 -0.01 0.04 0.01 0.01 -0.00 0.05 -0.05 -0.05 0.00 -0.05 0.06 0.04 0.05 -0.11 -0.01 -0.01 0.05 -0.09 -0.07 0.07 0.02 0.10 0.10 -0.00 0.01 -0.09 0.04 0.10 -0.05 0.04 0.07 -0.09 0.02 -0.08 0.05 -0.13 -0.12 0.22 0.01 0.04 -0.03 -0.02 -0.01 -0.02 0.02 -0.02 -0.01 0.02 -0.00 0.01 0.04 0.07 -0.09 -0.00 -0.01 0.00 -0.01 -0.01 0.03 -0.02 0.00 -0.01 -0.02 -0.00 0.01 -0.01 -0.02 0.04 -0.01 -0.03 0.00 0.09 0.16 0.01 -0.00 0.05 -0.14 0.25 0.17 -0.32 -0.14 -0.18 -0.09 0.07 0.01 -0.09 -0.02 0.09 -0.15 -0.01 -0.08 0.00 -0.15 -0.12 0.23 -0.18 -0.18 0.17 0.06 -0.06 0.04 -0.03 0.15 0.05 0.03 -0.08 -0.04 -0.09 -0.05 -0.18 -0.00 0.13 0.09 -0.06 0.08 -0.08 0.08 -0.01 -0.07 0.03 0.01 -0.04 -0.04 0.04 0.02 0.07 0.16 -0.21 -0.03 -0.00 0.02 -0.03 -0.01 0.02 -0.04 0.03 -0.02 -0.03 0.03 -0.01 -0.04 -0.05 0.09 -0.02 -0.01 -0.02 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.02 0.00 0.01 -0.01 -0.02 0.02 -0.02 0.02 0.04 0.02 -0.06 -0.01 0.00 0.06 -0.01 0.02 0.01 -0.06 0.05 -0.00 0.01 -0.01 0.00 0.01 -0.04 -0.05 0.02 0.04 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.11 -0.00 -0.01 0.02 0.27 0.17 0.15 -0.20 -0.07 0.22 0.23 0.09 -0.23 -0.24 -0.16 -0.15 0.00 0.01 -0.00 0.02 -0.03 -0.11 0.02 0.06 -0.02 -0.10 -0.00 0.02 0.12 0.01 -0.06 -0.02 -0.08 -0.01 0.04 -0.04 0.04 -0.01 -0.06 0.05 -0.01 0.01 -0.03 0.01 0.02 -0.04 0.00 0.00 -0.03 -0.03 -0.09 0.14 -0.04 0.14 0.12 0.01 -0.05 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.02 0.01 0.03 0.02 -0.02 0.01 0.02 -0.01 -0.01 -0.01 -0.02 0.04 0.21 0.16 0.20 -0.10 0.02 0.26 0.11 0.05 -0.28 -0.18 -0.10 -0.23 0.00 0.01 -0.01 0.02 0.01 -0.01 -0.07 0.02 -0.02 -0.01 -0.02 0.04 0.00 0.02 -0.04 -0.00 -0.02 0.02 0.08 -0.06 0.04 -0.03 -0.16 -0.09 0.16 0.08 0.08 -0.14 -0.00 -0.06 -0.01 0.16 -0.10 0.00 -0.02 0.03 -0.00 -0.03 0.07 0.12 -0.06 0.02 0.02 0.01 0.05 -0.03 0.01 0.01 0.03 0.03 0.01 0.01 0.02 -0.04 -0.00 0.04 -0.01 -0.08 0.02 0.07 0.03 -0.04 -0.06 -0.06 -0.07 0.01 -0.00 -0.01 0.00 -0.07 0.02 -0.02 -0.06 -0.22 0.01 0.24 0.10 0.01 -0.33 -0.09 0.23 0.08 0.27 0.00 -0.16 -0.03 -0.06 0.08 0.19 -0.25 0.02 -0.00 0.07 -0.07 -0.03 0.11 -0.01 0.02 -0.00 0.05 0.06 -0.06 0.15 -0.17 -0.05 -0.06 0.22 0.05 0.02 0.02 0.05 0.05 -0.00 -0.01 0.06 0.01 0.08 0.03 -0.02 -0.07 -0.07 0.06 -0.01 -0.08 0.05 0.02 0.01 0.06 -0.12 -0.01 -0.03 0.04 -0.08 -0.06 0.07 0.09 -0.15 -0.03 0.03 -0.18 0.01 0.00 -0.00 0.00 0.09 0.04 -0.02 0.01 -0.00 -0.01 0.02 0.06 -0.12 -0.00 -0.04 0.09 0.01 0.05 -0.04 -0.01 -0.01 0.02 -0.00 0.03 0.04 0.01 -0.04 -0.03 -0.04 0.02 0.00 -0.05 -0.05 0.03 -0.00 0.00 -0.00 -0.01 -0.03 -0.03 0.20 0.16 -0.06 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.13 0.08 -0.03 -0.02 -0.04 0.10 -0.05 -0.12 -0.10 -0.05 -0.07 0.16 -0.12 -0.03 -0.11 -0.12 0.02 0.12 0.01 0.02 -0.00 -0.14 -0.16 0.05 0.00 0.04 0.02 -0.10 -0.03 0.02 -0.04 0.07 -0.05 -0.06 -0.01 0.00 -0.05 0.12 0.01 -0.09 -0.08 0.19 -0.01 -0.00 -0.02 -0.03 -0.09 -0.05 -0.01 -0.04 -0.02 0.29 0.10 -0.03 0.25 0.19 -0.05 0.01 -0.01 -0.00 -0.02 -0.01 -0.02 -0.01 0.00 -0.00 -0.01 -0.01 -0.02 -0.01 0.00 0.02 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.03 -0.14 0.29 -0.22 -0.11 0.02 -0.24 -0.12 0.09 -0.12 0.19 -0.11 -0.13 0.21 0.01 0.00 0.02 -0.01 0.02 0.01 -0.01 -0.01 0.03 0.07 -0.03 -0.09 0.22 -0.01 0.05 -0.14 -0.03 -0.10 0.07 0.04 0.05 -0.05 0.03 -0.03 -0.06 -0.05 -0.04 -0.03 0.02 -0.04 0.01 -0.03 -0.09 0.06 -0.00 0.01 -0.00 0.08 0.13 -0.00 0.02 0.08 -0.02 0.00 0.01 0.01 -0.01 0.01 0.00 0.03 0.03 -0.01 0.02 0.06 -0.18 0.01 -0.06 -0.02 0.01 -0.04 0.05 -0.04 0.02 -0.03 -0.04 0.02 0.03 -0.02 -0.04 -0.02 -0.02 -0.07 0.02 0.00 -0.04 -0.03 -0.13 -0.07 0.05 -0.13 -0.02 0.13 0.12 0.12 0.03 -0.01 0.16 0.03 -0.05 -0.14 0.29 -0.01 0.02 0.00 0.10 0.26 0.04 0.10 0.19 -0.03 0.07 0.02 0.01 0.04 0.12 0.00 -0.01 -0.03 0.05 0.02 0.01 0.03 -0.00 -0.02 -0.01 0.02 -0.00 0.02 -0.00 0.00 -0.01 -0.02 0.01 0.00 -0.02 0.01 -0.00 0.04 0.22 -0.53 -0.05 -0.03 0.01 -0.05 -0.04 0.03 -0.08 0.14 -0.05 -0.07 0.12 -0.01 0.01 -0.02 -0.04 0.00 0.00 -0.00 0.01 -0.01 -0.02 0.01 0.02 -0.05 -0.02 -0.10 0.18 -0.03 -0.11 0.23 -0.01 -0.01 0.01 -0.01 0.02 0.03 0.01 0.01 0.01 -0.01 0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.02 -0.03 -0.04 0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.08 -0.11 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 0.14 -0.20 -0.00 0.00 0.00 -0.01 0.03 0.02 0.02 0.01 -0.00 0.05 0.01 -0.05 -0.06 -0.07 -0.00 0.00 -0.05 0.01 -0.01 0.02 -0.06 0.01 -0.00 -0.01 -0.00 -0.08 -0.07 -0.00 -0.04 0.01 0.00 0.01 -0.01 0.01 -0.03 -0.01 0.01 -0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.00 0.02 0.01 -0.01 0.00 0.02 -0.01 -0.00 0.06 0.20 -0.29 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.02 0.01 0.11 0.41 -0.68 -0.01 -0.01 0.00 -0.01 0.07 0.08 0.02 0.06 -0.09 -0.01 -0.04 0.05 -0.01 -0.01 0.00 0.02 -0.03 0.05 0.07 -0.10 -0.15 -0.04 -0.04 -0.08 0.08 0.01 -0.08 0.03 -0.01 -0.06 -0.00 -0.02 0.02 -0.05 -0.04 0.15 -0.07 0.05 -0.03 0.02 0.02 0.04 -0.03 0.01 0.01 -0.07 0.05 -0.00 0.01 -0.02 0.02 0.04 -0.04 0.05 0.03 -0.05 -0.02 -0.02 0.05 0.02 -0.02 0.04 -0.04 -0.00 0.01 -0.04 0.07 -0.05 0.00 0.04 -0.11 -0.12 -0.05 -0.06 -0.05 -0.21 0.00 0.20 0.33 0.32 -0.01 0.03 0.29 -0.08 0.04 -0.06 0.23 -0.04 0.02 0.04 -0.18 -0.12 0.21 -0.10 -0.03 0.03 0.00 -0.10 0.08 -0.06 0.21 0.07 -0.01 0.10 0.10 0.03 0.02 0.04 0.03 -0.00 -0.00 0.05 0.03 0.07 0.05 -0.01 -0.10 -0.07 0.07 -0.02 -0.11 0.07 0.02 -0.01 -0.07 0.10 0.08 -0.06 0.04 0.09 -0.07 0.00 -0.11 0.12 -0.01 -0.09 0.12 -0.04 0.01 0.04 -0.10 -0.01 -0.00 0.00 -0.00 -0.02 -0.04 -0.01 -0.03 0.03 0.00 0.03 -0.01 0.01 0.01 0.00 0.05 -0.02 0.01 -0.04 0.02 0.08 0.07 0.00 0.03 -0.08 -0.01 0.04 0.01 0.07 -0.03 0.00 0.02 -0.02 0.03 -0.03 -0.08 0.01 -0.05 0.01 -0.01 -0.02 -0.03 -0.00 0.01 0.00 -0.15 0.19 -0.04 -0.01 0.01 0.00 0.06 -0.08 0.07 0.04 -0.09 -0.02 -0.06 0.12 0.02 -0.07 0.11 -0.07 0.01 0.01 0.02 0.14 -0.16 0.02 -0.05 0.00 0.11 0.16 -0.01 -0.01 0.04 -0.04 -0.04 -0.14 -0.15 0.04 0.01 -0.11 -0.01 0.02 0.10 -0.19 0.03 0.01 -0.02 -0.01 -0.00 -0.04 0.04 0.02 -0.12 0.04 -0.03 -0.02 0.14 -0.06 -0.01 -0.01 0.05 0.00 -0.01 -0.01 0.00 -0.01 -0.03 -0.03 -0.03 -0.05 -0.04 -0.06 0.01 0.07 0.02 -0.03 0.02 0.05 -0.04 -0.00 0.00 0.04 -0.04 0.26 -0.38 0.11 0.28 -0.44 0.07 -0.13 0.13 -0.00 -0.11 0.09 -0.04 0.01 -0.00 0.04 0.00 0.00 -0.00 -0.02 -0.06 -0.02 0.02 0.10 -0.02 -0.02 -0.06 -0.01 -0.01 -0.04 -0.03 -0.13 0.06 -0.04 -0.05 -0.02 -0.08 -0.01 -0.01 0.06 0.06 0.06 -0.02 0.01 0.02 0.07 -0.02 -0.05 0.02 -0.02 0.20 0.13 0.03 -0.09 0.02 0.02 0.05 0.07 0.04 -0.03 -0.03 -0.01 0.05 -0.01 0.04 -0.04 0.00 0.00 -0.01 -0.03 0.00 0.01 0.02 -0.01 0.02 -0.04 -0.01 0.04 0.02 -0.02 -0.06 -0.05 0.00 -0.05 0.01 -0.02 0.02 -0.14 0.06 -0.00 0.02 0.24 -0.04 -0.08 -0.12 0.02 -0.16 -0.01 -0.33 0.11 -0.07 0.08 -0.27 -0.00 -0.04 0.04 0.25 0.20 -0.08 0.02 0.06 0.37 0.03 -0.05 -0.02 0.07 -0.12 -0.01 0.01 -0.19 -0.10 0.04 0.02 0.01 0.02 0.05 0.07 0.07 0.11 0.10 0.10 -0.03 -0.09 0.05 0.00 -0.06 -0.02 0.02 -0.00 -0.00 -0.11 0.02 0.07 -0.16 0.02 0.09 -0.19 0.06 0.06 -0.03 -0.01 0.07 -0.05 0.02 -0.02 -0.05 -0.06 -0.00 -0.00 0.00 -0.04 -0.12 -0.07 0.03 0.14 -0.03 -0.06 -0.06 0.00 -0.02 -0.07 -0.05 0.16 -0.07 0.04 0.04 0.03 0.13 0.02 0.01 -0.06 -0.09 -0.04 0.07 -0.01 0.03 -0.05 0.02 0.06 -0.03 0.14 0.18 0.20 -0.03 0.07 -0.01 -0.02 -0.06 -0.09 -0.04 0.04 0.03 -0.00 -0.02 0.01 0.02 -0.06 -0.01 0.01 -0.00 0.02 -0.00 -0.01 -0.02 0.01 -0.02 0.03 0.00 -0.03 -0.02 -0.02 -0.07 -0.06 0.00 0.04 -0.01 0.04 0.00 0.16 -0.02 0.05 -0.08 -0.02 0.01 -0.06 -0.13 -0.19 0.10 0.08 0.08 -0.06 0.02 0.03 -0.00 0.02 0.05 -0.05 -0.12 0.16 0.38 0.11 0.41 -0.11 -0.03 0.05 0.00 -0.05 0.09 0.00 -0.06 0.07 0.03 -0.04 -0.02 -0.01 -0.04 -0.08 -0.08 -0.08 -0.14 -0.12 -0.14 0.04 0.13 -0.06 -0.02 0.08 0.05 -0.05 -0.00 -0.06 -0.17 0.00 -0.06 0.14 -0.02 -0.06 0.13 -0.04 -0.06 0.06 0.00 -0.06 0.04 -0.02 0.03 -0.04 -0.08 -0.01 -0.01 0.00 -0.00 -0.03 -0.03 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.06 0.04 -0.00 -0.04 0.03 0.00 0.08 -0.02 0.05 -0.01 0.03 -0.04 -0.00 -0.05 -0.00 -0.02 -0.02 0.01 -0.04 0.04 -0.01 0.19 0.09 -0.01 0.00 0.02 0.03 0.03 -0.02 -0.02 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 0.13 -0.03 -0.08 -0.12 -0.04 -0.02 0.18 -0.07 -0.12 -0.14 -0.00 -0.01 -0.01 0.07 0.09 -0.03 -0.05 0.04 -0.01 -0.02 -0.02 0.11 -0.13 0.10 -0.00 0.09 0.06 0.03 -0.13 0.15 -0.01 0.00 -0.09 0.20 -0.02 -0.03 -0.01 0.15 0.04 -0.14 -0.00 -0.06 0.19 0.23 0.16 -0.08 0.28 -0.02 -0.08 0.01 -0.09 -0.07 0.00 -0.01 -0.03 0.02 0.04 0.03 0.04 0.07 0.05 0.04 -0.01 -0.02 0.06 -0.02 -0.04 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.04 0.18 0.06 -0.12 0.22 -0.17 -0.27 0.03 0.10 -0.37 0.09 -0.06 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.05 -0.04 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.03 0.03 0.00 0.00 0.05 0.05 0.01 0.02 0.05 0.03 -0.02 -0.04 0.01 -0.04 -0.08 0.01 0.01 0.01 -0.03 0.02 0.02 -0.00 -0.01 0.06 -0.01 -0.02 -0.02 0.00 0.01 -0.00 0.02 -0.04 0.01 0.01 -0.00 0.00 -0.01 0.03 -0.03 -0.02 0.04 -0.01 -0.01 0.04 -0.03 -0.02 0.04 0.00 -0.00 -0.01 -0.00 0.02 -0.04 0.01 -0.00 0.03 0.08 -0.10 0.01 0.12 -0.27 0.12 0.07 0.31 0.04 0.17 -0.13 0.39 -0.10 0.12 -0.12 0.34 0.01 -0.01 -0.02 0.06 0.01 -0.05 -0.01 -0.04 0.11 -0.11 0.18 -0.07 -0.05 -0.21 -0.05 0.00 -0.06 -0.06 -0.03 -0.02 -0.05 -0.00 0.02 0.01 -0.03 -0.02 -0.04 -0.02 0.01 0.02 -0.01 -0.01 0.02 0.02 -0.02 -0.01 0.01 -0.00 0.00 0.11 -0.19 0.01 0.11 -0.23 0.04 0.15 -0.19 0.03 0.14 -0.23 0.05 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 0.00 -0.01 -0.02 0.05 -0.02 0.04 -0.06 0.02 -0.04 0.07 -0.03 0.04 -0.06 0.02 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 0.02 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 -0.01 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.21 -0.38 0.07 -0.21 0.39 -0.07 0.27 -0.45 0.08 -0.25 0.47 -0.09 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.04 -0.04 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 0.02 -0.07 0.04 0.02 0.00 -0.03 0.06 0.03 -0.01 -0.02 0.03 0.03 -0.08 -0.05 -0.02 -0.00 0.01 0.00 -0.01 -0.07 -0.07 0.05 0.00 0.03 0.05 0.04 -0.03 -0.04 -0.07 0.11 -0.02 0.00 0.00 -0.01 0.04 -0.06 -0.03 0.04 -0.04 0.05 0.06 -0.06 -0.05 0.06 -0.02 0.06 -0.00 0.00 -0.00 -0.06 0.04 -0.01 -0.12 0.06 0.02 0.02 -0.08 0.11 -0.09 0.02 0.06 0.20 -0.06 0.13 -0.05 0.21 -0.09 0.07 -0.00 0.11 -0.04 -0.03 -0.02 0.00 0.01 0.00 0.01 0.02 -0.03 -0.10 0.01 -0.00 0.02 -0.15 -0.01 -0.00 -0.01 -0.03 0.02 -0.00 -0.02 0.03 0.03 0.01 0.07 0.11 0.10 0.04 0.01 0.00 0.12 -0.05 -0.06 0.04 -0.01 -0.01 -0.01 -0.02 0.02 -0.16 0.28 -0.10 -0.11 0.23 -0.01 -0.17 0.49 -0.14 -0.11 0.38 -0.06 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.02 0.02 0.01 -0.00 -0.01 -0.01 0.07 -0.03 0.03 -0.09 0.06 -0.03 -0.03 -0.01 -0.02 -0.02 -0.00 0.03 0.01 -0.01 -0.02 -0.12 -0.05 -0.02 0.09 -0.04 0.01 0.01 0.04 -0.01 0.01 0.09 0.13 0.08 -0.07 -0.09 0.03 -0.05 0.01 -0.02 -0.01 -0.00 -0.01 0.03 0.00 -0.02 0.02 -0.02 -0.02 0.03 0.01 -0.02 0.01 -0.02 0.00 0.01 0.00 0.02 -0.02 0.00 -0.18 0.15 -0.10 -0.10 0.00 0.00 0.07 -0.03 -0.02 -0.07 -0.15 0.06 0.10 0.06 -0.03 -0.02 -0.02 0.05 -0.18 -0.03 -0.06 -0.20 -0.01 0.24 0.03 0.13 -0.31 0.01 0.05 -0.02 -0.04 0.02 -0.01 -0.02 0.09 0.05 0.08 0.01 -0.01 0.06 0.05 -0.02 0.22 0.28 0.28 0.12 0.03 -0.04 0.29 -0.09 -0.17 0.02 0.03 0.02 -0.02 0.00 -0.04 0.07 -0.11 0.03 0.05 -0.10 0.01 0.10 -0.21 0.05 0.07 -0.18 0.03 0.03 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.03 -0.00 -0.01 0.02 -0.00 -0.03 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.07 -0.12 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.04 -0.09 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.02 0.01 0.00 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 0.01 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.12 -0.40 0.69 0.00 -0.00 -0.00 0.01 -0.02 0.00 0.00 -0.01 0.00 0.01 -0.02 0.00 -0.08 -0.29 0.48 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 0.08 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.08 -0.13 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.09 0.29 -0.50 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.11 -0.39 0.68 0.00 -0.00 -0.00 0.01 0.07 0.07 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.08 -0.06 -0.01 -0.04 -0.01 -0.08 -0.06 -0.04 0.02 0.02 0.05 0.01 0.06 -0.07 0.02 -0.00 0.00 0.01 0.00 0.01 0.06 0.01 0.16 0.01 0.00 -0.02 -0.01 0.01 0.01 0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.01 -0.02 -0.04 0.02 -0.01 -0.00 -0.03 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 0.06 -0.00 -0.10 -0.34 0.08 -0.07 0.23 -0.06 -0.06 -0.14 -0.16 0.00 0.22 0.10 -0.10 -0.12 0.04 -0.01 0.07 0.00 0.06 -0.00 0.01 0.02 0.01 0.04 -0.02 0.06 0.44 -0.24 -0.02 -0.51 -0.16 0.01 -0.03 0.03 0.02 0.03 0.07 -0.03 -0.04 0.00 -0.04 -0.07 -0.04 -0.02 -0.00 0.00 -0.04 0.01 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.04 -0.02 -0.05 -0.05 0.01 0.10 -0.01 -0.09 -0.01 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.02 0.01 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 0.02 -0.04 -0.03 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.08 0.04 -0.03 -0.06 -0.05 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.08 0.03 -0.00 -0.00 -0.03 0.04 0.02 -0.01 0.01 0.01 -0.01 0.00 0.00 0.02 -0.01 -0.01 -0.00 0.01 -0.07 0.16 0.24 -0.01 0.00 0.01 0.00 0.00 -0.02 0.00 -0.02 0.01 0.01 0.02 0.01 -0.01 -0.01 -0.00 0.01 0.21 0.36 -0.07 0.02 0.24 -0.27 -0.32 -0.26 0.10 0.16 0.03 0.32 0.00 -0.21 -0.27 0.25 0.29 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.17 0.06 0.01 -0.10 -0.15 -0.11 0.35 0.20 0.17 0.02 -0.03 0.01 0.02 -0.01 0.01 0.02 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.02 0.00 -0.01 -0.05 0.01 -0.02 -0.02 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.01 -0.02 -0.00 -0.00 0.00 -0.15 0.19 0.11 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.13 -0.29 -0.15 -0.00 -0.00 0.00 0.02 -0.01 0.01 0.01 -0.01 0.00 0.02 0.02 -0.03 -0.03 -0.02 0.00 0.01 0.02 -0.01 -0.02 -0.01 0.02 -0.05 0.03 0.01 -0.00 -0.09 -0.11 0.05 0.09 0.12 -0.04 0.00 0.01 -0.03 0.03 0.01 -0.00 0.06 0.03 0.03 0.02 0.04 -0.01 -0.04 -0.04 0.03 0.00 0.04 0.02 0.02 0.01 0.08 -0.02 -0.05 -0.02 0.03 0.03 -0.41 -0.05 -0.23 -0.01 0.02 -0.01 -0.01 0.03 -0.00 0.02 -0.03 0.00 0.02 -0.02 0.00 -0.15 -0.38 -0.24 -0.00 0.00 -0.00 -0.01 -0.03 -0.03 0.00 -0.01 0.01 -0.02 0.01 -0.00 0.01 0.00 0.00 0.00 0.05 0.06 -0.13 -0.07 0.01 -0.06 -0.08 0.05 0.15 0.05 -0.02 -0.03 0.10 -0.06 0.04 -0.02 0.02 0.05 -0.01 -0.04 0.00 0.04 -0.04 0.01 -0.01 -0.02 -0.01 0.05 0.03 0.02 -0.02 -0.00 -0.01 0.01 -0.00 0.01 -0.03 0.01 0.01 -0.03 0.01 -0.03 0.04 0.01 -0.03 0.03 -0.02 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.25 -0.04 0.04 -0.05 -0.17 0.17 0.21 -0.09 0.09 0.16 0.00 -0.00 -0.07 0.02 -0.05 -0.24 0.10 -0.10 0.31 -0.14 0.08 -0.05 0.03 0.05 0.01 0.03 -0.16 0.06 -0.08 0.05 0.07 0.13 0.01 -0.02 0.02 -0.00 -0.00 0.00 0.02 -0.00 -0.00 0.02 -0.04 -0.05 -0.05 -0.14 -0.06 0.06 -0.20 -0.00 0.15 0.15 -0.13 -0.11 -0.03 -0.02 0.00 -0.12 0.20 -0.03 -0.11 0.19 -0.04 0.10 -0.25 0.06 0.13 -0.25 0.04 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.04 0.01 0.00 0.02 0.01 0.01 -0.03 0.02 -0.00 -0.06 0.04 -0.04 -0.05 0.02 -0.00 0.00 -0.01 -0.03 0.03 -0.01 0.04 0.06 -0.04 -0.02 0.06 -0.03 0.01 0.03 -0.02 -0.01 0.06 -0.03 0.04 -0.05 0.05 0.03 0.02 -0.01 0.00 -0.02 0.01 0.00 -0.02 0.04 -0.01 -0.03 0.05 -0.01 0.02 -0.04 0.01 0.02 -0.05 0.01 0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.12 0.03 -0.00 -0.04 0.05 -0.04 -0.07 -0.03 0.07 0.07 0.07 -0.01 -0.00 -0.07 0.05 0.07 0.01 -0.03 0.08 -0.13 -0.16 -0.12 0.03 0.17 -0.01 0.03 -0.21 0.05 -0.02 -0.02 0.01 -0.02 -0.00 0.00 -0.06 -0.02 -0.16 -0.04 -0.17 0.11 0.31 0.30 -0.13 0.05 -0.16 -0.17 0.01 0.12 -0.09 -0.02 0.10 0.08 -0.07 -0.02 -0.04 -0.02 -0.02 0.14 -0.25 0.06 0.15 -0.29 0.05 -0.13 0.22 -0.04 -0.17 0.28 -0.06 0.04 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.02 0.01 0.05 -0.04 0.01 0.00 -0.00 -0.08 -0.01 -0.01 0.05 -0.03 0.02 0.03 -0.03 -0.05 -0.01 0.00 0.01 -0.00 -0.02 0.02 0.06 -0.02 0.06 -0.05 0.03 0.00 -0.03 0.03 -0.00 0.00 -0.00 0.00 0.03 -0.05 0.01 0.04 -0.07 0.01 -0.02 0.04 -0.02 -0.03 0.06 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.04 0.04 -0.05 0.02 0.04 -0.06 -0.10 0.01 -0.01 -0.06 0.01 0.00 0.09 -0.03 0.02 0.14 -0.03 0.02 -0.05 -0.08 -0.22 0.01 0.00 0.00 0.00 0.01 0.01 -0.01 0.03 -0.02 0.02 -0.08 -0.02 0.01 -0.01 0.00 -0.14 -0.04 -0.18 0.11 0.31 0.28 -0.09 0.11 -0.10 -0.15 0.06 0.15 0.04 -0.05 0.02 0.04 -0.02 0.04 0.00 0.00 -0.00 -0.16 0.30 -0.07 -0.20 0.37 -0.07 0.14 -0.22 0.04 0.18 -0.32 0.07 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.02 0.00 -0.01 -0.07 0.02 0.00 0.02 0.00 0.01 -0.07 0.03 -0.03 -0.03 0.08 -0.01 -0.06 0.03 -0.00 -0.02 -0.03 -0.06 0.05 -0.01 0.06 0.02 0.05 0.08 0.08 -0.05 0.03 0.04 -0.05 0.02 -0.04 -0.03 -0.07 0.08 -0.04 0.04 -0.01 0.03 -0.00 -0.01 0.01 0.00 0.01 -0.02 0.00 0.02 -0.03 -0.00 -0.01 0.01 0.00 -0.02 0.02 -0.01 0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.06 -0.00 0.11 -0.02 0.10 -0.13 -0.19 -0.02 0.09 0.12 0.14 -0.01 -0.03 -0.12 0.08 0.18 0.02 -0.07 -0.09 0.15 0.16 -0.16 0.05 0.25 -0.03 0.02 -0.28 0.09 -0.00 -0.05 0.06 -0.11 -0.02 0.02 -0.17 -0.08 0.02 -0.01 0.03 -0.07 -0.14 -0.13 -0.01 -0.11 -0.03 0.33 -0.12 -0.32 -0.17 0.15 -0.01 -0.15 0.08 -0.05 -0.03 -0.02 -0.02 -0.05 0.09 -0.02 -0.10 0.17 -0.05 0.02 -0.04 0.01 0.06 -0.14 0.03 0.07 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -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 0.05 -0.09 0.02 -0.04 0.07 -0.02 -0.04 0.07 -0.02 0.04 -0.06 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.02 0.00 -0.00 0.02 -0.00 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.02 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.01 -0.03 -0.01 0.01 -0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 -0.29 0.52 -0.11 0.22 -0.40 0.08 0.22 -0.41 0.08 -0.19 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.04 0.03 0.01 0.01 -0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.03 -0.05 -0.07 0.06 -0.01 0.10 -0.03 0.05 -0.03 0.12 -0.07 -0.03 -0.12 0.05 0.04 -0.06 0.01 -0.00 0.01 -0.02 0.03 0.04 -0.03 -0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.09 0.00 0.02 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.14 -0.11 0.18 0.04 0.17 -0.24 -0.10 0.00 0.10 0.31 0.08 0.06 -0.41 -0.15 0.08 -0.02 0.10 -0.17 -0.01 -0.02 -0.01 -0.03 0.02 0.07 -0.01 0.02 -0.06 0.09 -0.02 -0.04 0.03 -0.06 -0.01 0.02 -0.09 -0.03 0.00 0.01 -0.00 -0.01 0.01 0.01 0.01 0.03 0.02 -0.22 0.16 0.28 0.34 -0.19 -0.10 0.16 -0.04 0.08 0.01 0.00 -0.00 -0.04 0.07 -0.01 -0.02 0.02 -0.01 0.01 -0.04 0.02 -0.01 -0.02 0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 0.02 0.02 0.01 0.01 -0.05 0.02 0.00 0.00 -0.01 -0.01 -0.03 -0.07 -0.00 -0.10 -0.09 0.12 0.08 -0.03 -0.04 -0.05 0.17 -0.15 0.12 -0.10 0.07 -0.03 -0.01 0.03 0.03 0.01 -0.03 -0.05 0.04 0.04 -0.01 0.02 -0.02 -0.00 0.01 -0.06 -0.02 -0.01 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.00 -0.03 0.01 0.01 0.02 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.10 -0.13 0.17 0.05 0.05 -0.13 -0.15 0.24 -0.14 -0.07 0.39 -0.25 0.15 -0.05 0.06 0.02 -0.10 0.09 0.27 -0.09 0.20 0.02 0.05 -0.00 0.03 0.03 -0.07 -0.12 0.11 -0.00 -0.10 -0.03 -0.00 0.00 -0.00 0.02 0.06 0.04 0.11 -0.06 -0.14 -0.07 0.01 -0.07 0.03 -0.19 0.05 0.20 0.17 -0.13 -0.02 0.18 -0.09 0.01 0.04 -0.00 0.02 0.01 -0.01 0.01 0.01 -0.03 -0.01 0.02 0.01 -0.03 -0.00 0.02 0.03 0.06 0.01 0.01 -0.02 -0.01 0.00 0.00 0.02 0.01 0.04 0.00 0.01 -0.14 0.05 0.01 0.03 -0.01 -0.00 -0.03 -0.04 -0.01 0.00 -0.02 -0.01 0.02 0.01 0.03 -0.01 0.02 0.02 0.01 -0.02 -0.03 0.00 -0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.01 -0.02 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.02 0.02 -0.02 0.09 -0.00 0.01 -0.09 -0.10 -0.23 -0.04 0.03 0.28 -0.01 0.03 0.17 -0.03 -0.05 -0.15 -0.02 -0.03 -0.02 0.16 0.08 -0.04 0.08 0.03 -0.09 0.01 0.02 0.02 0.02 0.07 -0.08 -0.04 -0.09 0.04 -0.04 0.07 -0.03 0.03 -0.04 0.07 0.03 -0.01 0.01 0.02 0.03 -0.02 -0.03 -0.07 -0.02 -0.11 -0.04 0.05 0.02 0.03 0.01 0.00 0.01 0.01 0.01 0.01 0.02 -0.01 -0.02 -0.01 0.00 -0.01 0.01 -0.02 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.00 0.12 0.03 0.03 0.07 -0.03 -0.39 0.16 0.16 0.36 0.19 0.15 0.24 0.15 0.04 -0.33 0.15 0.01 0.03 -0.01 -0.00 0.00 -0.00 -0.02 -0.01 -0.08 -0.00 -0.02 0.31 -0.12 -0.02 -0.06 0.03 0.01 0.04 0.02 0.02 -0.03 0.03 0.04 -0.06 -0.04 -0.04 -0.00 -0.00 -0.08 0.05 0.03 0.06 -0.01 0.02 0.02 0.02 0.03 0.03 -0.00 0.01 0.03 -0.00 -0.02 -0.01 0.01 -0.01 -0.02 0.02 0.01 0.01 -0.19 -0.00 -0.03 -0.04 -0.04 -0.11 -0.02 0.01 0.09 0.00 0.01 0.06 -0.02 -0.03 -0.07 0.03 0.08 0.05 0.06 0.03 -0.01 -0.16 -0.09 0.25 -0.06 -0.00 -0.09 -0.13 -0.09 0.14 0.10 0.27 -0.11 0.14 -0.17 0.07 0.02 0.07 -0.14 -0.03 0.03 0.02 -0.04 -0.04 0.04 0.11 0.20 0.04 0.06 0.08 -0.05 -0.07 -0.08 -0.02 -0.01 -0.01 0.00 -0.03 -0.02 -0.05 0.01 0.03 0.01 -0.02 0.01 -0.02 0.01 0.01 0.01 0.06 -0.02 -0.03 0.02 0.00 0.01 -0.29 -0.08 -0.14 0.03 -0.03 -0.17 0.07 0.05 0.13 0.11 0.09 0.10 0.02 0.00 -0.12 -0.35 -0.03 -0.06 -0.00 -0.00 -0.00 -0.01 -0.07 -0.05 0.01 -0.02 0.01 -0.08 0.04 0.00 0.02 -0.00 0.00 0.08 0.18 0.07 0.08 -0.01 0.01 -0.02 -0.04 -0.09 -0.01 -0.04 -0.02 -0.01 0.03 0.05 -0.01 0.01 -0.02 -0.06 -0.03 -0.00 0.00 0.03 0.08 -0.01 -0.00 0.02 -0.02 -0.01 -0.02 0.00 0.01 0.03 0.07 0.00 0.01 -0.01 -0.02 -0.03 -0.00 -0.00 -0.02 0.01 0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.02 -0.01 0.01 0.01 0.01 -0.16 -0.15 0.29 -0.03 -0.14 0.06 0.01 -0.21 0.18 -0.06 0.33 -0.21 0.33 -0.14 0.03 -0.17 0.06 -0.12 -0.12 0.03 -0.11 -0.03 -0.14 -0.07 -0.09 -0.18 0.11 0.15 0.19 -0.12 -0.19 -0.15 -0.01 -0.01 -0.02 -0.03 -0.01 -0.04 -0.07 0.03 0.04 -0.02 0.05 0.09 0.06 -0.03 0.05 0.06 0.09 -0.03 -0.05 -0.02 0.03 0.05 0.12 0.06 0.06 -0.02 0.01 -0.04 0.01 -0.01 -0.01 0.08 0.04 0.02 -0.07 -0.02 0.03 0.09 0.01 0.02 -0.00 -0.00 -0.00 -0.02 -0.03 -0.02 -0.00 -0.01 -0.02 0.04 -0.01 -0.00 -0.00 0.01 0.01 0.05 0.12 -0.01 -0.05 -0.03 -0.03 0.12 0.18 -0.13 0.06 0.03 0.06 -0.14 -0.14 0.04 0.02 -0.08 -0.03 0.02 -0.06 0.07 0.03 -0.08 0.06 0.01 0.05 0.00 -0.01 0.04 0.04 -0.04 0.05 0.00 -0.06 0.00 -0.01 0.00 -0.03 -0.02 0.01 -0.02 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 0.00 -0.24 0.19 -0.21 0.09 0.16 -0.10 0.12 0.15 -0.15 -0.12 -0.04 -0.05 -0.16 0.05 0.03 -0.14 -0.17 0.19 0.25 -0.15 0.08 -0.11 -0.04 0.18 -0.06 -0.05 -0.09 0.01 0.09 -0.09 -0.19 -0.16 0.02 -0.01 -0.07 -0.04 0.12 0.09 0.19 -0.06 -0.13 -0.06 0.04 -0.07 0.06 -0.06 -0.07 -0.01 -0.19 0.04 0.12 0.04 -0.06 -0.07 -0.08 -0.02 -0.04 -0.06 0.10 -0.06 -0.02 0.08 -0.00 0.07 0.02 0.01 -0.01 -0.01 0.01 -0.05 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.02 -0.02 -0.02 0.01 -0.00 0.00 -0.00 0.01 0.01 -0.04 0.11 -0.02 0.12 -0.07 0.01 -0.11 0.06 0.08 -0.06 0.03 0.03 0.06 0.00 -0.06 0.00 -0.03 0.02 0.05 -0.03 0.03 0.05 -0.08 -0.04 -0.03 0.03 -0.01 -0.04 0.02 -0.05 0.01 0.01 -0.03 -0.07 0.00 -0.01 0.02 0.01 0.02 0.01 0.00 0.01 -0.02 -0.00 0.03 0.00 -0.00 -0.01 0.02 0.01 0.01 -0.03 -0.02 -0.01 0.20 -0.07 -0.02 -0.20 -0.04 0.26 0.05 0.07 -0.12 -0.22 0.11 -0.13 0.28 0.16 -0.10 0.16 -0.02 0.08 0.12 -0.07 0.06 -0.07 0.10 0.18 -0.08 -0.10 -0.15 -0.02 -0.15 0.04 0.21 0.01 -0.01 0.01 -0.18 -0.11 0.10 0.01 0.07 -0.06 -0.14 -0.12 0.09 -0.01 0.11 -0.22 0.09 0.22 0.17 -0.13 -0.03 0.12 -0.04 0.06 -0.11 -0.04 -0.05 0.04 0.04 -0.01 -0.02 0.02 0.00 -0.05 -0.03 0.02 0.07 0.02 -0.07 -0.01 0.01 -0.00 -0.03 -0.01 0.01 -0.00 0.01 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 0.01 -0.04 0.04 -0.03 0.02 -0.01 -0.01 0.04 -0.03 0.02 -0.01 -0.01 0.02 -0.01 0.01 -0.02 -0.00 0.01 0.01 0.03 -0.02 0.02 0.01 0.03 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.03 -0.00 -0.01 -0.08 -0.04 -0.01 -0.07 -0.03 0.05 0.02 -0.02 -0.13 0.03 0.04 0.12 0.00 0.01 0.00 0.27 0.14 -0.07 0.08 -0.05 0.01 0.06 -0.08 0.08 0.04 -0.04 0.01 -0.05 -0.00 -0.01 0.00 0.02 -0.02 -0.08 0.00 0.02 -0.03 0.02 0.00 -0.02 0.08 0.10 -0.04 -0.05 -0.09 -0.02 0.03 0.02 0.02 0.02 -0.01 0.02 -0.14 -0.08 -0.02 -0.02 -0.04 0.00 0.02 0.02 -0.01 0.01 -0.01 -0.02 0.02 0.03 0.05 -0.02 -0.02 0.02 -0.00 0.01 -0.08 -0.04 -0.08 -0.30 -0.14 0.18 -0.31 -0.18 -0.03 -0.30 -0.22 -0.27 -0.25 -0.06 0.41 -0.02 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.02 0.01 0.04 -0.01 -0.03 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.09 0.06 -0.08 0.01 -0.02 -0.03 0.18 -0.09 0.01 -0.01 -0.01 0.04 -0.03 0.00 -0.03 -0.02 0.06 0.04 0.06 -0.04 0.05 -0.07 0.09 0.03 0.01 -0.04 -0.01 0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.08 -0.00 -0.01 0.01 0.01 -0.01 0.02 0.01 -0.02 0.01 0.01 0.02 -0.01 -0.01 -0.03 0.02 0.01 0.01 -0.07 -0.04 0.02 0.18 -0.14 0.05 0.30 -0.24 0.15 0.11 -0.11 0.05 -0.09 -0.04 -0.01 -0.05 0.01 -0.02 -0.29 -0.02 0.05 -0.13 0.09 -0.01 -0.02 0.21 0.22 -0.09 -0.12 -0.18 -0.14 0.13 0.03 -0.11 0.05 0.02 0.04 -0.32 -0.17 -0.10 -0.06 -0.13 0.03 0.12 0.11 -0.06 0.02 -0.08 0.02 0.02 0.01 0.08 -0.02 -0.05 0.02 0.00 0.01 -0.14 -0.06 -0.06 0.07 0.01 -0.05 0.13 0.05 0.02 0.14 0.09 0.08 0.05 0.01 -0.10 0.02 0.01 0.01 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.06 -0.00 -0.02 -0.07 -0.03 -0.05 -0.01 0.11 -0.01 0.04 0.04 0.02 -0.04 -0.06 -0.01 -0.07 0.13 0.13 -0.03 -0.01 0.01 0.04 -0.06 -0.02 0.03 -0.11 -0.02 0.05 -0.02 -0.07 -0.01 0.01 -0.03 0.02 0.00 0.01 0.02 0.01 0.01 -0.01 -0.01 0.02 -0.02 -0.01 0.01 0.02 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.02 0.05 -0.18 0.09 -0.19 0.08 0.13 0.18 -0.08 0.04 -0.11 0.06 -0.10 0.19 0.10 -0.05 -0.19 -0.09 0.13 -0.13 0.20 0.19 -0.02 -0.09 -0.03 0.02 0.03 0.06 -0.09 -0.05 0.02 0.07 -0.02 0.00 -0.03 0.25 0.13 -0.24 -0.09 -0.22 0.08 0.21 0.19 -0.19 -0.02 -0.24 0.02 0.02 0.01 0.15 -0.07 -0.07 0.14 -0.06 -0.04 0.05 0.03 0.02 0.05 0.05 -0.04 -0.09 -0.02 -0.01 -0.12 -0.07 -0.02 0.09 0.04 -0.06 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.04 0.00 -0.02 -0.02 -0.03 0.03 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.02 0.03 0.04 0.01 0.01 -0.01 0.01 -0.02 -0.02 0.01 -0.02 -0.01 0.01 0.00 -0.02 0.00 0.02 0.06 -0.01 -0.00 -0.00 -0.06 -0.04 -0.02 0.06 0.02 -0.05 0.06 0.02 -0.05 -0.06 -0.04 -0.02 -0.00 0.00 0.00 0.00 0.01 0.04 0.11 -0.01 -0.08 0.06 -0.03 0.04 0.01 0.07 -0.07 -0.02 -0.05 0.02 -0.04 0.04 -0.01 0.11 -0.01 0.02 -0.00 0.04 0.07 0.01 0.03 -0.00 -0.00 -0.01 -0.01 0.21 -0.08 -0.04 -0.12 0.05 0.03 -0.01 0.14 0.07 -0.04 -0.01 -0.03 0.01 0.02 0.02 -0.04 -0.02 -0.05 -0.02 0.01 0.03 0.05 -0.03 -0.01 0.05 -0.02 -0.01 -0.03 -0.03 -0.01 -0.33 -0.13 0.21 0.36 0.21 0.06 0.40 0.23 0.08 -0.36 -0.15 0.25 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.02 -0.04 -0.02 0.00 -0.01 -0.01 -0.14 0.01 -0.02 -0.07 -0.03 0.09 0.01 -0.06 0.03 -0.01 0.03 -0.02 0.03 0.02 0.00 -0.01 -0.01 -0.01 0.03 0.05 -0.07 0.04 0.05 -0.02 0.01 -0.02 0.01 -0.01 -0.02 0.03 -0.02 -0.03 0.03 -0.00 0.01 0.00 -0.11 0.07 0.02 0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.17 -0.09 -0.02 0.01 0.00 -0.00 0.05 -0.09 0.06 -0.03 0.06 -0.04 0.05 0.05 -0.05 -0.00 0.04 -0.03 -0.03 0.04 -0.02 -0.03 -0.02 0.02 -0.07 0.06 -0.15 0.08 0.20 0.02 -0.01 -0.04 -0.03 0.04 0.00 -0.02 -0.07 -0.02 0.02 -0.01 0.15 0.07 -0.03 -0.06 -0.11 0.06 0.06 -0.03 0.04 0.12 0.05 0.11 0.02 -0.06 0.01 0.07 -0.06 -0.16 0.10 0.07 0.13 0.36 0.21 0.01 0.02 -0.02 -0.05 -0.02 -0.01 -0.04 -0.02 -0.01 0.01 0.01 -0.00 0.64 0.03 0.12 0.00 0.00 0.00 0.01 -0.02 -0.01 0.05 0.00 0.01 -0.02 0.01 0.00 0.08 0.01 0.02 -0.09 -0.04 0.12 0.01 -0.07 0.04 -0.00 0.05 -0.03 0.04 0.03 0.00 -0.01 -0.02 -0.02 0.05 0.06 -0.10 0.05 0.02 -0.05 0.02 -0.03 0.01 -0.02 -0.02 0.04 -0.03 -0.05 0.04 -0.01 0.01 -0.00 -0.00 -0.06 -0.04 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.10 0.07 0.02 -0.01 -0.00 -0.00 0.05 -0.14 0.10 -0.05 0.09 -0.05 0.08 0.05 -0.05 -0.01 0.07 -0.06 -0.03 0.06 -0.03 -0.07 -0.03 0.04 -0.09 0.07 -0.20 0.09 0.21 0.01 -0.04 -0.13 -0.10 0.04 0.00 -0.03 -0.07 -0.03 0.02 -0.01 0.18 0.09 -0.03 -0.08 -0.15 0.07 0.08 -0.04 0.06 0.16 0.07 0.15 0.04 -0.08 0.02 0.09 -0.09 -0.23 0.14 0.11 -0.28 -0.38 -0.25 0.05 0.04 -0.05 -0.05 -0.02 -0.02 -0.04 -0.02 -0.01 0.04 0.02 -0.03 -0.36 0.01 -0.06 -0.00 0.00 0.00 0.01 -0.03 -0.01 0.03 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.01 0.01 -0.02 0.02 0.08 0.02 -0.01 -0.06 -0.02 -0.03 -0.03 -0.02 -0.01 0.01 0.01 0.01 0.02 -0.05 -0.01 0.07 0.01 0.02 -0.02 -0.01 0.03 0.04 0.02 -0.01 -0.02 0.02 0.03 -0.04 0.00 0.01 0.03 -0.03 -0.00 -0.01 0.03 0.01 -0.03 -0.03 -0.02 -0.01 -0.02 -0.01 0.00 0.02 0.01 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.18 0.10 -0.24 0.23 -0.11 -0.05 -0.09 0.14 -0.12 0.03 -0.14 0.10 -0.16 -0.04 0.04 0.25 0.03 -0.07 0.02 0.01 0.16 0.05 0.10 -0.01 -0.05 -0.12 -0.00 0.36 0.05 -0.11 -0.29 -0.03 0.04 -0.03 0.22 0.12 -0.03 0.03 0.04 -0.02 -0.02 0.04 -0.07 -0.09 -0.08 -0.09 -0.01 0.05 0.03 -0.07 0.03 0.16 -0.09 -0.06 -0.08 -0.06 -0.04 0.19 0.07 -0.18 -0.21 -0.13 -0.07 -0.13 -0.08 -0.03 0.11 0.05 -0.09 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.05 0.02 0.01 0.02 -0.01 -0.00 0.00 -0.02 -0.01 0.03 0.04 -0.03 -0.06 -0.01 -0.05 -0.01 -0.01 0.01 -0.01 0.03 0.01 0.02 -0.01 0.01 0.16 0.07 0.02 -0.00 -0.02 0.01 -0.00 0.01 0.01 -0.09 -0.05 0.02 -0.08 -0.06 -0.02 -0.01 -0.00 0.02 0.04 0.01 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.02 0.01 -0.08 0.13 -0.07 0.01 0.02 0.08 -0.07 0.02 -0.19 0.13 -0.19 -0.01 0.03 0.10 -0.01 0.01 0.29 0.08 0.18 -0.13 -0.22 0.01 0.07 0.15 -0.03 0.20 -0.00 -0.05 -0.12 0.01 0.02 0.01 -0.11 -0.06 0.01 -0.19 -0.26 0.04 -0.01 -0.17 0.13 0.17 0.16 0.01 0.19 0.12 0.25 -0.04 -0.16 -0.13 0.14 0.26 0.12 0.09 0.07 0.06 0.02 -0.06 -0.05 -0.04 -0.02 -0.01 -0.01 -0.01 0.03 0.01 -0.02 -0.07 -0.03 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 0.01 -0.04 0.04 0.03 0.02 -0.04 -0.03 -0.01 -0.04 -0.01 0.03 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.02 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 0.36 0.13 -0.33 0.41 0.25 0.15 -0.39 -0.25 -0.15 -0.35 -0.13 0.32 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.01 0.08 -0.06 -0.04 -0.04 0.01 0.00 0.01 0.03 0.02 0.05 -0.04 -0.01 -0.03 0.10 -0.05 0.02 -0.01 -0.03 -0.01 -0.04 -0.04 -0.02 0.01 0.03 0.09 -0.01 0.06 -0.03 0.03 0.03 -0.00 -0.01 -0.00 -0.05 -0.01 -0.00 -0.04 -0.01 -0.03 0.01 0.00 -0.03 -0.07 -0.01 -0.02 -0.01 0.00 0.02 0.01 0.01 0.01 0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 0.02 0.01 -0.00 -0.00 -0.01 -0.07 0.17 -0.12 -0.15 0.06 -0.03 -0.07 -0.13 0.13 0.11 -0.08 0.08 0.21 -0.07 0.02 -0.15 0.02 -0.03 0.22 -0.01 0.20 0.22 0.30 -0.04 -0.15 -0.26 0.09 -0.27 0.03 0.06 0.14 -0.02 -0.03 -0.03 0.26 0.15 0.06 -0.06 -0.05 -0.01 -0.08 -0.15 0.06 0.03 0.08 -0.07 0.10 0.11 0.14 -0.08 -0.05 0.03 0.02 0.12 -0.17 -0.12 -0.10 -0.07 -0.02 0.08 0.05 0.03 0.02 0.00 0.00 0.01 -0.02 -0.01 0.02 0.10 0.05 0.04 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.05 -0.12 -0.08 -0.03 0.04 0.02 0.05 0.01 0.02 0.17 0.08 -0.13 -0.04 -0.12 0.06 -0.07 -0.05 -0.00 -0.01 0.08 -0.00 0.05 0.01 0.04 -0.05 0.06 -0.07 -0.05 0.03 0.09 -0.01 0.02 -0.00 0.03 -0.02 0.02 0.02 -0.02 0.03 -0.01 -0.03 -0.01 -0.08 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.02 0.01 0.00 -0.00 -0.01 -0.08 -0.10 0.05 -0.03 0.00 -0.09 -0.07 0.33 -0.25 0.08 -0.29 0.22 -0.31 -0.07 0.09 0.25 0.04 -0.07 -0.07 0.05 -0.10 0.12 0.11 0.00 -0.16 -0.24 0.13 0.01 -0.01 0.01 0.23 -0.03 -0.06 -0.01 -0.04 -0.01 -0.09 -0.01 -0.06 0.04 0.09 0.10 -0.05 0.04 -0.06 0.12 -0.04 -0.11 -0.07 0.09 -0.02 -0.10 0.03 -0.04 0.02 0.11 0.06 -0.01 -0.01 0.01 0.05 0.02 0.02 0.02 0.01 0.00 0.01 0.01 -0.00 -0.11 -0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.01 0.01 0.01 0.00 0.01 -0.02 -0.01 -0.01 0.04 0.05 0.01 -0.04 -0.02 -0.00 -0.04 -0.04 -0.00 0.00 0.01 0.01 0.00 0.01 -0.01 0.02 0.00 0.02 0.01 -0.01 -0.10 -0.06 0.04 0.01 -0.01 0.00 0.00 0.00 -0.00 0.25 0.13 -0.08 0.00 0.00 0.00 0.04 0.02 0.00 0.05 0.03 -0.00 -0.06 -0.02 0.08 -0.07 -0.05 -0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.00 -0.07 0.07 0.03 -0.17 -0.05 0.15 -0.12 0.02 -0.07 0.05 -0.07 -0.03 0.02 0.09 0.01 -0.02 -0.02 0.04 0.04 -0.07 -0.09 0.01 0.02 0.03 -0.02 -0.55 0.03 0.11 -0.14 -0.10 0.02 0.01 -0.06 -0.04 -0.03 -0.01 -0.03 0.01 0.02 0.03 -0.01 0.00 -0.02 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.06 0.07 0.06 -0.27 -0.08 0.30 -0.19 -0.13 -0.10 -0.22 -0.12 0.02 -0.24 -0.11 0.10 -0.09 -0.03 -0.03 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.07 0.06 0.01 -0.05 -0.03 -0.05 0.03 0.01 0.00 0.07 0.08 0.02 -0.05 -0.03 -0.00 -0.06 -0.05 -0.00 0.00 0.02 0.00 0.01 0.01 -0.01 0.02 0.02 0.00 -0.03 -0.05 0.03 0.03 0.01 0.00 -0.02 0.00 0.00 0.00 -0.01 -0.06 -0.06 -0.04 0.04 -0.01 0.00 -0.02 -0.00 0.03 0.01 0.01 0.02 0.03 0.02 -0.01 0.00 0.01 0.03 0.01 -0.00 0.00 -0.01 -0.01 -0.03 -0.03 0.03 -0.10 -0.08 0.17 -0.31 -0.03 0.15 -0.13 0.00 -0.09 0.06 -0.18 -0.04 0.03 0.14 0.03 -0.05 -0.02 0.07 0.10 -0.12 -0.16 -0.02 -0.01 -0.09 -0.00 -0.31 0.12 0.05 0.40 -0.07 -0.10 0.01 -0.10 -0.06 -0.05 -0.03 -0.06 0.01 0.03 0.04 -0.02 0.00 -0.02 -0.01 0.01 0.01 0.02 -0.02 -0.01 0.04 -0.02 -0.01 -0.20 -0.28 -0.19 -0.00 -0.01 0.02 0.16 0.10 0.08 0.04 0.02 -0.00 0.06 0.03 -0.02 0.30 0.07 0.09 0.00 0.00 -0.00 -0.00 0.01 0.01 0.03 0.08 0.05 -0.01 -0.06 -0.04 -0.07 0.05 0.02 0.07 -0.01 -0.11 -0.03 -0.01 0.04 -0.02 0.03 0.04 -0.00 0.02 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.03 -0.05 -0.07 0.00 -0.04 -0.02 -0.01 0.00 0.01 0.01 0.00 -0.01 0.02 0.07 0.05 0.02 0.04 -0.02 -0.00 0.02 0.01 -0.02 -0.00 -0.00 -0.02 -0.03 -0.01 0.01 -0.01 -0.01 -0.03 0.02 0.01 0.01 0.00 0.01 0.02 -0.02 -0.05 0.09 0.06 -0.13 0.21 -0.01 0.01 0.00 0.03 -0.05 0.04 0.05 -0.00 0.01 -0.01 -0.01 0.01 0.01 -0.03 -0.08 0.05 0.04 -0.02 -0.06 -0.10 0.02 0.20 -0.09 -0.03 -0.24 0.03 0.05 -0.00 0.02 0.02 0.00 0.01 0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 0.04 -0.02 -0.04 -0.03 0.04 -0.00 -0.06 0.02 -0.00 -0.33 -0.43 -0.30 -0.01 -0.00 0.01 -0.13 -0.09 -0.07 -0.05 -0.02 0.01 -0.06 -0.03 0.02 0.48 0.13 0.16 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.03 -0.02 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.02 -0.02 -0.01 -0.01 0.04 -0.01 -0.02 -0.03 0.02 0.02 0.01 0.07 -0.01 -0.04 -0.07 0.01 -0.00 0.01 -0.02 0.02 0.01 -0.03 0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.21 0.02 0.10 0.15 0.08 -0.23 0.25 -0.24 0.16 -0.29 0.36 -0.31 -0.34 0.12 -0.05 0.46 -0.05 0.04 0.02 0.01 0.04 0.05 0.04 -0.03 -0.01 -0.01 0.05 0.06 -0.02 -0.00 0.08 -0.02 -0.03 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.02 -0.01 0.01 0.02 0.01 -0.02 0.01 0.03 0.01 -0.01 -0.00 0.01 0.00 0.01 -0.04 -0.03 -0.02 -0.00 -0.01 0.01 -0.02 -0.02 -0.01 -0.01 -0.01 0.00 -0.02 -0.01 0.01 0.07 0.04 0.03 0.00 0.00 -0.00 -0.02 0.02 -0.01 -0.01 -0.09 -0.04 -0.03 -0.07 -0.05 0.07 0.01 0.01 0.00 -0.01 0.06 0.03 0.00 -0.04 0.00 0.02 0.00 -0.04 0.06 -0.02 0.05 -0.02 -0.00 0.01 -0.02 0.03 0.01 0.07 0.01 0.03 -0.02 -0.02 -0.00 0.01 -0.02 -0.00 0.02 -0.02 -0.01 0.02 0.02 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.04 0.10 0.05 0.00 0.00 0.01 -0.05 -0.13 0.15 -0.19 0.16 -0.08 0.12 -0.20 0.15 0.07 -0.26 0.20 -0.22 -0.01 0.03 -0.24 -0.04 0.05 -0.16 0.03 -0.04 -0.09 -0.19 -0.03 0.08 0.14 0.08 -0.03 -0.02 -0.01 -0.25 0.07 0.07 0.03 -0.30 -0.17 0.03 0.01 0.04 -0.03 -0.00 0.02 0.03 -0.04 0.02 -0.05 0.01 0.03 0.01 -0.04 0.03 0.07 -0.03 -0.01 -0.00 0.01 0.01 0.01 0.01 -0.02 -0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.35 0.21 0.19 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.03 -0.06 -0.04 -0.03 -0.08 -0.05 0.07 -0.01 0.01 -0.02 -0.01 0.00 -0.02 -0.01 0.02 0.01 0.00 0.02 0.05 -0.07 0.01 -0.08 0.02 0.00 -0.01 0.03 -0.03 0.01 0.03 0.02 -0.02 0.02 0.01 0.01 -0.02 0.02 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 0.09 0.05 0.00 0.00 -0.00 0.01 0.14 -0.18 0.20 -0.09 0.03 -0.19 0.30 -0.23 -0.01 0.21 -0.15 0.49 0.02 -0.06 0.16 0.04 -0.05 0.14 0.02 0.11 -0.03 -0.08 -0.01 0.09 0.21 0.01 0.06 0.00 -0.01 0.16 -0.03 -0.04 0.01 -0.07 -0.04 -0.06 -0.03 -0.07 0.02 0.02 0.03 -0.02 0.03 -0.01 0.04 -0.01 -0.02 -0.01 0.04 -0.02 -0.04 0.02 -0.00 0.05 0.06 0.04 0.00 -0.01 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.31 0.20 0.17 0.00 -0.00 -0.00 -0.02 0.02 -0.01 0.03 -0.00 0.01 0.00 0.04 0.02 -0.03 0.02 0.00 0.03 -0.03 0.04 0.01 -0.01 -0.03 -0.02 0.01 0.06 0.01 0.04 -0.03 -0.08 -0.03 -0.01 0.00 -0.00 0.01 -0.00 0.02 -0.02 -0.03 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.03 -0.01 -0.01 -0.01 0.01 0.00 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.01 0.03 -0.04 -0.02 0.00 0.01 0.02 -0.16 -0.10 0.16 0.31 0.20 -0.37 0.04 -0.02 0.02 0.12 -0.22 0.16 0.52 0.07 -0.08 0.06 -0.04 0.04 -0.06 0.04 0.03 -0.01 -0.03 -0.03 -0.03 -0.09 0.05 0.17 -0.06 -0.01 0.13 -0.01 -0.03 0.03 -0.33 -0.18 -0.00 -0.01 -0.01 -0.01 0.02 0.04 0.02 -0.01 0.02 -0.01 0.01 0.01 0.00 -0.01 0.01 0.03 -0.01 -0.00 -0.05 -0.06 -0.04 0.01 -0.00 -0.01 -0.03 -0.02 -0.01 0.01 0.00 0.00 -0.02 -0.01 0.01 -0.12 -0.08 -0.07 -0.00 -0.00 0.00 0.02 -0.03 0.00 -0.04 0.03 0.00 0.01 -0.05 -0.03 0.04 -0.04 -0.02 -0.04 0.05 -0.03 -0.01 0.01 -0.01 -0.04 0.01 -0.00 -0.02 0.06 -0.03 -0.01 -0.04 -0.00 0.01 -0.02 0.02 0.01 -0.03 0.01 -0.03 0.02 0.04 -0.00 0.03 -0.01 -0.01 -0.00 0.00 0.01 -0.02 -0.04 0.00 0.03 0.02 -0.02 -0.00 0.02 0.02 0.02 0.02 0.02 0.01 0.02 -0.02 -0.01 0.02 -0.03 0.04 0.02 -0.00 -0.01 -0.04 0.21 -0.24 0.19 0.42 -0.06 -0.17 0.11 -0.16 0.13 0.07 -0.21 0.15 0.07 0.03 -0.02 -0.04 -0.05 0.04 -0.01 -0.15 -0.23 0.02 0.10 0.06 -0.01 0.00 -0.07 0.08 0.03 -0.01 0.30 -0.12 -0.09 -0.04 0.39 0.22 0.07 0.05 0.09 -0.01 -0.05 -0.06 -0.00 -0.03 -0.00 0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.01 0.00 0.02 0.07 0.10 0.07 -0.01 -0.01 0.02 -0.00 -0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 0.10 0.08 0.06 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.02 0.00 0.00 -0.02 -0.01 0.01 -0.02 -0.01 -0.01 0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -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 0.01 0.07 -0.00 0.01 0.01 0.08 0.03 -0.10 -0.11 -0.07 -0.05 -0.05 -0.04 -0.06 0.05 0.01 -0.07 -0.01 0.01 0.00 0.03 0.06 0.23 0.02 -0.01 -0.00 0.01 0.05 -0.09 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.04 -0.01 0.00 -0.07 -0.01 0.01 0.01 -0.02 -0.02 0.03 0.07 0.02 -0.02 -0.03 -0.04 -0.13 -0.01 0.05 0.20 -0.02 -0.04 -0.01 0.14 0.08 0.00 0.00 0.01 0.00 -0.01 -0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.04 0.02 -0.34 -0.13 0.28 0.39 0.23 0.13 -0.31 -0.20 -0.16 0.28 0.09 -0.29 0.03 0.02 0.02 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.03 0.08 0.03 0.02 -0.04 -0.02 0.05 -0.10 -0.05 0.01 0.01 -0.01 0.04 -0.02 -0.00 0.01 -0.02 0.04 -0.01 -0.02 0.01 0.02 0.01 -0.01 0.01 -0.01 -0.02 -0.01 -0.06 -0.01 -0.02 -0.00 -0.03 -0.00 -0.01 0.01 0.01 0.02 -0.01 0.01 0.02 0.07 -0.03 0.07 0.04 0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.04 -0.02 -0.01 0.04 0.01 -0.03 -0.05 0.02 0.00 -0.00 -0.00 -0.01 -0.33 0.11 0.00 -0.14 0.22 -0.20 -0.04 0.09 -0.08 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.16 -0.00 0.03 -0.13 0.21 0.23 0.17 0.41 0.06 -0.11 -0.23 -0.06 -0.00 -0.08 0.04 0.06 0.03 -0.01 -0.01 0.03 0.03 -0.03 -0.03 -0.05 0.03 0.02 -0.00 -0.00 0.03 0.00 -0.05 -0.01 0.03 -0.04 -0.01 0.04 0.04 -0.01 -0.02 0.05 0.18 0.10 0.15 0.05 -0.14 -0.17 -0.10 -0.06 0.20 0.12 0.08 -0.17 -0.06 0.16 0.05 0.05 0.04 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.05 0.02 0.01 -0.02 -0.01 0.03 -0.05 -0.03 0.01 -0.03 0.02 0.00 0.00 -0.02 0.02 -0.02 -0.03 0.01 0.06 -0.01 -0.09 0.01 0.03 -0.00 -0.00 0.00 -0.01 -0.03 -0.01 0.06 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.01 -0.04 -0.02 0.04 0.02 -0.01 -0.01 0.01 0.01 0.00 0.00 0.03 0.02 0.01 -0.02 -0.01 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 -0.09 -0.11 0.15 -0.17 -0.15 0.24 0.08 -0.06 0.06 0.06 -0.14 0.10 0.15 0.00 0.00 0.61 0.04 -0.09 0.01 -0.02 -0.01 0.12 0.24 0.02 -0.05 -0.10 -0.04 -0.15 0.09 -0.02 -0.34 0.08 0.10 0.01 -0.13 -0.07 0.00 0.01 0.02 -0.01 0.01 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 0.02 0.09 0.05 -0.08 -0.02 0.06 0.10 0.07 0.04 -0.10 -0.07 -0.05 0.11 0.05 -0.10 0.02 0.02 0.02 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.02 0.01 -0.02 0.01 -0.01 0.03 -0.03 -0.02 0.00 0.01 -0.00 -0.04 0.00 0.01 -0.03 0.04 0.04 0.00 0.01 0.00 0.02 -0.01 -0.03 0.01 0.02 -0.02 -0.02 -0.03 0.01 -0.00 0.02 0.10 0.00 -0.00 -0.00 0.03 0.01 -0.02 -0.04 -0.02 -0.01 -0.07 -0.04 -0.03 0.07 0.03 -0.05 0.00 -0.00 0.00 0.00 0.00 0.01 0.23 -0.10 0.02 -0.15 0.02 0.02 0.03 -0.05 0.04 0.01 -0.03 0.01 0.05 -0.01 0.00 0.27 0.02 -0.04 0.27 -0.34 -0.33 -0.04 -0.09 -0.01 -0.01 0.01 -0.02 -0.33 0.02 0.07 0.12 0.06 0.00 -0.00 0.03 0.01 -0.00 0.04 0.04 -0.03 -0.05 0.00 -0.03 -0.05 -0.04 0.10 0.02 -0.05 0.08 0.02 -0.07 -0.05 0.01 0.04 -0.00 -0.01 -0.01 0.17 0.07 -0.15 -0.16 -0.09 -0.05 0.27 0.17 0.10 -0.22 -0.08 0.22 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.02 0.01 -0.01 -0.02 -0.01 -0.03 0.02 -0.08 0.01 -0.01 0.00 0.04 -0.04 0.07 0.01 0.02 0.00 0.07 -0.02 0.08 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.04 -0.02 -0.02 0.01 -0.02 -0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -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 -0.29 -0.26 0.35 -0.03 -0.02 0.03 -0.13 0.43 -0.34 -0.07 0.05 -0.05 -0.01 -0.01 0.00 -0.02 0.02 -0.01 -0.36 -0.03 -0.37 0.05 0.06 -0.01 0.03 0.07 0.00 -0.03 0.01 0.01 -0.04 0.01 0.01 -0.01 0.07 0.05 0.08 0.01 -0.01 -0.06 -0.13 -0.08 -0.02 -0.15 0.00 -0.02 0.04 0.02 0.05 -0.08 0.02 0.08 -0.02 0.06 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 -0.01 -0.01 -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 0.02 -0.04 -0.02 0.04 0.01 0.01 0.00 0.01 -0.01 -0.03 -0.02 0.07 -0.00 -0.04 0.02 0.04 0.00 -0.03 -0.05 0.06 0.04 -0.01 -0.00 -0.01 0.04 -0.00 -0.01 0.02 0.01 -0.01 -0.01 -0.04 0.02 -0.01 -0.00 -0.04 -0.02 0.04 0.02 -0.02 -0.01 0.01 0.02 0.01 -0.00 0.04 0.02 0.01 -0.03 -0.01 0.03 -0.03 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.05 -0.05 0.10 0.21 -0.32 -0.06 0.07 -0.07 -0.05 0.11 -0.08 -0.00 0.01 -0.03 -0.28 -0.02 0.06 0.40 -0.37 -0.28 0.05 0.05 -0.03 -0.07 -0.12 -0.01 0.01 0.02 -0.03 -0.37 0.08 0.09 0.01 -0.11 -0.06 -0.06 0.03 -0.02 -0.04 -0.07 0.02 -0.05 -0.05 -0.06 0.12 0.03 -0.05 0.08 0.04 -0.10 -0.06 0.01 0.03 -0.05 0.02 0.00 -0.05 -0.01 0.03 0.05 0.04 0.01 -0.10 -0.06 -0.04 0.10 0.04 -0.09 0.04 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.02 -0.00 0.05 0.01 0.03 0.03 0.02 0.02 0.03 -0.08 -0.04 0.03 -0.04 0.04 -0.04 0.00 -0.00 0.05 0.04 -0.05 0.01 -0.01 -0.00 0.00 0.00 0.02 0.02 0.01 0.05 0.02 0.04 -0.03 -0.11 0.01 0.02 0.00 0.02 -0.02 -0.01 -0.01 -0.01 0.03 -0.01 -0.01 -0.05 0.09 0.05 -0.00 0.00 -0.01 0.01 0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.06 -0.02 -0.02 0.00 0.00 0.00 0.10 0.04 -0.10 -0.28 -0.05 0.26 -0.02 -0.01 0.02 -0.01 0.05 -0.04 -0.09 -0.01 0.03 0.02 0.01 -0.03 -0.10 -0.10 -0.27 -0.15 -0.20 -0.01 -0.10 -0.27 0.07 0.41 -0.16 -0.02 0.40 -0.15 -0.14 0.02 -0.21 -0.12 0.03 0.01 0.00 -0.04 -0.04 0.01 0.00 -0.08 0.00 0.03 0.03 -0.01 0.04 -0.02 -0.02 0.03 -0.01 0.04 -0.15 0.00 -0.03 -0.04 -0.02 0.03 -0.00 -0.01 -0.00 -0.06 -0.04 -0.02 0.01 -0.00 -0.02 0.10 0.02 0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 0.01 -0.01 -0.03 -0.03 -0.02 -0.01 0.06 0.03 -0.02 0.00 0.04 0.07 0.00 -0.04 0.06 0.00 -0.02 -0.02 0.01 0.00 0.00 0.01 0.01 -0.06 0.04 0.01 -0.01 -0.04 0.01 -0.09 0.00 0.01 0.02 -0.01 0.00 -0.01 -0.02 0.01 0.02 -0.00 -0.01 0.04 -0.08 -0.04 -0.01 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 0.01 -0.02 -0.01 0.01 0.06 0.03 0.03 -0.00 -0.00 0.00 -0.27 -0.00 0.11 -0.37 0.12 0.07 0.02 -0.01 -0.01 0.02 -0.10 0.09 -0.06 -0.03 0.02 0.01 0.01 -0.00 0.38 -0.21 -0.01 0.18 0.31 0.02 0.05 0.15 -0.07 0.37 -0.16 -0.01 0.20 -0.11 -0.09 0.01 -0.06 -0.03 -0.09 0.01 -0.03 -0.01 -0.03 0.02 -0.04 0.01 -0.05 0.08 0.02 -0.04 0.06 0.04 -0.07 -0.02 -0.02 -0.01 0.18 0.06 0.07 -0.02 -0.02 0.02 0.00 -0.01 -0.01 -0.07 -0.05 -0.02 0.02 0.01 -0.04 -0.11 -0.01 -0.03 -0.00 0.00 0.00 0.01 -0.01 0.00 0.04 -0.03 -0.00 0.03 0.04 0.03 0.00 -0.03 -0.02 -0.05 -0.02 -0.02 0.06 0.06 -0.07 0.00 0.01 -0.02 -0.00 -0.01 0.04 0.02 0.01 -0.00 -0.06 -0.02 -0.06 -0.00 0.03 0.01 -0.00 0.00 0.01 -0.00 -0.03 0.01 0.01 0.00 0.02 0.00 -0.00 0.00 -0.02 0.06 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.05 -0.03 -0.03 0.00 0.00 0.00 -0.17 -0.32 0.47 0.02 -0.09 0.11 -0.04 0.16 -0.12 -0.03 -0.08 0.05 -0.06 -0.03 0.01 -0.05 0.00 0.02 0.42 -0.04 0.38 -0.08 -0.23 -0.05 0.02 0.08 -0.02 -0.03 0.01 0.01 0.06 -0.02 -0.02 -0.01 0.13 0.07 -0.04 0.02 0.07 0.04 0.08 0.05 0.04 0.14 0.02 -0.01 -0.05 -0.03 0.00 0.04 -0.02 -0.05 -0.01 -0.07 -0.16 -0.09 -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.01 0.01 -0.01 -0.01 0.02 0.11 0.00 0.02 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.02 0.02 0.01 -0.02 -0.03 -0.02 0.00 0.01 0.01 0.04 -0.01 0.02 -0.05 0.03 -0.03 -0.00 -0.00 0.00 0.02 -0.02 0.02 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.03 -0.06 -0.08 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 -0.03 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.02 0.02 0.00 0.00 0.00 0.29 -0.17 0.08 -0.05 0.04 -0.03 -0.08 0.12 -0.06 -0.06 0.04 -0.06 -0.02 -0.00 0.00 -0.05 0.00 0.00 0.05 -0.03 0.02 -0.01 0.08 0.04 -0.08 -0.20 0.04 0.03 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.07 -0.04 0.10 0.11 0.43 0.02 0.32 0.25 0.29 0.23 0.18 -0.13 0.02 0.19 -0.23 0.02 0.07 -0.15 0.18 0.11 0.09 0.07 0.06 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.07 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.02 -0.01 0.04 -0.02 -0.02 0.02 0.04 0.03 0.00 -0.01 -0.01 0.02 -0.00 0.06 0.00 -0.02 -0.00 -0.04 0.03 -0.04 -0.01 0.00 -0.01 0.02 -0.01 0.01 -0.00 0.02 0.03 -0.07 -0.09 0.02 0.00 -0.00 0.02 -0.00 -0.02 -0.03 0.02 -0.01 -0.02 -0.00 -0.01 -0.00 -0.01 0.03 0.02 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.01 0.00 0.02 0.01 -0.01 -0.05 -0.04 -0.03 -0.00 -0.00 -0.01 -0.02 0.08 -0.11 0.18 -0.15 0.07 0.01 -0.03 0.01 0.01 -0.01 0.01 -0.09 0.02 0.01 -0.09 -0.00 -0.03 -0.03 -0.03 -0.10 0.37 0.32 -0.13 0.22 0.59 -0.11 -0.06 0.06 -0.02 0.14 -0.02 -0.02 0.02 -0.18 -0.10 0.01 0.04 0.12 -0.02 0.08 0.11 0.09 0.05 0.05 -0.04 0.04 0.09 -0.09 0.00 0.02 -0.04 0.07 0.07 -0.11 -0.08 -0.07 0.00 -0.01 0.02 0.01 0.01 0.02 0.04 0.03 0.02 -0.03 -0.01 0.04 0.10 -0.00 0.02 -0.00 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.04 0.02 -0.02 -0.04 -0.02 0.00 0.00 0.00 0.06 -0.08 0.05 -0.01 0.03 -0.02 -0.08 0.07 -0.06 0.01 -0.01 0.01 0.04 -0.01 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.03 0.02 -0.00 0.02 0.00 0.01 0.01 -0.05 0.02 0.04 -0.00 -0.01 -0.01 -0.01 -0.03 -0.02 0.02 0.01 0.00 -0.02 -0.01 0.01 -0.02 -0.01 0.00 0.02 0.01 -0.01 0.04 0.03 0.02 0.00 -0.00 -0.01 0.04 -0.07 0.08 0.37 -0.32 0.20 -0.03 0.03 -0.02 -0.04 0.04 -0.04 -0.16 0.03 0.02 -0.17 -0.01 -0.02 0.10 -0.01 0.10 0.03 0.18 0.03 -0.09 -0.27 0.08 -0.14 0.13 -0.04 0.16 0.00 0.00 0.03 -0.29 -0.17 -0.03 -0.03 -0.09 -0.02 -0.04 0.00 -0.02 -0.04 0.00 0.13 -0.05 -0.21 0.26 -0.01 -0.08 0.14 -0.19 -0.14 0.11 0.10 0.08 -0.02 0.00 0.03 0.03 0.02 0.03 0.07 0.05 0.04 -0.04 -0.01 0.06 -0.10 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.01 0.00 -0.00 -0.00 0.03 0.05 0.02 -0.06 0.02 -0.00 0.03 -0.03 0.02 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.02 -0.04 -0.04 -0.03 -0.04 0.01 -0.02 0.00 -0.01 -0.02 -0.01 -0.01 -0.07 0.05 0.06 0.00 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.44 -0.18 0.03 -0.22 0.21 -0.15 -0.04 0.04 -0.02 -0.04 0.04 -0.05 0.03 -0.01 -0.01 0.04 0.00 0.01 -0.07 0.10 0.12 0.11 0.11 -0.03 0.08 0.20 -0.02 0.10 -0.07 0.01 -0.05 -0.00 -0.01 -0.00 -0.02 -0.01 0.09 -0.00 0.09 0.02 0.11 0.04 0.08 0.05 0.08 0.16 -0.10 -0.32 0.37 -0.05 -0.08 0.21 -0.28 -0.21 -0.03 -0.02 -0.02 0.01 -0.00 -0.02 -0.02 -0.02 -0.02 -0.04 -0.02 -0.02 0.02 0.01 -0.03 0.03 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 0.01 0.04 -0.06 0.04 -0.02 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.04 -0.04 -0.02 -0.02 -0.00 -0.01 -0.00 -0.00 0.02 0.06 0.07 0.06 -0.01 -0.02 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 -0.25 0.12 -0.08 0.07 -0.05 -0.02 0.02 0.00 -0.04 0.02 -0.03 -0.03 0.00 0.00 -0.01 -0.00 0.00 0.06 0.04 0.18 0.08 0.11 -0.02 0.02 0.06 0.00 0.04 -0.02 -0.00 0.03 -0.00 -0.01 0.01 -0.13 -0.07 -0.06 -0.11 -0.39 -0.03 -0.27 -0.17 -0.20 -0.23 -0.09 -0.19 -0.06 0.18 -0.23 0.01 0.09 -0.21 0.20 0.04 0.01 0.02 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -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 -0.00 0.00 -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 -0.02 0.02 -0.03 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.04 0.15 -0.00 0.00 -0.00 -0.13 -0.07 0.01 0.12 0.06 -0.06 0.11 0.05 -0.07 -0.11 -0.07 -0.01 0.00 -0.00 0.00 0.01 0.03 0.13 -0.05 0.02 0.00 0.10 -0.11 0.06 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.04 0.00 0.01 -0.02 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.04 0.02 0.02 0.01 0.03 -0.33 0.05 0.03 0.28 0.10 0.01 0.00 -0.03 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.27 0.07 -0.38 -0.31 -0.21 -0.23 -0.21 -0.16 -0.21 0.16 0.03 -0.29 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 -0.00 0.01 -0.04 0.04 -0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.02 -0.01 -0.02 0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.02 -0.00 0.00 0.00 -0.01 -0.26 0.05 0.21 -0.24 -0.21 -0.12 -0.02 0.51 -0.03 -0.07 0.09 -0.51 0.01 -0.01 -0.01 0.03 -0.00 -0.01 -0.03 -0.03 -0.05 -0.03 -0.15 0.15 -0.08 -0.16 -0.10 -0.00 -0.00 0.00 0.21 -0.08 -0.02 0.08 0.14 -0.03 -0.05 -0.12 -0.01 -0.05 -0.00 0.07 0.03 0.09 -0.08 -0.07 -0.02 -0.12 -0.00 -0.02 -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 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.15 0.06 0.06 -0.06 -0.03 -0.03 0.02 -0.03 -0.01 -0.01 0.01 -0.02 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.01 -0.05 -0.04 -0.04 0.00 0.00 -0.00 -0.03 0.01 0.00 0.01 -0.02 0.02 -0.00 -0.00 0.00 -0.11 -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 0.04 0.03 0.03 -0.00 -0.00 -0.00 -0.06 0.02 -0.00 0.00 -0.00 -0.00 0.02 0.01 -0.03 0.03 -0.00 0.03 0.01 -0.14 0.01 0.02 -0.02 0.13 0.01 -0.03 -0.02 -0.21 -0.09 0.06 0.24 0.26 0.28 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.05 0.03 0.40 -0.14 -0.03 0.15 0.27 -0.04 -0.08 -0.24 -0.00 -0.07 0.08 0.18 0.02 0.26 -0.21 -0.09 -0.09 -0.26 0.02 0.15 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 -0.15 -0.01 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.09 -0.04 -0.04 0.04 0.02 0.02 -0.01 0.02 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 0.02 -0.02 -0.01 0.00 0.01 0.03 0.02 0.02 -0.02 -0.03 0.01 -0.03 0.01 0.00 0.02 -0.02 0.02 0.01 -0.00 -0.00 0.07 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 -0.03 -0.02 -0.02 0.00 0.00 -0.00 -0.01 0.01 -0.02 -0.01 0.00 0.00 0.02 0.00 -0.03 0.03 0.02 0.01 0.01 -0.20 0.01 0.02 -0.03 0.20 -0.01 -0.01 -0.01 0.12 0.09 -0.01 -0.13 -0.16 -0.14 0.03 0.19 -0.20 0.10 0.21 0.13 -0.01 -0.03 -0.00 0.40 -0.15 -0.06 0.13 0.26 -0.01 -0.06 -0.28 0.02 -0.10 0.05 0.19 0.04 0.26 -0.22 -0.12 -0.08 -0.29 -0.01 -0.10 -0.05 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.10 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.02 -0.02 0.01 0.02 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.04 -0.07 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.07 0.05 -0.03 -0.15 0.03 0.12 -0.14 -0.12 -0.07 0.00 0.19 -0.01 -0.03 0.03 -0.19 0.02 -0.01 -0.01 -0.10 0.02 0.07 0.08 0.05 0.13 0.08 0.41 -0.44 0.20 0.48 0.30 -0.00 0.04 0.02 -0.03 0.02 0.03 0.02 -0.02 -0.05 -0.03 0.07 -0.04 -0.00 -0.07 -0.08 0.02 -0.12 0.09 -0.00 0.05 0.08 0.00 0.02 0.01 -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.02 -0.03 0.03 0.03 0.02 0.00 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 0.01 -0.01 -0.00 0.01 -0.02 -0.05 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.05 -0.03 -0.02 -0.00 -0.00 -0.00 0.03 -0.02 0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.01 0.02 0.01 -0.00 0.05 -0.00 -0.00 0.01 -0.05 0.00 0.00 0.02 -0.33 0.34 0.37 0.25 -0.04 0.52 -0.01 -0.03 0.03 -0.03 -0.03 -0.02 -0.00 0.02 0.01 -0.17 0.05 -0.02 -0.10 -0.13 0.06 0.07 0.05 0.04 0.08 0.22 0.14 -0.10 0.23 -0.14 0.08 -0.11 -0.07 0.00 -0.05 -0.02 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.12 0.01 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.02 -0.02 -0.02 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.03 -0.01 -0.01 0.01 0.03 -0.01 -0.01 0.00 0.02 0.01 -0.01 -0.01 -0.03 0.01 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 0.02 0.02 0.01 0.00 0.00 -0.00 0.05 -0.03 0.02 -0.02 0.02 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.10 -0.01 -0.01 0.02 -0.10 -0.07 0.05 0.06 0.16 -0.18 -0.19 -0.12 0.03 -0.26 0.02 0.08 -0.09 0.04 0.09 0.06 0.00 0.03 0.01 -0.24 0.07 -0.05 -0.16 -0.19 0.12 0.12 0.04 0.08 0.17 0.42 0.23 -0.20 0.38 -0.23 0.20 -0.22 -0.10 -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 -0.06 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.02 -0.02 -0.01 -0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.03 0.02 0.00 -0.00 -0.00 -0.03 0.01 0.02 -0.04 -0.01 -0.03 -0.00 -0.03 0.00 0.00 -0.01 0.04 0.06 -0.01 0.06 -0.01 0.03 0.02 0.00 -0.01 0.02 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 0.30 -0.12 -0.03 0.15 0.21 -0.07 -0.11 -0.16 -0.05 0.37 0.32 -0.12 -0.32 -0.08 0.18 0.40 -0.05 0.44 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.07 -0.03 0.02 0.00 -0.04 0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 0.01 -0.02 0.02 -0.01 0.44 -0.07 -0.38 0.41 0.35 0.22 -0.01 0.36 -0.02 -0.05 0.06 -0.36 0.03 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.01 0.04 -0.05 0.02 0.06 0.04 -0.01 0.00 0.01 0.11 -0.04 -0.00 0.04 0.08 -0.00 -0.01 -0.06 0.01 -0.00 -0.03 -0.02 0.00 -0.03 0.02 -0.01 0.02 0.02 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.12 0.06 -0.02 -0.01 -0.01 -0.00 -0.03 0.00 0.10 -0.05 -0.05 -0.08 -0.12 -0.08 -0.08 -0.10 -0.03 0.14 -0.01 -0.00 -0.00 0.11 0.06 -0.03 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.01 -0.02 -0.03 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.34 0.14 -0.22 0.38 0.21 0.06 0.41 0.25 0.11 0.38 0.15 -0.30 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 -0.01 0.00 -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 -0.01 0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.04 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.04 -0.02 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.06 0.01 0.03 -0.03 -0.01 0.02 0.01 0.01 0.02 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.02 0.09 0.07 0.02 -0.11 -0.32 -0.29 0.02 0.51 0.33 -0.45 0.38 0.00 -0.09 -0.10 0.02 -0.12 0.08 -0.01 0.06 0.08 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.03 -0.10 -0.07 -0.11 -0.04 -0.04 -0.08 -0.12 -0.09 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 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 0.13 0.21 0.15 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.22 0.10 0.10 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.08 0.17 0.12 0.13 0.10 0.19 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.39 -0.35 -0.27 0.02 0.01 -0.01 0.02 0.01 0.00 0.02 0.01 0.01 0.02 0.01 -0.01 -0.54 -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 -0.01 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 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 0.09 0.35 0.00 -0.00 0.00 0.06 -0.02 -0.22 -0.13 -0.11 -0.18 0.13 0.11 0.20 -0.04 0.02 0.22 -0.00 -0.00 -0.00 -0.05 -0.10 -0.34 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.03 -0.23 -0.06 0.10 0.18 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 -0.01 -0.27 -0.14 0.06 0.30 0.15 -0.04 -0.29 -0.15 0.07 0.25 0.13 -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 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.22 -0.10 0.08 -0.00 0.00 0.00 0.26 0.11 -0.17 0.28 0.16 0.02 -0.22 -0.12 0.01 -0.22 -0.10 0.12 0.00 0.00 0.00 0.10 0.05 -0.04 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.03 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 -0.30 -0.09 0.34 -0.33 -0.22 -0.21 0.17 0.13 0.16 0.15 0.04 -0.25 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 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 -0.02 -0.03 0.03 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.07 0.12 -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 0.10 0.28 -0.12 0.29 -0.16 0.14 -0.36 0.08 0.38 -0.22 0.20 -0.22 0.14 0.22 0.28 -0.21 -0.32 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 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 -0.03 0.02 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.04 0.04 -0.01 -0.01 -0.01 -0.02 -0.03 -0.02 -0.02 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.11 0.20 -0.11 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.08 0.23 -0.10 0.24 -0.14 0.12 -0.33 0.07 0.35 0.26 -0.23 0.25 -0.15 -0.25 -0.32 0.21 0.31 -0.16 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.02 0.02 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.06 0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.22 -0.18 0.03 0.06 0.05 0.05 0.07 0.06 0.01 -0.01 -0.02 -0.00 -0.00 -0.01 0.00 -0.03 -0.01 0.38 0.68 -0.38 0.02 -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 0.00 -0.00 -0.07 -0.22 0.09 -0.10 0.06 -0.05 0.09 -0.02 -0.10 0.03 -0.02 0.03 -0.00 -0.00 -0.01 -0.09 -0.12 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 -0.01 -0.01 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.06 -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 0.03 0.09 0.07 -0.02 -0.06 -0.04 -0.05 -0.06 -0.05 -0.02 0.01 0.03 -0.01 -0.02 -0.12 -0.00 0.24 0.06 0.03 0.06 -0.03 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.09 -0.20 -0.25 0.10 -0.45 0.75 0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.01 0.01 -0.01 0.02 -0.00 -0.02 -0.01 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 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 -0.02 -0.04 -0.04 0.01 0.03 0.03 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.02 0.01 -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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.19 0.53 0.45 -0.18 -0.41 -0.31 -0.07 -0.09 -0.08 0.04 -0.02 -0.04 0.02 0.01 0.12 -0.00 0.06 0.01 0.11 0.20 -0.11 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.03 0.08 0.09 -0.02 0.07 -0.12 -0.00 0.00 0.00 -0.02 -0.07 0.03 -0.04 0.02 -0.02 0.05 -0.01 -0.06 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.05 -0.08 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.02 0.01 -0.00 0.01 -0.04 0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.05 0.04 0.07 0.17 0.12 -0.16 -0.22 -0.18 -0.13 0.07 0.18 -0.06 -0.07 -0.56 -0.01 0.60 0.14 0.02 0.04 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.04 0.05 -0.03 0.14 -0.22 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.03 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.02 -0.05 -0.04 -0.01 0.00 0.01 0.00 0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.42 0.35 0.24 0.56 0.42 0.01 0.02 0.02 0.07 -0.04 -0.08 -0.00 0.00 -0.01 0.01 -0.27 -0.06 0.03 0.07 -0.04 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.04 -0.08 -0.10 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.03 0.01 0.00 -0.00 0.00 0.02 -0.00 -0.02 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.03 -0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.06 -0.03 -0.00 0.00 -0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 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 0.02 0.07 0.06 -0.02 -0.05 -0.04 0.36 0.48 0.40 0.28 -0.16 -0.38 -0.03 -0.04 -0.32 -0.00 0.27 0.07 -0.03 -0.05 0.03 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.02 -0.00 0.02 -0.03 0.00 -0.00 0.00 -0.01 -0.03 0.01 -0.02 0.01 -0.01 -0.06 0.01 0.07 0.02 -0.01 0.01 -0.02 -0.03 -0.03 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.09 0.02 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.03 0.04 0.04 0.03 -0.02 -0.04 -0.00 -0.00 -0.01 -0.00 0.02 0.01 0.02 0.03 -0.02 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.14 -0.05 0.61 -0.35 0.34 0.39 -0.09 -0.44 -0.02 0.01 -0.02 -0.02 -0.04 -0.05 -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 0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.02 0.04 -0.00 -0.05 -0.06 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 0.02 -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 -0.02 -0.07 -0.05 0.07 0.15 0.11 -0.12 -0.15 -0.12 0.27 -0.14 -0.34 0.06 0.06 0.59 -0.01 0.51 0.10 -0.02 -0.03 0.02 -0.01 0.01 -0.02 0.01 -0.00 -0.00 -0.01 -0.03 -0.03 -0.01 0.03 -0.05 0.00 0.00 -0.00 0.02 0.06 -0.02 -0.03 0.02 -0.02 0.01 -0.00 -0.01 0.09 -0.07 0.08 -0.02 -0.03 -0.04 -0.08 -0.11 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.02 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 0.02 -0.01 -0.02 0.01 0.01 0.07 -0.00 0.07 0.01 0.00 0.01 -0.00 0.50 -0.30 0.66 -0.26 0.14 0.11 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.03 0.01 -0.00 0.00 -0.00 -0.02 0.00 0.02 -0.15 0.13 -0.14 -0.00 -0.01 -0.01 0.12 0.16 -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 0.00 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 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.05 -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.04 -0.03 -0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.02 -0.02 -0.15 0.00 -0.12 -0.02 -0.05 -0.08 0.05 0.18 -0.11 0.24 -0.10 0.05 0.04 0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.05 0.16 -0.06 -0.04 0.02 -0.01 0.05 -0.01 -0.05 0.45 -0.38 0.41 0.07 0.14 0.15 -0.26 -0.35 0.18 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.06 -0.06 -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 0.01 0.04 0.03 0.01 0.02 0.02 0.02 0.03 0.03 0.02 -0.01 -0.02 0.01 0.01 0.08 -0.00 0.07 0.01 0.05 0.08 -0.04 -0.04 0.02 -0.05 0.02 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.02 -0.06 0.02 0.06 -0.03 0.03 0.01 -0.00 -0.01 0.13 -0.14 0.13 0.26 0.45 0.58 0.27 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -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 0.02 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.02 -0.03 -0.07 -0.00 -0.03 0.02 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.03 0.08 0.06 -0.05 -0.06 -0.05 0.11 -0.06 -0.14 -0.01 -0.01 -0.07 0.00 -0.06 -0.01 0.03 0.06 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.20 0.52 0.58 0.03 -0.17 0.25 -0.00 0.00 -0.00 0.10 0.31 -0.12 -0.14 0.07 -0.07 0.08 -0.02 -0.08 -0.05 0.04 -0.04 0.01 0.01 0.02 0.05 0.07 -0.04 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.01 0.01 0.00 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.01 0.02 0.04 -0.01 -0.06 0.05 -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 -0.01 -0.02 -0.01 -0.03 -0.07 -0.05 -0.02 -0.03 -0.02 0.09 -0.05 -0.11 -0.01 -0.01 -0.11 0.00 -0.08 -0.02 0.06 0.11 -0.06 -0.02 0.01 -0.02 0.01 -0.00 -0.00 -0.11 -0.28 -0.31 -0.02 0.09 -0.13 -0.00 -0.00 -0.00 0.21 0.63 -0.25 -0.27 0.14 -0.13 0.16 -0.05 -0.17 -0.08 0.07 -0.07 0.00 0.01 0.01 0.08 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 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 0.01 -0.04 -0.06 -0.00 -0.03 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.10 0.08 0.04 0.08 0.06 0.26 0.33 0.26 -0.38 0.19 0.48 0.04 0.03 0.35 -0.00 0.28 0.05 0.02 0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.06 0.07 0.00 -0.01 0.02 -0.00 0.00 -0.00 0.08 0.24 -0.09 -0.09 0.05 -0.04 0.06 -0.02 -0.06 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.04 -0.05 0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.08 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 0.17 -0.11 0.24 0.78 -0.39 -0.35 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.00 -0.08 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 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 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.02 0.03 -0.33 0.00 0.91 -0.00 -0.00 0.01 -0.12 -0.10 -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 0.00 0.00 -0.04 -0.04 -0.06 -0.00 0.00 0.00 -0.01 0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 0.01 0.01 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 0.49 0.42 0.71 0.01 -0.00 -0.03 0.10 -0.00 -0.26 0.02 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.01 0.03 0.00 -0.07 -0.02 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 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 0.12 0.11 0.17 -0.03 -0.00 0.07 -0.31 -0.00 0.81 0.22 0.18 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 0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.00 -0.02 -0.01 0.00 0.03 -0.04 -0.03 -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 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 -0.07 -0.06 -0.10 -0.08 -0.00 0.21 0.14 0.00 -0.38 0.45 0.38 0.64 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.07 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.02 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.35 0.83 0.42 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.07 0.05 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 0.01 -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 0.79 -0.56 -0.20 -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 0.02 0.01 0.00 0.00 0.00 -0.04 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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.66 -0.27 0.70 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 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 0.99998 -0.00216 0.00555 0.0022 0.99997 -0.00737 -0.00553 0.00739 0.99996 asymmetric 1 0.02130 0.00693 0.00604 0.44378 0.14439 0.12577 1044878.2 39.71 58.44 59.37 89.17 100.43 119.79 136.98 148.07 174.73 205.36 232.41 271.64 323.06 333.13 373.34 378.78 407.30 429.83 434.60 446.43 450.65 494.07 528.53 545.38 564.40 579.60 605.46 623.16 657.69 748.24 825.57 843.81 902.58 927.37 930.77 954.93 963.85 997.08 1030.51 1069.84 1120.73 1123.51 1187.30 1201.21 1211.05 1232.04 1242.43 1289.22 1300.70 1314.01 1344.78 1365.54 1378.67 1392.12 1398.83 1413.97 1424.52 1436.55 1459.10 1478.20 1479.08 1493.18 1508.32 1551.87 1572.74 1577.36 1604.22 1628.25 1653.84 1655.11 1677.84 1714.95 1733.38 1736.51 1757.37 1764.03 1776.32 1779.50 1813.29 1846.43 1851.76 1866.30 1880.48 1898.06 1918.19 1924.52 1935.39 1945.20 1950.11 1960.55 1973.71 1990.55 2010.42 2014.35 2018.61 2025.11 2047.13 2063.56 2126.70 2130.47 2130.84 2136.24 2139.68 2142.57 2149.44 2157.66 2181.66 2188.95 2204.59 2316.07 2341.81 4332.68 4338.58 4345.30 4357.44 4360.69 4368.47 4374.76 4390.58 4404.02 4416.59 4425.18 4426.33 4429.03 4443.70 4444.45 4451.74 4539.21 4556.16 4562.16 4599.70 4601.67 4669.09 4737.83 5499.82 0.397973 0.419592 0.420536 0.346823 -1400.004575 -1399.982956 -1399.982012 -1400.055725 263.298 84.555 155.142 0.000 0.000 0.000 0.889 2.981 43.305 0.889 2.981 34.944 261.520 78.593 76.893 1 0.593 1.984 5.995 2 0.594 1.981 5.229 3 0.594 1.981 5.197 4 0.597 1.972 4.393 5 0.598 1.969 4.159 6 0.600 1.961 3.813 7 0.603 1.953 3.550 8 0.605 1.947 3.398 9 0.609 1.931 3.077 10 0.616 1.910 2.767 11 0.622 1.890 2.532 12 0.633 1.855 2.240 13 0.649 1.804 1.922 14 0.653 1.793 1.867 15 0.668 1.747 1.665 16 0.670 1.740 1.640 17 0.682 1.705 1.515 18 0.692 1.676 1.424 19 0.694 1.670 1.405 20 0.699 1.654 1.361 21 0.701 1.648 1.345 22 0.722 1.589 1.196 23 0.740 1.539 1.091 24 0.749 1.515 1.043 25 0.760 1.487 0.991 26 0.768 1.464 0.952 27 0.783 1.425 0.889 28 0.794 1.398 0.849 29 0.815 1.345 0.775 30 0.875 1.206 0.610 31 0.930 1.088 0.497 32 0.944 1.061 0.474 0.336723e+24 23.527272 54.173547 0.145717e+09 8.163510 18.797175 0.100000e+01 0.000000 0.000000 0.239020e+09 8.378435 19.292059 0.966781e+07 6.985328 16.084313 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1400.4025479 4.456E-9 6.998E-6 0.3979731 0.4195918 -1399.9829561 -1399.9820119 -1400.0557247 -7.1243133,-5.4739455,12.5982588,3.8367944,-1.3280524,-1.0042388 C01 [X(C18H24Cl1N3O1)] -1.7405367 0.9896415 0.4594086 -1.0494656 0.2485268 -0.1779407 0.2884147 -0.1802271 0.0477601 -0.192631 0.0389186 -0.1866395 -0.8795182 0.2163703 0.117654 0.1722738 -0.9275618 -0.3202001 0.1031313 -0.3365529 -0.939884 -0.1893512 0.261377 0.0969406 0.4601906 -0.5598105 -0.2552857 0.1608896 -0.1905638 -0.2682319 -0.7663501 0.1455249 0.1699919 -0.1457423 -0.136824 0.0651849 0.0714909 0.0367002 -0.2638842 -0.6914174 -0.0069386 0.0714534 0.0886487 -0.8518521 -0.1719488 0.1271896 -0.2293552 -0.4749804 0.5798379 -0.2639909 -0.1379513 -0.2148693 0.704866 0.2791371 -0.0548061 0.2258083 0.5284653 -0.0074167 -0.0808885 -0.0552258 0.0553558 -0.0139639 -0.104462 -0.011585 -0.035907 0.0476903 0.0318388 0.0760298 0.0056836 0.1627418 0.0886736 0.1103489 -0.0407435 -0.0093303 0.0818257 0.0286186 -0.0187209 0.0129232 -0.0570956 0.0761878 0.130101 -0.0186546 0.1496697 0.1053333 0.0211164 -0.018598 -0.0280248 -0.096268 0.1658903 0.0420958 -0.0020948 0.0599101 0.1737753 0.136638 0.0040856 -0.0595009 -0.0215717 0.193816 0.0469548 -0.0665512 0.0237036 0.1941235 0.2250491 -0.1640105 -0.097472 -0.2615673 0.5090558 0.091899 -0.2293246 0.2590503 0.3064158 0.00258 -0.0365571 -0.041921 -0.1668333 0.1702174 -0.0305577 -0.0547987 0.0490079 0.1292365 0.0589059 -0.0141464 0.082014 -0.0297396 0.035325 -0.0303687 0.124034 -0.0326382 -0.0012366 0.0431875 -0.0590282 -0.0217881 -0.0700739 0.0879551 -0.0662532 0.0133257 -0.036015 0.0670257 0.4115446 -0.0873177 0.0908259 -0.1556038 -0.1287808 -0.0139044 0.1225341 -0.010663 -0.0548322 0.4655331 -0.3263883 -0.2040551 -0.2820827 0.500205 0.2370655 -0.2420362 0.2854153 0.2257803 -0.1386478 -0.0727809 -0.0389312 -0.0548468 -0.1328167 0.0469834 -0.0857585 0.0717447 0.0270298 -0.1425165 -0.0403642 0.0230363 0.0037242 -0.1436202 0.0810002 0.0628786 0.0323204 0.0699833 -0.2772465 0.0456719 0.017145 0.0364146 -0.159839 0.0351788 0.0211012 0.0468336 -0.0121557 -0.261329 0.0070334 -0.0991465 -0.0048488 -0.1496191 0.0562399 -0.0915071 0.0550205 -0.0549835 0.5841681 0.1850339 -0.1102904 0.1781493 0.3218867 0.1242233 -0.0776843 0.1099863 0.0759478 1.3530468 -0.3984407 0.2673424 -0.4104571 0.0687006 -0.0441121 0.281953 -0.0451949 0.1421068 0.0276412 0.0271092 0.0580033 0.0489031 -0.0344492 -0.0709542 0.1116112 -0.0944719 -0.0646832 -0.0169025 0.0566519 0.0428832 0.0601878 -0.0923714 -0.0680364 0.0576614 -0.08833 0.0107691 -0.0909677 0.0752315 0.0622218 0.1147782 -0.0367704 -0.0619579 0.12121 -0.0751027 -0.0018675 -0.0915271 -0.0534672 -0.0987097 -0.0889457 0.0110967 -0.0747926 -0.1490246 -0.0574579 -0.0688249 0.0067729 -0.0018546 0.0364701 -0.0024305 0.0547395 -0.0379785 0.0109647 0.0387644 -0.2345137 0.0294665 0.0064302 0.0115828 0.0282178 -0.2272501 0.0335768 0.012864 -0.0487742 0.0524762 -0.0503739 0.087836 -0.0661136 0.0889471 -0.0932354 0.0729726 -0.0700346 0.0895576 -0.0624701 0.032767 0.0461697 0.1174546 0.0068767 -0.0397512 0.0888985 0.1094187 -0.0012733 -0.0608706 -0.0421229 -0.0032707 -0.0676954 0.053083 0.0239145 -0.0724221 -0.0397652 -0.0538859 0.0951088 -0.0096411 0.0517083 -0.0053609 0.0693437 -0.0258834 -0.076324 0.0058924 -0.1384264 0.0026841 -0.0501762 -0.0056576 0.0054176 0.022355 0.0016818 0.1067249 -0.0181335 0.1391196 -0.1091342 0.5108498 0.0285669 0.0210781 0.0320365 0.3189672 0.0392805 -0.0088454 0.0294445 0.3406285 0.0381845 0.0994432 -0.0307075 0.1182859 -0.0975854 0.0289972 -0.0620311 0.0874117 0.02642 -0.0891703 -0.0941297 0.1471825 -0.1287464 0.0030833 0.08828 0.1055925 0.0480725 -0.0014742 -0.1082182 -0.0930092 -0.1512761 -0.0717788 0.000044 -0.1023611 -0.145116 -0.1188331 -0.0564605 -0.0473916 -0.1214901 0.0682331 -0.1412288 -0.0405897 0.0909586 0.1038327 0.1225897 -0.045272 0.0193364 0.0705044 0.0885512 0.0359443 -0.0196822 -0.1346263 0.0502871 -0.1444594 -0.0885576 -0.0588541 0.0760501 -0.095266 0.1323564 -0.0464857 0.0791722 -0.0992742 0.0415586 0.0296148 0.1176862 0.0220334 -0.0027429 0.0041994 0.1703823 -0.0579208 0.0139677 -0.0661866 0.1456405 0.0294661 0.0757318 0.0791078 0.0733467 0.1335357 -0.0575261 0.0676449 -0.0562963 0.0142114 0.065638 0.0189572 -0.0926349 0.0194023 0.1525298 -0.0359452 -0.0837091 -0.0322017 -0.0509323 0.0826875 0.0092782 -0.0783007 0.0222303 0.1702687 -0.0203435 -0.0734228 -0.0276117 -0.0011489 0.0561095 0.0569902 0.063195 0.0711072 0.1453571 -0.059461 0.0534519 -0.050418 0.0595629 0.0999342 -0.0372955 0.004664 -0.0427845 0.0305895 -0.0552917 0.0046047 -0.0606586 0.1511822 385.0182966|-17.0745345|293.1078839|1.4327812|17.9393869|299.6049159 -0.000004189 -0.000002853 -0.000000792 -0.000010440 -0.000001695 -0.000011217 -0.000023090 -0.000007793 -0.000031695 0.000000653 0.000013085 0.000003696 -0.000009669 0.000002690 -0.000010288 0.000010420 0.000012125 0.000010267 -0.000005341 -0.000010174 -0.000008043 0.000009896 -0.000007043 0.000005262 -0.000000109 0.000001632 0.000016766 0.000003844 -0.000001645 0.000002030 0.000005327 0.000008720 0.000005083 -0.000011723 -0.000002232 -0.000005941 0.000000793 0.000001822 0.000002243 0.000010117 -0.000000540 0.000002608 -0.000003159 0.000004639 0.000002425 -0.000008325 -0.000016245 0.000003801 0.000019782 -0.000006162 0.000027344 0.000001613 -0.000005705 0.000004718 0.000000141 0.000006404 -0.000003834 -0.000006803 -0.000007508 -0.000005082 -0.000001927 0.000003302 0.000002975 0.000001718 -0.000009957 0.000001678 0.000017744 -0.000010833 0.000000260 0.000003820 -0.000007068 -0.000000581 0.000006463 -0.000003486 -0.000003003 -0.000003802 0.000001717 -0.000000487 -0.000001521 -0.000001405 0.000003109 0.000004869 0.000007264 0.000000614 -0.000001590 0.000002282 -0.000000547 -0.000001499 -0.000001240 -0.000001370 -0.000002369 0.000001844 0.000004399 -0.000003140 0.000009687 0.000000891 -0.000004266 0.000000842 -0.000002162 0.000003749 0.000002936 -0.000004834 0.000002782 0.000000892 0.000000753 -0.000004058 0.000007702 -0.000001369 0.000000826 0.000001281 0.000002076 0.000003499 0.000002982 0.000004184 -0.000003338 0.000001965 -0.000000524 -0.000000581 0.000000713 -0.000001501 -0.000001606 0.000003530 -0.000002447 0.000005031 0.000007422 -0.000007195 0.000000924 0.000002742 0.000000514 -0.000000933 0.000000285 -0.000001589 0.000002823 -0.000003428 0.000000094 0.000001008 -0.000002910 -0.000001245 -0.000004366 -0.000000584 -0.000002042 309.66509999999977 AuxInfo=1/0/N:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 6-Sep-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 scrf=(smd,Solvent=n-Octanol) 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/ipconazole_RSR/octanol/CONF29 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction ipconazole_RSR CONF295 octanol 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 2166.7989571363 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 -0.0616990999 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 7.700160 0.000000 6.082461 3.726935 0.000000 7.189089 4.527006 1.361107 0.000000 5.576740 5.825059 2.192835 2.257615 0.000000 7.265138 1.442348 2.547052 3.247083 4.573282 0.000000 8.584997 2.488361 3.149904 3.193337 4.993456 1.550294 0.000000 6.873501 2.389488 3.150707 3.916525 4.672626 1.548935 2.403544 0.000000 9.306328 2.923730 4.443082 4.559509 6.123002 2.419994 1.540030 2.492745 0.000000 8.331976 2.942629 4.409414 4.855994 5.894245 2.433896 2.447155 1.553623 1.547868 0.000000 9.584908 3.190786 3.804384 3.530668 5.677431 2.674287 1.546505 3.883457 2.632411 3.884835 0.000000 6.410250 2.380188 1.458848 2.471936 3.611845 1.543592 2.598566 2.632320 3.849817 3.869151 3.223673 0.000000 6.073794 2.862088 4.000620 5.052258 5.325524 2.646516 3.845400 1.543162 3.795845 2.553673 5.231001 3.376472 0.000000 10.241526 3.108583 4.861444 4.830452 6.912432 3.298189 2.620605 4.606378 3.273128 4.506501 1.538287 3.904563 5.702004 0.000000 10.792184 4.596966 4.844065 4.205916 6.380152 3.970522 2.516373 4.885220 3.102636 4.547206 1.537788 4.579089 6.351668 2.513028 0.000000 4.563642 3.742690 3.803459 5.032905 4.727489 3.399749 4.760196 2.589260 5.056176 3.915995 6.053346 3.459428 1.510398 6.610238 7.250491 0.000000 4.992446 4.700063 1.345157 2.208155 1.326364 3.578358 4.335052 3.736813 5.461292 5.125610 5.128673 2.522619 4.234044 6.188420 6.097661 3.593560 0.000000 4.027969 3.904928 4.087039 5.434039 5.104718 3.876837 5.390954 3.564220 5.892371 4.946791 6.458166 3.552801 2.541050 6.814748 7.811993 1.398377 3.857048 0.000000 4.025863 4.947214 4.103434 5.195520 4.349746 4.305723 5.462987 3.300838 5.754260 4.544694 6.821803 4.240010 2.524083 7.601327 7.863897 1.400540 3.496458 2.400296 0.000000 2.733630 5.162920 4.604499 5.933615 5.136246 5.022440 6.501697 4.766334 7.141379 6.215785 7.495005 4.371372 3.827572 7.918226 8.841148 2.436285 4.021644 1.394974 2.785614 0.000000 2.734177 5.999185 4.624383 5.718969 4.385034 5.365872 6.564364 4.571445 7.027446 5.897234 7.816499 4.955500 3.815278 8.613537 8.890301 2.437424 3.679945 2.787646 1.392753 2.425732 0.000000 6.869619 5.666651 2.097660 1.321711 1.361125 4.341011 4.359443 4.694251 5.587206 5.690643 4.800980 3.505807 5.685638 6.143397 5.301479 5.418549 2.101272 5.864077 5.245584 6.122398 5.532467 0.000000 1.769239 6.068376 4.835993 6.050830 4.779225 5.648130 7.002292 5.158421 7.618623 6.597818 8.099390 4.991391 4.304671 8.734989 9.319538 2.794441 3.922507 2.397684 2.395930 1.390296 1.391552 5.952250 0.000000 8.376471 3.368774 2.758534 2.505046 4.252789 2.105676 1.095178 2.590247 2.133798 2.781572 2.113043 2.760072 4.113490 3.498758 2.656453 4.840092 3.833683 5.593808 5.273365 6.573165 6.302677 3.519250 6.868148 0.000000 6.545461 3.312290 2.735697 3.376419 3.841797 2.139756 2.711285 1.094691 3.002362 2.172362 4.183486 2.770616 2.156898 5.187314 5.017109 2.712535 3.100545 3.817593 2.958721 4.802434 4.146976 3.916356 4.916819 2.428013 0.000000 9.924389 2.855766 5.182241 5.366106 7.027431 2.887589 2.179702 3.171446 1.092546 2.183378 2.811986 4.342594 4.232058 2.904897 3.326468 5.578289 6.267983 6.271141 6.449682 7.584361 7.734515 6.488216 8.213985 3.038724 3.897690 0.000000 10.052733 4.001108 5.026604 4.886878 6.473961 3.363285 2.188741 3.307699 1.091460 2.207922 3.013580 4.672618 4.656862 3.816649 2.921705 5.887865 6.009296 6.826718 6.413655 8.033524 7.682764 5.807734 8.392134 2.388833 3.556927 1.758160 0.000000 8.551235 4.005013 4.872084 5.194810 6.011607 3.318946 3.163002 2.186982 2.208036 1.092837 4.609394 4.615284 3.054231 5.403193 5.016688 4.288652 5.418300 5.496830 4.606455 6.678628 5.958944 5.835429 6.854209 3.168915 2.346119 2.968705 2.382672 0.000000 8.629983 3.012841 5.228663 5.809669 6.797563 3.011377 3.241559 2.181354 2.186602 1.093140 4.537308 4.479379 2.577346 4.836783 5.267861 4.078758 5.915360 5.019131 4.866651 6.363406 6.241352 6.680654 6.864020 3.777892 3.017881 2.316936 2.889624 1.756473 0.000000 9.173167 3.536961 3.264373 2.865130 5.072122 2.886998 2.136897 4.227172 3.523688 4.574184 1.095618 2.867357 5.520544 2.140902 2.131907 6.089097 4.595077 6.355768 6.794796 7.236316 7.632370 4.145194 7.813455 2.371549 4.370217 3.822386 3.923644 5.274615 5.295006 0.000000 7.134945 2.642962 2.071140 2.682522 4.169893 2.162149 2.835681 3.545731 4.228699 4.576525 2.895195 1.091682 4.334676 3.373584 4.306708 4.467991 3.232005 4.368530 5.302195 5.109571 5.939487 3.841466 5.834206 3.130295 3.762313 4.558057 5.021767 5.397858 5.146051 2.315069 0.000000 5.584420 2.554284 2.055450 3.312763 3.887974 2.159382 3.519710 2.907722 4.576139 4.310541 4.209762 1.087451 3.121558 4.672502 5.619806 2.867172 2.614119 2.620963 3.776878 3.385775 4.355082 4.126537 4.169253 3.743752 3.133167 4.986428 5.485490 5.068581 4.743778 3.881651 1.762002 0.000000 6.544292 2.436077 4.552652 5.637455 6.124752 2.801304 4.065331 2.161467 3.947775 2.883956 5.286928 3.608580 1.091945 5.455893 6.510129 2.147364 4.940670 2.654514 3.401020 4.039657 4.568796 6.420231 4.802358 4.586138 3.046799 4.101484 4.924304 3.609708 2.565904 5.639359 4.393017 3.252428 0.000000 6.495392 3.747198 4.859091 5.804851 5.951067 3.513756 4.464341 2.133268 4.083686 2.605304 5.934069 4.383355 1.095192 6.442109 6.895526 2.120804 4.988953 3.308938 2.693183 4.483719 4.043609 6.334598 4.756166 4.655461 2.564048 4.535520 4.795079 2.773952 2.463598 6.332074 5.357617 4.193864 1.754034 0.000000 8.330697 0.963309 4.016364 4.655488 6.196621 1.980061 2.619055 3.228473 3.230939 3.640188 2.812384 2.630443 3.820803 2.380778 4.268870 4.619312 5.125784 4.635598 5.813716 5.807650 6.796106 5.890323 6.772609 3.588566 4.064618 2.984298 4.241980 4.709686 3.736496 3.121768 2.481137 2.933190 3.363428 4.706012 0.000000 10.648968 3.118990 5.508880 5.571747 7.573123 3.530208 2.845070 4.594099 2.946100 4.182918 2.199420 4.475342 5.608756 1.093508 2.906500 6.707826 6.793923 7.005004 7.745595 8.217946 8.865463 6.865989 9.055506 3.835500 5.309084 2.254011 3.484046 5.083739 4.321792 3.066868 4.136773 5.162003 5.267172 6.220825 2.518105 0.000000 11.135870 4.171284 5.616207 5.404379 7.578460 4.332859 3.538643 5.662065 4.186505 5.521642 2.169746 4.772254 6.789165 1.094621 2.629122 7.659734 6.958720 7.816001 8.627172 8.865817 9.598287 6.690709 9.686551 4.274966 6.176432 3.794012 4.550572 6.363582 5.866460 2.545951 4.090203 5.563917 6.542729 7.530239 3.378857 1.763119 0.000000 9.683454 2.699868 4.679363 4.881870 6.817856 3.181252 3.028032 4.613699 3.832757 4.797688 2.210030 3.531010 5.493938 1.095728 3.472106 6.256574 5.959248 6.248411 7.347984 7.298895 8.271430 6.198683 8.229282 3.936564 5.266477 3.468583 4.572007 5.789827 5.036408 2.434515 2.872398 4.115781 5.131260 6.348225 1.791027 1.776058 1.744034 0.000000 11.493567 5.331754 5.469045 4.724466 6.957379 4.814088 3.473078 5.872098 4.150307 5.608622 2.179311 5.218455 7.308827 2.764617 1.094467 8.142357 6.739554 8.593412 8.781675 9.568367 9.742689 5.794970 10.087827 3.615333 6.003378 4.244065 3.983562 6.109121 6.288983 2.441777 4.745893 6.252072 7.413159 7.912927 4.848278 3.309724 2.432078 3.681798 0.000000 10.579095 5.075030 4.612861 3.771653 5.833049 4.165898 2.699289 4.871898 3.317580 4.593304 2.188516 4.673231 6.402579 3.479365 1.094626 7.208618 5.748579 7.883527 7.633442 8.837746 8.616170 4.685405 9.156128 2.379517 4.766716 3.839272 2.939163 4.859576 5.466997 2.509689 4.553177 5.748964 6.738617 6.881832 4.904933 3.886648 3.671662 4.342346 1.769289 0.000000 11.395241 4.803465 5.619848 5.098605 7.190205 4.341062 2.850850 5.062451 2.861587 4.389656 2.187872 5.235569 6.489208 2.760438 1.094774 7.563769 6.850327 8.212012 8.212710 9.340852 9.343529 6.176197 9.840575 3.145501 5.306411 2.885021 2.481287 4.806393 4.981832 3.057984 5.062018 6.222257 6.585616 6.905724 4.522439 2.730180 2.898120 3.827409 1.766520 1.770418 0.000000 3.981201 4.772025 2.131044 3.234042 2.152280 3.862194 4.908015 3.835347 5.904451 5.339069 5.810566 2.841408 3.919623 6.715620 6.905724 2.947961 1.077186 3.029698 2.812561 2.997740 2.782692 3.157167 2.859402 4.558420 3.322388 6.645190 6.560012 5.657450 5.982944 5.346330 3.642539 2.502645 4.594036 4.672748 5.297885 7.246532 7.555310 6.364702 7.585483 6.639209 7.592885 0.000000 4.875895 3.384027 4.376762 5.709007 5.743182 3.736474 5.284553 3.714732 5.774920 4.977223 6.204794 3.499408 2.749253 6.322346 7.641419 2.151875 4.432951 1.084854 3.387343 2.142319 3.872454 6.336742 3.377719 5.686660 4.223915 5.974033 6.791976 5.698971 4.913311 6.145967 4.129739 2.530730 2.431467 3.620160 4.019792 6.474335 7.304601 5.649635 8.368295 7.862800 8.005773 3.737608 0.000000 4.873679 5.283795 4.400312 5.293187 4.493748 4.495127 5.411706 3.248071 5.517535 4.234666 6.861600 4.667659 2.720212 7.758236 7.732259 2.154008 3.858068 3.387262 1.085179 3.870756 2.139603 5.275465 3.376200 5.106362 2.723970 6.302118 6.026605 4.047594 4.629623 6.931079 5.758052 4.427111 3.739990 2.549593 6.175050 7.835655 8.782890 7.654680 8.706809 7.404724 8.003581 3.418124 4.289706 0.000000 2.872563 5.632339 5.206358 6.527910 5.786202 5.660426 7.164243 5.614636 7.885272 7.059904 8.009540 4.874588 4.698194 8.297394 9.420618 3.417182 4.680698 2.158464 3.868643 1.083032 3.406013 6.750188 2.153108 7.308365 5.729992 8.242699 8.823925 7.609723 7.158480 7.681227 5.435629 3.818782 4.730078 5.413058 6.158414 8.643146 9.190644 7.564940 10.070073 9.489415 9.959342 3.687914 2.472735 4.953775 0.000000 2.872800 6.946808 5.235559 6.176975 4.558617 6.192900 7.263787 5.319293 7.701219 6.557656 8.535489 5.779275 4.680706 9.444428 9.500920 3.418765 4.150452 3.870578 2.157224 3.405685 1.082935 5.775160 2.154085 6.871895 4.736092 8.485996 8.251244 6.464540 6.965725 8.331324 6.765753 5.278902 5.518171 4.760012 7.745519 9.710427 10.412036 9.167566 10.360576 9.119710 9.962732 3.373878 4.955375 2.470417 4.298478 0.000000 7.719773 6.581336 3.138562 2.101968 2.154788 5.232772 5.006597 5.574000 6.184607 6.411431 5.293391 4.494806 6.650361 6.703414 5.515857 6.437179 3.143994 6.931731 6.176195 7.159618 6.428946 1.079619 6.908083 4.074073 4.752372 7.108385 6.238634 6.456378 7.449279 4.627472 4.722796 5.178790 7.409462 7.232859 6.749106 7.448695 7.132276 6.871392 5.905865 4.759726 6.408150 4.171243 7.414621 6.101347 7.782410 6.552712 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4437764 0.1443903 0.1257701 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= 1.03D-06 NBF= 658 NBsUse= 657 1.00D-06 EigRej= 7.79D-07 NBFU= 657 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= 677 677 677 677 677 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1400.40254794145 -1400.40254794 1 1.395092279593e+03 -7.611943526088e+03 2.649717163168e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245781245 LenY= 4245316803 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. PT1334.700S Mon Sep 6 04:42:06 2021 GINC-DEPAZ20 PAULAPLA 06-Sep-2021 0 Wavefunction ipconazole_RSR CONF295 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1400.4025479 RMSD=4.537e-09 Dipole=-1.7405368,0.9896415,0.4594085 Quadrupole=-7.1243145,-5.4739452,12.5982597,3.8367935,-1.3280528,-1.004239 PG=C01 [X(C18H24Cl1N3O1)] 0 5.5737946093 0.4626628681 0.3181928149 0 -2.0133397782 1.4637373419 1.1700770004 0 -0.1303711237 -1.6485399599 0.3587783177 0 -0.8458658329 -2.7610571897 0.0378668797 0 1.2897803629 -2.9699959036 -0.6636939887 0 -1.6906310501 0.3636657601 0.2948233041 0 -2.9533755239 -0.3755576522 -0.2174636047 0 -1.1488674471 1.0008032511 -1.0089208295 0 -3.6151770031 0.6637972462 -1.1412883796 0 -2.4366737139 1.4676892353 -1.7419396489 0 -3.8703783451 -1.1034240792 0.7929785489 0 -0.7123717666 -0.527801935 1.089160623 0 -0.1354525801 2.156897282 -0.8755567845 0 -4.5253699471 -0.226670235 1.8740037167 0 -4.9577800978 -1.8768589905 0.0286827541 0 1.2881490966 1.7565311899 -0.5683617043 0 1.1387044263 -1.7979523037 -0.0614232159 0 1.8375778186 1.9164857211 0.7075691426 0 2.0972914144 1.2068009409 -1.5706573512 0 3.1460953549 1.5243586468 0.9903608101 0 3.408545231 0.8137070548 -1.3140414799 0 0.0468893498 -3.5179246116 -0.5761844035 0 3.9153133833 0.9724936417 -0.0278105546 0 -2.5573115902 -1.1680384641 -0.8612984663 0 -0.6830520229 0.1951173217 -1.5853184651 0 -4.2732567716 1.3228651171 -0.5701332305 0 -4.2252385611 0.183876473 -1.9086123566 0 -2.335456611 1.3138234715 -2.8191457089 0 -2.5832635447 2.5396430667 -1.5857943327 0 -3.2488603352 -1.8477465991 1.3029569036 0 -1.227534817 -0.9320042068 1.9626572225 0 0.1169308769 0.0808214969 1.4418417071 0 -0.4980708264 2.8632732474 -0.1259665918 0 -0.1366291774 2.6879531306 -1.8333790751 0 -2.5803604012 1.1462800092 1.8811830481 0 -5.0128496858 0.6566021972 1.4521577866 0 -5.2917213363 -0.8009325265 2.4042138344 0 -3.8191342847 0.1020424736 2.6445875806 0 -5.5168828655 -2.5285834206 0.7072965817 0 -4.523851861 -2.5036678419 -0.7568256427 0 -5.6745187124 -1.1957060526 -0.4412598931 0 1.8979559794 -1.0501743803 0.0957248871 0 1.235927419 2.3499908477 1.4994013991 0 1.6976706332 1.0782432618 -2.5713518157 0 3.5567031403 1.6480418528 1.9848764071 0 4.0213592919 0.38601273 -2.0978052839 0 -0.2046443546 -4.4924784091 -0.9667653031 Gaussian 16 6-Sep-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 scrf=(smd,Solvent=n-Octanol) 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/ipconazole_RSR/octanol/CONF29 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=25/2 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_RSR CONF295 octanol 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 2166.7989571363 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 -0.0616990999 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 7.700160 0.000000 6.082461 3.726935 0.000000 7.189089 4.527006 1.361107 0.000000 5.576740 5.825059 2.192835 2.257615 0.000000 7.265138 1.442348 2.547052 3.247083 4.573282 0.000000 8.584997 2.488361 3.149904 3.193337 4.993456 1.550294 0.000000 6.873501 2.389488 3.150707 3.916525 4.672626 1.548935 2.403544 0.000000 9.306328 2.923730 4.443082 4.559509 6.123002 2.419994 1.540030 2.492745 0.000000 8.331976 2.942629 4.409414 4.855994 5.894245 2.433896 2.447155 1.553623 1.547868 0.000000 9.584908 3.190786 3.804384 3.530668 5.677431 2.674287 1.546505 3.883457 2.632411 3.884835 0.000000 6.410250 2.380188 1.458848 2.471936 3.611845 1.543592 2.598566 2.632320 3.849817 3.869151 3.223673 0.000000 6.073794 2.862088 4.000620 5.052258 5.325524 2.646516 3.845400 1.543162 3.795845 2.553673 5.231001 3.376472 0.000000 10.241526 3.108583 4.861444 4.830452 6.912432 3.298189 2.620605 4.606378 3.273128 4.506501 1.538287 3.904563 5.702004 0.000000 10.792184 4.596966 4.844065 4.205916 6.380152 3.970522 2.516373 4.885220 3.102636 4.547206 1.537788 4.579089 6.351668 2.513028 0.000000 4.563642 3.742690 3.803459 5.032905 4.727489 3.399749 4.760196 2.589260 5.056176 3.915995 6.053346 3.459428 1.510398 6.610238 7.250491 0.000000 4.992446 4.700063 1.345157 2.208155 1.326364 3.578358 4.335052 3.736813 5.461292 5.125610 5.128673 2.522619 4.234044 6.188420 6.097661 3.593560 0.000000 4.027969 3.904928 4.087039 5.434039 5.104718 3.876837 5.390954 3.564220 5.892371 4.946791 6.458166 3.552801 2.541050 6.814748 7.811993 1.398377 3.857048 0.000000 4.025863 4.947214 4.103434 5.195520 4.349746 4.305723 5.462987 3.300838 5.754260 4.544694 6.821803 4.240010 2.524083 7.601327 7.863897 1.400540 3.496458 2.400296 0.000000 2.733630 5.162920 4.604499 5.933615 5.136246 5.022440 6.501697 4.766334 7.141379 6.215785 7.495005 4.371372 3.827572 7.918226 8.841148 2.436285 4.021644 1.394974 2.785614 0.000000 2.734177 5.999185 4.624383 5.718969 4.385034 5.365872 6.564364 4.571445 7.027446 5.897234 7.816499 4.955500 3.815278 8.613537 8.890301 2.437424 3.679945 2.787646 1.392753 2.425732 0.000000 6.869619 5.666651 2.097660 1.321711 1.361125 4.341011 4.359443 4.694251 5.587206 5.690643 4.800980 3.505807 5.685638 6.143397 5.301479 5.418549 2.101272 5.864077 5.245584 6.122398 5.532467 0.000000 1.769239 6.068376 4.835993 6.050830 4.779225 5.648130 7.002292 5.158421 7.618623 6.597818 8.099390 4.991391 4.304671 8.734989 9.319538 2.794441 3.922507 2.397684 2.395930 1.390296 1.391552 5.952250 0.000000 8.376471 3.368774 2.758534 2.505046 4.252789 2.105676 1.095178 2.590247 2.133798 2.781572 2.113043 2.760072 4.113490 3.498758 2.656453 4.840092 3.833683 5.593808 5.273365 6.573165 6.302677 3.519250 6.868148 0.000000 6.545461 3.312290 2.735697 3.376419 3.841797 2.139756 2.711285 1.094691 3.002362 2.172362 4.183486 2.770616 2.156898 5.187314 5.017109 2.712535 3.100545 3.817593 2.958721 4.802434 4.146976 3.916356 4.916819 2.428013 0.000000 9.924389 2.855766 5.182241 5.366106 7.027431 2.887589 2.179702 3.171446 1.092546 2.183378 2.811986 4.342594 4.232058 2.904897 3.326468 5.578289 6.267983 6.271141 6.449682 7.584361 7.734515 6.488216 8.213985 3.038724 3.897690 0.000000 10.052733 4.001108 5.026604 4.886878 6.473961 3.363285 2.188741 3.307699 1.091460 2.207922 3.013580 4.672618 4.656862 3.816649 2.921705 5.887865 6.009296 6.826718 6.413655 8.033524 7.682764 5.807734 8.392134 2.388833 3.556927 1.758160 0.000000 8.551235 4.005013 4.872084 5.194810 6.011607 3.318946 3.163002 2.186982 2.208036 1.092837 4.609394 4.615284 3.054231 5.403193 5.016688 4.288652 5.418300 5.496830 4.606455 6.678628 5.958944 5.835429 6.854209 3.168915 2.346119 2.968705 2.382672 0.000000 8.629983 3.012841 5.228663 5.809669 6.797563 3.011377 3.241559 2.181354 2.186602 1.093140 4.537308 4.479379 2.577346 4.836783 5.267861 4.078758 5.915360 5.019131 4.866651 6.363406 6.241352 6.680654 6.864020 3.777892 3.017881 2.316936 2.889624 1.756473 0.000000 9.173167 3.536961 3.264373 2.865130 5.072122 2.886998 2.136897 4.227172 3.523688 4.574184 1.095618 2.867357 5.520544 2.140902 2.131907 6.089097 4.595077 6.355768 6.794796 7.236316 7.632370 4.145194 7.813455 2.371549 4.370217 3.822386 3.923644 5.274615 5.295006 0.000000 7.134945 2.642962 2.071140 2.682522 4.169893 2.162149 2.835681 3.545731 4.228699 4.576525 2.895195 1.091682 4.334676 3.373584 4.306708 4.467991 3.232005 4.368530 5.302195 5.109571 5.939487 3.841466 5.834206 3.130295 3.762313 4.558057 5.021767 5.397858 5.146051 2.315069 0.000000 5.584420 2.554284 2.055450 3.312763 3.887974 2.159382 3.519710 2.907722 4.576139 4.310541 4.209762 1.087451 3.121558 4.672502 5.619806 2.867172 2.614119 2.620963 3.776878 3.385775 4.355082 4.126537 4.169253 3.743752 3.133167 4.986428 5.485490 5.068581 4.743778 3.881651 1.762002 0.000000 6.544292 2.436077 4.552652 5.637455 6.124752 2.801304 4.065331 2.161467 3.947775 2.883956 5.286928 3.608580 1.091945 5.455893 6.510129 2.147364 4.940670 2.654514 3.401020 4.039657 4.568796 6.420231 4.802358 4.586138 3.046799 4.101484 4.924304 3.609708 2.565904 5.639359 4.393017 3.252428 0.000000 6.495392 3.747198 4.859091 5.804851 5.951067 3.513756 4.464341 2.133268 4.083686 2.605304 5.934069 4.383355 1.095192 6.442109 6.895526 2.120804 4.988953 3.308938 2.693183 4.483719 4.043609 6.334598 4.756166 4.655461 2.564048 4.535520 4.795079 2.773952 2.463598 6.332074 5.357617 4.193864 1.754034 0.000000 8.330697 0.963309 4.016364 4.655488 6.196621 1.980061 2.619055 3.228473 3.230939 3.640188 2.812384 2.630443 3.820803 2.380778 4.268870 4.619312 5.125784 4.635598 5.813716 5.807650 6.796106 5.890323 6.772609 3.588566 4.064618 2.984298 4.241980 4.709686 3.736496 3.121768 2.481137 2.933190 3.363428 4.706012 0.000000 10.648968 3.118990 5.508880 5.571747 7.573123 3.530208 2.845070 4.594099 2.946100 4.182918 2.199420 4.475342 5.608756 1.093508 2.906500 6.707826 6.793923 7.005004 7.745595 8.217946 8.865463 6.865989 9.055506 3.835500 5.309084 2.254011 3.484046 5.083739 4.321792 3.066868 4.136773 5.162003 5.267172 6.220825 2.518105 0.000000 11.135870 4.171284 5.616207 5.404379 7.578460 4.332859 3.538643 5.662065 4.186505 5.521642 2.169746 4.772254 6.789165 1.094621 2.629122 7.659734 6.958720 7.816001 8.627172 8.865817 9.598287 6.690709 9.686551 4.274966 6.176432 3.794012 4.550572 6.363582 5.866460 2.545951 4.090203 5.563917 6.542729 7.530239 3.378857 1.763119 0.000000 9.683454 2.699868 4.679363 4.881870 6.817856 3.181252 3.028032 4.613699 3.832757 4.797688 2.210030 3.531010 5.493938 1.095728 3.472106 6.256574 5.959248 6.248411 7.347984 7.298895 8.271430 6.198683 8.229282 3.936564 5.266477 3.468583 4.572007 5.789827 5.036408 2.434515 2.872398 4.115781 5.131260 6.348225 1.791027 1.776058 1.744034 0.000000 11.493567 5.331754 5.469045 4.724466 6.957379 4.814088 3.473078 5.872098 4.150307 5.608622 2.179311 5.218455 7.308827 2.764617 1.094467 8.142357 6.739554 8.593412 8.781675 9.568367 9.742689 5.794970 10.087827 3.615333 6.003378 4.244065 3.983562 6.109121 6.288983 2.441777 4.745893 6.252072 7.413159 7.912927 4.848278 3.309724 2.432078 3.681798 0.000000 10.579095 5.075030 4.612861 3.771653 5.833049 4.165898 2.699289 4.871898 3.317580 4.593304 2.188516 4.673231 6.402579 3.479365 1.094626 7.208618 5.748579 7.883527 7.633442 8.837746 8.616170 4.685405 9.156128 2.379517 4.766716 3.839272 2.939163 4.859576 5.466997 2.509689 4.553177 5.748964 6.738617 6.881832 4.904933 3.886648 3.671662 4.342346 1.769289 0.000000 11.395241 4.803465 5.619848 5.098605 7.190205 4.341062 2.850850 5.062451 2.861587 4.389656 2.187872 5.235569 6.489208 2.760438 1.094774 7.563769 6.850327 8.212012 8.212710 9.340852 9.343529 6.176197 9.840575 3.145501 5.306411 2.885021 2.481287 4.806393 4.981832 3.057984 5.062018 6.222257 6.585616 6.905724 4.522439 2.730180 2.898120 3.827409 1.766520 1.770418 0.000000 3.981201 4.772025 2.131044 3.234042 2.152280 3.862194 4.908015 3.835347 5.904451 5.339069 5.810566 2.841408 3.919623 6.715620 6.905724 2.947961 1.077186 3.029698 2.812561 2.997740 2.782692 3.157167 2.859402 4.558420 3.322388 6.645190 6.560012 5.657450 5.982944 5.346330 3.642539 2.502645 4.594036 4.672748 5.297885 7.246532 7.555310 6.364702 7.585483 6.639209 7.592885 0.000000 4.875895 3.384027 4.376762 5.709007 5.743182 3.736474 5.284553 3.714732 5.774920 4.977223 6.204794 3.499408 2.749253 6.322346 7.641419 2.151875 4.432951 1.084854 3.387343 2.142319 3.872454 6.336742 3.377719 5.686660 4.223915 5.974033 6.791976 5.698971 4.913311 6.145967 4.129739 2.530730 2.431467 3.620160 4.019792 6.474335 7.304601 5.649635 8.368295 7.862800 8.005773 3.737608 0.000000 4.873679 5.283795 4.400312 5.293187 4.493748 4.495127 5.411706 3.248071 5.517535 4.234666 6.861600 4.667659 2.720212 7.758236 7.732259 2.154008 3.858068 3.387262 1.085179 3.870756 2.139603 5.275465 3.376200 5.106362 2.723970 6.302118 6.026605 4.047594 4.629623 6.931079 5.758052 4.427111 3.739990 2.549593 6.175050 7.835655 8.782890 7.654680 8.706809 7.404724 8.003581 3.418124 4.289706 0.000000 2.872563 5.632339 5.206358 6.527910 5.786202 5.660426 7.164243 5.614636 7.885272 7.059904 8.009540 4.874588 4.698194 8.297394 9.420618 3.417182 4.680698 2.158464 3.868643 1.083032 3.406013 6.750188 2.153108 7.308365 5.729992 8.242699 8.823925 7.609723 7.158480 7.681227 5.435629 3.818782 4.730078 5.413058 6.158414 8.643146 9.190644 7.564940 10.070073 9.489415 9.959342 3.687914 2.472735 4.953775 0.000000 2.872800 6.946808 5.235559 6.176975 4.558617 6.192900 7.263787 5.319293 7.701219 6.557656 8.535489 5.779275 4.680706 9.444428 9.500920 3.418765 4.150452 3.870578 2.157224 3.405685 1.082935 5.775160 2.154085 6.871895 4.736092 8.485996 8.251244 6.464540 6.965725 8.331324 6.765753 5.278902 5.518171 4.760012 7.745519 9.710427 10.412036 9.167566 10.360576 9.119710 9.962732 3.373878 4.955375 2.470417 4.298478 0.000000 7.719773 6.581336 3.138562 2.101968 2.154788 5.232772 5.006597 5.574000 6.184607 6.411431 5.293391 4.494806 6.650361 6.703414 5.515857 6.437179 3.143994 6.931731 6.176195 7.159618 6.428946 1.079619 6.908083 4.074073 4.752372 7.108385 6.238634 6.456378 7.449279 4.627472 4.722796 5.178790 7.409462 7.232859 6.749106 7.448695 7.132276 6.871392 5.905865 4.759726 6.408150 4.171243 7.414621 6.101347 7.782410 6.552712 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4437764 0.1443903 0.1257701 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= 1.03D-06 NBF= 658 NBsUse= 657 1.00D-06 EigRej= 7.79D-07 NBFU= 657 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= 677 677 677 677 677 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1400.40254794145 -1400.40254794 1 1.395092279593e+03 -7.611943526088e+03 2.649717163168e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245781245 LenY= 4245316803 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 5.0438 245.82 0.0093 0.000 87 91 -0.18752 88 90 0.12383 88 91 -0.25102 89 90 0.57758 89 91 0.20646 -1400.21719239 2 Singlet-A 5.5253 224.39 0.2008 0.000 87 90 0.11746 88 90 0.21271 89 90 -0.24737 89 91 0.60615 3 Singlet-A 5.7555 215.42 0.0056 0.000 89 92 0.68930 4 Singlet-A 5.8105 213.38 0.0005 0.000 89 93 0.53187 89 94 0.42291 5 Singlet-A 5.9352 208.90 0.0119 0.000 87 90 0.52972 88 90 -0.43971 6 Singlet-A 6.0396 205.28 0.0004 0.000 87 91 0.54365 88 91 -0.43410 7 Singlet-A 6.1429 201.83 0.0034 0.000 89 93 -0.29882 89 94 0.40873 89 95 0.46785 8 Singlet-A 6.2362 198.81 0.1795 0.000 84 92 0.18496 85 92 -0.22403 86 90 0.32159 86 92 0.16564 87 90 -0.26350 87 92 -0.23853 88 90 -0.27231 88 91 0.11133 88 92 -0.10828 89 91 0.14007 9 Singlet-A 6.2642 197.92 0.1666 0.000 84 92 -0.11664 85 90 0.11199 85 92 0.13519 86 90 -0.15699 86 91 -0.14215 86 92 -0.10580 87 90 -0.17558 87 91 0.28400 87 92 0.10191 88 91 0.40639 89 90 0.23730 89 91 0.10855 10 Singlet-A 6.3180 196.24 0.1906 0.000 84 90 -0.10125 84 92 -0.25589 85 90 0.16151 85 92 0.31252 86 90 0.20644 86 92 -0.21521 87 90 -0.19138 87 91 -0.17573 88 90 -0.25952 88 91 -0.13430 PT59387.400S Mon Sep 6 05:23:50 2021 GINC-DEPAZ20 PAULAPLA 06-Sep-2021 0 Electronic spectrum ipconazole_RSR CONF295 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1400.4025479 RMSD=3.266e-09 PG=C01 [X(C18H24Cl1N3O1)] 0 5.5737946093 0.4626628681 0.3181928149 0 -2.0133397782 1.4637373419 1.1700770004 0 -0.1303711237 -1.6485399599 0.3587783177 0 -0.8458658329 -2.7610571897 0.0378668797 0 1.2897803629 -2.9699959036 -0.6636939887 0 -1.6906310501 0.3636657601 0.2948233041 0 -2.9533755239 -0.3755576522 -0.2174636047 0 -1.1488674471 1.0008032511 -1.0089208295 0 -3.6151770031 0.6637972462 -1.1412883796 0 -2.4366737139 1.4676892353 -1.7419396489 0 -3.8703783451 -1.1034240792 0.7929785489 0 -0.7123717666 -0.527801935 1.089160623 0 -0.1354525801 2.156897282 -0.8755567845 0 -4.5253699471 -0.226670235 1.8740037167 0 -4.9577800978 -1.8768589905 0.0286827541 0 1.2881490966 1.7565311899 -0.5683617043 0 1.1387044263 -1.7979523037 -0.0614232159 0 1.8375778186 1.9164857211 0.7075691426 0 2.0972914144 1.2068009409 -1.5706573512 0 3.1460953549 1.5243586468 0.9903608101 0 3.408545231 0.8137070548 -1.3140414799 0 0.0468893498 -3.5179246116 -0.5761844035 0 3.9153133833 0.9724936417 -0.0278105546 0 -2.5573115902 -1.1680384641 -0.8612984663 0 -0.6830520229 0.1951173217 -1.5853184651 0 -4.2732567716 1.3228651171 -0.5701332305 0 -4.2252385611 0.183876473 -1.9086123566 0 -2.335456611 1.3138234715 -2.8191457089 0 -2.5832635447 2.5396430667 -1.5857943327 0 -3.2488603352 -1.8477465991 1.3029569036 0 -1.227534817 -0.9320042068 1.9626572225 0 0.1169308769 0.0808214969 1.4418417071 0 -0.4980708264 2.8632732474 -0.1259665918 0 -0.1366291774 2.6879531306 -1.8333790751 0 -2.5803604012 1.1462800092 1.8811830481 0 -5.0128496858 0.6566021972 1.4521577866 0 -5.2917213363 -0.8009325265 2.4042138344 0 -3.8191342847 0.1020424736 2.6445875806 0 -5.5168828655 -2.5285834206 0.7072965817 0 -4.523851861 -2.5036678419 -0.7568256427 0 -5.6745187124 -1.1957060526 -0.4412598931 0 1.8979559794 -1.0501743803 0.0957248871 0 1.235927419 2.3499908477 1.4994013991 0 1.6976706332 1.0782432618 -2.5713518157 0 3.5567031403 1.6480418528 1.9848764071 0 4.0213592919 0.38601273 -2.0978052839 0 -0.2046443546 -4.4924784091 -0.9667653031 Gaussian 16 6-Sep-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 scrf=(smd,Solvent=n-Octanol) 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/ipconazole_RSR/octanol/CONF29 #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-O 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point ipconazole_RSR CONF295 octanol 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 2166.7989571363 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 -0.0616990999 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 7.700160 0.000000 6.082461 3.726935 0.000000 7.189089 4.527006 1.361107 0.000000 5.576740 5.825059 2.192835 2.257615 0.000000 7.265138 1.442348 2.547052 3.247083 4.573282 0.000000 8.584997 2.488361 3.149904 3.193337 4.993456 1.550294 0.000000 6.873501 2.389488 3.150707 3.916525 4.672626 1.548935 2.403544 0.000000 9.306328 2.923730 4.443082 4.559509 6.123002 2.419994 1.540030 2.492745 0.000000 8.331976 2.942629 4.409414 4.855994 5.894245 2.433896 2.447155 1.553623 1.547868 0.000000 9.584908 3.190786 3.804384 3.530668 5.677431 2.674287 1.546505 3.883457 2.632411 3.884835 0.000000 6.410250 2.380188 1.458848 2.471936 3.611845 1.543592 2.598566 2.632320 3.849817 3.869151 3.223673 0.000000 6.073794 2.862088 4.000620 5.052258 5.325524 2.646516 3.845400 1.543162 3.795845 2.553673 5.231001 3.376472 0.000000 10.241526 3.108583 4.861444 4.830452 6.912432 3.298189 2.620605 4.606378 3.273128 4.506501 1.538287 3.904563 5.702004 0.000000 10.792184 4.596966 4.844065 4.205916 6.380152 3.970522 2.516373 4.885220 3.102636 4.547206 1.537788 4.579089 6.351668 2.513028 0.000000 4.563642 3.742690 3.803459 5.032905 4.727489 3.399749 4.760196 2.589260 5.056176 3.915995 6.053346 3.459428 1.510398 6.610238 7.250491 0.000000 4.992446 4.700063 1.345157 2.208155 1.326364 3.578358 4.335052 3.736813 5.461292 5.125610 5.128673 2.522619 4.234044 6.188420 6.097661 3.593560 0.000000 4.027969 3.904928 4.087039 5.434039 5.104718 3.876837 5.390954 3.564220 5.892371 4.946791 6.458166 3.552801 2.541050 6.814748 7.811993 1.398377 3.857048 0.000000 4.025863 4.947214 4.103434 5.195520 4.349746 4.305723 5.462987 3.300838 5.754260 4.544694 6.821803 4.240010 2.524083 7.601327 7.863897 1.400540 3.496458 2.400296 0.000000 2.733630 5.162920 4.604499 5.933615 5.136246 5.022440 6.501697 4.766334 7.141379 6.215785 7.495005 4.371372 3.827572 7.918226 8.841148 2.436285 4.021644 1.394974 2.785614 0.000000 2.734177 5.999185 4.624383 5.718969 4.385034 5.365872 6.564364 4.571445 7.027446 5.897234 7.816499 4.955500 3.815278 8.613537 8.890301 2.437424 3.679945 2.787646 1.392753 2.425732 0.000000 6.869619 5.666651 2.097660 1.321711 1.361125 4.341011 4.359443 4.694251 5.587206 5.690643 4.800980 3.505807 5.685638 6.143397 5.301479 5.418549 2.101272 5.864077 5.245584 6.122398 5.532467 0.000000 1.769239 6.068376 4.835993 6.050830 4.779225 5.648130 7.002292 5.158421 7.618623 6.597818 8.099390 4.991391 4.304671 8.734989 9.319538 2.794441 3.922507 2.397684 2.395930 1.390296 1.391552 5.952250 0.000000 8.376471 3.368774 2.758534 2.505046 4.252789 2.105676 1.095178 2.590247 2.133798 2.781572 2.113043 2.760072 4.113490 3.498758 2.656453 4.840092 3.833683 5.593808 5.273365 6.573165 6.302677 3.519250 6.868148 0.000000 6.545461 3.312290 2.735697 3.376419 3.841797 2.139756 2.711285 1.094691 3.002362 2.172362 4.183486 2.770616 2.156898 5.187314 5.017109 2.712535 3.100545 3.817593 2.958721 4.802434 4.146976 3.916356 4.916819 2.428013 0.000000 9.924389 2.855766 5.182241 5.366106 7.027431 2.887589 2.179702 3.171446 1.092546 2.183378 2.811986 4.342594 4.232058 2.904897 3.326468 5.578289 6.267983 6.271141 6.449682 7.584361 7.734515 6.488216 8.213985 3.038724 3.897690 0.000000 10.052733 4.001108 5.026604 4.886878 6.473961 3.363285 2.188741 3.307699 1.091460 2.207922 3.013580 4.672618 4.656862 3.816649 2.921705 5.887865 6.009296 6.826718 6.413655 8.033524 7.682764 5.807734 8.392134 2.388833 3.556927 1.758160 0.000000 8.551235 4.005013 4.872084 5.194810 6.011607 3.318946 3.163002 2.186982 2.208036 1.092837 4.609394 4.615284 3.054231 5.403193 5.016688 4.288652 5.418300 5.496830 4.606455 6.678628 5.958944 5.835429 6.854209 3.168915 2.346119 2.968705 2.382672 0.000000 8.629983 3.012841 5.228663 5.809669 6.797563 3.011377 3.241559 2.181354 2.186602 1.093140 4.537308 4.479379 2.577346 4.836783 5.267861 4.078758 5.915360 5.019131 4.866651 6.363406 6.241352 6.680654 6.864020 3.777892 3.017881 2.316936 2.889624 1.756473 0.000000 9.173167 3.536961 3.264373 2.865130 5.072122 2.886998 2.136897 4.227172 3.523688 4.574184 1.095618 2.867357 5.520544 2.140902 2.131907 6.089097 4.595077 6.355768 6.794796 7.236316 7.632370 4.145194 7.813455 2.371549 4.370217 3.822386 3.923644 5.274615 5.295006 0.000000 7.134945 2.642962 2.071140 2.682522 4.169893 2.162149 2.835681 3.545731 4.228699 4.576525 2.895195 1.091682 4.334676 3.373584 4.306708 4.467991 3.232005 4.368530 5.302195 5.109571 5.939487 3.841466 5.834206 3.130295 3.762313 4.558057 5.021767 5.397858 5.146051 2.315069 0.000000 5.584420 2.554284 2.055450 3.312763 3.887974 2.159382 3.519710 2.907722 4.576139 4.310541 4.209762 1.087451 3.121558 4.672502 5.619806 2.867172 2.614119 2.620963 3.776878 3.385775 4.355082 4.126537 4.169253 3.743752 3.133167 4.986428 5.485490 5.068581 4.743778 3.881651 1.762002 0.000000 6.544292 2.436077 4.552652 5.637455 6.124752 2.801304 4.065331 2.161467 3.947775 2.883956 5.286928 3.608580 1.091945 5.455893 6.510129 2.147364 4.940670 2.654514 3.401020 4.039657 4.568796 6.420231 4.802358 4.586138 3.046799 4.101484 4.924304 3.609708 2.565904 5.639359 4.393017 3.252428 0.000000 6.495392 3.747198 4.859091 5.804851 5.951067 3.513756 4.464341 2.133268 4.083686 2.605304 5.934069 4.383355 1.095192 6.442109 6.895526 2.120804 4.988953 3.308938 2.693183 4.483719 4.043609 6.334598 4.756166 4.655461 2.564048 4.535520 4.795079 2.773952 2.463598 6.332074 5.357617 4.193864 1.754034 0.000000 8.330697 0.963309 4.016364 4.655488 6.196621 1.980061 2.619055 3.228473 3.230939 3.640188 2.812384 2.630443 3.820803 2.380778 4.268870 4.619312 5.125784 4.635598 5.813716 5.807650 6.796106 5.890323 6.772609 3.588566 4.064618 2.984298 4.241980 4.709686 3.736496 3.121768 2.481137 2.933190 3.363428 4.706012 0.000000 10.648968 3.118990 5.508880 5.571747 7.573123 3.530208 2.845070 4.594099 2.946100 4.182918 2.199420 4.475342 5.608756 1.093508 2.906500 6.707826 6.793923 7.005004 7.745595 8.217946 8.865463 6.865989 9.055506 3.835500 5.309084 2.254011 3.484046 5.083739 4.321792 3.066868 4.136773 5.162003 5.267172 6.220825 2.518105 0.000000 11.135870 4.171284 5.616207 5.404379 7.578460 4.332859 3.538643 5.662065 4.186505 5.521642 2.169746 4.772254 6.789165 1.094621 2.629122 7.659734 6.958720 7.816001 8.627172 8.865817 9.598287 6.690709 9.686551 4.274966 6.176432 3.794012 4.550572 6.363582 5.866460 2.545951 4.090203 5.563917 6.542729 7.530239 3.378857 1.763119 0.000000 9.683454 2.699868 4.679363 4.881870 6.817856 3.181252 3.028032 4.613699 3.832757 4.797688 2.210030 3.531010 5.493938 1.095728 3.472106 6.256574 5.959248 6.248411 7.347984 7.298895 8.271430 6.198683 8.229282 3.936564 5.266477 3.468583 4.572007 5.789827 5.036408 2.434515 2.872398 4.115781 5.131260 6.348225 1.791027 1.776058 1.744034 0.000000 11.493567 5.331754 5.469045 4.724466 6.957379 4.814088 3.473078 5.872098 4.150307 5.608622 2.179311 5.218455 7.308827 2.764617 1.094467 8.142357 6.739554 8.593412 8.781675 9.568367 9.742689 5.794970 10.087827 3.615333 6.003378 4.244065 3.983562 6.109121 6.288983 2.441777 4.745893 6.252072 7.413159 7.912927 4.848278 3.309724 2.432078 3.681798 0.000000 10.579095 5.075030 4.612861 3.771653 5.833049 4.165898 2.699289 4.871898 3.317580 4.593304 2.188516 4.673231 6.402579 3.479365 1.094626 7.208618 5.748579 7.883527 7.633442 8.837746 8.616170 4.685405 9.156128 2.379517 4.766716 3.839272 2.939163 4.859576 5.466997 2.509689 4.553177 5.748964 6.738617 6.881832 4.904933 3.886648 3.671662 4.342346 1.769289 0.000000 11.395241 4.803465 5.619848 5.098605 7.190205 4.341062 2.850850 5.062451 2.861587 4.389656 2.187872 5.235569 6.489208 2.760438 1.094774 7.563769 6.850327 8.212012 8.212710 9.340852 9.343529 6.176197 9.840575 3.145501 5.306411 2.885021 2.481287 4.806393 4.981832 3.057984 5.062018 6.222257 6.585616 6.905724 4.522439 2.730180 2.898120 3.827409 1.766520 1.770418 0.000000 3.981201 4.772025 2.131044 3.234042 2.152280 3.862194 4.908015 3.835347 5.904451 5.339069 5.810566 2.841408 3.919623 6.715620 6.905724 2.947961 1.077186 3.029698 2.812561 2.997740 2.782692 3.157167 2.859402 4.558420 3.322388 6.645190 6.560012 5.657450 5.982944 5.346330 3.642539 2.502645 4.594036 4.672748 5.297885 7.246532 7.555310 6.364702 7.585483 6.639209 7.592885 0.000000 4.875895 3.384027 4.376762 5.709007 5.743182 3.736474 5.284553 3.714732 5.774920 4.977223 6.204794 3.499408 2.749253 6.322346 7.641419 2.151875 4.432951 1.084854 3.387343 2.142319 3.872454 6.336742 3.377719 5.686660 4.223915 5.974033 6.791976 5.698971 4.913311 6.145967 4.129739 2.530730 2.431467 3.620160 4.019792 6.474335 7.304601 5.649635 8.368295 7.862800 8.005773 3.737608 0.000000 4.873679 5.283795 4.400312 5.293187 4.493748 4.495127 5.411706 3.248071 5.517535 4.234666 6.861600 4.667659 2.720212 7.758236 7.732259 2.154008 3.858068 3.387262 1.085179 3.870756 2.139603 5.275465 3.376200 5.106362 2.723970 6.302118 6.026605 4.047594 4.629623 6.931079 5.758052 4.427111 3.739990 2.549593 6.175050 7.835655 8.782890 7.654680 8.706809 7.404724 8.003581 3.418124 4.289706 0.000000 2.872563 5.632339 5.206358 6.527910 5.786202 5.660426 7.164243 5.614636 7.885272 7.059904 8.009540 4.874588 4.698194 8.297394 9.420618 3.417182 4.680698 2.158464 3.868643 1.083032 3.406013 6.750188 2.153108 7.308365 5.729992 8.242699 8.823925 7.609723 7.158480 7.681227 5.435629 3.818782 4.730078 5.413058 6.158414 8.643146 9.190644 7.564940 10.070073 9.489415 9.959342 3.687914 2.472735 4.953775 0.000000 2.872800 6.946808 5.235559 6.176975 4.558617 6.192900 7.263787 5.319293 7.701219 6.557656 8.535489 5.779275 4.680706 9.444428 9.500920 3.418765 4.150452 3.870578 2.157224 3.405685 1.082935 5.775160 2.154085 6.871895 4.736092 8.485996 8.251244 6.464540 6.965725 8.331324 6.765753 5.278902 5.518171 4.760012 7.745519 9.710427 10.412036 9.167566 10.360576 9.119710 9.962732 3.373878 4.955375 2.470417 4.298478 0.000000 7.719773 6.581336 3.138562 2.101968 2.154788 5.232772 5.006597 5.574000 6.184607 6.411431 5.293391 4.494806 6.650361 6.703414 5.515857 6.437179 3.143994 6.931731 6.176195 7.159618 6.428946 1.079619 6.908083 4.074073 4.752372 7.108385 6.238634 6.456378 7.449279 4.627472 4.722796 5.178790 7.409462 7.232859 6.749106 7.448695 7.132276 6.871392 5.905865 4.759726 6.408150 4.171243 7.414621 6.101347 7.782410 6.552712 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:14,15,18,19,10,20,21,9,13,12,22,17,11,16,8,23,7,6,1,5,4,3,2/E:(1,2)(3,4)(6,7)/CRV:3.3,4.3,6.3,7.3,11.3,12.3,14.3,16.3,20.2,21.2/rA:47ClONN2N2CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s7;s3s6;s8;s11;s11;s13;s3s5;s16;s16;s18;s19;s4s5;s1s20s21;s7;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s2;s14;s14;s14;s15;s15;s15;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4437764 0.1443903 0.1257701 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= 1.08D-06 NBF= 1121 NBsUse= 1117 1.00D-06 EigRej= 8.22D-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= 1246 1246 1246 1246 1246 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1400.40881172973 -1400.46687950970 -0.058067779964 -1400.46683893804 0.000040571655 -1400.46715616291 -0.000317224868 -1400.46718451688 -0.000028353968 -1400.46718820638 -0.000003689506 -1400.46718851747 -0.000000311087 -1400.46718854083 -0.000000023361 -1400.46718854544 -0.000000004606 -1400.46718854553 -0.000000000090 -1400.46718854561 -0.000000000088 -1400.46718854565 -0.000000000035 -1400.46718855 12 1.394817447117e+03 -7.612038525832e+03 2.650022354784e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4243520709 LenY= 4241934369 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. PT52644.800S Mon Sep 6 06:00:29 2021 GINC-DEPAZ20 PAULAPLA 06-Sep-2021 0 Single Point ipconazole_RSRCONF295 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1400.4671885 RMSD=3.019e-09 Dipole=-1.7155733,1.0085301,0.4524999 Quadrupole=-7.1779374,-5.2047344,12.3826718,3.7757252,-1.3879973,-0.9949901 PG=C01 [X(C18H24Cl1N3O1)] 0 5.5737946093 0.4626628681 0.3181928149 0 -2.0133397782 1.4637373419 1.1700770004 0 -0.1303711237 -1.6485399599 0.3587783177 0 -0.8458658329 -2.7610571897 0.0378668797 0 1.2897803629 -2.9699959036 -0.6636939887 0 -1.6906310501 0.3636657601 0.2948233041 0 -2.9533755239 -0.3755576522 -0.2174636047 0 -1.1488674471 1.0008032511 -1.0089208295 0 -3.6151770031 0.6637972462 -1.1412883796 0 -2.4366737139 1.4676892353 -1.7419396489 0 -3.8703783451 -1.1034240792 0.7929785489 0 -0.7123717666 -0.527801935 1.089160623 0 -0.1354525801 2.156897282 -0.8755567845 0 -4.5253699471 -0.226670235 1.8740037167 0 -4.9577800978 -1.8768589905 0.0286827541 0 1.2881490966 1.7565311899 -0.5683617043 0 1.1387044263 -1.7979523037 -0.0614232159 0 1.8375778186 1.9164857211 0.7075691426 0 2.0972914144 1.2068009409 -1.5706573512 0 3.1460953549 1.5243586468 0.9903608101 0 3.408545231 0.8137070548 -1.3140414799 0 0.0468893498 -3.5179246116 -0.5761844035 0 3.9153133833 0.9724936417 -0.0278105546 0 -2.5573115902 -1.1680384641 -0.8612984663 0 -0.6830520229 0.1951173217 -1.5853184651 0 -4.2732567716 1.3228651171 -0.5701332305 0 -4.2252385611 0.183876473 -1.9086123566 0 -2.335456611 1.3138234715 -2.8191457089 0 -2.5832635447 2.5396430667 -1.5857943327 0 -3.2488603352 -1.8477465991 1.3029569036 0 -1.227534817 -0.9320042068 1.9626572225 0 0.1169308769 0.0808214969 1.4418417071 0 -0.4980708264 2.8632732474 -0.1259665918 0 -0.1366291774 2.6879531306 -1.8333790751 0 -2.5803604012 1.1462800092 1.8811830481 0 -5.0128496858 0.6566021972 1.4521577866 0 -5.2917213363 -0.8009325265 2.4042138344 0 -3.8191342847 0.1020424736 2.6445875806 0 -5.5168828655 -2.5285834206 0.7072965817 0 -4.523851861 -2.5036678419 -0.7568256427 0 -5.6745187124 -1.1957060526 -0.4412598931 0 1.8979559794 -1.0501743803 0.0957248871 0 1.235927419 2.3499908477 1.4994013991 0 1.6976706332 1.0782432618 -2.5713518157 0 3.5567031403 1.6480418528 1.9848764071 0 4.0213592919 0.38601273 -2.0978052839 0 -0.2046443546 -4.4924784091 -0.9667653031