Gaussian 16 GINC-GANDULLAS ALCAMI Optimization Etoxazole CONF6 octanol EM64L-G16RevC.01 23-Aug-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 49 49 95 95 710 (5D, 7F) 6-311+G(d,p) 141 141 C1[X(C21H23F2NO2)] C1[X(C21H23F2NO2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 336.22700639999977 0 1 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.5798,2.2665,-.6893;4.6242,-1.759,.5856;1.9668,-1.3096,.9166;-2.1645,-2.367,-.206;1.345,-.3004,-.984;-4.7445,1.8629,.2513;-3.4609,1.0724,.0149;.2105,-1.1389,-.6282;-1.0509,-.3396,-.4175;-5.9579,.9603,.4726;-5.025,2.7511,-.9671;-4.5725,2.7445,1.4943;-3.4385,-.322,.0124;-2.2536,-1.0193,-.2013;-2.2609,1.7439,-.2021;.6819,-1.8894,.6421;-1.0805,1.0453,-.4141;2.2217,-.4604,-.0886;3.5261,.2152,-.0447;-3.3291,-3.153,.0031;3.6644,1.5649,-.3593;4.6943,-.456,.3075;-2.9226,-4.6048,-.0565;4.8779,2.2199,-.3223;5.9282,.1575,.3543;6.009,1.5042,.0375;.0432,-1.8493,-1.4425;-6.8463,1.5726,.6375;-5.8422,.3187,1.3484;-6.1625,.322,-.3893;-5.9404,3.3277,-.8157;-5.1559,2.1546,-1.8722;-4.2193,3.463,-1.1529;-4.3725,2.1425,2.383;-5.4816,3.3204,1.6826;-3.7529,3.4563,1.385;-4.354,-.8707,.18;-2.2306,2.8263,-.2082;.0434,-1.734,1.5113;.8091,-2.9598,.4802;-.1624,1.5942,-.5778;-3.7746,-2.9212,.9762;-4.0778,-2.9333,-.7653;-2.1909,-4.8478,.7151;-2.5008,-4.8627,-1.0287;-3.7982,-5.2339,.1044;4.9328,3.2718,-.5678;6.8068,-.4112,.6278;6.9678,2.0033,.0696; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6461598/Gau-1982467.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6461598/" chk=opt-b3lyp-pople.chk #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 Etoxazole CONF6 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 48 49 19 19 16 16 14 12 12 12 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 18.9984033 18.9984033 15.9949146 15.9949146 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 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 1 0 0 2 0 0 0 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 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 1 2 3 3 4 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 15 15 16 16 17 18 19 19 20 20 20 21 22 23 23 23 24 24 25 25 26 21 22 16 18 14 20 8 18 7 10 11 12 13 15 9 16 27 14 17 28 29 30 31 32 33 34 35 36 14 37 17 38 39 40 41 19 21 22 23 42 43 24 25 44 45 46 26 47 26 48 49 1.3332 1.3341 1.4361 1.3403 1.3507 1.4205 1.4549 1.2633 1.526 1.5284 1.5336 1.5336 1.3946 1.3921 1.5081 1.5489 1.0935 1.3983 1.3852 1.0915 1.0918 1.0919 1.0924 1.0919 1.0911 1.0919 1.0924 1.091 1.3914 1.0804 1.3878 1.0829 1.0896 1.09 1.0821 1.4696 1.3928 1.3926 1.5088 1.0951 1.0951 1.3795 1.3788 1.0908 1.0907 1.0901 1.386 1.0816 1.3858 1.0818 1.0814 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 16 14 8 7 7 7 10 10 11 6 6 13 5 5 5 9 9 16 8 8 14 6 6 6 28 28 29 6 6 6 31 31 32 6 6 6 34 34 35 7 7 14 4 4 9 7 7 17 3 3 3 8 8 39 9 9 15 3 3 5 18 18 21 4 4 4 23 23 42 1 1 19 2 2 19 20 20 20 44 44 45 21 21 26 22 22 26 24 24 25 3 4 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 26 26 26 18 20 18 10 11 12 11 12 12 13 15 15 9 16 27 16 27 27 14 17 17 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 9 13 13 17 38 38 8 39 40 39 40 40 15 41 41 5 19 19 21 22 22 23 42 43 42 43 43 19 24 24 19 25 25 44 45 46 45 46 46 26 47 47 26 48 48 25 49 49 106.4165 119.8393 107.1455 112.5986 109.3153 109.2123 108.1719 108.1301 109.3615 122.123 119.9586 117.9179 112.3941 104.0343 108.1558 113.374 108.6893 110.0259 118.907 123.2394 117.8508 109.6792 112.277 112.3199 107.1363 107.137 108.0307 110.4174 111.3566 112.2186 107.6164 107.3357 107.6884 111.3042 110.454 112.2135 107.6268 107.6733 107.3635 120.9949 119.6 119.4051 115.3255 123.8297 120.8422 120.9415 120.474 118.5844 103.4967 108.3151 108.6878 114.0032 112.9244 109.0818 121.4526 119.2424 119.3048 118.6744 115.9555 125.3701 121.7927 122.0434 116.1635 107.8029 110.3144 110.2523 110.3937 110.4577 107.6343 119.0177 118.1948 122.7776 118.6464 118.3277 123.0103 111.5399 111.5287 109.453 108.5646 107.8084 107.8048 118.669 120.0167 121.3139 118.4826 120.0988 121.4176 120.896 119.5376 119.5663 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 18 18 18 16 16 20 20 14 14 14 18 18 18 8 8 10 10 11 11 12 12 7 7 7 11 11 11 12 12 12 7 7 7 10 10 10 12 12 12 7 7 7 10 10 10 11 11 11 6 6 15 15 6 6 13 13 5 5 16 16 27 27 5 5 5 9 9 9 27 27 27 8 8 17 17 8 8 14 14 7 7 37 37 7 7 38 38 3 3 5 5 18 18 22 22 18 18 21 21 4 4 4 42 42 42 43 43 43 1 1 19 19 2 2 19 19 21 21 47 47 22 22 48 48 3 3 3 3 3 4 4 4 4 4 5 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 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 13 13 13 13 15 15 15 15 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 25 16 16 16 18 18 14 14 20 20 20 8 8 8 18 18 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 15 15 15 15 9 9 9 9 9 9 16 16 16 16 16 16 16 16 16 14 14 14 14 17 17 17 17 14 14 14 14 17 17 17 17 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 26 26 8 39 40 5 19 9 13 23 42 43 9 16 27 3 19 13 15 13 15 13 15 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 14 37 14 37 17 38 17 38 14 17 14 17 14 17 3 39 40 3 39 40 3 39 40 4 13 4 13 15 41 15 41 4 9 4 9 9 41 9 41 21 22 21 22 1 24 1 24 2 25 2 25 44 45 46 44 45 46 44 45 46 26 47 26 47 26 48 26 48 25 49 25 49 24 49 24 49 -4.2887 -125.6285 115.9802 2.4695 -177.5773 -179.9455 0.6311 179.9821 -59.4109 59.3339 119.5805 -3.4641 -120.4291 0.8219 -179.1266 -0.1683 -179.9001 -120.4228 59.8454 119.9628 -59.769 179.9347 60.9435 -61.0459 -59.1543 -178.1455 59.865 59.1812 -59.81 178.2006 -179.8723 60.6361 -60.1698 57.1977 -62.2939 176.9002 -60.3499 -179.8415 59.3526 -60.5024 -179.9971 60.2435 62.3379 -57.1569 -176.9163 179.9118 60.417 -59.3424 -179.7843 0.142 -0.0473 179.879 179.7456 -0.2194 0.0027 -179.9624 173.6997 -6.9253 -68.6664 110.7086 54.0191 -126.6058 4.69 122.1184 -112.6504 -117.7109 -0.2825 124.9487 120.346 -122.2257 3.0056 -0.1591 179.283 -179.568 -0.1258 -179.2995 0.5368 0.0817 179.918 179.5043 0.1113 -0.4222 -179.8151 -0.0214 -179.8576 179.9442 0.108 -138.4224 41.8423 41.5273 -138.208 1.0337 179.8654 -179.2163 -0.3845 1.4211 179.9581 -178.3283 0.2088 60.5976 -60.9804 179.8143 -59.9596 178.4624 59.2571 -178.8831 59.5389 -59.6664 179.1218 -0.664 0.2809 -179.5048 178.6046 -1.0304 0.0631 -179.5718 0.0145 179.9064 179.7974 -0.3107 -0.1798 179.9283 179.4501 -0.4418 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 736 A 710 A 1120 736 2317.7420230133 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=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= 710 RedAO= T EigKep= 1.20D-06 NBF= 710 NBsUse= 704 1.00D-06 EigRej= 8.77D-07 NBFU= 704 Berny optimization. local minimum Step number 12 out of a maximum of 275 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00159 0.00297 0.00324 0.00324 0.00393 0.00447 0.00651 0.00669 0.01419 0.01450 0.01590 0.01851 0.02088 0.02159 0.02175 0.02187 0.02188 0.02209 0.02230 0.02251 0.02274 0.02275 0.02293 0.02299 0.02323 0.02326 0.02329 0.02338 0.02392 0.02879 0.04700 0.05002 0.05079 0.05228 0.05343 0.05372 0.05428 0.05430 0.05543 0.05576 0.05578 0.05645 0.05681 0.05768 0.05806 0.05889 0.06048 0.08004 0.10513 0.11242 0.11356 0.13595 0.14942 0.15223 0.15814 0.15861 0.15985 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16002 0.16013 0.16026 0.16044 0.16071 0.16904 0.20099 0.20930 0.21904 0.22140 0.22437 0.23514 0.23588 0.24316 0.24640 0.24926 0.24970 0.24996 0.25058 0.25155 0.25346 0.26517 0.28348 0.28896 0.29105 0.29730 0.29931 0.30917 0.31530 0.31823 0.33447 0.34230 0.34377 0.34484 0.34537 0.34559 0.34592 0.34596 0.34603 0.34635 0.34656 0.34693 0.34721 0.34730 0.34802 0.34838 0.34858 0.35258 0.35664 0.35762 0.35786 0.35805 0.35846 0.36037 0.36460 0.38260 0.40781 0.42617 0.43005 0.43895 0.44547 0.46635 0.46871 0.47421 0.47626 0.47812 0.48395 0.48959 0.51992 0.53490 0.55333 0.56898 0.58640 0.75311 -7.20302425e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 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 2.55705 2.56017 2.76147 2.57116 2.58813 2.72076 2.79278 2.40281 2.90734 2.90691 2.91973 2.91966 2.64875 2.64523 2.86552 2.93341 2.06199 2.65446 2.63033 2.06698 2.06755 2.06728 2.06915 2.06814 2.06507 2.06819 2.06907 2.06497 2.64061 2.03852 2.63477 2.04741 2.05562 2.06253 2.04759 2.78695 2.64026 2.64014 2.86044 2.07051 2.07057 2.61501 2.61334 2.06619 2.06604 2.06664 2.63233 2.04566 2.63320 2.04576 2.04699 1.83985 2.08770 1.86450 1.96551 1.90619 1.90791 1.88838 1.88807 1.90702 2.13250 2.09401 2.05668 1.95851 1.80917 1.89954 1.97759 1.89873 1.91792 2.06921 2.15665 2.05702 1.91068 1.95269 1.95258 1.87698 1.87678 1.89107 1.92343 1.93488 1.95050 1.88672 1.88198 1.88419 1.93487 1.92340 1.95093 1.88653 1.88452 1.88142 2.11094 2.09552 2.07673 2.01058 2.16162 2.11094 2.11277 2.09848 2.07194 1.80287 1.88362 1.87934 1.99546 1.96662 1.92648 2.11800 2.07602 2.08916 2.07170 2.01741 2.19400 2.13045 2.13178 2.02096 1.87173 1.90962 1.90963 1.93795 1.93969 1.89496 2.07117 2.06245 2.14933 2.06432 2.06571 2.15286 1.93343 1.93411 1.91378 1.89722 1.89194 1.89235 2.06921 2.08515 2.12881 2.06633 2.08697 2.12987 2.10767 2.08760 2.08792 -0.22159 -2.34088 1.86261 0.12129 -3.03255 -3.13772 0.01362 -3.13819 -1.03466 1.03938 1.95371 -0.18640 -2.22709 0.04958 -3.07842 0.00839 -3.13361 -2.08999 1.05120 2.10756 -1.03444 3.14029 1.06137 -1.06429 -1.03429 -3.11321 1.04432 1.02974 -1.04918 3.10835 3.14024 1.05214 -1.05069 0.99514 -1.09295 3.08740 -1.05676 3.13833 1.03550 -1.05098 -3.13880 1.05257 1.09498 -0.99284 -3.08466 -3.13610 1.05926 -1.03256 3.14097 -0.00292 -0.00023 3.13907 -3.13918 0.00174 0.00202 -3.14024 2.99009 -0.17896 -1.25144 1.86270 0.88724 -2.28181 0.24669 2.28864 -1.77630 -1.88074 0.16121 2.37946 2.27446 -1.96678 0.25147 -0.00708 3.12507 -3.12280 0.00935 -3.12190 0.02363 -0.00759 3.13795 3.12573 -0.00558 -0.01359 3.13828 0.00199 3.13961 -3.13894 -0.00132 -2.25294 0.88784 0.87543 -2.26698 0.02247 3.14045 -3.11836 -0.00037 0.02281 3.13790 -3.11956 -0.00446 1.05323 -1.05411 3.14069 -1.03222 -3.13956 1.05524 3.13968 1.03234 -1.05604 3.12175 -0.01520 0.00366 -3.13329 3.12082 -0.01471 0.00575 -3.12978 -0.00233 3.13873 3.13449 -0.00763 -0.00216 3.13996 3.13321 -0.00785 0.00001 0.00001 0.00002 -0.00004 -0.00002 0.00004 -0.00004 -0.00006 -0.00002 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 0.00000 -0.00003 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00003 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00002 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 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 0.00011 0.00012 0.00016 0.00003 0.00009 0.00018 0.00000 -0.00014 -0.00006 -0.00002 -0.00001 -0.00002 -0.00004 -0.00005 -0.00006 -0.00012 -0.00000 -0.00005 -0.00001 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 -0.00003 -0.00003 -0.00007 -0.00000 -0.00005 -0.00000 -0.00001 -0.00005 -0.00001 -0.00005 -0.00004 -0.00005 -0.00001 -0.00005 -0.00005 -0.00006 -0.00006 -0.00002 -0.00003 -0.00004 -0.00003 -0.00001 -0.00003 -0.00001 -0.00001 -0.00003 -0.00013 0.00010 0.00003 -0.00001 0.00002 -0.00001 -0.00003 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00008 -0.00004 0.00006 0.00004 0.00003 0.00001 -0.00004 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00002 -0.00002 -0.00001 -0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00003 0.00001 0.00000 0.00002 0.00000 -0.00004 0.00001 0.00003 -0.00005 -0.00002 0.00006 0.00002 -0.00002 0.00001 0.00004 -0.00005 -0.00009 -0.00008 0.00008 0.00009 -0.00001 0.00001 0.00000 -0.00001 -0.00005 0.00006 0.00002 0.00012 -0.00015 -0.00007 -0.00006 -0.00006 0.00003 0.00004 0.00011 -0.00003 -0.00008 0.00011 -0.00002 -0.00009 0.00011 -0.00001 -0.00001 0.00002 0.00001 -0.00000 -0.00000 -0.00003 -0.00001 0.00004 -0.00003 -0.00001 0.00004 -0.00002 0.00001 0.00001 0.00028 0.00038 0.00034 -0.00007 -0.00022 -0.00004 -0.00002 0.00002 -0.00002 0.00005 0.00030 0.00034 0.00032 -0.00020 -0.00003 0.00025 0.00026 0.00025 0.00026 0.00025 0.00026 0.00002 0.00003 0.00001 0.00002 0.00003 0.00001 -0.00001 -0.00000 -0.00002 -0.00000 0.00000 -0.00001 -0.00003 -0.00002 -0.00003 0.00002 0.00002 0.00001 -0.00007 -0.00005 -0.00004 -0.00004 -0.00002 -0.00001 -0.00007 -0.00005 -0.00004 -0.00003 -0.00004 -0.00004 -0.00005 0.00003 -0.00002 0.00004 -0.00001 -0.00013 -0.00021 -0.00014 -0.00022 -0.00007 -0.00015 -0.00038 -0.00046 -0.00033 -0.00037 -0.00044 -0.00032 -0.00045 -0.00053 -0.00040 -0.00002 -0.00004 0.00005 0.00003 0.00004 0.00004 -0.00004 -0.00004 -0.00002 0.00001 -0.00001 0.00001 0.00000 0.00001 0.00005 0.00005 -0.00011 -0.00011 -0.00027 -0.00027 -0.00005 -0.00002 -0.00004 -0.00002 0.00003 0.00005 0.00002 0.00004 0.00002 0.00003 0.00002 0.00011 0.00012 0.00011 -0.00008 -0.00007 -0.00007 0.00002 0.00003 -0.00001 0.00000 -0.00002 -0.00000 -0.00004 -0.00002 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00007 -0.00007 -0.00008 -0.00006 -0.00009 -0.00006 -0.00010 0.00005 0.00000 -0.00001 -0.00001 -0.00003 0.00003 0.00003 0.00003 0.00005 0.00002 0.00003 0.00001 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00003 0.00001 0.00003 0.00000 0.00002 0.00004 0.00001 0.00004 0.00004 0.00003 -0.00004 0.00002 0.00002 0.00003 0.00004 0.00001 0.00001 0.00003 0.00003 0.00000 0.00002 0.00000 0.00001 0.00003 0.00008 -0.00003 -0.00002 -0.00002 0.00003 0.00000 -0.00000 0.00001 -0.00000 0.00003 -0.00003 0.00002 0.00002 0.00004 0.00007 -0.00009 -0.00006 0.00003 -0.00005 0.00002 0.00003 0.00003 0.00004 -0.00002 -0.00004 -0.00004 0.00005 0.00003 0.00003 -0.00004 -0.00004 -0.00004 0.00004 0.00004 0.00006 -0.00004 -0.00005 -0.00005 0.00005 -0.00006 0.00001 0.00004 0.00001 -0.00005 -0.00001 0.00004 -0.00003 -0.00003 0.00002 0.00007 0.00010 0.00000 -0.00014 0.00002 0.00002 -0.00004 0.00001 -0.00000 -0.00000 -0.00001 -0.00005 0.00006 0.00006 0.00000 0.00000 -0.00001 -0.00001 -0.00004 0.00003 0.00002 -0.00005 0.00002 0.00003 -0.00005 0.00006 0.00006 -0.00002 -0.00000 -0.00005 -0.00005 0.00002 0.00003 -0.00005 0.00002 0.00002 -0.00004 -0.00000 0.00000 0.00000 0.00005 -0.00006 0.00007 -0.00012 0.00006 -0.00008 -0.00009 0.00013 0.00016 0.00011 0.00001 -0.00010 -0.00006 0.00015 -0.00006 0.00018 0.00014 0.00020 0.00016 0.00018 0.00014 -0.00005 -0.00006 -0.00005 -0.00008 -0.00009 -0.00008 -0.00006 -0.00008 -0.00007 -0.00007 -0.00008 -0.00007 -0.00003 -0.00004 -0.00003 -0.00004 -0.00004 -0.00004 -0.00003 -0.00003 -0.00003 -0.00004 -0.00005 -0.00004 -0.00003 -0.00004 -0.00004 -0.00005 -0.00004 -0.00000 0.00001 0.00007 0.00006 0.00002 0.00002 0.00001 0.00006 0.00009 0.00014 0.00000 0.00006 0.00003 0.00008 -0.00003 -0.00004 0.00001 -0.00010 0.00006 0.00011 -0.00000 0.00008 0.00009 0.00003 0.00004 -0.00007 -0.00003 -0.00002 0.00002 -0.00001 -0.00003 -0.00002 -0.00004 -0.00001 -0.00006 -0.00001 -0.00005 -0.00010 -0.00013 0.00010 0.00007 -0.00002 -0.00005 0.00001 -0.00002 0.00002 0.00003 -0.00000 0.00001 0.00007 -0.00000 0.00004 0.00004 -0.00003 0.00001 0.00011 0.00003 0.00007 -0.00001 -0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00002 0.00000 -0.00001 0.00004 0.00005 0.00008 -0.00003 0.00000 0.00013 -0.00010 -0.00009 -0.00006 -0.00003 -0.00002 -0.00004 -0.00000 -0.00002 -0.00002 -0.00006 0.00001 -0.00002 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00004 0.00000 -0.00002 0.00000 0.00001 -0.00002 -0.00000 -0.00001 0.00000 -0.00002 -0.00005 -0.00003 -0.00003 -0.00003 -0.00003 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00006 0.00007 0.00000 -0.00003 0.00005 -0.00000 -0.00003 0.00001 -0.00001 0.00003 -0.00002 0.00002 0.00003 -0.00004 0.00004 -0.00003 -0.00001 0.00006 -0.00004 -0.00002 0.00002 0.00003 0.00005 -0.00002 -0.00004 -0.00003 0.00003 0.00003 0.00002 -0.00004 -0.00003 -0.00002 0.00003 0.00001 0.00006 -0.00003 -0.00003 -0.00005 0.00001 -0.00005 0.00004 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00003 -0.00002 0.00001 0.00008 -0.00005 0.00000 0.00003 -0.00004 -0.00000 -0.00006 0.00006 0.00002 0.00007 -0.00008 -0.00001 -0.00005 -0.00005 0.00003 0.00002 0.00007 -0.00001 -0.00005 0.00006 -0.00000 -0.00005 0.00006 0.00005 0.00004 0.00000 0.00001 -0.00005 -0.00005 -0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00033 0.00032 0.00041 -0.00019 -0.00015 -0.00013 -0.00012 0.00015 0.00014 0.00016 0.00032 0.00024 0.00026 -0.00005 -0.00009 0.00043 0.00040 0.00045 0.00042 0.00043 0.00040 -0.00003 -0.00003 -0.00004 -0.00006 -0.00006 -0.00008 -0.00008 -0.00008 -0.00009 -0.00008 -0.00007 -0.00007 -0.00006 -0.00006 -0.00006 -0.00002 -0.00002 -0.00002 -0.00010 -0.00009 -0.00008 -0.00008 -0.00007 -0.00006 -0.00010 -0.00009 -0.00008 -0.00008 -0.00007 -0.00005 -0.00004 0.00009 0.00004 0.00006 0.00001 -0.00012 -0.00015 -0.00005 -0.00008 -0.00006 -0.00009 -0.00035 -0.00037 -0.00037 -0.00041 -0.00043 -0.00043 -0.00039 -0.00041 -0.00040 0.00005 0.00005 0.00008 0.00007 -0.00003 0.00001 -0.00006 -0.00002 -0.00003 -0.00002 -0.00003 -0.00003 -0.00001 -0.00005 0.00004 -0.00000 -0.00021 -0.00025 -0.00017 -0.00020 -0.00007 -0.00008 -0.00004 -0.00004 0.00005 0.00008 0.00002 0.00005 0.00009 0.00002 0.00006 0.00015 0.00009 0.00012 0.00003 -0.00003 0.00000 0.00001 0.00002 0.00002 0.00002 -0.00000 0.00000 -0.00003 -0.00002 0.00001 0.00002 0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 2.55709 2.56023 2.76155 2.57112 2.58813 2.72089 2.79268 2.40272 2.90728 2.90688 2.91971 2.91961 2.64875 2.64521 2.86549 2.93334 2.06200 2.65444 2.63033 2.06697 2.06754 2.06728 2.06915 2.06813 2.06507 2.06818 2.06906 2.06496 2.64057 2.03853 2.63475 2.04741 2.05563 2.06252 2.04759 2.78694 2.64027 2.64011 2.86039 2.07047 2.07054 2.61498 2.61331 2.06617 2.06603 2.06664 2.63233 2.04565 2.63319 2.04575 2.04698 1.83984 2.08764 1.86457 1.96551 1.90616 1.90796 1.88838 1.88804 1.90702 2.13249 2.09403 2.05666 1.95853 1.80920 1.89950 1.97762 1.89870 1.91791 2.06926 2.15661 2.05700 1.91070 1.95271 1.95262 1.87696 1.87674 1.89104 1.92347 1.93491 1.95052 1.88669 1.88195 1.88416 1.93490 1.92341 1.95099 1.88649 1.88450 1.88138 2.11095 2.09547 2.07677 2.01058 2.16162 2.11095 2.11278 2.09849 2.07192 1.80288 1.88359 1.87931 1.99547 1.96670 1.92643 2.11800 2.07605 2.08913 2.07170 2.01735 2.19406 2.13047 2.13184 2.02087 1.87172 1.90956 1.90957 1.93798 1.93972 1.89503 2.07116 2.06239 2.14939 2.06431 2.06566 2.15292 1.93348 1.93415 1.91378 1.89723 1.89189 1.89230 2.06920 2.08518 2.12880 2.06632 2.08699 2.12986 2.10765 2.08761 2.08793 -0.22127 -2.34056 1.86302 0.12109 -3.03270 -3.13785 0.01350 -3.13804 -1.03452 1.03954 1.95403 -0.18616 -2.22683 0.04953 -3.07851 0.00882 -3.13321 -2.08954 1.05162 2.10799 -1.03404 3.14026 1.06134 -1.06433 -1.03435 -3.11327 1.04424 1.02966 -1.04926 3.10826 3.14016 1.05207 -1.05077 0.99508 -1.09301 3.08734 -1.05679 3.13831 1.03547 -1.05108 -3.13889 1.05249 1.09490 -0.99291 -3.08471 -3.13620 1.05917 -1.03264 3.14089 -0.00299 -0.00027 3.13903 -3.13909 0.00179 0.00209 -3.14022 2.98997 -0.17911 -1.25149 1.86262 0.88718 -2.28190 0.24634 2.28826 -1.77666 -1.88115 0.16077 2.37903 2.27407 -1.96720 0.25106 -0.00703 3.12512 -3.12272 0.00942 -3.12193 0.02363 -0.00764 3.13793 3.12570 -0.00561 -0.01363 3.13825 0.00198 3.13957 -3.13891 -0.00132 -2.25315 0.88759 0.87526 -2.26718 0.02240 3.14037 -3.11839 -0.00042 0.02286 3.13798 -3.11953 -0.00441 1.05332 -1.05409 3.14075 -1.03207 -3.13947 1.05536 3.13971 1.03231 -1.05604 3.12176 -0.01518 0.00368 -3.13327 3.12082 -0.01470 0.00572 -3.12980 -0.00232 3.13874 3.13450 -0.00762 -0.00216 3.13995 3.13320 -0.00786 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000058 0.000008 0.001205 0.000317 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.342017e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 1 2 3 3 4 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 15 15 16 16 17 18 19 19 20 20 20 21 22 23 23 23 24 24 25 25 26 21 22 16 18 14 20 8 18 7 10 11 12 13 15 9 16 27 14 17 28 29 30 31 32 33 34 35 36 14 37 17 38 39 40 41 19 21 22 23 42 43 24 25 44 45 46 26 47 26 48 49 1.3531 1.3548 1.4613 1.3606 1.3696 1.4398 1.4779 1.2715 1.5385 1.5383 1.5451 1.545 1.4017 1.3998 1.5164 1.5523 1.0912 1.4047 1.3919 1.0938 1.0941 1.094 1.0949 1.0944 1.0928 1.0944 1.0949 1.0927 1.3974 1.0787 1.3943 1.0834 1.0878 1.0914 1.0835 1.4748 1.3972 1.3971 1.5137 1.0957 1.0957 1.3838 1.3829 1.0934 1.0933 1.0936 1.393 1.0825 1.3934 1.0826 1.0832 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 16 14 8 7 7 7 10 10 11 6 6 13 5 5 5 9 9 16 8 8 14 6 6 6 28 28 29 6 6 6 31 31 32 6 6 6 34 34 35 7 7 14 4 4 9 7 7 17 3 3 3 8 8 39 9 9 15 3 3 5 18 18 21 4 4 4 23 23 42 1 1 19 2 2 19 20 20 20 44 44 45 21 21 26 22 22 26 24 24 25 3 4 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 26 26 26 18 20 18 10 11 12 11 12 12 13 15 15 9 16 27 16 27 27 14 17 17 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 9 13 13 17 38 38 8 39 40 39 40 40 15 41 41 5 19 19 21 22 22 23 42 43 42 43 43 19 24 24 19 25 25 44 45 46 45 46 46 26 47 47 26 48 48 25 49 49 105.4154 119.6166 106.8279 112.6152 109.2166 109.3151 108.1961 108.1786 109.2642 122.1834 119.9776 117.8389 112.2143 103.6577 108.8356 113.3074 108.789 109.8886 118.5568 123.567 117.8584 109.4739 111.8807 111.8743 107.543 107.5317 108.3504 110.2045 110.8606 111.7555 108.1013 107.8295 107.9559 110.8601 110.2026 111.78 108.0901 107.9753 107.7977 120.9477 120.0644 118.9878 115.198 123.8517 120.948 121.0528 120.234 118.7133 103.2967 107.9233 107.678 114.3314 112.6791 110.379 121.3523 118.9471 119.7002 118.6998 115.5889 125.7071 122.0659 122.1417 115.7923 107.2424 109.4131 109.4135 111.0363 111.1361 108.5732 118.6693 118.1696 123.1478 118.2767 118.3565 123.35 110.7776 110.8163 109.6515 108.7028 108.4004 108.4237 118.5569 119.4705 121.972 118.3918 119.5748 122.0324 120.7604 119.6107 119.6289 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 18 18 18 16 16 20 20 14 14 14 18 18 18 8 8 10 10 11 11 12 12 7 7 7 11 11 11 12 12 12 7 7 7 10 10 10 12 12 12 7 7 7 10 10 10 11 11 11 6 6 15 15 6 6 13 13 5 5 16 16 27 27 5 5 5 9 9 9 27 27 27 8 8 17 17 8 8 14 14 7 7 37 37 7 7 38 38 3 3 5 5 18 18 22 22 18 18 21 21 4 4 4 42 42 42 43 43 43 1 1 19 19 2 2 19 19 21 21 47 47 22 22 48 3 3 3 3 3 4 4 4 4 4 5 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 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 13 13 13 13 15 15 15 15 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 16 16 16 18 18 14 14 20 20 20 8 8 8 18 18 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 15 15 15 15 9 9 9 9 9 9 16 16 16 16 16 16 16 16 16 14 14 14 14 17 17 17 17 14 14 14 14 17 17 17 17 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 26 8 39 40 5 19 9 13 23 42 43 9 16 27 3 19 13 15 13 15 13 15 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 14 37 14 37 17 38 17 38 14 17 14 17 14 17 3 39 40 3 39 40 3 39 40 4 13 4 13 15 41 15 41 4 9 4 9 9 41 9 41 21 22 21 22 1 24 1 24 2 25 2 25 44 45 46 44 45 46 44 45 46 26 47 26 47 26 48 26 48 25 49 25 49 24 49 24 -12.6963 -134.1223 106.7199 6.9491 -173.752 -179.7783 0.7802 -179.8048 -59.2819 59.552 111.9395 -10.68 -127.6028 2.8406 -176.3805 0.4806 -179.5427 -119.7475 60.2291 120.7541 -59.2692 179.9255 60.812 -60.9791 -59.2602 -178.3737 59.8352 58.9998 -60.1137 178.0951 179.9222 60.283 -60.2002 57.0176 -62.6217 176.8951 -60.548 179.8128 59.3296 -60.2165 -179.8401 60.3078 62.738 -56.8857 -176.7378 -179.6855 60.6909 -59.1612 179.9641 -0.1674 -0.0131 179.8554 -179.8617 0.0999 0.116 -179.9224 171.3195 -10.2535 -71.702 106.725 50.835 -130.738 14.1345 131.1293 -101.7742 -107.7583 9.2365 136.333 130.3168 -112.6884 14.4081 -0.4059 179.0533 -178.9235 0.5358 -178.872 1.3538 -0.4347 179.791 179.091 -0.3198 -0.7789 179.8103 0.114 179.8866 -179.8482 -0.0756 -129.0839 50.8692 50.1586 -129.8882 1.2873 179.9345 -178.6686 -0.0215 1.3068 179.7884 -178.7373 -0.2557 60.3454 -60.3961 179.948 -59.1419 -179.8834 60.4607 179.8905 59.149 -60.5069 178.8632 -0.8706 0.2096 -179.5242 178.81 -0.8425 0.3295 -179.323 -0.1335 179.8359 179.5933 -0.4373 -0.124 179.9067 179.5196 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0505045105 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 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.5798,2.2665,-.6893;4.6242,-1.759,.5856;1.9668,-1.3096,.9166;-2.1645,-2.367,-.206;1.345,-.3004,-.984;-4.7445,1.8629,.2513;-3.4609,1.0724,.0149;.2105,-1.1389,-.6282;-1.0509,-.3396,-.4175;-5.9579,.9603,.4726;-5.025,2.7511,-.9671;-4.5726,2.7445,1.4943;-3.4385,-.322,.0124;-2.2536,-1.0193,-.2013;-2.2609,1.7439,-.2021;.6819,-1.8894,.6421;-1.0805,1.0453,-.4141;2.2217,-.4604,-.0886;3.5261,.2152,-.0448;-3.3291,-3.153,.0031;3.6644,1.5649,-.3593;4.6943,-.456,.3075;-2.9226,-4.6048,-.0565;4.8779,2.2198,-.3223;5.9282,.1575,.3543;6.009,1.5042,.0375;.0432,-1.8493,-1.4425;-6.8463,1.5726,.6375;-5.8422,.3187,1.3484;-6.1625,.322,-.3893;-5.9404,3.3277,-.8157;-5.156,2.1546,-1.8722;-4.2193,3.463,-1.1529;-4.3725,2.1425,2.383;-5.4816,3.3204,1.6826;-3.7529,3.4563,1.385;-4.354,-.8707,.18;-2.2306,2.8263,-.2082;.0434,-1.734,1.5113;.8091,-2.9598,.4802;-.1624,1.5942,-.5778;-3.7746,-2.9212,.9762;-4.0778,-2.9333,-.7653;-2.1909,-4.8478,.7151;-2.5008,-4.8627,-1.0287;-3.7982,-5.2339,.1044;4.9328,3.2718,-.5678;6.8068,-.4112,.6278;6.9678,2.0033,.0696; 0.000000 4.691455 0.000000 3.967764 2.715417 0.000000 6.649137 6.861756 4.409757 0.000000 2.863636 3.917183 2.239933 4.146460 0.000000 7.395439 10.050044 7.453127 4.975723 6.579426 0.000000 6.197653 8.585525 5.995528 3.682209 5.096979 1.525978 0.000000 4.148903 4.619406 2.345204 2.706921 1.454897 5.859741 4.333842 0.000000 4.477366 5.935292 3.439014 2.322815 2.462299 4.352154 2.826412 1.508102 0.000000 8.714761 10.926476 8.255274 5.091236 7.552713 1.528383 2.541068 6.608098 5.153673 0.000000 7.625197 10.763753 8.301912 5.912365 7.063208 1.533576 2.495715 6.531203 5.064341 2.479876 0.000000 7.493487 10.280464 7.715738 5.900611 7.101534 1.533564 2.494112 6.516393 5.056543 2.479210 2.502612 0.000000 6.588833 8.209845 5.568680 2.419230 4.886307 2.556709 1.394605 3.793831 2.426121 2.864106 3.594471 3.589666 0.000000 5.864791 6.962121 4.375568 1.350680 3.752291 3.836217 2.424712 2.503688 1.398327 4.253731 4.741556 4.734832 1.391351 0.000000 4.893090 7.765001 5.333696 4.111987 4.218198 2.527481 1.392089 3.820915 2.418912 3.838854 3.039693 3.036939 2.387635 2.763134 0.000000 4.758780 3.944908 1.436114 3.008238 2.368319 6.608972 5.131081 1.548944 2.554819 7.227426 7.529379 7.057510 4.453197 3.175780 4.751120 0.000000 3.868430 6.434909 4.074628 3.586417 2.831856 3.812590 2.418816 2.546251 1.385222 4.957983 4.332871 4.327037 2.758939 2.384107 1.387825 3.582505 0.000000 2.815125 2.813048 1.340329 4.784109 1.263288 7.351254 5.886533 2.190040 3.291235 8.320928 7.974885 7.677127 5.662791 4.511446 4.996481 2.224165 3.643861 0.000000 2.349249 2.345315 2.383400 6.251155 2.430049 8.438359 7.039616 3.628632 4.625507 9.527249 8.966729 8.622911 6.985562 5.912144 5.987565 3.604241 4.695403 1.469643 0.000000 8.047699 8.095571 5.681457 1.420507 5.564131 5.217771 4.227509 4.121218 3.644582 4.904114 6.219008 6.208947 2.833144 2.398229 5.016264 4.253601 4.780854 6.170080 7.638131 0.000000 1.333244 3.586430 3.573892 7.032764 3.041240 8.436309 7.152057 4.394536 5.085671 9.677052 8.790968 8.524945 7.358690 6.459543 5.930063 4.672308 4.773610 2.501315 1.392802 8.443902 0.000000 3.588461 1.334135 2.922123 7.138548 3.593021 9.719650 8.302301 4.630993 5.791885 10.747156 10.313768 9.875532 8.139273 6.989232 7.312566 4.273853 6.010278 2.504150 1.392568 8.470023 2.364231 0.000000 8.825579 8.091083 5.975870 2.367436 6.131935 6.726495 5.703092 4.707013 4.671821 6.361050 7.704421 7.690233 4.314276 3.650277 6.384705 4.566587 5.953576 6.606105 8.050958 1.508764 9.030249 8.681107 0.000000 2.327766 4.088996 4.739924 8.405304 4.389881 9.646133 8.424134 5.758419 6.458357 10.937680 9.938066 9.637798 8.702698 7.833615 7.155682 5.951718 6.073827 3.780754 2.433780 9.814761 1.379498 2.755147 10.367973 0.000000 4.092520 2.329557 4.261606 8.495832 4.796466 10.808562 9.439606 5.944554 7.039158 11.913691 11.333291 10.874603 9.385203 8.284633 8.359821 5.638821 7.106382 3.783675 2.435673 9.837708 2.759470 1.378822 10.059065 2.411219 0.000000 3.587365 3.587026 5.003042 9.047261 5.104227 10.761647 9.479769 6.407180 7.310865 11.987148 11.149556 10.753166 9.622496 8.642706 8.276857 6.345145 7.118746 4.268464 2.798822 10.435147 2.378754 2.375746 10.821421 1.385979 1.385828 0.000000 4.892979 5.010724 3.091382 2.582825 2.074621 6.290633 4.789450 1.093537 2.127697 6.897404 6.861200 7.143767 4.070861 2.739512 4.445032 2.180627 3.271017 2.916844 4.283276 3.893840 5.093456 5.161054 4.278973 6.417765 6.472178 7.001991 0.000000 9.544214 11.944638 9.276572 6.176600 8.557749 2.156587 3.478333 7.664987 6.193212 1.091493 2.698271 2.697671 3.948786 5.339825 4.664768 8.286036 5.884505 9.321351 10.483047 5.924893 10.557830 11.722138 7.350964 11.781227 12.855692 12.869483 7.968723 0.000000 8.881197 10.697895 7.988630 4.811915 7.581564 2.189341 2.831450 6.531991 5.148641 1.091825 3.456256 2.741867 2.823653 4.131559 4.154638 6.923753 5.129108 8.227876 9.471901 4.492055 9.738828 10.616085 5.893960 11.014861 11.813377 11.982317 6.864950 1.756618 0.000000 8.960931 11.028802 8.393607 4.821603 7.556733 2.189925 2.832908 6.542654 5.154338 1.091899 2.743805 3.456138 2.827745 4.136868 4.156858 7.266332 5.133246 8.425958 9.695323 4.500872 9.905235 10.906910 5.905984 11.202580 12.114636 12.236267 6.658404 1.756686 1.767013 0.000000 8.586894 11.808844 9.328904 6.859894 8.140566 2.171195 3.453141 7.603850 6.124914 2.695278 1.092409 2.747229 4.501720 5.732865 4.052610 8.555553 5.384085 9.027572 9.994820 7.034854 9.775847 11.343462 8.521013 10.886071 12.340222 12.117804 7.937093 2.452116 3.707688 3.043937 0.000000 7.826424 10.817085 8.397121 5.671857 7.005644 2.182607 2.757843 6.418216 5.018867 2.750926 1.091915 3.467273 3.554618 4.614022 3.367405 7.533679 4.468298 8.028006 9.081811 5.918257 8.968560 10.420844 7.346737 10.153094 11.480576 11.345783 6.576277 3.081343 3.770147 2.563357 1.762848 0.000000 6.919083 10.416310 8.082575 6.253600 6.719659 2.192648 2.766559 6.409024 5.003925 3.453716 1.091063 2.765602 4.036583 4.985996 2.773944 7.476075 4.030224 7.616541 8.471582 6.775021 8.147703 9.845992 8.244563 9.219269 10.778164 10.482006 6.817156 3.698656 4.333208 3.771626 1.758996 1.762572 0.000000 7.601897 9.969624 7.365742 5.649240 7.070746 2.181951 2.753997 6.390541 5.003669 2.749712 3.466891 1.091927 3.544866 4.600577 3.361690 6.695808 4.456978 7.507794 8.485096 5.898770 8.511517 9.657467 7.319804 9.638239 10.684542 10.662334 7.075870 3.080809 2.560613 3.768905 3.754335 4.326827 3.777554 0.000000 8.468862 11.363566 8.803513 6.849552 8.174594 2.171668 3.452276 7.591096 6.118560 2.694682 2.748336 1.092438 4.497887 5.727277 4.050985 8.137131 5.379683 8.761919 9.683202 7.025641 9.534131 10.940755 8.507758 10.608960 11.914269 11.748982 8.186305 2.451483 3.041726 3.707765 2.540114 3.755267 3.107006 1.762997 0.000000 6.769148 9.900237 7.459778 6.242198 6.761253 2.192557 2.765063 6.393532 4.995845 3.453160 2.765433 1.091040 4.032192 4.979451 2.770846 6.985396 4.023803 7.294345 8.095268 6.765544 7.850896 9.371363 8.230947 8.884562 10.279466 10.045999 7.110199 3.698114 3.769731 4.333414 3.105591 3.777896 2.580381 1.762393 1.759315 0.000000 7.659937 9.031176 6.378664 2.679868 5.844593 2.762314 2.144889 4.643263 3.398494 2.451631 3.857894 3.852906 1.080367 2.139884 3.370913 5.158620 3.839227 6.593924 7.957742 2.508151 8.397479 9.058674 4.006036 9.748461 10.334922 10.632640 4.788074 3.519982 2.234852 2.239932 4.597230 3.742657 4.536044 3.732696 4.592898 4.531681 0.000000 4.866646 8.285142 5.999077 5.193749 4.812858 2.731135 2.153991 4.675257 3.385020 4.223524 2.896567 2.896558 3.379354 3.845672 1.082914 5.607450 2.129997 5.535272 6.323314 6.083123 6.030313 7.680725 7.464819 7.135250 8.602554 8.348618 5.343719 4.857132 4.664224 4.665270 3.792499 3.431917 2.291897 3.430743 3.793162 2.291869 4.281080 0.000000 5.222990 4.673459 2.057445 2.867889 3.158468 6.119634 4.732354 2.227000 2.619535 6.659851 7.207409 6.431541 4.045275 2.952983 4.510115 1.089594 3.563012 2.987706 4.283641 3.957533 5.243420 4.971187 4.415488 6.509046 6.288618 6.945997 2.956024 7.691875 6.235453 6.808293 8.175665 7.321414 7.230312 5.940347 7.490137 6.431753 4.674916 5.378136 0.000000 5.640630 4.001031 2.062433 3.108815 3.082738 7.358904 5.891300 2.214180 3.336276 7.820400 8.291237 7.907553 5.021834 3.689193 5.658129 1.089996 4.517891 2.926733 4.211636 4.170091 5.415736 4.625274 4.113357 6.635358 5.994864 6.867509 2.348714 8.897838 7.466061 7.754289 9.314870 8.201994 8.318872 7.516842 8.969892 7.924424 5.577800 6.572092 1.775341 0.000000 2.825568 5.958923 3.898499 4.453938 2.454973 4.664267 3.391667 2.758803 2.134096 5.923887 5.013440 5.006625 3.840996 3.368225 2.137099 3.786297 1.082128 3.184991 3.973756 5.735985 3.833122 5.345494 6.805699 5.085433 6.326734 6.202664 3.556355 6.793495 6.131653 6.136396 6.037120 5.188972 4.503536 5.176108 6.031810 4.495763 4.921315 2.435613 3.934863 4.775072 0.000000 8.370391 8.487828 5.963541 2.072936 6.076301 4.934983 4.119609 4.651004 4.003212 4.481763 6.124902 5.745011 2.792377 2.705027 5.044035 4.586528 4.992395 6.568427 8.011179 1.095057 8.789022 8.845657 2.151044 10.148025 10.198458 10.778894 4.644846 5.453787 3.861405 4.252632 6.852008 5.982116 6.744519 5.289363 6.509251 6.390587 2.274671 6.067996 4.033946 4.610598 5.987573 0.000000 8.447902 8.884238 6.480911 2.072241 6.032191 4.947953 4.127360 4.650660 4.001380 4.497472 5.766320 6.130954 2.798646 2.703602 5.049208 5.072014 4.993678 6.801238 8.261464 1.095146 8.963297 9.178107 2.151914 10.342001 10.532180 11.049023 4.314672 5.471322 4.261061 3.883837 6.532383 5.317421 6.409626 5.980222 6.860929 6.749572 2.285693 6.074238 4.858575 5.043200 5.988648 1.767794 0.000000 8.680117 7.483545 5.463106 2.646404 6.005692 7.195144 6.095223 4.618160 4.786073 6.926963 8.282790 7.995168 4.746879 3.937171 6.655529 4.124354 6.102207 6.274226 7.674305 2.162074 8.749942 8.176754 1.090760 10.049689 9.544777 10.394531 4.317076 7.930936 6.358148 6.612094 9.123622 8.032413 8.756314 7.510378 8.859152 8.476240 4.558797 7.729568 3.914298 3.552431 6.876414 2.507620 3.068743 0.000000 8.760836 7.937547 6.030534 2.649233 5.967128 7.204670 6.102155 4.623687 4.789022 6.936337 8.021562 8.278150 4.751960 3.939257 6.662399 4.664908 6.107364 6.524231 7.942043 2.161887 8.931488 8.542420 1.090696 10.252165 9.907706 10.681354 3.965288 7.941821 6.607797 6.379496 8.885889 7.550147 8.502142 8.013509 9.121411 8.752126 4.564172 7.737418 4.765811 4.105247 6.882048 3.067883 2.505791 1.771131 0.000000 9.877400 9.123765 7.020954 3.314213 7.209439 7.161126 6.315896 5.777134 5.636858 6.570186 8.149387 8.135470 4.925830 4.499098 7.151622 5.616525 6.861679 7.685158 9.130117 2.135426 10.105843 9.746309 1.090061 11.446165 11.123458 11.899057 5.348285 7.476802 6.046205 6.058132 8.873317 7.767911 8.797357 7.741613 8.860041 8.784112 4.399070 8.217158 5.383856 5.151656 7.765700 2.471665 2.475291 1.762175 1.762083 0.000000 2.561658 5.170558 5.655977 9.071868 5.079959 9.813529 8.696549 6.461997 6.990600 11.181730 9.979307 9.740702 9.128584 8.378049 7.363212 6.795004 6.414097 4.637790 3.405212 10.481572 2.136771 3.836673 11.135944 1.081628 3.397051 2.156181 7.134358 11.961846 11.335458 11.482088 10.876098 10.233847 9.172730 9.827045 10.654790 8.904409 10.196253 7.186176 7.299770 7.545573 5.364250 10.796064 10.942274 10.877522 11.029069 12.207686 0.000000 5.174225 2.565562 4.931197 9.219856 5.695720 11.779076 10.392406 6.754137 7.927228 12.839089 12.350478 11.840585 10.264209 9.118587 9.357146 6.300818 8.088101 4.641041 3.407003 10.518801 3.841104 2.137146 10.616800 3.397870 1.081769 2.157237 7.218096 13.796465 12.690553 13.029790 13.362398 12.487641 11.821811 11.600846 12.885720 11.271153 11.179250 9.636119 6.947962 6.518428 7.351499 10.880611 11.259542 10.032461 10.449459 11.661823 4.301854 0.000000 4.460954 4.462444 6.058300 10.127930 6.167070 11.714552 10.470271 7.484722 8.368106 12.973927 12.060674 11.651554 10.663122 9.707918 9.236323 7.415767 8.119567 5.349819 3.880176 11.516014 3.359858 3.357654 11.895496 2.137289 2.137459 1.081355 8.067174 13.832443 12.983425 13.245462 13.006096 12.279201 11.347961 11.574700 12.622313 10.898400 11.681399 9.239293 7.999557 7.920244 7.171192 11.852048 12.127363 11.455821 11.747427 12.972421 2.481294 2.483369 0.000000 C21H23F2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7182,-2.3007,-.5972;-4.7808,1.7531,.5528;-2.1185,1.3318,.8821;1.999,2.376,-.3019;-1.5018,.2623,-.9869;4.6089,-1.8197,.283;3.3188,-1.0456,.0279;-.3706,1.1194,-.667;.8972,.3357,-.4371;5.8178,-.9024,.4657;4.8877,-2.7471,-.9061;4.4502,-2.6594,1.5564;3.2875,.3477,-.0219;2.0968,1.0298,-.2518;2.1219,-1.7316,-.1585;-.8391,1.9099,.5799;.9358,-1.0481,-.3867;-2.374,.4472,-.0919;-3.6738,-.2345,-.0169;3.1597,3.176,-.127;-3.8053,-1.5951,-.2844;-4.8441,.441,.3197;2.7435,4.6223,-.2335;-5.0143,-2.2559,-.2175;-6.0737,-.1783,.3951;-6.1478,-1.5355,.1248;-.2128,1.8027,-1.5061;6.7111,-1.5032,.6458;5.7033,-.2321,1.3199;6.013,-.2926,-.4187;5.8077,-3.3125,-.741;5.0093,-2.181,-1.8319;4.0855,-3.4699,-1.0625;4.2517,-2.0286,2.4254;5.3641,-3.2228,1.7585;3.6346,-3.3796,1.4766;4.2004,.9075,.1211;2.0985,-2.8138,-.1275;-.1943,1.7883,1.4498;-.9742,2.9733,.3824;.0202,-1.6079,-.5258;3.6126,2.9803,.8506;3.9052,2.9349,-.8922;2.015,4.8869,.5339;2.3141,4.8443,-1.2113;3.616,5.262,-.0997;-5.0638,-3.316,-.4266;-6.9543,.3939,.6545;-7.1031,-2.0392,.18; 0.3448207 0.1012329 0.0815483 -24.70706 -24.70588 -19.16701 -19.15419 -14.30075 -10.28039 -10.28022 -10.27701 -10.22989 -10.22232 -10.22008 -10.21156 -10.20888 -10.19622 -10.18743 -10.18722 -10.18151 -10.17518 -10.17237 -10.16574 -10.16344 -10.15730 -10.15699 -10.14855 -10.14839 -10.14827 -1.25403 -1.25263 -1.11111 -1.07684 -0.92493 -0.89130 -0.86433 -0.82457 -0.80585 -0.77702 -0.77053 -0.76376 -0.73618 -0.72133 -0.68168 -0.68058 -0.66117 -0.65767 -0.64460 -0.64128 -0.60172 -0.59506 -0.58291 -0.57013 -0.55630 -0.54568 -0.52950 -0.51728 -0.50915 -0.50653 -0.49844 -0.48998 -0.48576 -0.48426 -0.47985 -0.47610 -0.45644 -0.45222 -0.43945 -0.43644 -0.43065 -0.42356 -0.41973 -0.40859 -0.40487 -0.39907 -0.39609 -0.38856 -0.38785 -0.38409 -0.38117 -0.37327 -0.37138 -0.36752 -0.36663 -0.35912 -0.35777 -0.34915 -0.34515 -0.33110 -0.31741 -0.31477 -0.31328 -0.29203 -0.28033 -0.26332 -0.25485 -0.24787 -0.21994 -0.04957 -0.01947 -0.00747 0.00033 0.00392 0.01040 0.01469 0.01920 0.02446 0.02785 0.03054 0.03102 0.03367 0.03889 0.04095 0.04657 0.04932 0.05295 0.05673 0.05952 0.06125 0.06513 0.06673 0.06829 0.07127 0.07631 0.07981 0.08440 0.08648 0.08994 0.09318 0.09519 0.09884 0.10358 0.10535 0.10909 0.11027 0.11372 0.11992 0.12246 0.12498 0.12783 0.12962 0.13170 0.13522 0.13593 0.13920 0.14285 0.14562 0.14733 0.14891 0.15140 0.15769 0.16147 0.16329 0.16677 0.16818 0.16913 0.17351 0.17636 0.17832 0.18025 0.18481 0.18689 0.18816 0.19368 0.19530 0.19707 0.19966 0.20346 0.20505 0.20541 0.20771 0.21020 0.21069 0.21366 0.21722 0.22120 0.22198 0.22620 0.22692 0.22952 0.23089 0.23648 0.23782 0.23925 0.24176 0.24367 0.24606 0.24770 0.25303 0.25389 0.25584 0.25905 0.26074 0.26161 0.26573 0.26892 0.27190 0.27763 0.27875 0.27980 0.28279 0.28600 0.28882 0.29096 0.29249 0.29540 0.29951 0.30259 0.30554 0.30928 0.31115 0.31689 0.31957 0.32158 0.32798 0.32944 0.33474 0.33641 0.34318 0.34399 0.34604 0.35188 0.35625 0.36126 0.36390 0.36393 0.36865 0.37452 0.37638 0.38137 0.38704 0.38868 0.39156 0.39955 0.40396 0.40840 0.41403 0.41513 0.42004 0.42124 0.42275 0.42719 0.43369 0.44446 0.44601 0.45469 0.46513 0.47599 0.48140 0.48234 0.48731 0.49181 0.49581 0.50382 0.51061 0.51842 0.52198 0.52985 0.53305 0.53593 0.54018 0.54877 0.54994 0.55466 0.55796 0.56325 0.56631 0.56917 0.57810 0.58050 0.59028 0.59595 0.60141 0.60746 0.61140 0.61592 0.61836 0.61930 0.62253 0.62782 0.62867 0.63335 0.64553 0.64706 0.65071 0.65572 0.65873 0.66691 0.66976 0.67304 0.67549 0.68134 0.68634 0.69239 0.69636 0.69891 0.70246 0.70577 0.71024 0.71356 0.71749 0.72073 0.72641 0.72775 0.73147 0.73430 0.73919 0.74249 0.74621 0.74853 0.75461 0.76170 0.76202 0.76734 0.77472 0.77874 0.78500 0.78639 0.79302 0.79530 0.80121 0.80982 0.81850 0.82372 0.82962 0.83143 0.83981 0.84408 0.85339 0.86094 0.86299 0.86552 0.87475 0.89141 0.89640 0.91976 0.92356 0.93212 0.94327 0.94517 0.95241 0.95585 0.97024 0.97712 0.98225 0.99026 0.99765 1.00547 1.01023 1.01345 1.01918 1.02193 1.03619 1.04905 1.05119 1.06080 1.07582 1.08332 1.08507 1.08828 1.09377 1.10439 1.11192 1.11501 1.12738 1.15203 1.15537 1.15847 1.16367 1.16669 1.18376 1.18988 1.20146 1.20478 1.22247 1.22885 1.23725 1.25173 1.25541 1.27392 1.28495 1.28947 1.29997 1.30466 1.31708 1.31912 1.34076 1.35879 1.39912 1.40369 1.41340 1.43391 1.43699 1.44053 1.44587 1.45058 1.45652 1.46040 1.46626 1.47102 1.47460 1.47616 1.47686 1.48631 1.49310 1.50202 1.51337 1.52321 1.52843 1.53511 1.53824 1.53892 1.53978 1.54849 1.56368 1.56968 1.57268 1.57879 1.58258 1.58612 1.58906 1.59355 1.59611 1.60017 1.60671 1.60980 1.61327 1.61938 1.63118 1.63234 1.64601 1.65474 1.65858 1.66045 1.66825 1.67272 1.67802 1.68477 1.69220 1.69913 1.70410 1.71385 1.71721 1.72190 1.73059 1.73842 1.74573 1.74737 1.76435 1.77275 1.77857 1.78882 1.78993 1.79344 1.80006 1.80260 1.81351 1.83753 1.84786 1.85334 1.85721 1.86111 1.86728 1.86987 1.89206 1.89413 1.90181 1.90823 1.90943 1.91318 1.92847 1.93553 1.94182 1.94773 1.95820 1.96285 1.96735 1.97490 1.98468 1.98756 2.00024 2.01127 2.01255 2.02149 2.02521 2.04035 2.04843 2.05140 2.06731 2.07182 2.08728 2.08979 2.10803 2.11940 2.13503 2.13711 2.14856 2.15319 2.16319 2.17092 2.18187 2.18896 2.20298 2.22268 2.22547 2.23038 2.24032 2.25673 2.26274 2.26767 2.28123 2.30079 2.30535 2.32041 2.33590 2.34180 2.36339 2.37699 2.38137 2.39243 2.42384 2.43580 2.44597 2.45273 2.46352 2.47083 2.47386 2.48859 2.50072 2.50157 2.52377 2.53855 2.54029 2.54344 2.54543 2.54855 2.56260 2.56680 2.56982 2.57962 2.58329 2.58731 2.60016 2.60334 2.62665 2.62947 2.63993 2.64680 2.65800 2.66450 2.67343 2.68059 2.68462 2.68853 2.69313 2.69657 2.71480 2.72618 2.73067 2.73826 2.74769 2.75571 2.76336 2.76956 2.77682 2.77963 2.78277 2.79065 2.79954 2.80583 2.81483 2.81948 2.83418 2.85262 2.86026 2.86922 2.87014 2.88115 2.89799 2.90732 2.91138 2.91711 2.92795 2.96275 2.97310 2.98359 2.99364 3.01056 3.02349 3.03893 3.04408 3.07686 3.07963 3.09159 3.10058 3.11663 3.13186 3.14145 3.15810 3.16028 3.17783 3.18733 3.19517 3.21576 3.22237 3.23234 3.23812 3.26743 3.27499 3.29911 3.30705 3.32724 3.33773 3.35961 3.39723 3.41488 3.44541 3.46428 3.49613 3.53838 3.57602 3.62371 3.63967 3.64117 3.65843 3.68193 3.74681 3.78014 3.78322 3.78916 3.79922 3.80045 3.81317 3.81358 3.82326 3.82821 3.82996 3.83726 3.85918 3.87484 3.88190 3.89155 3.90159 3.98329 3.98560 3.98968 4.03610 4.04521 4.08454 4.11958 4.12758 4.14039 4.14431 4.15522 4.17105 4.21961 4.25418 4.27660 4.31756 4.32379 4.33982 4.37544 4.47871 4.61382 4.83559 4.89026 4.90391 4.90896 5.01848 5.07689 5.08739 5.47325 5.48426 5.76809 5.85573 6.31757 6.34002 6.47648 6.49007 6.75607 6.82596 23.53526 23.63210 23.83840 23.85283 23.87664 23.88309 23.92065 23.93985 23.95998 23.98086 23.99199 23.99652 24.00161 24.00228 24.01942 24.06130 24.09438 24.10449 24.13070 24.19869 24.22409 35.69044 49.94802 50.00673 66.79691 66.81554 1-A. 0.9804 0.9619 1.5585 2.0773 -110.7217 -139.1133 -161.3503 19.2477 0.2629 -2.0266 26.3401 -2.0515 -24.2885 19.2477 0.2629 -2.0266 -204.9077 33.3572 6.7604 7.5304 -50.9207 14.3060 -2.4862 15.7697 -2.3883 2.7972 -10887.8129 -3524.1127 -560.1649 537.6732 -85.9568 226.0963 21.2989 -18.7790 15.1100 -2505.8755 -2356.4824 -727.7492 -15.2468 22.7894 10.4349 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.4292,2.2802,-.6306;4.6708,-1.7124,.5378;1.9129,-1.2378,.9982;-2.2025,-2.4431,-.2169;1.3745,-.4675,-1.0625;-4.6791,1.8932,.2537;-3.4082,1.0591,.0174;.2103,-1.2747,-.6414;-1.0295,-.427,-.4325;-5.9256,1.0208,.4803;-4.9352,2.7899,-.9782;-4.4812,2.7841,1.5004;-3.4264,-.3424,.0063;-2.2563,-1.0746,-.2116;-2.1815,1.6986,-.1964;.7,-1.9764,.6537;-1.0164,.9647,-.4156;2.2058,-.4908,-.1006;3.4836,.2437,-.0493;-3.4066,-3.2033,-.0047;3.5654,1.6102,-.3289;4.6879,-.382,.2826;-3.0284,-4.6679,-.0613;4.7516,2.3216,-.2863;5.9003,.2812,.3341;5.9225,1.6446,.047;.0012,-2.0195,-1.4109;-6.7956,1.6634,.6436;-5.8198,.3791,1.3601;-6.142,.3867,-.3845;-5.8382,3.3906,-.8276;-5.076,2.1841,-1.8787;-4.1038,3.4755,-1.16;-4.292,2.1742,2.3892;-5.3794,3.3828,1.6838;-3.6408,3.4717,1.3781;-4.3518,-.8722,.1695;-2.1227,2.7804,-.1946;.0117,-1.8998,1.4926;.982,-3.0176,.4873;-.0789,1.4824,-.5806;-3.8334,-2.9448,.9708;-4.1369,-2.9535,-.7824;-2.2983,-4.9103,.7156;-2.6012,-4.9215,-1.0352;-3.9181,-5.2839,.0968;4.7452,3.3814,-.5065;6.7987,-.2668,.5879;6.861,2.1842,.0828; 0.000000 4.725600 0.000000 3.911049 2.836086 0.000000 6.628259 6.953124 4.457091 0.000000 2.974763 3.869900 2.264853 4.172873 0.000000 7.173541 10.025068 7.335646 5.015863 6.629629 0.000000 5.998836 8.556955 5.878001 3.711286 5.135246 1.538498 0.000000 4.190576 4.634464 2.363992 2.714240 1.477876 5.894327 4.355869 0.000000 4.396726 5.923464 3.370740 2.342435 2.485559 4.378782 2.840541 1.516365 0.000000 8.521938 10.943413 8.173847 5.132903 7.608396 1.538269 2.559956 6.646599 5.186640 0.000000 7.390183 10.716548 8.186859 5.952456 7.101462 1.545055 2.513752 6.565856 5.089274 2.497563 0.000000 7.249024 10.242271 7.570469 5.955304 7.171538 1.545016 2.515252 6.562864 5.095216 2.497255 2.519805 0.000000 6.447618 8.229417 5.503894 2.441405 4.920011 2.574646 1.401658 3.809721 2.438140 2.886089 3.613534 3.622198 0.000000 5.777922 6.996653 4.344219 1.369579 3.778274 3.859337 2.435504 2.511755 1.404681 4.281768 4.764311 4.771875 1.397350 0.000000 4.667478 7.689461 5.178145 4.141784 4.252933 2.545294 1.399794 3.841728 2.429165 3.864689 3.063510 3.057131 2.399283 2.774219 0.000000 4.770652 3.981295 1.461307 3.065961 2.382667 6.638424 5.147406 1.552293 2.563522 7.274078 7.558856 7.086902 4.485038 3.209605 4.746704 0.000000 3.694465 6.357732 3.928222 3.613819 2.861204 3.837357 2.432455 2.563351 1.391909 4.990607 4.359415 4.357275 2.773914 2.395372 1.394260 3.569320 0.000000 2.830119 2.824199 1.360598 4.822671 1.271515 7.294598 5.825176 2.211083 3.252929 8.291130 7.907418 7.616055 5.635136 4.501498 4.904182 2.245810 3.549741 0.000000 2.365808 2.362342 2.399910 6.291199 2.445539 8.333225 6.940163 3.656589 4.578768 9.456130 8.844332 8.502545 6.935021 5.891601 5.850784 3.629355 4.572134 1.474788 0.000000 8.032333 8.231772 5.759013 1.439766 5.609178 5.259381 4.262455 4.148187 3.679902 4.942093 6.261274 6.266569 2.860990 2.428508 5.056335 4.336226 4.822333 6.234293 7.704533 0.000000 1.353133 3.607331 3.550118 7.050582 3.107267 8.269926 7.003897 4.435852 5.027363 9.543703 8.606605 8.335005 7.267062 6.412038 5.749120 4.694721 4.627895 2.512951 1.397168 8.478485 0.000000 3.608732 1.354786 2.990839 7.209352 3.576961 9.639365 8.227544 4.658223 5.762094 10.707623 10.210467 9.776436 8.119014 6.996084 7.193479 4.310838 5.902543 2.513812 1.397101 8.576900 2.366986 0.000000 8.853618 8.268734 6.107751 2.378262 6.166947 6.772941 5.740086 4.726522 4.703047 6.406958 7.752155 7.751299 4.344267 3.678413 6.423997 4.653613 5.991702 6.696773 8.156656 1.513679 9.108508 8.833359 0.000000 2.348148 4.118101 4.730490 8.430098 4.448182 9.455851 8.262440 5.803650 6.402923 10.783453 9.722753 9.415431 8.605909 7.787822 6.961606 5.981000 5.926872 3.798040 2.445681 9.857014 1.383802 2.763509 10.460987 0.000000 4.120098 2.351091 4.318327 8.566251 4.795152 10.701797 9.346258 5.978973 7.007949 11.849927 11.199251 10.742428 9.353216 8.286482 8.222254 5.678248 6.990718 3.799229 2.447178 9.943613 2.767199 1.382919 10.216251 2.422285 0.000000 3.614714 3.616189 5.028891 9.099111 5.135726 10.606499 9.349032 6.451704 7.269897 11.872419 10.965928 10.566312 9.557743 8.622811 8.107795 6.383914 6.987446 4.288961 2.814173 10.513651 2.387085 2.384677 10.953418 1.392970 1.393431 0.000000 4.999196 5.069217 3.173217 2.541898 2.101430 6.323430 4.810553 1.091158 2.134439 6.924427 6.905510 7.186263 4.070543 2.725342 4.479218 2.180063 3.306345 2.985633 4.370737 3.871966 5.200870 5.245377 4.244274 6.532694 6.567902 7.114224 0.000000 9.332814 11.953481 9.185869 6.220961 8.614101 2.164375 3.497452 7.704951 6.226991 1.093799 2.713040 2.710495 3.972566 5.369658 4.690096 8.332583 5.916854 9.285472 10.399913 5.965772 10.406717 11.669790 7.400940 11.603281 12.774665 12.732087 7.998839 0.000000 8.696128 10.728590 7.908165 4.851453 7.638294 2.194940 2.842701 6.565275 5.177792 1.094098 3.473040 2.756019 2.842832 4.157141 4.171412 6.968107 5.154444 8.203677 9.410518 4.529894 9.615100 10.590117 5.940092 10.873710 11.765288 11.883005 6.878627 1.764904 0.000000 8.781313 11.053221 8.332578 4.853415 7.595234 2.194756 2.843837 6.570999 5.177053 1.093960 2.753957 3.472558 2.838861 4.154999 4.176357 7.312649 5.158160 8.398603 9.632514 4.529360 9.784374 10.877578 5.945438 11.064529 12.064166 12.137534 6.677011 1.764664 1.774101 0.000000 8.343975 11.761981 9.210571 6.900938 8.183149 2.180523 3.472043 7.640920 6.152520 2.708078 1.094949 2.761993 4.521922 5.757359 4.078342 8.587591 5.413320 8.961025 9.869393 7.075967 9.583678 11.236680 8.568614 10.657396 12.198775 11.921716 7.981741 2.462550 3.722216 3.051492 0.000000 7.608904 10.771404 8.296428 5.694703 7.021906 2.188424 2.764536 6.437337 5.028290 2.764004 1.094412 3.483082 3.557832 4.620518 3.382923 7.555480 4.484168 7.958764 8.965444 5.943347 8.798055 10.324216 7.378735 9.956753 11.357678 11.178833 6.608155 3.096788 3.781626 2.568943 1.772367 0.000000 6.662539 10.333980 7.941895 6.287619 6.750518 2.198407 2.776579 6.437754 5.020971 3.469118 1.092788 2.774513 4.049186 5.001608 2.789507 7.489295 4.048460 7.527647 8.321495 6.813781 7.936466 9.708505 8.287256 8.972938 10.607457 10.263329 6.863632 3.712476 4.345426 3.781002 1.768002 1.768987 0.000000 7.369151 9.943056 7.216407 5.698894 7.141563 2.188403 2.765869 6.430373 5.037015 2.764611 3.483106 1.094439 3.572225 4.632793 3.371283 6.720050 4.478727 7.451340 8.374531 5.952532 8.333352 9.571267 7.376746 9.432171 10.568294 10.492906 7.103466 3.094553 2.572085 3.782996 3.770661 4.339296 3.784889 0.000000 8.218649 11.326106 8.660080 6.902637 8.245147 2.180429 3.473080 7.638268 6.157464 2.706577 2.763114 1.094903 4.528297 5.763197 4.074091 8.169514 5.412025 8.701965 9.560880 7.079539 9.338250 10.839125 8.566584 10.375185 11.775943 11.551313 8.228775 2.458451 3.052984 3.719630 2.552913 3.770922 3.118118 1.772226 0.000000 6.503744 9.831742 7.291548 6.292688 6.828407 2.198636 2.779661 6.437172 5.029577 3.468949 2.773500 1.092735 4.059007 5.011270 2.784321 7.003504 4.048388 7.215990 7.950728 6.820815 7.635972 9.242134 8.288592 8.632754 10.114383 9.826777 7.155134 3.709822 3.783217 4.345127 3.114523 3.784748 2.579958 1.769184 1.767563 0.000000 7.520628 9.069100 6.329787 2.690078 5.871303 2.786009 2.154831 4.651053 3.405586 2.481358 3.881862 3.893157 1.078741 2.139460 3.384221 5.193637 3.852455 6.574223 7.917495 2.521492 8.312210 9.053626 4.026423 9.658133 10.318056 10.578721 4.771017 3.553330 2.266754 2.257592 4.623291 3.749769 4.553189 3.769751 4.631822 4.564629 0.000000 4.599961 8.177590 5.818450 5.224181 4.851055 2.742897 2.158838 4.699575 3.396919 4.244322 2.919661 2.904417 3.390029 3.857364 1.083443 5.595938 2.137587 5.426361 6.155175 6.122913 5.808758 7.524071 7.504389 6.890160 8.419807 8.128504 5.387905 4.877192 4.674611 4.681983 3.818162 3.451679 2.310881 3.427737 3.807567 2.292559 4.294558 0.000000 5.274970 4.759594 2.072939 2.849647 3.230654 6.158411 4.756767 2.232560 2.638048 6.693821 7.250560 6.490441 4.056458 2.954531 4.539985 1.087788 3.592252 3.055765 4.361945 3.952992 5.316682 5.063031 4.395387 6.591758 6.385478 7.041984 2.905974 7.730264 6.262385 6.827892 8.221513 7.343661 7.271051 5.993613 7.550285 6.496724 4.674042 5.413597 0.000000 5.604597 3.913262 2.072518 3.311628 3.009779 7.497908 6.009428 2.215257 3.406364 8.001499 8.419498 8.033216 5.178918 3.840592 5.719907 1.091445 4.546210 2.868473 4.145195 4.419990 5.362563 4.552145 4.371231 6.581455 5.924148 6.807224 2.358224 9.078917 7.652654 7.943577 9.450319 8.327974 8.410668 7.641103 9.102943 8.017140 5.757832 6.612173 1.789249 0.000000 2.632453 5.832475 3.722828 4.477881 2.479340 4.693213 3.408891 2.772869 2.138084 5.960058 5.044883 5.040295 3.857432 3.378652 2.148265 3.754174 1.083540 3.056807 3.808986 5.775936 3.655273 5.190704 6.840726 4.911713 6.166898 6.036311 3.599911 6.829723 6.159591 6.164387 6.072181 5.210409 4.528561 5.200733 6.069067 4.525501 4.935994 2.451644 3.968111 4.745115 0.000000 8.311746 8.603902 5.994484 2.078956 6.114976 4.963452 4.137680 4.662594 4.021173 4.510459 6.156245 5.789709 2.804985 2.717124 5.064756 4.646431 5.014150 6.606170 8.046466 1.095665 8.785168 8.924845 2.163878 10.149705 10.274067 10.820901 4.607855 5.487891 3.891746 4.273805 6.884035 5.997419 6.770019 5.331641 6.552613 6.432319 2.281733 6.087906 4.018579 4.840093 6.008533 0.000000 8.398158 8.992171 6.535602 2.078988 6.052632 4.985832 4.155898 4.662266 4.020147 4.537555 5.801965 6.184687 2.818636 2.718983 5.080258 5.139301 5.022420 6.838110 8.296520 1.095700 8.964314 9.253290 2.165149 10.347865 10.604488 11.091493 4.288509 5.515242 4.304507 3.916114 6.568394 5.336569 6.440168 6.031310 6.911915 6.796886 2.298755 6.105795 4.847375 5.274387 6.015420 1.779273 0.000000 8.710082 7.669849 5.594737 2.639298 6.032358 7.222848 6.111659 4.620884 4.798732 6.956373 8.313580 8.036483 4.758239 3.946406 6.672524 4.195348 6.118745 6.362789 7.783308 2.158915 8.831262 8.336639 1.093379 10.149139 9.711548 10.535387 4.262205 7.965170 6.387009 6.636460 9.155138 8.048399 8.780616 7.547561 8.899751 8.514655 4.563021 7.746382 3.873343 3.794018 6.890023 2.506937 3.074661 0.000000 8.793941 8.102751 6.170995 2.640250 5.970306 7.240131 6.125854 4.621573 4.799358 6.975664 8.057093 8.327086 4.767956 3.949164 6.686178 4.735338 6.127238 6.603902 8.042162 2.159341 9.010477 8.687563 1.093301 10.348253 10.060716 10.813732 3.915985 7.985740 6.647801 6.413883 8.922531 7.571374 8.531274 8.058185 9.169099 8.794932 4.573051 7.762405 4.727331 4.333807 6.897703 3.074030 2.509034 1.776911 0.000000 9.901203 9.312339 7.154298 3.333448 7.249355 7.219076 6.363918 5.801968 5.675697 6.627740 8.208335 8.208565 4.966692 4.535971 7.201168 5.707552 6.908543 7.779144 9.239147 2.144911 10.183963 9.905858 1.093620 11.539240 11.288390 12.035082 5.318859 7.539471 6.105909 6.110096 8.932382 7.811167 8.851037 7.811436 8.931152 8.853242 4.433566 8.266914 5.370655 5.412894 7.809038 2.498509 2.500301 1.773800 1.773998 0.000000 2.567457 5.200333 5.623494 9.070810 5.146370 9.571311 8.493833 6.500966 6.917876 10.973277 9.709898 9.460997 8.994699 8.304459 7.134927 6.812997 6.248591 4.648395 3.412588 10.491106 2.135579 3.845696 11.199071 1.082516 3.413546 2.170046 7.245243 11.724544 11.140767 11.292217 10.588292 9.988634 8.873624 9.566232 10.358809 8.595578 10.065061 6.901150 7.368458 7.489820 5.184983 10.760821 10.913267 10.947939 11.098975 12.268047 0.000000 5.202409 2.572986 4.998269 9.295484 5.673268 11.684086 10.308438 6.777473 7.896087 12.789793 12.226243 11.720797 10.241885 9.126065 9.226166 6.334192 7.974982 4.649634 3.414183 10.635951 3.849420 2.135940 10.787201 3.413908 1.082568 2.171129 7.298858 13.730793 12.658586 12.993650 13.231493 12.373394 11.658723 11.498106 12.760376 11.116820 11.174757 9.459860 7.039075 6.435184 7.192178 10.970845 11.343899 10.214405 10.614083 11.843265 4.327190 0.000000 4.489915 4.493044 6.085401 10.180824 6.200411 11.545058 10.330850 7.531277 8.327338 12.845622 11.859319 11.446180 10.593394 9.686685 9.059853 7.456230 7.986847 5.372179 3.897391 11.595591 3.370467 3.368647 12.032164 2.145887 2.146495 1.083219 8.182873 13.678071 12.872150 13.134990 12.788872 12.097147 11.110374 11.388963 12.402732 10.659397 11.622221 9.007721 8.098123 7.860378 7.006837 11.893898 12.169597 11.602816 11.885873 13.113441 2.501511 2.503271 0.000000 C21H23F2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6069,-2.272,-.5671;-4.8123,1.7634,.5202;-2.0556,1.2786,.9773;2.0621,2.4243,-.2864;-1.534,.457,-1.0677;4.5087,-1.9188,.2716;3.2428,-1.0806,.0226;-.3616,1.2647,-.6714;.873,.4127,-.4493;5.7629,-1.0509,.4716;4.7515,-2.8456,-.9405;4.3107,-2.7792,1.5395;3.2714,.3201,-.0209;2.1057,1.0559,-.2497;2.0103,-1.7156,-.1701;-.8391,1.9999,.6097;.8496,-.9781,-.4003;-2.36,.5087,-.1024;-3.6429,-.2147,-.0277;3.273,3.18,-.0979;-3.7365,-1.5866,-.2752;-4.8407,.4277,.2959;2.9055,4.6457,-.1864;-4.9277,-2.2878,-.2101;-6.0578,-.2249,.3689;-6.0917,-1.5943,.1135;-.151,1.99,-1.4589;6.6289,-1.6961,.6453;5.6665,-.3883,1.3369;5.9794,-.4385,-.4087;5.6508,-3.4494,-.7807;4.8921,-2.2617,-1.8555;3.9141,-3.5288,-1.1022;4.1308,-2.1475,2.415;5.2054,-3.3802,1.7321;3.4645,-3.463,1.4374;4.2016,.8464,.1253;1.9433,-2.7966,-.143;-.147,1.9374,1.4466;-1.1142,3.039,.4207;-.0926,-1.4923,-.5484;3.703,2.9408,.881;3.9973,2.9068,-.8734;2.1813,4.9115,.5884;2.475,4.88,-1.1637;3.8006,5.2584,-.0472;-4.9304,-3.3524,-.4058;-6.9507,.3356,.6146;-7.034,-2.1258,.1666; 0.3336022 0.1029712 0.0821069 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= 725 725 725 725 725 MxSgAt= 49 MxSgA2= 49. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 710 RedAO= T EigKep= 1.17D-06 NBF= 710 NBsUse= 704 1.00D-06 EigRej= 8.64D-07 NBFU= 704 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= 724 724 724 724 724 MxSgAt= 49 MxSgA2= 49. 1 3.85699623e-01 3.78422408e-01 6.13158222e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 9 9 8 8 7 6 6 6 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 -0.011353754 0.008106128 -0.003078573 0.000190222 -0.015004104 0.003095497 0.006945717 -0.004878205 0.014982163 0.007213116 -0.008985298 -0.001121752 -0.000100012 0.005658060 -0.012200382 -0.000892642 -0.000585498 0.000127581 -0.000610571 0.000073247 0.000205055 -0.007368891 -0.004320296 -0.002132147 0.001143607 0.000092465 -0.001578699 -0.004616544 -0.002590662 0.000773893 -0.001277173 0.004028700 -0.004259411 0.000315135 0.004055400 0.004465527 -0.005934746 -0.002581893 0.000882603 -0.000670616 0.007317392 0.000352380 0.001169923 0.005158165 -0.000242426 -0.010217427 -0.008563846 0.001482398 0.003949591 0.003604990 -0.000032425 0.010746066 0.007292275 -0.003283427 -0.003262609 -0.001675377 0.000162337 -0.008304662 -0.005726862 0.001365434 0.007738758 -0.002920179 0.001739678 0.001976885 0.008831991 -0.001403909 0.000162826 -0.003332710 -0.000057198 0.000834878 0.004797755 -0.001056381 0.004423640 -0.002208357 0.001254232 0.004512991 0.002532659 0.000094358 -0.000995122 -0.000518744 0.000561668 -0.001236601 0.001268744 0.000231814 0.000671978 -0.000743273 0.001378314 0.000218113 -0.000643591 -0.001470567 -0.001688303 0.000859570 0.000643513 0.000160742 -0.001594852 -0.001144849 0.001304585 0.000549849 0.000166658 0.000520067 -0.001563747 0.001065511 -0.001775490 0.000855616 0.000004293 0.001228163 0.000573841 -0.000696362 0.001611962 -0.000105637 -0.000338299 -0.000303954 0.000354871 0.000119209 -0.000173252 0.000952129 -0.000080117 0.001206324 -0.000632859 -0.000359979 0.001293805 -0.000237773 -0.000423230 0.000754325 0.001208495 0.001359104 0.000229120 0.001090646 -0.001439258 0.001591328 0.000770957 0.001353934 0.001089211 0.000704083 -0.001814923 -0.002275642 -0.001336357 0.000418744 -0.001246034 0.000717399 -0.000347906 -0.000184805 -0.001382275 0.000234193 0.001285769 0.000676970 0.000042131 0.015004104 0.003848200 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1219.35707861232 -1219.35718294349 -0.000104331167 -1219.35718254584 0.000000397647 -1219.35718419099 -0.000001645144 -1219.35718421421 -0.000000023222 -1219.35718423892 -0.000000024716 -1219.35718423973 -0.000000000805 -1219.35718423988 -0.000000000155 -1219.35718424005 -0.000000000161 -1219.35718423990 0.000000000148 -1219.35718424 10 1.214324706088e+03 -7.469825279174e+03 2.725968181656e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323523334 LenY= 11322980902 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) PT57393.700S 2024-08-23T09:33:11.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 F F O O N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.151244 -0.164075 -0.062146 -0.125562 -0.025188 0.373733 0.461807 0.276206 0.449011 -0.562593 -0.622639 -0.622084 -0.329554 -0.050015 -0.633552 -0.208359 -0.567606 0.342062 0.965346 0.105436 -1.324278 -0.256222 -0.704984 -0.096585 0.104580 -0.326469 0.200824 0.160158 0.149109 0.149676 0.147792 0.147178 0.151765 0.146971 0.147692 0.150980 0.167023 0.140051 0.196625 0.195630 0.165531 0.171057 0.167594 0.154880 0.158863 0.162288 0.171497 0.172379 0.179410 -0.00000 -24.70618 -24.70534 -19.16791 -19.15313 -14.30697 -10.28364 -10.28337 -10.28107 -10.23276 -10.22515 -10.22149 -10.21652 -10.21271 -10.20044 -10.19183 -10.19161 -10.18496 -10.17905 -10.17636 -10.16895 -10.16648 -10.16055 -10.15896 -10.15030 -10.15017 -10.15003 -1.24571 -1.24498 -1.09897 -1.06574 -0.92049 -0.89066 -0.86120 -0.82106 -0.80354 -0.77411 -0.77133 -0.76273 -0.73524 -0.71972 -0.68029 -0.67914 -0.66082 -0.65345 -0.64252 -0.63984 -0.59975 -0.59354 -0.58224 -0.56767 -0.55311 -0.54323 -0.52600 -0.51451 -0.50694 -0.50178 -0.49466 -0.48896 -0.48236 -0.48031 -0.47807 -0.47419 -0.45453 -0.45050 -0.43814 -0.43450 -0.43079 -0.42205 -0.42005 -0.40882 -0.40429 -0.40003 -0.39585 -0.38924 -0.38739 -0.38123 -0.37910 -0.37459 -0.37250 -0.36991 -0.36766 -0.35985 -0.35735 -0.34945 -0.34538 -0.33019 -0.31722 -0.31505 -0.31269 -0.29488 -0.28106 -0.26580 -0.25970 -0.24835 -0.22113 -0.05137 -0.02283 -0.00994 -0.00141 0.00277 0.01024 0.01389 0.01686 0.01852 0.02740 0.03000 0.03039 0.03283 0.03881 0.04098 0.04622 0.04859 0.05257 0.05671 0.05933 0.06134 0.06255 0.06660 0.06813 0.07078 0.07537 0.07885 0.08430 0.08604 0.08857 0.09187 0.09332 0.09835 0.10213 0.10370 0.10755 0.10972 0.11240 0.11666 0.12109 0.12248 0.12462 0.12695 0.13000 0.13331 0.13454 0.13767 0.14035 0.14389 0.14606 0.14744 0.15056 0.15590 0.15912 0.16033 0.16469 0.16627 0.16766 0.17219 0.17517 0.17581 0.17834 0.18321 0.18530 0.18636 0.19346 0.19386 0.19593 0.19829 0.20120 0.20371 0.20440 0.20598 0.20872 0.21059 0.21275 0.21444 0.21965 0.21980 0.22311 0.22457 0.22659 0.22988 0.23347 0.23504 0.23884 0.24016 0.24214 0.24339 0.24566 0.25139 0.25170 0.25361 0.25636 0.25741 0.25975 0.26341 0.26712 0.26962 0.27152 0.27544 0.27637 0.28063 0.28314 0.28765 0.28920 0.28931 0.29221 0.29778 0.29935 0.30175 0.30566 0.31039 0.31610 0.32008 0.32124 0.32634 0.32855 0.33391 0.33698 0.34094 0.34123 0.34468 0.35082 0.35375 0.35641 0.36002 0.36029 0.36545 0.36996 0.37286 0.37546 0.38250 0.38410 0.38932 0.39584 0.40100 0.40558 0.41030 0.41459 0.41756 0.42020 0.42123 0.42751 0.42987 0.44235 0.44567 0.45415 0.46046 0.47439 0.47750 0.47993 0.48606 0.48899 0.49988 0.50273 0.50882 0.51657 0.51853 0.52656 0.52843 0.53216 0.53671 0.54465 0.54816 0.55199 0.55684 0.56104 0.56491 0.56603 0.57378 0.57813 0.58382 0.59298 0.59740 0.60278 0.60433 0.61033 0.61508 0.61610 0.62062 0.62314 0.62575 0.63236 0.64141 0.64597 0.64797 0.65441 0.65663 0.66373 0.66616 0.66826 0.67249 0.68174 0.68286 0.69087 0.69382 0.69667 0.70004 0.70319 0.70763 0.71061 0.71586 0.71629 0.72193 0.72463 0.72985 0.73294 0.73556 0.73853 0.74203 0.74467 0.74821 0.75712 0.76053 0.76590 0.77014 0.77480 0.78409 0.78531 0.79422 0.79528 0.79942 0.80804 0.81360 0.81979 0.82536 0.82641 0.84062 0.84168 0.84633 0.85844 0.86367 0.86731 0.87469 0.88903 0.90088 0.91570 0.92287 0.92776 0.93946 0.94621 0.94838 0.95547 0.97081 0.97321 0.97875 0.98884 0.99879 1.00533 1.00877 1.01251 1.01853 1.02122 1.03398 1.04623 1.05028 1.05944 1.07021 1.08042 1.08337 1.08519 1.10129 1.10533 1.11104 1.12007 1.12520 1.12831 1.14374 1.15228 1.16071 1.16469 1.18175 1.18929 1.20193 1.21598 1.22127 1.22567 1.23396 1.25005 1.25595 1.27091 1.28357 1.29450 1.29794 1.30286 1.32037 1.32499 1.32946 1.35941 1.39610 1.39806 1.40845 1.42958 1.43518 1.43887 1.44500 1.45094 1.45349 1.45912 1.46500 1.46896 1.47007 1.47130 1.47771 1.48426 1.49194 1.50163 1.50946 1.52011 1.52882 1.53167 1.53361 1.53529 1.53691 1.54920 1.55848 1.56347 1.56974 1.57454 1.57812 1.57885 1.58211 1.58591 1.59047 1.59296 1.60213 1.60698 1.60952 1.61786 1.62188 1.62620 1.64041 1.64905 1.65451 1.65689 1.65847 1.66686 1.66880 1.67520 1.68921 1.69234 1.69490 1.70635 1.70939 1.71317 1.72579 1.73163 1.74250 1.74454 1.75632 1.76373 1.77256 1.78105 1.78299 1.78588 1.79007 1.79784 1.81264 1.83089 1.83854 1.84480 1.85262 1.85670 1.86151 1.86865 1.88226 1.88553 1.88978 1.90221 1.90553 1.90661 1.92342 1.93304 1.93938 1.94266 1.95143 1.95975 1.96405 1.96805 1.97635 1.97885 1.99368 2.00157 2.00791 2.01661 2.01836 2.03432 2.04237 2.04660 2.05927 2.06602 2.07453 2.08532 2.10759 2.11595 2.12731 2.12995 2.14051 2.14812 2.14991 2.16758 2.17809 2.17898 2.20048 2.21441 2.21702 2.22344 2.23145 2.25168 2.25620 2.25960 2.26944 2.29222 2.29631 2.31307 2.32595 2.33149 2.36002 2.36779 2.37564 2.38787 2.40628 2.41628 2.43848 2.44785 2.45610 2.46449 2.47290 2.48933 2.49105 2.49893 2.51428 2.53045 2.53323 2.53450 2.53764 2.54086 2.55624 2.55897 2.56717 2.57358 2.57762 2.58165 2.59542 2.59948 2.60817 2.62217 2.62815 2.64369 2.64513 2.65876 2.66004 2.67386 2.67549 2.68209 2.68911 2.69311 2.69614 2.71955 2.72614 2.73959 2.74344 2.75252 2.75671 2.76343 2.76796 2.76979 2.77233 2.78504 2.78690 2.80153 2.80433 2.81048 2.82451 2.83781 2.85421 2.85708 2.86430 2.87076 2.88296 2.88956 2.89419 2.90226 2.91938 2.94788 2.96028 2.96921 2.98143 2.99110 2.99653 3.02688 3.03261 3.06440 3.06736 3.07912 3.08864 3.09259 3.11359 3.12068 3.12958 3.14037 3.16798 3.17503 3.18046 3.20065 3.20369 3.21677 3.22063 3.24469 3.26126 3.27901 3.29078 3.31427 3.32059 3.34262 3.37958 3.39509 3.41790 3.44268 3.47659 3.52919 3.55547 3.60930 3.62264 3.63081 3.63768 3.66200 3.74363 3.78005 3.78145 3.78232 3.79288 3.79400 3.79590 3.81206 3.81710 3.82104 3.82267 3.83080 3.85196 3.86614 3.87028 3.88033 3.88884 3.95831 3.96710 3.97169 4.02614 4.04059 4.07151 4.10504 4.10834 4.11770 4.12730 4.13155 4.14711 4.20048 4.24597 4.25895 4.28887 4.30450 4.32626 4.36033 4.45620 4.58695 4.81969 4.87378 4.88324 4.89203 4.97208 5.07366 5.09492 5.44693 5.46614 5.71244 5.81839 6.31903 6.34095 6.47520 6.48889 6.72746 6.79915 23.52141 23.62523 23.82710 23.82840 23.85910 23.87243 23.89563 23.93032 23.94443 23.96025 23.97909 23.98008 23.99035 23.99097 24.00732 24.04188 24.07321 24.07984 24.10724 24.17231 24.19678 35.66237 49.93894 49.99755 66.79311 66.81078 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 F F O O N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.159861 -0.175316 -0.048668 -0.149154 -0.026818 0.381062 0.453301 0.239332 0.358426 -0.558170 -0.624082 -0.619480 -0.316531 -0.027073 -0.561507 -0.188127 -0.542891 0.337107 0.940282 0.107890 -1.288729 -0.239469 -0.694894 -0.199932 0.116431 -0.298533 0.200852 0.160710 0.149977 0.150097 0.148946 0.147677 0.152597 0.147882 0.148786 0.151502 0.168480 0.141872 0.196934 0.194769 0.169206 0.172550 0.169742 0.155662 0.159233 0.163928 0.174978 0.175969 0.183054 -0.00000 4.27911950e-01 2.31582849e-01 6.40316076e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.0876 0.5886 1.6275 2.0441 -109.0106 -138.0942 -162.6802 20.6175 0.2843 -1.2984 27.5844 -1.4992 -26.0852 20.6175 0.2843 -1.2984 -203.7271 32.9309 8.3635 7.0710 -55.4590 14.8162 0.6698 15.1462 -1.2599 2.2862 -10615.0929 -3646.7198 -574.7124 579.0121 -85.6744 234.0353 23.3691 -19.8303 16.2496 -2465.7769 -2323.2376 -752.0960 -15.6586 23.3357 13.7050 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1219.3571842 2.506E-9 1.6E-5 20.2707992,-0.8494153,-19.4213839,15.4820055,-0.779527,0.4560663 C01 [X(C21H23F2N1O2)] -0.4228559 -0.2199274 0.6477413 -0.000000993 0.000006893 -0.000000419 0.000000781 -0.000011922 0.000002535 0.000029687 0.000026246 -0.000028800 0.000032079 0.000041635 -0.000015059 0.000005058 -0.000036649 0.000076496 0.000012232 -0.000002706 0.000010592 -0.000019424 0.000017559 -0.000004297 0.000041135 0.000028376 0.000003286 -0.000013091 -0.000021289 -0.000005574 0.000022616 0.000015004 0.000001336 0.000004866 -0.000014676 0.000017754 -0.000006671 -0.000020458 -0.000025606 0.000025004 -0.000014049 -0.000007997 -0.000010795 -0.000004661 0.000004015 0.000003361 -0.000009937 0.000006617 -0.000022441 0.000010735 -0.000042491 0.000000555 0.000001691 0.000006058 -0.000049105 -0.000001210 -0.000031907 0.000000250 -0.000026557 0.000011249 -0.000053445 -0.000035806 0.000010187 0.000028047 -0.000004458 0.000007156 0.000001677 0.000036400 -0.000013579 0.000008427 0.000036128 -0.000004545 -0.000021439 0.000003240 -0.000001122 -0.000008011 -0.000012949 0.000005199 0.000004457 -0.000003306 0.000001313 -0.000003987 -0.000002758 -0.000002611 -0.000001491 -0.000005213 0.000000421 -0.000005468 -0.000002778 -0.000001667 -0.000006426 -0.000001023 0.000004027 0.000001623 0.000003391 -0.000003797 -0.000000984 0.000008843 0.000000628 -0.000003986 0.000003758 -0.000000616 -0.000000397 0.000004525 0.000004870 0.000005840 0.000001577 0.000006946 -0.000002075 0.000002311 0.000012208 -0.000007698 0.000004815 0.000000772 0.000004267 0.000001121 0.000002937 0.000000188 -0.000009684 0.000003658 -0.000002508 -0.000002268 0.000005644 -0.000004888 0.000006267 0.000001588 0.000009018 0.000001657 -0.000010033 0.000010383 0.000001166 -0.000000355 -0.000007276 -0.000007913 -0.000006266 -0.000005429 -0.000005678 -0.000001403 0.000001686 -0.000003689 -0.000006749 0.000005680 -0.000002838 0.000005330 -0.000000018 0.000002770 -0.000001056 -0.000000871 -0.000001634 0.000003126 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.4292,2.2802,-.6306;4.6708,-1.7124,.5378;1.9129,-1.2378,.9982;-2.2025,-2.4431,-.2169;1.3745,-.4675,-1.0625;-4.6791,1.8932,.2537;-3.4082,1.0591,.0174;.2103,-1.2747,-.6414;-1.0295,-.427,-.4325;-5.9256,1.0208,.4803;-4.9352,2.7899,-.9782;-4.4812,2.7841,1.5004;-3.4264,-.3424,.0063;-2.2563,-1.0746,-.2116;-2.1815,1.6986,-.1964;.7,-1.9764,.6537;-1.0164,.9647,-.4156;2.2058,-.4908,-.1006;3.4836,.2437,-.0493;-3.4066,-3.2033,-.0047;3.5654,1.6102,-.3289;4.6879,-.382,.2826;-3.0284,-4.6679,-.0613;4.7516,2.3216,-.2863;5.9003,.2812,.3341;5.9225,1.6446,.047;.0012,-2.0195,-1.4109;-6.7956,1.6634,.6436;-5.8198,.3791,1.3601;-6.142,.3867,-.3845;-5.8382,3.3906,-.8276;-5.076,2.1841,-1.8787;-4.1038,3.4755,-1.16;-4.292,2.1742,2.3892;-5.3794,3.3828,1.6838;-3.6408,3.4717,1.3781;-4.3518,-.8722,.1695;-2.1227,2.7804,-.1946;.0117,-1.8998,1.4926;.982,-3.0176,.4873;-.0789,1.4824,-.5806;-3.8334,-2.9448,.9708;-4.1369,-2.9535,-.7824;-2.2983,-4.9103,.7156;-2.6012,-4.9215,-1.0352;-3.9181,-5.2839,.0968;4.7452,3.3814,-.5065;6.7987,-.2668,.5879;6.861,2.1842,.0828; Gaussian 16 GINC-GANDULLAS ALCAMI Optimization Etoxazole CONF6 octanol EM64L-G16RevC.01 141 C1[X(C21H23F2NO2)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.4292,2.2802,-.6306;4.6708,-1.7124,.5378;1.9129,-1.2378,.9982;-2.2025,-2.4431,-.2169;1.3745,-.4675,-1.0625;-4.6791,1.8932,.2537;-3.4082,1.0591,.0174;.2103,-1.2747,-.6414;-1.0295,-.427,-.4325;-5.9256,1.0208,.4803;-4.9352,2.7899,-.9782;-4.4812,2.7841,1.5004;-3.4264,-.3424,.0063;-2.2563,-1.0746,-.2116;-2.1815,1.6986,-.1964;.7,-1.9764,.6537;-1.0164,.9647,-.4156;2.2058,-.4908,-.1006;3.4836,.2437,-.0493;-3.4066,-3.2033,-.0047;3.5654,1.6102,-.3289;4.6879,-.382,.2826;-3.0284,-4.6679,-.0613;4.7516,2.3216,-.2863;5.9003,.2812,.3341;5.9225,1.6446,.047;.0012,-2.0195,-1.4109;-6.7956,1.6634,.6436;-5.8198,.3791,1.3601;-6.142,.3867,-.3845;-5.8382,3.3906,-.8276;-5.076,2.1841,-1.8787;-4.1038,3.4755,-1.16;-4.292,2.1742,2.3892;-5.3794,3.3828,1.6838;-3.6408,3.4717,1.3781;-4.3518,-.8722,.1695;-2.1227,2.7804,-.1946;.0117,-1.8998,1.4926;.982,-3.0176,.4873;-.0789,1.4824,-.5806;-3.8334,-2.9448,.9708;-4.1369,-2.9535,-.7824;-2.2983,-4.9103,.7156;-2.6012,-4.9215,-1.0352;-3.9181,-5.2839,.0968;4.7452,3.3814,-.5065;6.7987,-.2668,.5879;6.861,2.1842,.0828; Optimization Etoxazole CONF6 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 48 49 19 19 16 16 14 12 12 12 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 18.9984033 18.9984033 15.9949146 15.9949146 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 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 1 0 0 2 0 0 0 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 6.7500000 6.7500000 5.6000000 5.6000000 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "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 R50 R51 1 2 3 3 4 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 15 15 16 16 17 18 19 19 20 20 20 21 22 23 23 23 24 24 25 25 26 21 22 16 18 14 20 8 18 7 10 11 12 13 15 9 16 27 14 17 28 29 30 31 32 33 34 35 36 14 37 17 38 39 40 41 19 21 22 23 42 43 24 25 44 45 46 26 47 26 48 49 1.3531 1.3548 1.4613 1.3606 1.3696 1.4398 1.4779 1.2715 1.5385 1.5383 1.5451 1.545 1.4017 1.3998 1.5164 1.5523 1.0912 1.4047 1.3919 1.0938 1.0941 1.094 1.0949 1.0944 1.0928 1.0944 1.0949 1.0927 1.3974 1.0787 1.3943 1.0834 1.0878 1.0914 1.0835 1.4748 1.3972 1.3971 1.5137 1.0957 1.0957 1.3838 1.3829 1.0934 1.0933 1.0936 1.393 1.0825 1.3934 1.0826 1.0832 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 16 14 8 7 7 7 10 10 11 6 6 13 5 5 5 9 9 16 8 8 14 6 6 6 28 28 29 6 6 6 31 31 32 6 6 6 34 34 35 7 7 14 4 4 9 7 7 17 3 3 3 8 8 39 9 9 15 3 3 5 18 18 21 4 4 4 23 23 42 1 1 19 2 2 19 20 20 20 44 44 45 21 21 26 22 22 26 24 24 25 3 4 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 26 26 26 18 20 18 10 11 12 11 12 12 13 15 15 9 16 27 16 27 27 14 17 17 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 9 13 13 17 38 38 8 39 40 39 40 40 15 41 41 5 19 19 21 22 22 23 42 43 42 43 43 19 24 24 19 25 25 44 45 46 45 46 46 26 47 47 26 48 48 25 49 49 105.4154 119.6166 106.8279 112.6152 109.2166 109.3151 108.1961 108.1786 109.2642 122.1834 119.9776 117.8389 112.2143 103.6577 108.8356 113.3074 108.789 109.8886 118.5568 123.567 117.8584 109.4739 111.8807 111.8743 107.543 107.5317 108.3504 110.2045 110.8606 111.7555 108.1013 107.8295 107.9559 110.8601 110.2026 111.78 108.0901 107.9753 107.7977 120.9477 120.0644 118.9878 115.198 123.8517 120.948 121.0528 120.234 118.7133 103.2967 107.9233 107.678 114.3314 112.6791 110.379 121.3523 118.9471 119.7002 118.6998 115.5889 125.7071 122.0659 122.1417 115.7923 107.2424 109.4131 109.4135 111.0363 111.1361 108.5732 118.6693 118.1696 123.1478 118.2767 118.3565 123.35 110.7776 110.8163 109.6515 108.7028 108.4004 108.4237 118.5569 119.4705 121.972 118.3918 119.5748 122.0324 120.7604 119.6107 119.6289 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 18 18 18 16 16 20 20 14 14 14 18 18 18 8 8 10 10 11 11 12 12 7 7 7 11 11 11 12 12 12 7 7 7 10 10 10 12 12 12 7 7 7 10 10 10 11 11 11 6 6 15 15 6 6 13 13 5 5 16 16 27 27 5 5 5 9 9 9 27 27 27 8 8 17 17 8 8 14 14 7 7 37 37 7 7 38 38 3 3 5 5 18 18 22 22 18 18 21 21 4 4 4 42 42 42 43 43 43 1 1 19 19 2 2 19 19 21 21 47 47 22 22 48 48 3 3 3 3 3 4 4 4 4 4 5 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 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 13 13 13 13 15 15 15 15 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 25 16 16 16 18 18 14 14 20 20 20 8 8 8 18 18 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 15 15 15 15 9 9 9 9 9 9 16 16 16 16 16 16 16 16 16 14 14 14 14 17 17 17 17 14 14 14 14 17 17 17 17 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 26 26 8 39 40 5 19 9 13 23 42 43 9 16 27 3 19 13 15 13 15 13 15 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 14 37 14 37 17 38 17 38 14 17 14 17 14 17 3 39 40 3 39 40 3 39 40 4 13 4 13 15 41 15 41 4 9 4 9 9 41 9 41 21 22 21 22 1 24 1 24 2 25 2 25 44 45 46 44 45 46 44 45 46 26 47 26 47 26 48 26 48 25 49 25 49 24 49 24 49 -12.6963 -134.1223 106.7199 6.9491 -173.752 -179.7783 0.7802 -179.8048 -59.2819 59.552 111.9395 -10.68 -127.6028 2.8406 -176.3805 0.4806 -179.5427 -119.7475 60.2291 120.7541 -59.2692 179.9255 60.812 -60.9791 -59.2602 -178.3737 59.8352 58.9998 -60.1137 178.0951 179.9222 60.283 -60.2002 57.0176 -62.6217 176.8951 -60.548 179.8128 59.3296 -60.2165 -179.8401 60.3078 62.738 -56.8857 -176.7378 -179.6855 60.6909 -59.1612 179.9641 -0.1674 -0.0131 179.8554 -179.8617 0.0999 0.116 -179.9224 171.3195 -10.2535 -71.702 106.725 50.835 -130.738 14.1345 131.1293 -101.7742 -107.7583 9.2365 136.333 130.3168 -112.6884 14.4081 -0.4059 179.0533 -178.9235 0.5358 -178.872 1.3538 -0.4347 179.791 179.091 -0.3198 -0.7789 179.8103 0.114 179.8866 -179.8482 -0.0756 -129.0839 50.8692 50.1586 -129.8882 1.2873 179.9345 -178.6686 -0.0215 1.3068 179.7884 -178.7373 -0.2557 60.3454 -60.3961 179.948 -59.1419 -179.8834 60.4607 179.8905 59.149 -60.5069 178.8632 -0.8706 0.2096 -179.5242 178.81 -0.8425 0.3295 -179.323 -0.1335 179.8359 179.5933 -0.4373 -0.124 179.9067 179.5196 -0.4498 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00162 0.00239 0.00262 0.00266 0.00276 0.00358 0.00393 0.00484 0.00656 0.01243 0.01311 0.01532 0.01640 0.01746 0.01758 0.01762 0.02055 0.02093 0.02206 0.02252 0.02309 0.02340 0.02348 0.02446 0.02779 0.02888 0.03186 0.03285 0.03486 0.03511 0.04347 0.04412 0.04432 0.04496 0.04511 0.04566 0.04578 0.04642 0.04676 0.04725 0.04732 0.04847 0.05359 0.05657 0.06055 0.06279 0.06293 0.07052 0.08894 0.09931 0.09959 0.10483 0.10994 0.11665 0.11795 0.11839 0.11881 0.12002 0.12237 0.12331 0.12367 0.12530 0.13166 0.13382 0.13594 0.14252 0.14496 0.14576 0.14604 0.15526 0.15966 0.16507 0.17703 0.17977 0.18012 0.18378 0.18465 0.18593 0.18825 0.19053 0.19761 0.20104 0.21389 0.21790 0.21978 0.22528 0.23673 0.23891 0.24368 0.25300 0.25945 0.26813 0.27070 0.27770 0.29123 0.29697 0.30877 0.31403 0.31867 0.32299 0.32368 0.32586 0.32844 0.32940 0.33002 0.33116 0.33215 0.33345 0.33362 0.33495 0.33535 0.33756 0.33973 0.34004 0.34095 0.34142 0.34305 0.34628 0.34911 0.35224 0.35338 0.35965 0.36145 0.36271 0.36383 0.36677 0.37568 0.37831 0.39317 0.39959 0.43069 0.43644 0.45149 0.45560 0.47173 0.47257 0.47416 0.48434 0.51864 0.52097 0.63527 Angle between quadratic step and forces= 76.44 degrees. 1 2 0.00055411 0.00000034 0.00000009 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 R50 R51 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 2.55705 2.56017 2.76147 2.57116 2.58813 2.72076 2.79278 2.40281 2.90734 2.90691 2.91973 2.91966 2.64875 2.64523 2.86552 2.93341 2.06199 2.65446 2.63033 2.06698 2.06755 2.06728 2.06915 2.06814 2.06507 2.06819 2.06907 2.06497 2.64061 2.03852 2.63477 2.04741 2.05562 2.06253 2.04759 2.78695 2.64026 2.64014 2.86044 2.07051 2.07057 2.61501 2.61334 2.06619 2.06604 2.06664 2.63233 2.04566 2.63320 2.04576 2.04699 1.83985 2.08770 1.86450 1.96551 1.90619 1.90791 1.88838 1.88807 1.90702 2.13250 2.09401 2.05668 1.95851 1.80917 1.89954 1.97759 1.89873 1.91792 2.06921 2.15665 2.05702 1.91068 1.95269 1.95258 1.87698 1.87678 1.89107 1.92343 1.93488 1.95050 1.88672 1.88198 1.88419 1.93487 1.92340 1.95093 1.88653 1.88452 1.88142 2.11094 2.09552 2.07673 2.01058 2.16162 2.11094 2.11277 2.09848 2.07194 1.80287 1.88362 1.87934 1.99546 1.96662 1.92648 2.11800 2.07602 2.08916 2.07170 2.01741 2.19400 2.13045 2.13178 2.02096 1.87173 1.90962 1.90963 1.93795 1.93969 1.89496 2.07117 2.06245 2.14933 2.06432 2.06571 2.15286 1.93343 1.93411 1.91378 1.89722 1.89194 1.89235 2.06921 2.08515 2.12881 2.06633 2.08697 2.12987 2.10767 2.08760 2.08792 -0.22159 -2.34088 1.86261 0.12129 -3.03255 -3.13772 0.01362 -3.13819 -1.03466 1.03938 1.95371 -0.18640 -2.22709 0.04958 -3.07842 0.00839 -3.13361 -2.08999 1.05120 2.10756 -1.03444 3.14029 1.06137 -1.06429 -1.03429 -3.11321 1.04432 1.02974 -1.04918 3.10835 3.14024 1.05214 -1.05069 0.99514 -1.09295 3.08740 -1.05676 3.13833 1.03550 -1.05098 -3.13880 1.05257 1.09498 -0.99284 -3.08466 -3.13610 1.05926 -1.03256 3.14097 -0.00292 -0.00023 3.13907 -3.13918 0.00174 0.00202 -3.14024 2.99009 -0.17896 -1.25144 1.86270 0.88724 -2.28181 0.24669 2.28864 -1.77630 -1.88074 0.16121 2.37946 2.27446 -1.96678 0.25147 -0.00708 3.12507 -3.12280 0.00935 -3.12190 0.02363 -0.00759 3.13795 3.12573 -0.00558 -0.01359 3.13828 0.00199 3.13961 -3.13894 -0.00132 -2.25294 0.88784 0.87543 -2.26698 0.02247 3.14045 -3.11836 -0.00037 0.02281 3.13790 -3.11956 -0.00446 1.05323 -1.05411 3.14069 -1.03222 -3.13956 1.05524 3.13968 1.03234 -1.05604 3.12175 -0.01520 0.00366 -3.13329 3.12082 -0.01471 0.00575 -3.12978 -0.00233 3.13873 3.13449 -0.00763 -0.00216 3.13996 3.13321 -0.00785 0.00001 0.00001 0.00002 -0.00004 -0.00002 0.00004 -0.00004 -0.00006 -0.00002 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 0.00000 -0.00003 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00003 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00002 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 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 0.00002 0.00005 0.00010 -0.00009 -0.00006 0.00019 -0.00019 -0.00009 -0.00008 -0.00004 -0.00002 -0.00009 0.00001 -0.00001 0.00000 -0.00008 0.00002 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00004 0.00001 -0.00001 0.00001 0.00002 -0.00000 -0.00000 0.00001 0.00003 -0.00002 -0.00009 -0.00004 -0.00004 -0.00004 -0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00007 0.00010 0.00000 -0.00009 0.00013 0.00001 -0.00006 0.00001 -0.00002 0.00005 -0.00003 0.00006 0.00002 0.00001 0.00002 -0.00007 -0.00004 0.00006 -0.00005 -0.00001 0.00004 0.00003 0.00009 -0.00003 -0.00008 -0.00006 0.00008 0.00004 0.00001 -0.00006 -0.00004 -0.00004 0.00005 0.00003 0.00013 -0.00006 -0.00007 -0.00010 0.00004 -0.00010 0.00005 0.00001 0.00000 -0.00002 -0.00000 0.00004 -0.00004 -0.00000 -0.00002 -0.00004 0.00007 0.00009 -0.00011 0.00002 0.00005 -0.00007 -0.00002 -0.00007 0.00009 0.00001 0.00007 -0.00008 -0.00000 -0.00010 -0.00008 0.00005 0.00003 0.00009 0.00000 -0.00006 0.00006 0.00001 -0.00006 0.00006 0.00009 0.00008 -0.00001 0.00001 -0.00009 -0.00010 -0.00001 0.00005 -0.00004 -0.00000 0.00003 -0.00003 -0.00002 0.00001 0.00001 0.00027 0.00020 0.00036 -0.00015 -0.00010 -0.00100 -0.00105 0.00083 0.00083 0.00083 0.00028 0.00021 0.00024 -0.00005 -0.00010 0.00087 0.00071 0.00092 0.00076 0.00088 0.00073 -0.00014 -0.00015 -0.00016 -0.00025 -0.00026 -0.00027 -0.00026 -0.00027 -0.00028 -0.00012 -0.00013 -0.00011 -0.00008 -0.00008 -0.00006 -0.00002 -0.00002 -0.00000 -0.00018 -0.00016 -0.00014 -0.00014 -0.00011 -0.00009 -0.00015 -0.00013 -0.00011 -0.00018 -0.00017 -0.00002 -0.00002 0.00023 0.00014 0.00008 -0.00001 -0.00009 -0.00017 -0.00001 -0.00009 -0.00010 -0.00018 -0.00030 -0.00029 -0.00030 -0.00040 -0.00039 -0.00040 -0.00029 -0.00028 -0.00029 -0.00000 0.00005 0.00007 0.00013 0.00001 0.00005 -0.00007 -0.00003 -0.00003 -0.00008 -0.00003 -0.00008 -0.00004 -0.00007 0.00005 0.00002 -0.00038 -0.00048 -0.00033 -0.00043 -0.00013 -0.00014 -0.00004 -0.00005 0.00010 0.00016 0.00000 0.00007 0.00024 0.00011 0.00019 0.00033 0.00020 0.00028 0.00016 0.00003 0.00011 0.00000 0.00001 0.00002 0.00003 0.00002 0.00003 -0.00005 -0.00004 0.00001 0.00003 -0.00000 0.00002 0.00001 -0.00001 -0.00000 -0.00003 0.00002 0.00005 0.00010 -0.00009 -0.00006 0.00019 -0.00019 -0.00009 -0.00008 -0.00004 -0.00002 -0.00009 0.00001 -0.00001 0.00000 -0.00008 0.00002 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00004 0.00001 -0.00001 0.00001 0.00002 -0.00000 -0.00000 0.00001 0.00003 -0.00002 -0.00009 -0.00004 -0.00004 -0.00004 -0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00007 0.00010 0.00000 -0.00009 0.00013 0.00001 -0.00006 0.00001 -0.00002 0.00005 -0.00003 0.00006 0.00002 0.00001 0.00002 -0.00007 -0.00004 0.00006 -0.00005 -0.00001 0.00004 0.00003 0.00009 -0.00003 -0.00008 -0.00006 0.00008 0.00004 0.00001 -0.00006 -0.00004 -0.00004 0.00005 0.00003 0.00013 -0.00006 -0.00007 -0.00010 0.00004 -0.00010 0.00005 0.00001 0.00000 -0.00002 -0.00000 0.00004 -0.00004 -0.00000 -0.00002 -0.00004 0.00007 0.00009 -0.00011 0.00002 0.00005 -0.00007 -0.00002 -0.00007 0.00009 0.00001 0.00007 -0.00008 -0.00000 -0.00010 -0.00008 0.00005 0.00003 0.00009 0.00000 -0.00006 0.00006 0.00001 -0.00006 0.00006 0.00009 0.00008 -0.00001 0.00001 -0.00009 -0.00010 -0.00001 0.00005 -0.00004 -0.00000 0.00003 -0.00003 -0.00002 0.00001 0.00001 0.00027 0.00020 0.00036 -0.00015 -0.00010 -0.00100 -0.00105 0.00083 0.00083 0.00083 0.00028 0.00021 0.00024 -0.00005 -0.00010 0.00087 0.00071 0.00092 0.00076 0.00088 0.00073 -0.00014 -0.00015 -0.00016 -0.00025 -0.00026 -0.00027 -0.00026 -0.00027 -0.00028 -0.00012 -0.00013 -0.00011 -0.00008 -0.00008 -0.00006 -0.00002 -0.00002 -0.00000 -0.00018 -0.00016 -0.00014 -0.00014 -0.00011 -0.00009 -0.00015 -0.00013 -0.00011 -0.00018 -0.00017 -0.00002 -0.00002 0.00023 0.00014 0.00008 -0.00001 -0.00009 -0.00017 -0.00001 -0.00009 -0.00010 -0.00018 -0.00030 -0.00029 -0.00030 -0.00040 -0.00039 -0.00040 -0.00029 -0.00028 -0.00029 -0.00000 0.00005 0.00007 0.00013 0.00001 0.00005 -0.00007 -0.00003 -0.00003 -0.00008 -0.00003 -0.00008 -0.00004 -0.00007 0.00005 0.00002 -0.00038 -0.00048 -0.00033 -0.00043 -0.00013 -0.00014 -0.00004 -0.00005 0.00010 0.00016 0.00000 0.00007 0.00024 0.00011 0.00019 0.00033 0.00020 0.00028 0.00016 0.00003 0.00011 0.00000 0.00001 0.00002 0.00003 0.00002 0.00003 -0.00005 -0.00004 0.00001 0.00003 -0.00000 0.00002 0.00001 -0.00001 -0.00000 -0.00003 2.55708 2.56022 2.76157 2.57107 2.58807 2.72095 2.79260 2.40272 2.90726 2.90687 2.91971 2.91957 2.64876 2.64522 2.86552 2.93333 2.06201 2.65445 2.63033 2.06698 2.06755 2.06728 2.06916 2.06813 2.06508 2.06819 2.06906 2.06497 2.64057 2.03853 2.63476 2.04742 2.05564 2.06253 2.04759 2.78696 2.64029 2.64012 2.86035 2.07046 2.07054 2.61497 2.61332 2.06617 2.06603 2.06665 2.63234 2.04565 2.63319 2.04575 2.04698 1.83984 2.08764 1.86460 1.96551 1.90610 1.90803 1.88839 1.88801 1.90703 2.13248 2.09406 2.05664 1.95857 1.80919 1.89955 1.97760 1.89866 1.91788 2.06927 2.15660 2.05701 1.91071 1.95272 1.95267 1.87695 1.87670 1.89101 1.92351 1.93493 1.95051 1.88666 1.88195 1.88414 1.93493 1.92343 1.95106 1.88646 1.88446 1.88132 2.11098 2.09542 2.07678 2.01060 2.16162 2.11092 2.11277 2.09852 2.07190 1.80286 1.88360 1.87930 1.99553 1.96672 1.92637 2.11801 2.07607 2.08909 2.07168 2.01734 2.19410 2.13047 2.13184 2.02088 1.87173 1.90952 1.90955 1.93800 1.93972 1.89505 2.07117 2.06239 2.14939 2.06432 2.06565 2.15292 1.93353 1.93419 1.91377 1.89723 1.89186 1.89225 2.06920 2.08520 2.12878 2.06633 2.08700 2.12984 2.10765 2.08761 2.08793 -0.22132 -2.34068 1.86298 0.12113 -3.03265 -3.13872 0.01257 -3.13736 -1.03383 1.04021 1.95399 -0.18619 -2.22685 0.04953 -3.07853 0.00926 -3.13290 -2.08907 1.05196 2.10844 -1.03372 3.14015 1.06122 -1.06445 -1.03453 -3.11347 1.04405 1.02948 -1.04945 3.10806 3.14011 1.05201 -1.05080 0.99507 -1.09303 3.08734 -1.05678 3.13831 1.03549 -1.05116 -3.13896 1.05243 1.09485 -0.99295 -3.08475 -3.13626 1.05913 -1.03266 3.14079 -0.00310 -0.00025 3.13905 -3.13895 0.00189 0.00211 -3.14024 2.99000 -0.17912 -1.25144 1.86262 0.88714 -2.28199 0.24639 2.28835 -1.77660 -1.88113 0.16082 2.37906 2.27417 -1.96706 0.25118 -0.00709 3.12512 -3.12273 0.00948 -3.12189 0.02367 -0.00765 3.13791 3.12570 -0.00566 -0.01362 3.13820 0.00195 3.13954 -3.13889 -0.00130 -2.25332 0.88736 0.87511 -2.26740 0.02234 3.14030 -3.11839 -0.00043 0.02290 3.13806 -3.11955 -0.00439 1.05346 -1.05401 3.14087 -1.03189 -3.13936 1.05552 3.13984 1.03237 -1.05593 3.12175 -0.01518 0.00367 -3.13326 3.12084 -0.01467 0.00570 -3.12982 -0.00232 3.13876 3.13449 -0.00761 -0.00215 3.13995 3.13321 -0.00788 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000058 0.000008 0.001938 0.000554 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -5.312164e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 736 A 710 A 710 1120 736 95 95 2310.2267736652 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0506976639 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 4.725600 0.000000 3.911049 2.836086 0.000000 6.628259 6.953124 4.457091 0.000000 2.974763 3.869900 2.264853 4.172873 0.000000 7.173541 10.025068 7.335646 5.015863 6.629629 0.000000 5.998836 8.556955 5.878001 3.711286 5.135246 1.538498 0.000000 4.190576 4.634464 2.363992 2.714240 1.477876 5.894327 4.355869 0.000000 4.396726 5.923464 3.370740 2.342435 2.485559 4.378782 2.840541 1.516365 0.000000 8.521938 10.943413 8.173847 5.132903 7.608396 1.538269 2.559956 6.646599 5.186640 0.000000 7.390183 10.716548 8.186859 5.952456 7.101462 1.545055 2.513752 6.565856 5.089274 2.497563 0.000000 7.249024 10.242271 7.570469 5.955304 7.171538 1.545016 2.515252 6.562864 5.095216 2.497255 2.519805 0.000000 6.447618 8.229417 5.503894 2.441405 4.920011 2.574646 1.401658 3.809721 2.438140 2.886089 3.613534 3.622198 0.000000 5.777922 6.996653 4.344219 1.369579 3.778274 3.859337 2.435504 2.511755 1.404681 4.281768 4.764311 4.771875 1.397350 0.000000 4.667478 7.689461 5.178145 4.141784 4.252933 2.545294 1.399794 3.841728 2.429165 3.864689 3.063510 3.057131 2.399283 2.774219 0.000000 4.770652 3.981295 1.461307 3.065961 2.382667 6.638424 5.147406 1.552293 2.563522 7.274078 7.558856 7.086902 4.485038 3.209605 4.746704 0.000000 3.694465 6.357732 3.928222 3.613819 2.861204 3.837357 2.432455 2.563351 1.391909 4.990607 4.359415 4.357275 2.773914 2.395372 1.394260 3.569320 0.000000 2.830119 2.824199 1.360598 4.822671 1.271515 7.294598 5.825176 2.211083 3.252929 8.291130 7.907418 7.616055 5.635136 4.501498 4.904182 2.245810 3.549741 0.000000 2.365808 2.362342 2.399910 6.291199 2.445539 8.333225 6.940163 3.656589 4.578768 9.456130 8.844332 8.502545 6.935021 5.891601 5.850784 3.629355 4.572134 1.474788 0.000000 8.032333 8.231772 5.759013 1.439766 5.609178 5.259381 4.262455 4.148187 3.679902 4.942093 6.261274 6.266569 2.860990 2.428508 5.056335 4.336226 4.822333 6.234293 7.704533 0.000000 1.353133 3.607331 3.550118 7.050582 3.107267 8.269926 7.003897 4.435852 5.027363 9.543703 8.606605 8.335005 7.267062 6.412038 5.749120 4.694721 4.627895 2.512951 1.397168 8.478485 0.000000 3.608732 1.354786 2.990839 7.209352 3.576961 9.639365 8.227544 4.658223 5.762094 10.707623 10.210467 9.776436 8.119014 6.996084 7.193479 4.310838 5.902543 2.513812 1.397101 8.576900 2.366986 0.000000 8.853618 8.268734 6.107751 2.378262 6.166947 6.772941 5.740086 4.726522 4.703047 6.406958 7.752155 7.751299 4.344267 3.678413 6.423997 4.653613 5.991702 6.696773 8.156656 1.513679 9.108508 8.833359 0.000000 2.348148 4.118101 4.730490 8.430098 4.448182 9.455851 8.262440 5.803650 6.402923 10.783453 9.722753 9.415431 8.605909 7.787822 6.961606 5.981000 5.926872 3.798040 2.445681 9.857014 1.383802 2.763509 10.460987 0.000000 4.120098 2.351091 4.318327 8.566251 4.795152 10.701797 9.346258 5.978973 7.007949 11.849927 11.199251 10.742428 9.353216 8.286482 8.222254 5.678248 6.990718 3.799229 2.447178 9.943613 2.767199 1.382919 10.216251 2.422285 0.000000 3.614714 3.616189 5.028891 9.099111 5.135726 10.606499 9.349032 6.451704 7.269897 11.872419 10.965928 10.566312 9.557743 8.622811 8.107795 6.383914 6.987446 4.288961 2.814173 10.513651 2.387085 2.384677 10.953418 1.392970 1.393431 0.000000 4.999196 5.069217 3.173217 2.541898 2.101430 6.323430 4.810553 1.091158 2.134439 6.924427 6.905510 7.186263 4.070543 2.725342 4.479218 2.180063 3.306345 2.985633 4.370737 3.871966 5.200870 5.245377 4.244274 6.532694 6.567902 7.114224 0.000000 9.332814 11.953481 9.185869 6.220961 8.614101 2.164375 3.497452 7.704951 6.226991 1.093799 2.713040 2.710495 3.972566 5.369658 4.690096 8.332583 5.916854 9.285472 10.399913 5.965772 10.406717 11.669790 7.400940 11.603281 12.774665 12.732087 7.998839 0.000000 8.696128 10.728590 7.908165 4.851453 7.638294 2.194940 2.842701 6.565275 5.177792 1.094098 3.473040 2.756019 2.842832 4.157141 4.171412 6.968107 5.154444 8.203677 9.410518 4.529894 9.615100 10.590117 5.940092 10.873710 11.765288 11.883005 6.878627 1.764904 0.000000 8.781313 11.053221 8.332578 4.853415 7.595234 2.194756 2.843837 6.570999 5.177053 1.093960 2.753957 3.472558 2.838861 4.154999 4.176357 7.312649 5.158160 8.398603 9.632514 4.529360 9.784374 10.877578 5.945438 11.064529 12.064166 12.137534 6.677011 1.764664 1.774101 0.000000 8.343975 11.761981 9.210571 6.900938 8.183149 2.180523 3.472043 7.640920 6.152520 2.708078 1.094949 2.761993 4.521922 5.757359 4.078342 8.587591 5.413320 8.961025 9.869393 7.075967 9.583678 11.236680 8.568614 10.657396 12.198775 11.921716 7.981741 2.462550 3.722216 3.051492 0.000000 7.608904 10.771404 8.296428 5.694703 7.021906 2.188424 2.764536 6.437337 5.028290 2.764004 1.094412 3.483082 3.557832 4.620518 3.382923 7.555480 4.484168 7.958764 8.965444 5.943347 8.798055 10.324216 7.378735 9.956753 11.357678 11.178833 6.608155 3.096788 3.781626 2.568943 1.772367 0.000000 6.662539 10.333980 7.941895 6.287619 6.750518 2.198407 2.776579 6.437754 5.020971 3.469118 1.092788 2.774513 4.049186 5.001608 2.789507 7.489295 4.048460 7.527647 8.321495 6.813781 7.936466 9.708505 8.287256 8.972938 10.607457 10.263329 6.863632 3.712476 4.345426 3.781002 1.768002 1.768987 0.000000 7.369151 9.943056 7.216407 5.698894 7.141563 2.188403 2.765869 6.430373 5.037015 2.764611 3.483106 1.094439 3.572225 4.632793 3.371283 6.720050 4.478727 7.451340 8.374531 5.952532 8.333352 9.571267 7.376746 9.432171 10.568294 10.492906 7.103466 3.094553 2.572085 3.782996 3.770661 4.339296 3.784889 0.000000 8.218649 11.326106 8.660080 6.902637 8.245147 2.180429 3.473080 7.638268 6.157464 2.706577 2.763114 1.094903 4.528297 5.763197 4.074091 8.169514 5.412025 8.701965 9.560880 7.079539 9.338250 10.839125 8.566584 10.375185 11.775943 11.551313 8.228775 2.458451 3.052984 3.719630 2.552913 3.770922 3.118118 1.772226 0.000000 6.503744 9.831742 7.291548 6.292688 6.828407 2.198636 2.779661 6.437172 5.029577 3.468949 2.773500 1.092735 4.059007 5.011270 2.784321 7.003504 4.048388 7.215990 7.950728 6.820815 7.635972 9.242134 8.288592 8.632754 10.114383 9.826777 7.155134 3.709822 3.783217 4.345127 3.114523 3.784748 2.579958 1.769184 1.767563 0.000000 7.520628 9.069100 6.329787 2.690078 5.871303 2.786009 2.154831 4.651053 3.405586 2.481358 3.881862 3.893157 1.078741 2.139460 3.384221 5.193637 3.852455 6.574223 7.917495 2.521492 8.312210 9.053626 4.026423 9.658133 10.318056 10.578721 4.771017 3.553330 2.266754 2.257592 4.623291 3.749769 4.553189 3.769751 4.631822 4.564629 0.000000 4.599961 8.177590 5.818450 5.224181 4.851055 2.742897 2.158838 4.699575 3.396919 4.244322 2.919661 2.904417 3.390029 3.857364 1.083443 5.595938 2.137587 5.426361 6.155175 6.122913 5.808758 7.524071 7.504389 6.890160 8.419807 8.128504 5.387905 4.877192 4.674611 4.681983 3.818162 3.451679 2.310881 3.427737 3.807567 2.292559 4.294558 0.000000 5.274970 4.759594 2.072939 2.849647 3.230654 6.158411 4.756767 2.232560 2.638048 6.693821 7.250560 6.490441 4.056458 2.954531 4.539985 1.087788 3.592252 3.055765 4.361945 3.952992 5.316682 5.063031 4.395387 6.591758 6.385478 7.041984 2.905974 7.730264 6.262385 6.827892 8.221513 7.343661 7.271051 5.993613 7.550285 6.496724 4.674042 5.413597 0.000000 5.604597 3.913262 2.072518 3.311628 3.009779 7.497908 6.009428 2.215257 3.406364 8.001499 8.419498 8.033216 5.178918 3.840592 5.719907 1.091445 4.546210 2.868473 4.145195 4.419990 5.362563 4.552145 4.371231 6.581455 5.924148 6.807224 2.358224 9.078917 7.652654 7.943577 9.450319 8.327974 8.410668 7.641103 9.102943 8.017140 5.757832 6.612173 1.789249 0.000000 2.632453 5.832475 3.722828 4.477881 2.479340 4.693213 3.408891 2.772869 2.138084 5.960058 5.044883 5.040295 3.857432 3.378652 2.148265 3.754174 1.083540 3.056807 3.808986 5.775936 3.655273 5.190704 6.840726 4.911713 6.166898 6.036311 3.599911 6.829723 6.159591 6.164387 6.072181 5.210409 4.528561 5.200733 6.069067 4.525501 4.935994 2.451644 3.968111 4.745115 0.000000 8.311746 8.603902 5.994484 2.078956 6.114976 4.963452 4.137680 4.662594 4.021173 4.510459 6.156245 5.789709 2.804985 2.717124 5.064756 4.646431 5.014150 6.606170 8.046466 1.095665 8.785168 8.924845 2.163878 10.149705 10.274067 10.820901 4.607855 5.487891 3.891746 4.273805 6.884035 5.997419 6.770019 5.331641 6.552613 6.432319 2.281733 6.087906 4.018579 4.840093 6.008533 0.000000 8.398158 8.992171 6.535602 2.078988 6.052632 4.985832 4.155898 4.662266 4.020147 4.537555 5.801965 6.184687 2.818636 2.718983 5.080258 5.139301 5.022420 6.838110 8.296520 1.095700 8.964314 9.253290 2.165149 10.347865 10.604488 11.091493 4.288509 5.515242 4.304507 3.916114 6.568394 5.336569 6.440168 6.031310 6.911915 6.796886 2.298755 6.105795 4.847375 5.274387 6.015420 1.779273 0.000000 8.710082 7.669849 5.594737 2.639298 6.032358 7.222848 6.111659 4.620884 4.798732 6.956373 8.313580 8.036483 4.758239 3.946406 6.672524 4.195348 6.118745 6.362789 7.783308 2.158915 8.831262 8.336639 1.093379 10.149139 9.711548 10.535387 4.262205 7.965170 6.387009 6.636460 9.155138 8.048399 8.780616 7.547561 8.899751 8.514655 4.563021 7.746382 3.873343 3.794018 6.890023 2.506937 3.074661 0.000000 8.793941 8.102751 6.170995 2.640250 5.970306 7.240131 6.125854 4.621573 4.799358 6.975664 8.057093 8.327086 4.767956 3.949164 6.686178 4.735338 6.127238 6.603902 8.042162 2.159341 9.010477 8.687563 1.093301 10.348253 10.060716 10.813732 3.915985 7.985740 6.647801 6.413883 8.922531 7.571374 8.531274 8.058185 9.169099 8.794932 4.573051 7.762405 4.727331 4.333807 6.897703 3.074030 2.509034 1.776911 0.000000 9.901203 9.312339 7.154298 3.333448 7.249355 7.219076 6.363918 5.801968 5.675697 6.627740 8.208335 8.208565 4.966692 4.535971 7.201168 5.707552 6.908543 7.779144 9.239147 2.144911 10.183963 9.905858 1.093620 11.539240 11.288390 12.035082 5.318859 7.539471 6.105909 6.110096 8.932382 7.811167 8.851037 7.811436 8.931152 8.853242 4.433566 8.266914 5.370655 5.412894 7.809038 2.498509 2.500301 1.773800 1.773998 0.000000 2.567457 5.200333 5.623494 9.070810 5.146370 9.571311 8.493833 6.500966 6.917876 10.973277 9.709898 9.460997 8.994699 8.304459 7.134927 6.812997 6.248591 4.648395 3.412588 10.491106 2.135579 3.845696 11.199071 1.082516 3.413546 2.170046 7.245243 11.724544 11.140767 11.292217 10.588292 9.988634 8.873624 9.566232 10.358809 8.595578 10.065061 6.901150 7.368458 7.489820 5.184983 10.760821 10.913267 10.947939 11.098975 12.268047 0.000000 5.202409 2.572986 4.998269 9.295484 5.673268 11.684086 10.308438 6.777473 7.896087 12.789793 12.226243 11.720797 10.241885 9.126065 9.226166 6.334192 7.974982 4.649634 3.414183 10.635951 3.849420 2.135940 10.787201 3.413908 1.082568 2.171129 7.298858 13.730793 12.658586 12.993650 13.231493 12.373394 11.658723 11.498106 12.760376 11.116820 11.174757 9.459860 7.039075 6.435184 7.192178 10.970845 11.343899 10.214405 10.614083 11.843265 4.327190 0.000000 4.489915 4.493044 6.085401 10.180824 6.200411 11.545058 10.330850 7.531277 8.327338 12.845622 11.859319 11.446180 10.593394 9.686685 9.059853 7.456230 7.986847 5.372179 3.897391 11.595591 3.370467 3.368647 12.032164 2.145887 2.146495 1.083219 8.182873 13.678071 12.872150 13.134990 12.788872 12.097147 11.110374 11.388963 12.402732 10.659397 11.622221 9.007721 8.098123 7.860378 7.006837 11.893898 12.169597 11.602816 11.885873 13.113441 2.501511 2.503271 0.000000 C21H23F2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6069,-2.272,-.5671;-4.8123,1.7634,.5202;-2.0556,1.2786,.9773;2.0621,2.4243,-.2864;-1.534,.457,-1.0677;4.5087,-1.9188,.2716;3.2428,-1.0806,.0226;-.3616,1.2647,-.6714;.873,.4127,-.4493;5.7629,-1.0509,.4716;4.7515,-2.8456,-.9405;4.3107,-2.7792,1.5395;3.2714,.3201,-.0209;2.1057,1.0559,-.2497;2.0103,-1.7156,-.1701;-.8391,1.9999,.6097;.8496,-.9781,-.4003;-2.36,.5087,-.1024;-3.6429,-.2147,-.0277;3.273,3.18,-.0979;-3.7365,-1.5866,-.2752;-4.8407,.4277,.2959;2.9055,4.6457,-.1864;-4.9277,-2.2878,-.2101;-6.0578,-.2249,.3689;-6.0917,-1.5943,.1135;-.151,1.99,-1.4589;6.6289,-1.6961,.6453;5.6665,-.3883,1.3369;5.9794,-.4385,-.4087;5.6508,-3.4494,-.7807;4.8921,-2.2617,-1.8555;3.9141,-3.5288,-1.1022;4.1308,-2.1475,2.415;5.2054,-3.3802,1.7321;3.4645,-3.463,1.4374;4.2016,.8464,.1253;1.9433,-2.7966,-.143;-.147,1.9374,1.4466;-1.1142,3.039,.4207;-.0926,-1.4923,-.5484;3.703,2.9408,.881;3.9973,2.9068,-.8734;2.1813,4.9115,.5884;2.475,4.88,-1.1637;3.8006,5.2584,-.0472;-4.9304,-3.3524,-.4058;-6.9507,.3356,.6146;-7.034,-2.1258,.1666; 0.3336022 0.1029712 0.0821069 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= 710 RedAO= T EigKep= 1.17D-06 NBF= 710 NBsUse= 704 1.00D-06 EigRej= 8.64D-07 NBFU= 704 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= 724 724 724 724 724 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1219.35718423998 -1219.35718424 1 1.214324705911e+03 -7.469825281025e+03 2.725968183685e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323523334 LenY= 11322980902 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 49. Will process 50 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 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. 15254 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 720000000 NMat= 147 IRICut= 367 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 5.79D-14 1.00D-09 XBig12= 3.05D+02 6.86D+00. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 5.79D-14 1.00D-09 XBig12= 5.40D+01 1.43D+00. 147 vectors produced by pass 2 Test12= 5.79D-14 1.00D-09 XBig12= 3.81D-01 6.42D-02. 147 vectors produced by pass 3 Test12= 5.79D-14 1.00D-09 XBig12= 1.83D-03 2.68D-03. 147 vectors produced by pass 4 Test12= 5.79D-14 1.00D-09 XBig12= 4.59D-06 1.82D-04. 123 vectors produced by pass 5 Test12= 5.79D-14 1.00D-09 XBig12= 7.87D-09 6.14D-06. 49 vectors produced by pass 6 Test12= 5.79D-14 1.00D-09 XBig12= 1.18D-11 2.52D-07. 3 vectors produced by pass 7 Test12= 5.79D-14 1.00D-09 XBig12= 1.67D-14 1.12D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 910 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 354.06 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 425.759 7.207 388.302 -6.370 10.647 248.134 439.256 4.609 429.367 -11.547 14.659 287.535 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT65450.800S 2024-08-23T11:51:50.000 -24.70618 -24.70534 -19.16791 -19.15313 -14.30697 -10.28364 -10.28337 -10.28107 -10.23276 -10.22515 -10.22149 -10.21652 -10.21271 -10.20044 -10.19183 -10.19161 -10.18496 -10.17905 -10.17636 -10.16895 -10.16648 -10.16055 -10.15896 -10.15030 -10.15017 -10.15003 -1.24571 -1.24498 -1.09897 -1.06574 -0.92049 -0.89066 -0.86120 -0.82106 -0.80354 -0.77411 -0.77133 -0.76273 -0.73524 -0.71972 -0.68029 -0.67914 -0.66082 -0.65345 -0.64252 -0.63984 -0.59975 -0.59354 -0.58224 -0.56767 -0.55311 -0.54323 -0.52600 -0.51451 -0.50694 -0.50178 -0.49466 -0.48896 -0.48236 -0.48031 -0.47807 -0.47419 -0.45453 -0.45050 -0.43814 -0.43450 -0.43079 -0.42205 -0.42005 -0.40882 -0.40429 -0.40003 -0.39585 -0.38924 -0.38739 -0.38123 -0.37910 -0.37459 -0.37250 -0.36991 -0.36766 -0.35985 -0.35735 -0.34945 -0.34538 -0.33019 -0.31722 -0.31505 -0.31269 -0.29488 -0.28106 -0.26580 -0.25970 -0.24835 -0.22113 -0.05137 -0.02283 -0.00994 -0.00141 0.00277 0.01024 0.01389 0.01686 0.01852 0.02740 0.03000 0.03039 0.03283 0.03881 0.04098 0.04622 0.04859 0.05257 0.05671 0.05933 0.06134 0.06255 0.06660 0.06813 0.07078 0.07537 0.07885 0.08430 0.08604 0.08857 0.09187 0.09332 0.09835 0.10213 0.10370 0.10755 0.10972 0.11240 0.11666 0.12109 0.12248 0.12462 0.12695 0.13000 0.13331 0.13454 0.13767 0.14035 0.14389 0.14606 0.14744 0.15056 0.15590 0.15912 0.16033 0.16469 0.16627 0.16766 0.17219 0.17517 0.17581 0.17834 0.18321 0.18530 0.18636 0.19346 0.19386 0.19593 0.19829 0.20120 0.20371 0.20440 0.20598 0.20872 0.21059 0.21275 0.21444 0.21965 0.21980 0.22311 0.22457 0.22659 0.22988 0.23347 0.23504 0.23884 0.24016 0.24214 0.24339 0.24566 0.25139 0.25170 0.25361 0.25636 0.25741 0.25975 0.26341 0.26712 0.26962 0.27152 0.27544 0.27637 0.28063 0.28314 0.28765 0.28920 0.28931 0.29221 0.29778 0.29935 0.30175 0.30566 0.31039 0.31610 0.32008 0.32124 0.32634 0.32855 0.33391 0.33698 0.34094 0.34123 0.34468 0.35082 0.35375 0.35641 0.36002 0.36029 0.36545 0.36996 0.37286 0.37546 0.38250 0.38410 0.38932 0.39584 0.40100 0.40558 0.41030 0.41459 0.41756 0.42020 0.42123 0.42751 0.42987 0.44235 0.44567 0.45415 0.46046 0.47439 0.47750 0.47993 0.48606 0.48899 0.49988 0.50273 0.50882 0.51657 0.51853 0.52656 0.52843 0.53216 0.53671 0.54465 0.54816 0.55199 0.55684 0.56104 0.56491 0.56603 0.57378 0.57813 0.58382 0.59298 0.59740 0.60278 0.60433 0.61033 0.61508 0.61610 0.62062 0.62314 0.62575 0.63236 0.64141 0.64597 0.64797 0.65441 0.65663 0.66373 0.66616 0.66826 0.67249 0.68174 0.68286 0.69087 0.69382 0.69667 0.70004 0.70319 0.70763 0.71061 0.71586 0.71629 0.72193 0.72463 0.72985 0.73294 0.73556 0.73853 0.74203 0.74467 0.74821 0.75712 0.76053 0.76590 0.77014 0.77480 0.78409 0.78531 0.79422 0.79528 0.79942 0.80804 0.81360 0.81979 0.82536 0.82641 0.84062 0.84168 0.84633 0.85844 0.86367 0.86731 0.87469 0.88903 0.90088 0.91570 0.92287 0.92776 0.93946 0.94621 0.94838 0.95547 0.97081 0.97321 0.97875 0.98884 0.99879 1.00533 1.00877 1.01251 1.01853 1.02122 1.03398 1.04623 1.05028 1.05944 1.07021 1.08042 1.08337 1.08519 1.10129 1.10533 1.11104 1.12007 1.12520 1.12831 1.14374 1.15228 1.16071 1.16469 1.18175 1.18929 1.20193 1.21598 1.22127 1.22567 1.23396 1.25005 1.25595 1.27091 1.28357 1.29450 1.29794 1.30286 1.32037 1.32499 1.32946 1.35941 1.39610 1.39806 1.40845 1.42958 1.43518 1.43887 1.44500 1.45094 1.45349 1.45912 1.46500 1.46896 1.47007 1.47130 1.47771 1.48426 1.49194 1.50163 1.50946 1.52011 1.52882 1.53167 1.53361 1.53529 1.53691 1.54920 1.55848 1.56347 1.56974 1.57454 1.57812 1.57885 1.58211 1.58591 1.59047 1.59296 1.60213 1.60698 1.60952 1.61786 1.62188 1.62620 1.64041 1.64905 1.65451 1.65689 1.65847 1.66686 1.66880 1.67520 1.68921 1.69234 1.69490 1.70635 1.70939 1.71317 1.72579 1.73163 1.74250 1.74454 1.75632 1.76373 1.77256 1.78105 1.78299 1.78588 1.79007 1.79784 1.81264 1.83089 1.83854 1.84480 1.85262 1.85670 1.86151 1.86865 1.88226 1.88553 1.88978 1.90221 1.90553 1.90661 1.92342 1.93304 1.93938 1.94266 1.95143 1.95975 1.96405 1.96805 1.97635 1.97885 1.99368 2.00157 2.00791 2.01661 2.01836 2.03432 2.04237 2.04660 2.05927 2.06602 2.07453 2.08532 2.10759 2.11595 2.12731 2.12995 2.14051 2.14812 2.14991 2.16758 2.17809 2.17898 2.20048 2.21441 2.21702 2.22344 2.23145 2.25168 2.25620 2.25960 2.26944 2.29222 2.29631 2.31307 2.32595 2.33149 2.36002 2.36779 2.37564 2.38787 2.40628 2.41628 2.43848 2.44785 2.45610 2.46449 2.47290 2.48933 2.49105 2.49893 2.51428 2.53045 2.53323 2.53450 2.53764 2.54086 2.55624 2.55897 2.56717 2.57358 2.57762 2.58165 2.59542 2.59948 2.60817 2.62217 2.62815 2.64369 2.64513 2.65876 2.66004 2.67386 2.67549 2.68209 2.68911 2.69311 2.69614 2.71955 2.72614 2.73959 2.74344 2.75252 2.75671 2.76343 2.76796 2.76979 2.77233 2.78504 2.78690 2.80153 2.80433 2.81048 2.82451 2.83781 2.85421 2.85708 2.86430 2.87076 2.88296 2.88956 2.89419 2.90226 2.91938 2.94788 2.96028 2.96921 2.98143 2.99110 2.99653 3.02688 3.03261 3.06440 3.06736 3.07912 3.08864 3.09259 3.11359 3.12068 3.12958 3.14037 3.16798 3.17503 3.18046 3.20065 3.20369 3.21677 3.22063 3.24469 3.26126 3.27901 3.29078 3.31427 3.32059 3.34262 3.37958 3.39509 3.41790 3.44268 3.47659 3.52919 3.55547 3.60930 3.62264 3.63081 3.63768 3.66200 3.74363 3.78005 3.78145 3.78232 3.79288 3.79400 3.79590 3.81206 3.81710 3.82104 3.82267 3.83080 3.85196 3.86614 3.87028 3.88033 3.88884 3.95831 3.96710 3.97169 4.02614 4.04059 4.07151 4.10504 4.10834 4.11770 4.12730 4.13155 4.14711 4.20048 4.24597 4.25895 4.28887 4.30450 4.32626 4.36033 4.45620 4.58695 4.81969 4.87378 4.88324 4.89203 4.97208 5.07366 5.09492 5.44693 5.46614 5.71244 5.81839 6.31903 6.34095 6.47520 6.48889 6.72746 6.79915 23.52141 23.62523 23.82710 23.82840 23.85910 23.87243 23.89563 23.93032 23.94443 23.96025 23.97909 23.98008 23.99035 23.99097 24.00732 24.04188 24.07321 24.07984 24.10724 24.17231 24.19678 35.66237 49.93894 49.99755 66.79311 66.81078 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 F F O O N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.159861 -0.175316 -0.048668 -0.149155 -0.026818 0.381062 0.453302 0.239332 0.358426 -0.558170 -0.624082 -0.619480 -0.316531 -0.027073 -0.561507 -0.188127 -0.542891 0.337107 0.940281 0.107890 -1.288729 -0.239469 -0.694894 -0.199932 0.116431 -0.298533 0.200852 0.160710 0.149977 0.150097 0.148946 0.147677 0.152597 0.147882 0.148786 0.151502 0.168480 0.141872 0.196934 0.194769 0.169206 0.172550 0.169742 0.155662 0.159233 0.163928 0.174978 0.175969 0.183054 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 F F O O N C C C C C C C C C C C C C C C C C C C C C -0.159861 -0.175316 -0.048668 -0.149155 -0.026818 0.381062 0.453302 0.440185 0.358426 -0.097386 -0.174862 -0.171310 -0.148051 -0.027073 -0.419635 0.203576 -0.373685 0.337107 0.940281 0.450183 -1.288729 -0.239469 -0.216071 -0.024954 0.292399 -0.115479 0.00000 4.27912588e-01 2.31582278e-01 6.40316110e-01 4.25759082e+02 7.20726846e+00 3.88301695e+02 -6.37039447e+00 1.06474027e+01 2.48134150e+02 -4.1167 -2.6963 -0.0012 -0.0008 0.0003 7.4899 17.8373 21.5250 25.4876 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.6678 21.4840 25.4536 36.2363 57.5263 70.2889 79.2797 86.4093 94.2031 99.2289 134.8626 167.2550 192.4943 197.4170 224.6092 242.6238 243.2743 247.0079 264.4430 274.3602 279.7693 295.8858 302.8030 329.3326 346.0228 362.3059 373.1652 382.8719 398.9875 416.2363 450.9997 467.8472 483.8310 505.9473 521.0947 539.0816 561.4080 572.7291 596.9570 604.8295 624.1529 662.3642 675.7818 705.6817 737.3447 757.1050 763.9362 782.0020 797.4518 816.6076 820.7411 846.0579 851.3098 874.4834 894.2461 904.6491 911.7858 933.6782 942.9792 944.9705 968.9729 971.0108 981.4956 987.1789 992.9334 998.1747 1020.0808 1046.7749 1048.3507 1051.2660 1053.3785 1069.7026 1100.3928 1125.1170 1130.8608 1155.4182 1172.1397 1175.0639 1213.4339 1220.0627 1223.6791 1224.9220 1242.9146 1247.5534 1264.4275 1269.7345 1287.0370 1307.4392 1313.3231 1314.2074 1326.4123 1333.3008 1362.2780 1377.6107 1397.1468 1399.0686 1400.1087 1425.8440 1427.2257 1434.9081 1469.9936 1476.3496 1480.8262 1483.3337 1483.6276 1485.0024 1494.5597 1497.0266 1499.8891 1504.8636 1508.2440 1509.6909 1534.2775 1604.4292 1612.9648 1642.1770 1658.5959 1702.4772 3013.0482 3014.3979 3015.6444 3023.1301 3029.8397 3053.7609 3067.7971 3076.3360 3077.4086 3078.3754 3084.7317 3085.3803 3091.5945 3094.7147 3100.2168 3102.0014 3145.7964 3176.7880 3191.8940 3192.0215 3207.0973 3212.4276 3235.4247 7.1314 4.5322 5.6204 2.8005 5.1576 4.5083 6.3849 4.1527 2.1880 2.7534 4.9135 3.3150 6.8625 4.4995 3.6223 4.7689 1.2428 3.1622 1.3199 2.4050 3.8441 1.4174 3.1493 3.2732 1.0988 2.9399 4.0074 6.5475 2.6938 6.9395 3.4316 3.3214 3.2283 4.9245 5.6133 3.8627 4.0140 5.8867 5.5873 5.1749 5.6692 4.7453 3.7630 4.8075 3.3328 2.8597 6.4409 3.9556 2.1256 3.8640 3.1855 1.1444 1.4786 1.5643 2.5513 1.4165 9.0542 1.7663 6.7483 1.7115 1.2160 2.9848 1.3774 3.2082 1.3204 4.9567 5.0003 1.9390 1.8793 2.9559 1.3959 3.0961 2.0204 2.2854 2.0603 1.9595 1.5240 1.1384 1.3372 2.6868 2.0985 1.6157 2.2540 1.9900 2.3791 3.1299 3.3733 2.3435 1.1733 1.7687 2.4148 6.2365 1.7651 1.5897 1.2422 1.2064 1.2478 1.2177 1.3750 2.7897 1.0371 1.0456 1.0479 1.0538 2.7870 1.0586 1.0680 1.9327 1.0499 1.5147 1.1026 1.0932 2.4022 6.7052 6.9176 6.2676 8.6416 10.8710 1.0555 1.0354 1.0352 1.0363 1.0353 1.1087 1.0711 1.1025 1.1023 1.0767 1.1017 1.1024 1.1016 1.1007 1.1021 1.1044 1.1084 1.0874 1.0892 1.0937 1.0931 1.0977 1.0887 0.0013 0.0012 0.0021 0.0022 0.0101 0.0131 0.0236 0.0183 0.0114 0.0160 0.0527 0.0546 0.1498 0.1033 0.1077 0.1654 0.0433 0.1137 0.0544 0.1067 0.1773 0.0731 0.1701 0.2092 0.0775 0.2274 0.3288 0.5655 0.2527 0.7084 0.4112 0.4283 0.4453 0.7427 0.8981 0.6614 0.7454 1.1377 1.1731 1.1154 1.3012 1.2266 1.0125 1.4105 1.0676 0.9658 2.2147 1.4252 0.7964 1.5181 1.2643 0.4826 0.6314 0.7048 1.2020 0.6830 4.4349 0.9072 3.5355 0.9005 0.6727 1.6581 0.7818 1.8421 0.7670 2.9098 3.0656 1.2518 1.2169 1.9247 0.9126 2.0873 1.4414 1.7046 1.5524 1.5413 1.2337 0.9261 1.1601 2.3564 1.8514 1.4283 2.0516 1.8248 2.2411 2.9730 3.2922 2.3602 1.1924 1.7998 2.5031 6.5321 1.9300 1.7775 1.4287 1.3913 1.4411 1.4586 1.6502 3.3842 1.3204 1.3427 1.3539 1.3662 3.6144 1.3755 1.4056 2.5520 1.3916 2.0210 1.4778 1.4681 3.3317 10.1696 10.6036 9.9584 14.0063 18.5645 5.6456 5.5432 5.5468 5.5804 5.5995 6.0915 5.9390 6.1474 6.1504 6.0117 6.1764 6.1831 6.2035 6.2109 6.2409 6.2611 6.4626 6.4656 6.5381 6.5657 6.6245 6.6743 6.7147 0.1042 1.9779 0.7774 0.4808 0.2168 0.2134 4.5298 2.9538 0.5894 5.5181 1.2461 0.7658 1.0223 0.8793 0.9794 0.0614 0.0907 1.1023 1.7335 1.1802 1.7804 2.0543 1.7638 1.9539 0.1265 1.2990 1.1200 0.9767 0.4023 1.0876 0.0421 2.2913 6.1830 0.5083 8.1405 10.4063 6.5211 11.4391 10.5369 13.5899 10.9399 10.6711 7.4324 31.2783 44.1514 8.8621 0.6121 0.5937 33.5341 66.0118 5.6403 4.4379 30.0714 28.9171 16.6550 0.0359 30.0300 2.6051 108.5872 4.2297 1.2278 92.0130 0.9844 54.8503 3.3755 194.0351 63.1353 75.9233 52.0884 54.2822 0.5454 117.0947 64.2138 26.7228 27.9761 41.2245 6.8040 0.2027 10.8270 8.9627 22.2616 20.6820 148.6611 213.0090 102.1144 62.7411 138.5446 58.4808 4.1065 25.0940 39.8389 8.0388 15.7240 45.8074 0.8937 11.3381 5.3155 1.3826 97.9786 81.9806 12.9408 0.0020 0.0534 0.9044 193.6232 4.5783 16.0325 14.0735 12.5707 30.7316 10.0822 26.3257 77.8755 92.5862 94.7800 81.3704 121.2966 490.8763 53.5528 54.2169 41.8691 40.8029 23.5009 27.9498 21.7571 15.0513 31.4945 43.9359 116.6851 69.5183 22.2277 81.3262 39.9503 53.1875 20.6144 5.6939 3.6261 10.5963 0.0877 0.0887 3.2361 0.01 -0.05 0.31 -0.03 0.08 -0.28 -0.02 0.04 -0.03 -0.02 -0.02 0.05 0.00 -0.05 0.01 0.04 0.00 -0.07 0.03 -0.01 -0.05 0.00 -0.04 -0.01 0.01 -0.03 -0.01 0.03 0.02 -0.04 0.06 0.05 -0.10 0.06 -0.04 -0.10 0.01 -0.01 -0.01 -0.00 -0.02 0.01 0.04 -0.02 -0.07 0.01 -0.01 -0.03 0.03 -0.03 -0.05 -0.01 -0.01 -0.00 -0.02 0.01 0.01 -0.05 -0.00 0.13 -0.01 -0.02 0.17 -0.03 0.05 -0.13 -0.07 -0.01 0.21 -0.02 -0.00 0.18 -0.04 0.07 -0.13 -0.03 0.04 0.02 -0.01 -0.06 -0.03 0.04 0.03 -0.06 0.02 -0.01 -0.02 0.02 0.05 -0.02 0.07 0.06 -0.12 0.05 0.08 -0.08 0.07 0.04 -0.12 0.05 -0.07 -0.08 0.07 -0.03 -0.12 0.07 -0.05 -0.12 0.00 0.00 0.01 0.06 -0.02 -0.10 0.00 -0.03 -0.02 0.05 -0.00 -0.04 0.04 -0.04 -0.07 -0.08 -0.05 0.14 -0.01 0.06 0.14 -0.11 -0.07 0.20 -0.04 0.04 0.20 -0.09 0.01 0.28 -0.01 -0.03 0.30 -0.05 0.10 -0.25 -0.04 0.05 0.03 0.04 0.02 -0.05 0.02 -0.01 0.04 0.04 0.05 -0.10 -0.01 0.00 -0.05 -0.01 0.01 -0.10 -0.06 -0.02 0.04 -0.04 -0.01 -0.02 0.00 0.02 -0.14 -0.01 0.01 -0.11 -0.06 -0.02 0.11 0.00 -0.01 0.05 -0.13 -0.02 0.03 -0.03 -0.01 -0.01 -0.02 -0.00 -0.05 -0.03 -0.00 -0.09 0.02 0.07 -0.16 -0.02 0.01 -0.13 0.02 0.03 -0.08 0.03 0.01 -0.01 -0.03 -0.00 0.13 0.05 0.00 0.01 0.04 -0.02 0.06 -0.03 -0.00 0.17 0.07 -0.02 0.10 0.06 -0.04 0.14 0.07 -0.05 0.16 0.01 -0.01 -0.17 -0.07 -0.03 0.15 -0.10 -0.03 0.11 -0.01 -0.02 0.12 -0.01 -0.02 0.09 0.06 -0.01 0.06 0.01 -0.00 -0.00 -0.17 -0.02 0.02 -0.14 -0.03 0.07 -0.12 -0.02 -0.02 -0.03 -0.01 0.04 -0.04 0.00 -0.10 0.04 0.12 -0.17 -0.01 0.05 -0.20 -0.01 0.01 -0.17 -0.14 -0.06 0.16 0.05 0.04 0.19 -0.12 -0.05 0.11 0.08 0.05 0.14 -0.05 -0.00 0.31 0.08 -0.03 0.11 0.06 -0.06 0.19 0.09 -0.07 0.23 0.17 0.03 0.11 -0.07 -0.05 -0.10 -0.00 0.00 0.05 0.04 0.04 0.03 -0.01 0.13 -0.00 -0.10 -0.05 -0.03 -0.08 0.00 -0.01 -0.01 0.12 0.04 -0.03 0.08 0.03 -0.06 -0.10 -0.08 -0.18 -0.08 -0.02 -0.11 -0.01 -0.01 -0.03 0.00 -0.00 -0.01 0.04 0.02 -0.10 0.04 0.01 -0.03 0.06 0.07 -0.08 0.08 0.03 0.00 0.06 0.01 0.04 -0.01 -0.00 0.08 -0.00 -0.03 0.12 -0.02 0.05 -0.00 -0.06 -0.06 0.14 0.01 -0.03 0.16 -0.08 0.03 0.03 -0.12 -0.08 0.11 -0.13 -0.03 0.01 0.15 0.08 -0.08 -0.13 -0.10 -0.01 -0.08 -0.09 -0.07 -0.12 -0.10 -0.20 -0.12 -0.03 -0.18 -0.11 -0.03 -0.21 -0.05 0.02 -0.05 0.01 -0.01 -0.13 -0.05 -0.02 -0.14 0.02 0.03 -0.01 -0.03 -0.02 -0.14 0.05 0.01 -0.02 0.07 0.06 -0.07 0.06 0.09 -0.10 0.12 0.04 0.11 -0.01 -0.04 0.04 -0.04 -0.05 0.18 0.05 -0.01 0.11 0.02 -0.02 0.17 -0.03 -0.07 0.22 -0.09 0.07 -0.01 -0.16 -0.12 0.14 -0.18 -0.04 0.01 0.00 0.02 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.03 -0.00 0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.03 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.05 0.00 0.21 0.09 0.16 -0.09 -0.06 -0.17 -0.11 -0.01 -0.00 0.04 -0.01 0.00 0.02 -0.01 0.00 -0.01 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.01 0.02 -0.01 -0.06 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.04 -0.00 -0.14 0.01 -0.01 0.02 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 0.01 0.01 -0.05 0.00 0.21 -0.14 -0.09 0.27 0.02 0.10 0.29 0.09 0.15 -0.11 0.13 0.28 -0.01 0.11 0.17 -0.23 -0.14 -0.29 -0.04 -0.05 -0.16 -0.13 -0.03 -0.19 -0.25 -0.01 -0.00 0.06 -0.01 -0.00 -0.04 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.03 0.05 0.05 -0.07 -0.02 -0.06 -0.07 0.07 0.05 -0.13 0.00 -0.06 -0.14 0.05 -0.01 -0.21 0.02 -0.01 0.02 -0.00 -0.01 -0.00 0.01 -0.02 0.01 0.01 0.06 -0.10 -0.08 0.00 -0.03 -0.10 0.17 -0.14 0.00 -0.03 0.05 0.03 -0.06 -0.01 0.04 -0.02 -0.03 0.01 -0.02 0.10 0.02 -0.03 -0.02 -0.00 -0.03 0.11 0.05 -0.01 -0.10 -0.06 0.05 -0.10 0.17 -0.09 -0.06 0.01 -0.02 0.08 0.00 -0.03 0.09 -0.00 -0.02 0.18 -0.05 0.10 -0.12 -0.01 -0.03 0.18 -0.03 0.05 -0.07 -0.02 0.04 -0.06 0.01 -0.02 0.03 0.01 0.03 -0.04 -0.03 -0.00 -0.00 0.00 -0.02 0.02 0.04 -0.01 0.03 -0.00 -0.05 0.07 0.03 -0.05 0.09 0.07 -0.11 -0.08 0.07 -0.01 -0.19 0.11 -0.04 -0.07 -0.03 0.02 -0.10 -0.03 0.06 -0.22 -0.17 0.10 -0.09 -0.06 0.04 -0.05 0.25 -0.13 -0.01 0.19 -0.09 -0.18 0.16 -0.08 -0.01 0.01 -0.02 0.03 -0.01 -0.02 0.22 -0.11 0.16 -0.07 -0.00 0.09 -0.24 -0.01 -0.03 0.21 0.02 -0.01 0.02 -0.00 -0.03 0.02 0.01 -0.02 0.03 -0.01 -0.04 0.02 0.00 -0.02 -0.00 0.07 -0.01 0.04 -0.01 -0.08 0.12 0.05 -0.09 0.16 -0.03 0.01 -0.07 -0.02 0.02 -0.09 -0.04 -0.01 -0.03 -0.04 0.01 0.28 0.02 0.01 -0.02 0.02 -0.00 -0.01 0.02 -0.00 -0.04 0.01 0.00 0.02 0.01 0.00 0.01 0.03 -0.01 -0.05 0.02 -0.07 0.04 -0.01 0.07 0.03 -0.01 0.01 0.12 -0.01 0.00 0.14 0.05 -0.01 -0.18 -0.01 -0.03 0.03 0.04 -0.01 -0.15 -0.01 0.01 -0.05 -0.02 0.01 -0.06 0.01 0.01 0.00 -0.02 0.00 -0.02 -0.01 0.01 -0.03 0.03 0.00 -0.14 -0.01 -0.01 0.08 0.00 -0.00 0.08 0.01 -0.02 0.14 0.02 0.02 0.05 0.03 -0.01 -0.06 0.05 0.00 -0.06 0.01 -0.02 -0.07 0.02 -0.06 0.08 0.03 -0.12 0.01 0.02 -0.08 0.07 -0.01 0.12 -0.00 -0.03 0.05 0.07 -0.03 0.09 0.05 -0.03 0.01 0.24 0.07 -0.01 -0.30 -0.04 -0.09 0.05 0.03 -0.02 0.07 0.06 -0.01 -0.26 0.15 0.13 -0.03 -0.12 -0.12 -0.07 0.16 0.13 -0.07 -0.12 -0.13 -0.11 0.06 0.00 -0.37 -0.00 -0.02 0.12 0.01 -0.01 0.11 0.02 -0.03 0.22 0.12 0.11 0.14 -0.11 -0.02 0.19 -0.01 0.22 -0.03 -0.06 -0.05 0.08 -0.01 -0.06 0.08 0.02 -0.03 -0.01 0.02 -0.04 -0.04 0.01 -0.05 -0.03 0.00 -0.06 -0.02 0.02 -0.03 -0.00 0.05 -0.07 0.03 -0.01 0.01 0.02 -0.00 -0.03 0.03 -0.01 -0.05 0.03 0.04 -0.05 -0.12 0.07 0.08 -0.08 0.03 -0.06 -0.10 -0.01 0.08 0.07 0.00 0.06 0.10 -0.08 -0.00 -0.00 0.07 0.07 0.04 -0.04 0.00 0.06 -0.15 -0.02 -0.08 0.08 0.03 -0.13 -0.03 -0.04 -0.10 0.03 -0.02 -0.21 0.00 -0.12 -0.10 0.02 -0.02 0.01 0.01 -0.02 -0.01 0.02 -0.04 -0.01 0.05 -0.06 0.08 0.08 -0.10 0.02 0.06 -0.08 0.03 -0.04 0.03 -0.01 -0.02 0.01 0.06 -0.01 0.00 0.01 -0.02 -0.02 0.09 0.06 -0.06 -0.18 0.05 0.06 -0.07 0.17 0.09 -0.15 0.04 -0.07 -0.15 -0.04 0.07 -0.00 -0.10 -0.02 -0.01 -0.14 -0.01 -0.08 -0.20 -0.11 -0.08 -0.18 0.03 -0.15 0.14 0.04 -0.19 -0.07 -0.09 -0.14 0.04 -0.05 -0.35 0.00 -0.09 0.04 0.16 -0.00 0.03 0.11 -0.08 0.01 -0.05 0.01 0.08 0.01 0.01 -0.05 -0.04 -0.01 -0.01 -0.04 0.01 0.07 0.01 0.02 -0.07 -0.02 0.01 0.01 -0.02 -0.04 -0.07 -0.13 0.01 -0.05 0.02 -0.04 -0.02 -0.04 0.01 0.12 -0.03 0.01 0.08 -0.04 0.01 0.04 -0.01 0.06 -0.11 -0.03 0.01 0.01 0.07 -0.05 0.00 0.07 -0.05 0.03 -0.09 0.05 0.10 0.02 -0.04 0.02 0.09 0.00 0.01 -0.12 0.03 -0.12 -0.01 0.01 -0.03 0.06 0.06 -0.04 0.01 0.07 -0.06 0.04 -0.01 -0.09 -0.01 -0.05 -0.14 0.05 -0.06 -0.05 -0.07 -0.02 -0.07 -0.11 0.02 -0.13 -0.21 0.04 -0.05 -0.14 0.01 0.00 0.11 -0.06 0.01 0.02 -0.08 -0.10 -0.01 -0.01 0.02 -0.04 0.01 0.16 -0.04 0.01 0.02 0.04 0.24 -0.14 -0.18 0.01 -0.19 -0.02 0.02 -0.02 -0.17 0.18 0.17 -0.01 -0.02 0.20 -0.22 0.11 -0.24 -0.01 -0.11 -0.20 -0.16 0.08 -0.10 -0.06 0.02 -0.04 0.08 0.10 -0.05 -0.02 0.11 -0.10 -0.02 -0.02 0.03 -0.03 -0.02 0.03 -0.03 0.02 -0.01 0.03 0.01 -0.03 -0.02 -0.03 0.01 0.01 0.03 -0.01 0.00 0.01 -0.01 -0.02 -0.01 -0.01 -0.00 0.01 -0.02 0.00 0.04 -0.02 0.02 0.02 -0.00 0.02 0.03 -0.00 -0.01 0.01 0.02 -0.00 0.01 -0.00 0.01 0.01 -0.03 -0.02 0.01 -0.02 0.01 0.01 -0.03 -0.02 -0.01 0.01 -0.02 -0.01 0.02 0.04 -0.04 0.17 -0.02 -0.01 0.01 -0.03 -0.01 0.01 0.19 -0.02 -0.08 -0.03 -0.01 -0.01 -0.03 -0.01 -0.01 -0.03 -0.01 -0.03 -0.04 -0.02 -0.03 0.01 0.05 -0.03 0.01 0.04 -0.02 -0.01 0.04 -0.03 0.03 0.03 -0.00 0.00 0.02 -0.01 0.03 0.01 0.01 0.03 0.04 -0.00 0.03 0.04 -0.00 0.03 0.03 0.01 -0.02 0.01 0.04 0.01 0.01 -0.05 -0.02 0.01 -0.02 -0.01 0.01 -0.03 0.01 0.01 -0.04 -0.22 0.02 0.30 0.21 -0.17 0.38 -0.02 0.12 -0.33 0.50 -0.09 -0.24 0.20 -0.09 0.12 -0.03 -0.01 -0.02 -0.03 -0.01 -0.01 -0.03 -0.01 -0.05 -0.03 -0.07 0.06 0.04 -0.03 0.07 0.00 0.02 -0.04 0.01 0.03 0.09 -0.01 -0.05 -0.01 -0.01 0.03 -0.00 -0.01 0.02 -0.00 -0.02 -0.00 -0.06 -0.01 0.02 0.00 -0.01 0.04 -0.01 -0.00 0.03 0.00 -0.00 0.03 0.00 -0.02 0.01 0.02 -0.02 0.02 0.03 -0.01 0.02 -0.02 -0.06 0.07 -0.12 -0.01 0.02 -0.02 0.00 -0.04 0.00 0.00 -0.04 0.03 0.09 -0.04 -0.11 -0.02 -0.04 0.02 0.01 -0.02 0.03 0.16 -0.01 0.11 -0.04 -0.01 -0.03 -0.01 0.01 -0.02 -0.04 0.02 -0.06 -0.02 -0.05 -0.11 -0.01 0.04 -0.01 -0.01 0.04 -0.01 -0.02 0.04 -0.01 0.00 0.03 0.00 -0.01 0.02 -0.00 0.01 0.02 0.00 -0.01 0.04 -0.00 0.00 0.04 0.01 0.00 0.03 0.01 -0.02 0.01 0.03 -0.01 0.01 -0.03 -0.04 0.20 -0.12 -0.13 0.04 -0.22 -0.00 0.02 -0.04 0.29 -0.14 -0.23 -0.10 -0.02 -0.29 0.40 -0.02 0.33 -0.09 0.10 0.25 0.24 -0.09 -0.09 -0.07 -0.00 -0.04 0.00 0.03 -0.03 -0.06 0.04 -0.10 0.07 0.10 -0.00 -0.01 0.04 -0.01 0.11 -0.12 0.06 -0.08 -0.08 0.03 -0.08 0.12 -0.08 0.00 0.06 0.02 -0.07 -0.05 0.04 -0.02 0.00 -0.04 -0.08 -0.08 -0.05 -0.07 0.20 -0.04 0.05 0.09 0.01 0.15 0.06 0.03 -0.10 -0.06 0.04 -0.09 -0.08 0.00 -0.06 -0.08 0.03 0.05 -0.05 0.01 -0.07 -0.09 -0.02 0.00 0.04 -0.01 0.00 0.05 -0.01 -0.03 -0.15 -0.02 0.04 0.05 -0.00 0.00 0.04 -0.01 0.06 -0.13 0.02 0.06 0.02 0.00 0.02 0.01 -0.01 0.05 0.01 0.00 0.05 0.03 0.01 -0.00 0.28 -0.07 -0.10 0.19 -0.04 -0.17 0.21 -0.06 0.14 0.20 -0.04 -0.07 0.11 0.00 0.13 -0.01 0.06 0.14 0.05 0.04 0.21 0.14 -0.01 0.19 -0.01 0.08 -0.12 -0.04 0.05 -0.05 -0.08 0.05 0.11 -0.04 -0.04 -0.01 -0.06 0.05 -0.07 -0.09 -0.04 -0.00 -0.18 -0.04 -0.08 -0.18 -0.05 0.13 -0.09 0.07 0.01 -0.09 0.05 0.11 -0.19 -0.04 0.08 0.02 0.01 -0.00 -0.01 -0.01 0.06 -0.01 0.00 0.01 -0.01 -0.07 0.06 0.01 -0.07 -0.00 0.03 0.05 -0.02 -0.03 0.05 0.01 0.01 0.06 0.01 0.00 -0.07 -0.00 -0.03 -0.13 -0.01 0.02 0.06 -0.04 -0.01 0.13 -0.03 0.05 -0.00 0.14 -0.06 0.01 -0.08 0.07 -0.03 -0.00 -0.03 -0.13 -0.02 -0.03 0.02 -0.02 -0.03 -0.01 -0.09 0.13 -0.05 -0.05 -0.02 0.12 0.01 -0.00 0.06 0.03 -0.02 0.04 -0.02 -0.04 0.05 0.02 -0.01 -0.00 0.04 -0.00 0.00 -0.02 -0.04 -0.02 0.02 0.00 -0.00 0.03 0.01 -0.00 0.03 0.01 0.01 0.05 -0.05 0.02 -0.02 0.08 0.07 -0.11 0.06 -0.02 0.01 0.04 0.00 0.08 -0.11 0.18 0.34 -0.10 0.01 0.12 -0.00 -0.11 -0.30 0.11 -0.11 -0.04 0.19 0.15 0.02 -0.05 -0.12 0.01 -0.04 -0.21 -0.03 -0.03 0.00 -0.09 0.35 -0.03 -0.23 0.07 -0.21 -0.06 -0.01 0.20 -0.05 -0.01 0.07 -0.00 -0.06 0.08 -0.06 -0.01 -0.07 0.03 -0.08 -0.06 -0.03 -0.03 -0.00 -0.00 0.01 -0.03 0.03 0.03 -0.02 0.02 0.02 0.01 0.02 -0.01 0.22 -0.02 -0.02 0.22 -0.05 -0.14 -0.12 0.02 -0.00 0.11 0.01 0.15 -0.22 0.04 -0.02 -0.04 0.04 -0.02 -0.07 0.03 0.05 -0.01 0.00 0.01 0.04 0.03 -0.02 0.00 0.12 -0.06 0.01 -0.02 0.01 -0.02 0.05 -0.02 -0.12 0.03 -0.00 0.00 -0.00 0.00 0.09 -0.07 -0.06 0.01 -0.01 0.02 0.13 -0.03 0.03 -0.24 -0.05 0.05 -0.23 0.01 0.02 0.06 -0.03 0.02 -0.05 -0.03 0.02 -0.05 -0.03 0.01 -0.03 -0.02 0.01 0.01 -0.02 0.01 0.01 -0.02 0.01 -0.00 0.14 0.12 0.08 0.03 -0.02 0.03 0.00 -0.02 0.00 0.06 -0.02 0.01 0.02 -0.16 0.16 0.33 -0.09 0.02 0.06 0.03 -0.11 -0.19 0.03 -0.07 0.03 0.12 0.11 0.07 -0.09 -0.10 0.06 -0.02 -0.19 -0.03 0.01 0.17 -0.12 -0.08 0.04 -0.12 -0.06 0.06 -0.02 0.02 0.20 0.03 0.08 0.07 0.01 0.00 0.07 -0.04 0.03 -0.04 -0.05 -0.08 -0.04 -0.06 0.05 -0.08 0.00 -0.01 0.13 0.00 -0.02 0.13 -0.01 0.00 0.05 0.03 -0.09 0.03 0.19 -0.02 0.03 -0.17 0.19 -0.12 -0.04 -0.01 0.02 0.07 -0.05 0.03 -0.06 0.03 -0.01 -0.06 -0.00 -0.01 0.01 -0.01 0.05 -0.01 -0.02 -0.02 -0.09 0.08 -0.02 -0.05 0.05 -0.01 -0.04 0.05 -0.00 -0.04 -0.01 -0.04 -0.03 -0.01 -0.02 -0.06 -0.02 0.02 0.07 -0.10 0.14 -0.05 -0.01 0.01 -0.01 0.03 -0.05 0.05 -0.04 -0.05 -0.03 -0.04 0.01 0.05 -0.04 -0.02 0.09 -0.01 -0.01 0.01 -0.03 -0.00 0.02 0.00 -0.02 0.07 0.04 0.01 0.04 0.04 -0.01 -0.03 0.04 0.08 -0.07 0.12 -0.01 -0.12 0.09 -0.02 -0.12 0.08 -0.02 -0.02 0.08 -0.04 -0.09 0.06 -0.01 -0.02 0.02 0.00 -0.09 0.06 -0.02 -0.02 0.09 0.03 -0.01 0.01 -0.01 -0.03 -0.02 -0.05 -0.06 -0.02 0.05 -0.03 -0.50 0.19 0.42 0.03 0.35 -0.06 0.01 0.02 -0.03 -0.04 0.01 -0.04 -0.06 0.01 0.03 0.00 -0.00 0.01 -0.03 -0.00 0.03 -0.05 -0.02 -0.02 0.00 -0.01 0.09 0.05 0.05 0.03 0.06 -0.01 0.01 0.06 -0.03 -0.05 0.02 -0.03 0.09 -0.03 -0.00 -0.08 0.03 0.15 -0.01 -0.11 0.00 -0.02 0.03 -0.02 0.02 0.05 -0.02 0.00 -0.09 -0.08 0.02 -0.03 -0.09 0.02 -0.04 0.01 -0.07 0.03 -0.03 -0.10 0.04 -0.02 0.02 0.05 -0.14 -0.01 0.02 -0.06 0.01 0.02 0.16 0.12 -0.10 -0.04 0.01 -0.02 0.07 0.02 -0.04 0.03 -0.00 0.01 0.05 -0.05 0.01 0.08 0.00 0.02 0.02 -0.02 0.01 0.02 0.07 0.03 -0.02 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.06 -0.09 -0.11 -0.01 -0.08 0.00 0.04 -0.05 0.02 0.05 -0.03 0.02 -0.17 -0.12 0.01 0.09 0.05 0.00 -0.16 0.17 -0.12 -0.23 0.06 -0.06 -0.08 0.10 0.10 -0.04 -0.01 -0.08 0.03 0.05 -0.19 0.01 0.03 0.32 0.16 -0.20 -0.08 0.19 -0.07 0.04 0.01 -0.03 0.14 -0.03 0.04 0.08 -0.09 -0.07 0.07 0.24 0.21 0.08 -0.08 -0.04 0.03 0.16 -0.05 -0.26 0.02 0.01 -0.02 -0.02 -0.01 -0.04 0.01 -0.01 -0.02 -0.04 -0.00 -0.17 0.02 -0.03 0.16 0.00 0.03 -0.01 0.02 -0.00 0.02 0.00 0.02 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.01 0.02 -0.00 0.00 0.01 -0.01 -0.02 0.02 0.00 0.01 -0.01 0.01 0.02 -0.01 0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.01 -0.02 -0.00 0.01 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 0.01 0.01 0.01 -0.03 0.09 -0.01 0.01 -0.08 -0.02 -0.00 -0.01 0.04 -0.06 0.33 -0.05 0.06 -0.33 -0.01 -0.00 -0.00 0.00 0.02 -0.00 -0.01 0.03 0.02 -0.04 0.03 -0.01 -0.02 0.00 -0.01 0.04 0.03 -0.01 -0.04 -0.01 -0.00 0.04 -0.04 0.03 0.04 -0.01 0.01 0.02 -0.02 -0.02 0.01 -0.00 0.02 0.01 -0.02 -0.03 -0.03 -0.00 0.02 0.01 -0.02 0.01 0.04 0.02 0.02 -0.01 0.02 -0.00 0.02 0.02 0.02 0.02 0.01 0.02 0.00 0.00 0.01 -0.05 -0.04 0.00 -0.03 0.02 -0.05 0.08 -0.11 0.55 -0.09 0.11 -0.56 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.05 -0.00 0.02 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.03 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 0.04 0.02 0.00 0.00 0.01 -0.01 0.00 0.02 -0.01 -0.09 0.01 -0.00 -0.03 -0.01 -0.00 0.01 -0.01 0.02 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.04 0.01 0.26 -0.11 0.14 -0.08 0.13 -0.14 -0.03 0.20 0.24 -0.14 -0.32 -0.01 -0.05 0.16 -0.22 0.21 0.39 0.00 0.07 -0.13 -0.28 -0.22 -0.21 0.25 0.16 0.03 -0.01 -0.13 -0.02 0.00 0.05 -0.01 0.03 -0.00 -0.02 0.01 -0.01 -0.01 0.01 0.02 0.00 0.02 0.04 0.01 -0.01 0.04 0.05 0.04 0.03 -0.09 -0.07 0.01 -0.00 0.01 -0.12 -0.01 0.00 -0.03 0.00 -0.00 0.02 -0.01 -0.00 -0.00 0.08 0.10 0.01 0.07 0.03 0.05 -0.04 -0.08 -0.01 -0.09 -0.00 -0.06 0.01 -0.08 0.01 0.01 0.03 -0.01 0.04 0.06 -0.02 -0.02 -0.08 0.05 -0.02 -0.05 0.10 0.06 -0.06 0.02 -0.04 0.04 -0.03 -0.11 0.06 -0.01 -0.01 0.05 0.04 -0.05 -0.00 0.04 0.07 0.00 -0.05 -0.08 -0.03 -0.01 0.03 -0.05 0.04 -0.02 -0.05 -0.03 -0.02 0.02 -0.06 -0.07 -0.05 -0.06 0.02 0.02 -0.02 0.01 0.04 -0.03 0.06 -0.02 0.02 0.04 0.00 0.04 0.01 0.04 -0.03 0.04 0.02 0.01 0.01 -0.10 0.04 -0.01 -0.13 0.14 0.06 0.00 -0.03 0.18 -0.14 -0.00 0.01 0.10 -0.12 -0.16 0.06 -0.04 -0.02 -0.01 0.03 0.13 0.11 0.00 -0.25 -0.18 -0.09 -0.30 0.29 0.06 -0.02 0.07 0.04 0.13 0.00 -0.12 -0.10 0.06 0.01 -0.14 -0.06 -0.08 0.05 -0.09 0.03 -0.06 -0.10 -0.08 -0.09 -0.06 -0.08 -0.06 -0.04 -0.08 0.27 0.15 -0.03 0.09 -0.12 0.27 0.04 -0.01 0.10 0.00 0.02 -0.03 0.05 0.01 0.04 -0.02 -0.02 -0.00 -0.02 -0.00 -0.01 0.02 0.01 -0.00 -0.00 0.00 0.10 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.02 0.01 0.00 -0.02 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.03 0.01 0.00 0.01 -0.01 -0.00 0.03 0.03 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 0.02 0.01 -0.08 -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 -0.01 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.02 -0.01 0.02 0.03 -0.04 0.03 -0.01 -0.01 -0.00 -0.01 0.03 0.04 -0.02 -0.05 -0.00 -0.01 0.02 -0.03 0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.04 -0.02 -0.00 0.05 0.04 -0.03 -0.01 0.05 0.00 0.02 -0.01 0.01 0.01 0.16 0.01 -0.13 -0.08 0.01 -0.17 -0.39 -0.20 -0.29 0.45 0.19 -0.15 -0.11 0.03 0.57 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.05 0.02 -0.05 0.02 0.02 0.03 -0.06 -0.01 0.11 -0.01 -0.01 0.07 -0.11 0.03 -0.05 0.01 -0.02 -0.03 -0.02 -0.01 0.04 -0.05 0.01 0.05 0.00 0.05 -0.11 0.08 -0.02 -0.05 0.03 -0.03 -0.08 0.05 -0.00 0.02 -0.03 0.03 0.05 -0.00 0.03 -0.02 -0.03 -0.03 -0.00 -0.02 -0.02 0.00 0.00 0.02 0.03 -0.06 -0.01 -0.01 0.02 -0.03 0.09 0.04 0.02 -0.01 0.02 -0.02 -0.01 0.02 -0.02 -0.04 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.07 -0.01 -0.07 0.15 0.02 -0.16 0.11 -0.05 -0.13 0.07 -0.04 0.16 0.29 -0.21 -0.43 0.04 -0.08 0.10 -0.21 0.19 -0.35 0.07 -0.07 -0.00 0.22 0.19 0.06 -0.12 -0.11 0.03 -0.05 0.03 -0.02 -0.03 -0.06 -0.01 0.04 -0.01 -0.04 -0.04 -0.07 -0.02 0.04 0.01 0.07 0.07 0.03 0.12 0.07 0.04 -0.03 -0.04 0.02 -0.13 -0.08 0.01 -0.10 0.11 -0.08 0.01 0.00 0.02 -0.00 -0.01 0.02 0.01 -0.01 0.04 -0.08 -0.12 0.00 -0.09 -0.03 0.01 0.07 0.05 0.00 0.03 -0.07 -0.03 0.03 0.12 -0.03 0.00 0.06 -0.01 0.03 0.04 0.00 0.07 0.04 0.01 0.02 -0.03 0.04 0.07 -0.03 0.00 -0.07 0.14 -0.08 -0.13 0.16 0.02 0.03 0.01 0.05 0.02 -0.05 0.03 0.04 0.01 -0.01 0.09 0.05 0.01 0.01 -0.03 0.03 0.04 0.07 -0.01 0.03 0.01 -0.01 0.03 -0.11 0.01 -0.01 -0.00 -0.00 -0.00 -0.03 -0.01 -0.06 -0.15 -0.00 -0.02 0.01 0.00 -0.00 -0.03 -0.00 -0.03 -0.02 0.00 0.14 0.04 0.03 0.01 -0.12 0.00 0.12 -0.03 0.01 0.13 -0.04 0.01 -0.13 0.04 -0.15 -0.01 0.24 -0.01 -0.13 0.24 -0.18 -0.06 0.27 -0.04 -0.23 0.04 0.11 -0.24 0.29 0.07 0.02 0.01 0.06 0.07 0.01 -0.04 0.08 0.03 0.01 0.10 0.05 0.01 0.02 -0.05 0.04 0.00 -0.11 0.02 0.05 -0.10 0.02 -0.05 -0.20 0.02 -0.14 -0.23 0.01 -0.11 -0.06 -0.07 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.03 -0.02 0.00 0.02 0.04 0.00 0.00 0.01 0.00 -0.01 -0.02 -0.01 0.07 -0.01 0.02 0.02 -0.06 0.02 -0.02 0.01 -0.00 -0.03 -0.02 -0.00 -0.01 -0.02 -0.00 0.01 0.02 -0.01 -0.05 0.04 -0.01 0.01 0.02 -0.01 0.01 0.02 0.01 -0.00 -0.03 0.00 0.02 -0.00 0.00 -0.04 -0.01 -0.00 -0.02 -0.02 -0.01 -0.02 0.02 -0.01 0.00 -0.04 0.00 -0.01 -0.00 -0.00 0.07 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.04 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.02 -0.02 0.07 -0.04 -0.05 0.02 0.00 -0.09 0.07 -0.01 -0.20 -0.24 0.17 0.41 0.06 0.08 -0.14 0.28 -0.28 0.38 0.06 0.06 -0.12 -0.23 -0.20 -0.21 0.27 0.18 0.00 -0.04 0.00 -0.06 -0.00 0.00 -0.02 -0.01 -0.01 -0.03 -0.02 -0.01 -0.03 0.04 -0.01 0.08 0.03 0.01 0.07 0.03 0.01 -0.07 -0.08 -0.02 -0.06 -0.08 -0.01 -0.10 0.07 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.04 -0.06 -0.00 -0.08 -0.00 0.01 0.08 0.02 -0.02 -0.05 0.04 -0.08 0.04 0.00 -0.02 -0.02 -0.02 -0.06 -0.03 -0.01 -0.01 0.05 -0.02 -0.02 0.00 -0.02 0.07 -0.07 0.05 -0.06 0.12 -0.09 0.02 -0.07 -0.02 -0.07 -0.05 0.01 0.14 -0.02 0.02 0.08 -0.02 -0.03 0.00 0.12 -0.03 -0.00 -0.03 -0.02 0.11 0.05 0.02 -0.02 0.03 0.02 -0.01 -0.07 0.07 -0.02 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.06 0.11 0.02 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.09 -0.04 -0.02 -0.05 0.12 0.08 -0.16 0.15 -0.15 -0.05 -0.05 -0.12 0.12 -0.04 0.18 0.22 -0.16 -0.01 0.16 -0.13 -0.03 0.16 -0.02 -0.02 -0.19 -0.24 -0.19 -0.24 0.18 -0.01 -0.05 -0.00 0.17 -0.00 -0.03 -0.07 0.13 -0.13 -0.02 0.19 -0.00 0.07 -0.05 0.00 0.13 -0.10 0.04 -0.01 -0.04 0.06 0.00 0.14 0.20 0.06 0.06 0.20 0.04 0.16 -0.02 -0.01 0.01 0.01 -0.00 0.02 -0.00 0.00 -0.01 -0.01 0.01 0.03 0.08 -0.03 0.08 -0.01 -0.05 -0.04 0.00 -0.04 0.08 -0.00 -0.01 -0.11 0.02 -0.06 0.03 -0.00 -0.03 0.00 -0.00 0.03 -0.07 0.01 -0.08 -0.03 0.04 -0.05 0.08 -0.06 -0.06 0.13 0.01 -0.02 -0.08 0.04 -0.03 -0.03 -0.00 0.13 -0.01 0.01 0.03 -0.02 0.03 0.07 0.00 -0.07 -0.00 -0.02 0.04 0.06 -0.06 -0.00 -0.02 -0.02 -0.04 0.11 0.09 -0.00 0.00 -0.00 -0.03 0.08 -0.01 -0.02 0.08 -0.04 -0.04 -0.00 -0.01 -0.02 0.01 -0.02 0.00 0.02 -0.02 0.01 -0.05 -0.09 0.04 -0.05 -0.01 -0.11 0.18 0.07 0.16 -0.23 0.24 -0.29 -0.19 0.23 0.15 -0.01 0.04 0.01 -0.03 0.24 -0.13 -0.01 -0.18 0.08 -0.08 -0.11 0.04 0.10 -0.08 0.05 -0.10 -0.04 0.00 0.19 -0.05 0.03 0.06 0.02 -0.23 -0.03 0.09 -0.02 0.13 -0.03 0.03 0.09 0.09 0.02 0.01 0.10 0.02 0.00 -0.08 -0.13 -0.01 -0.08 -0.11 -0.00 -0.13 0.08 -0.01 -0.04 -0.01 -0.06 -0.04 0.00 -0.06 -0.04 0.03 -0.16 -0.00 -0.01 0.01 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.02 -0.01 0.02 -0.01 0.00 0.01 -0.01 0.00 0.02 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.03 0.02 -0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.03 0.01 -0.00 0.01 0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.02 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.09 0.02 0.50 -0.18 0.39 -0.33 0.26 -0.40 -0.23 -0.12 -0.10 0.04 0.12 0.05 0.04 -0.11 0.14 -0.10 -0.09 -0.06 0.00 0.09 0.08 0.04 0.12 -0.13 -0.05 0.00 -0.00 -0.02 -0.00 0.00 -0.01 -0.01 0.04 0.00 -0.02 0.00 -0.02 0.01 -0.00 -0.06 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 0.04 -0.00 0.00 0.00 0.02 -0.01 -0.00 -0.00 0.01 0.01 0.02 0.01 0.00 -0.02 0.03 -0.01 -0.01 -0.05 0.01 -0.06 -0.11 -0.01 0.01 -0.02 0.01 -0.01 -0.04 0.02 0.03 -0.11 0.02 0.04 0.10 -0.10 0.05 0.10 0.12 -0.03 -0.10 -0.03 0.01 -0.03 0.00 -0.06 -0.11 -0.03 0.00 0.00 -0.01 -0.04 -0.06 -0.02 -0.02 0.02 0.00 -0.01 -0.00 -0.00 -0.02 0.13 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.05 0.17 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.04 -0.03 0.01 -0.03 -0.19 0.03 0.07 -0.11 0.03 0.10 -0.12 0.03 0.06 0.11 -0.21 0.03 0.29 0.02 0.07 0.10 -0.26 0.06 0.28 0.00 0.07 0.18 0.22 0.06 0.06 0.29 0.00 -0.15 -0.03 -0.08 -0.11 -0.03 -0.00 0.03 -0.00 0.00 -0.00 -0.04 -0.06 -0.01 -0.03 -0.01 0.14 -0.00 -0.00 0.15 0.00 0.08 0.25 0.01 0.08 0.24 0.01 0.12 0.07 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.04 -0.05 -0.05 0.02 -0.05 -0.03 -0.04 -0.10 0.01 -0.01 -0.02 -0.00 0.07 -0.13 0.00 0.01 -0.02 0.03 0.00 -0.06 0.03 -0.01 0.02 0.00 -0.04 0.12 -0.06 0.06 0.11 -0.15 -0.04 -0.02 0.07 0.01 -0.01 0.03 0.00 -0.04 0.01 -0.01 0.05 0.06 -0.02 -0.09 -0.02 -0.05 0.01 0.03 -0.04 0.05 0.00 -0.01 -0.11 0.03 -0.04 0.15 0.00 0.02 0.00 0.02 -0.03 0.17 0.04 -0.02 0.17 0.01 0.03 0.00 -0.00 -0.01 0.05 0.02 0.00 0.05 -0.02 0.04 -0.12 0.16 0.01 0.08 -0.05 0.12 0.26 -0.26 0.05 0.09 0.05 0.08 0.15 -0.25 -0.20 -0.04 -0.09 -0.08 -0.04 -0.27 0.11 0.04 0.09 0.01 -0.01 0.12 0.07 -0.05 0.10 -0.03 0.04 0.03 0.01 -0.08 0.10 -0.03 -0.16 -0.07 -0.11 0.05 0.02 -0.03 0.05 0.03 -0.05 0.06 -0.01 0.02 0.01 0.02 0.04 0.01 0.02 0.05 0.01 0.01 0.04 0.00 0.03 0.01 -0.01 -0.04 0.02 -0.08 0.00 0.04 -0.09 -0.07 0.10 -0.38 -0.02 0.14 0.05 0.28 -0.14 -0.03 0.08 0.08 0.06 0.05 -0.01 0.00 -0.11 0.12 0.01 0.01 0.02 -0.02 0.06 0.01 -0.02 0.03 -0.05 -0.01 0.03 -0.08 0.04 -0.07 0.11 0.04 -0.12 -0.05 0.00 -0.03 -0.01 -0.05 0.04 0.01 0.01 0.03 -0.02 0.02 0.10 -0.04 -0.01 0.12 0.03 -0.05 0.07 -0.08 0.05 -0.08 0.12 0.04 -0.09 -0.00 -0.06 0.04 0.05 0.00 -0.10 0.02 -0.06 -0.10 -0.10 -0.09 0.01 0.06 0.00 -0.08 -0.04 -0.02 -0.14 -0.08 -0.02 -0.11 -0.11 0.05 0.10 -0.10 -0.03 -0.01 0.22 0.12 -0.23 0.11 0.02 -0.08 0.13 0.05 -0.21 -0.18 0.00 -0.07 -0.11 -0.04 -0.22 0.07 0.07 -0.01 -0.04 -0.02 -0.07 -0.06 -0.07 -0.07 0.04 -0.08 0.02 0.04 0.00 0.15 -0.04 -0.03 0.14 0.05 -0.07 0.14 0.02 -0.10 0.08 -0.11 0.07 0.04 0.07 0.01 0.04 0.07 0.01 0.02 0.06 0.00 0.01 0.06 0.00 0.01 0.06 0.00 -0.02 -0.05 0.03 -0.13 -0.09 0.05 -0.08 -0.16 0.17 0.00 -0.01 0.01 0.00 0.00 0.02 0.04 0.01 0.01 0.00 0.02 -0.01 -0.00 -0.06 0.03 0.01 0.00 -0.10 -0.02 0.01 -0.08 -0.03 0.01 -0.05 -0.03 0.05 -0.01 0.02 -0.06 0.16 -0.03 -0.09 -0.05 0.14 0.10 -0.03 -0.05 0.02 0.06 -0.03 0.03 0.02 -0.05 0.04 -0.05 0.05 -0.02 -0.01 -0.07 0.06 0.08 0.01 -0.02 0.03 -0.01 0.01 -0.03 0.03 -0.03 -0.00 -0.01 0.01 -0.05 -0.01 0.01 -0.05 -0.02 -0.05 -0.00 0.00 0.00 -0.02 -0.00 0.00 -0.02 0.01 -0.01 0.04 -0.09 -0.01 -0.08 -0.06 -0.13 0.32 -0.16 -0.15 0.22 0.28 0.03 0.29 -0.04 -0.10 -0.03 -0.06 -0.18 -0.12 -0.05 -0.08 0.05 0.15 0.18 -0.09 0.22 0.22 -0.03 0.20 -0.00 0.12 -0.05 0.00 0.13 -0.07 0.04 -0.07 0.10 -0.12 -0.05 0.10 0.01 0.08 -0.09 0.08 0.17 0.02 -0.03 0.00 0.02 -0.04 -0.00 -0.04 -0.10 -0.00 -0.04 -0.08 0.00 -0.06 0.01 -0.00 0.01 -0.00 0.02 0.00 -0.01 0.02 0.03 -0.03 0.13 -0.03 0.26 0.04 0.05 -0.12 -0.04 0.07 -0.00 -0.09 -0.12 -0.00 -0.03 0.24 -0.04 0.01 -0.05 -0.04 0.03 -0.05 0.00 -0.00 0.12 0.13 0.04 0.05 0.09 0.05 -0.02 -0.08 -0.03 0.08 0.04 -0.01 0.05 -0.01 0.07 0.04 0.01 -0.03 0.03 0.02 0.01 -0.09 0.07 -0.04 0.06 0.07 0.04 -0.05 0.12 -0.03 0.15 -0.09 -0.06 0.02 -0.04 0.01 -0.13 -0.10 -0.02 -0.14 -0.00 0.07 0.01 -0.10 0.02 0.00 -0.09 0.00 -0.14 -0.05 0.03 -0.04 -0.06 0.02 -0.17 -0.05 -0.02 0.09 0.12 0.03 -0.05 -0.12 -0.09 0.08 -0.06 -0.04 -0.04 -0.11 -0.06 0.15 0.14 0.00 0.08 0.14 0.05 0.17 -0.04 -0.12 0.06 0.02 0.05 0.11 0.07 0.05 0.09 -0.08 0.15 0.07 -0.04 -0.06 -0.12 0.07 -0.06 0.02 0.02 0.08 0.05 0.07 0.10 -0.08 0.17 -0.06 -0.15 -0.14 -0.02 -0.14 -0.13 -0.02 0.03 -0.03 0.01 0.02 -0.03 0.00 0.06 -0.18 0.01 -0.11 -0.05 -0.01 0.01 0.03 -0.00 -0.20 0.01 -0.10 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.06 -0.01 0.02 -0.04 -0.04 -0.01 0.03 0.03 0.03 0.02 -0.09 -0.11 0.06 -0.02 0.07 0.02 0.04 0.02 0.07 0.00 -0.15 -0.11 0.03 0.04 0.02 -0.11 -0.15 -0.02 0.09 -0.01 0.06 -0.01 0.12 0.06 -0.03 -0.03 0.04 0.01 0.17 -0.08 0.04 0.03 0.09 0.00 -0.09 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.08 -0.02 -0.02 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.01 0.01 0.00 -0.01 -0.00 0.01 0.01 0.01 0.01 -0.01 0.01 -0.01 -0.04 0.10 0.05 -0.03 0.18 0.18 -0.38 -0.02 0.06 -0.07 0.11 0.11 0.02 -0.11 -0.14 0.03 -0.11 -0.15 0.01 -0.10 -0.14 0.01 0.29 -0.15 -0.06 0.08 0.14 -0.07 0.13 0.14 0.04 0.01 0.15 0.01 0.02 0.29 -0.12 0.16 0.06 -0.16 0.00 -0.06 0.10 -0.02 -0.13 -0.07 -0.02 -0.02 -0.08 -0.03 -0.02 0.04 0.07 0.01 0.04 0.08 0.01 0.08 -0.09 0.02 -0.02 -0.00 0.00 0.01 0.02 0.00 -0.01 0.03 -0.04 0.00 0.05 0.01 -0.02 -0.03 -0.00 -0.01 0.00 -0.01 0.03 -0.03 -0.01 0.07 0.00 0.02 0.07 0.14 -0.05 -0.07 -0.05 0.04 0.03 0.03 0.03 -0.01 -0.04 -0.03 0.18 0.06 0.06 -0.05 -0.02 0.08 -0.03 0.06 -0.17 -0.07 -0.07 0.00 -0.03 -0.04 0.03 -0.10 -0.09 0.10 -0.02 0.03 0.03 -0.05 -0.06 -0.12 0.05 -0.03 -0.01 0.03 -0.01 -0.01 0.01 0.04 -0.00 -0.02 -0.01 0.01 0.03 -0.02 -0.00 0.01 0.06 -0.00 -0.03 -0.01 0.01 0.02 0.00 0.00 -0.03 0.01 -0.00 0.04 0.04 0.05 0.07 -0.09 0.07 0.21 -0.00 0.11 0.34 0.09 0.12 -0.11 -0.10 0.15 -0.06 -0.24 -0.06 -0.13 0.03 0.29 -0.08 -0.05 -0.10 -0.09 -0.03 -0.17 -0.05 0.13 -0.34 -0.03 -0.11 -0.08 -0.13 -0.08 0.14 -0.05 0.08 0.05 -0.05 0.02 -0.01 -0.04 -0.03 -0.25 0.02 0.05 0.00 0.03 0.06 0.01 0.02 0.08 0.00 0.01 0.08 0.00 0.02 0.04 0.00 -0.04 -0.01 0.01 0.05 0.04 0.00 -0.05 0.04 -0.01 -0.02 -0.03 -0.00 0.03 0.01 -0.00 0.03 -0.00 -0.01 0.01 0.04 -0.06 -0.03 -0.02 -0.02 -0.04 -0.02 -0.04 -0.02 0.05 0.07 -0.01 -0.05 0.00 -0.04 0.00 0.18 -0.05 -0.05 0.00 0.05 -0.04 -0.03 0.02 0.03 -0.01 0.00 0.05 -0.10 -0.06 0.05 0.21 -0.02 0.04 0.13 0.04 -0.03 -0.02 0.03 -0.00 -0.19 -0.02 0.03 -0.01 -0.02 0.02 0.00 0.04 -0.01 0.00 0.01 0.02 0.00 -0.03 0.01 0.01 -0.01 -0.03 -0.00 0.03 0.00 0.00 -0.02 -0.01 0.00 0.02 -0.02 -0.01 0.05 -0.08 -0.02 -0.06 -0.07 -0.01 -0.08 -0.10 0.04 -0.02 -0.00 0.05 0.09 0.04 0.04 0.07 -0.05 -0.04 0.11 -0.10 -0.07 0.05 0.08 -0.04 0.05 0.08 -0.01 0.04 -0.01 0.09 0.08 0.04 -0.51 0.02 0.04 0.12 0.06 -0.08 -0.03 0.08 -0.01 0.02 0.10 -0.01 -0.58 -0.01 -0.04 0.01 0.06 0.00 0.02 -0.03 -0.08 -0.00 -0.04 -0.08 -0.00 -0.06 0.04 -0.02 0.05 0.01 -0.00 -0.04 -0.05 0.00 0.03 -0.04 -0.03 0.17 0.06 0.01 -0.14 -0.10 0.03 -0.02 0.04 -0.02 0.02 -0.01 -0.01 -0.07 0.06 -0.05 0.03 -0.04 0.01 0.04 -0.00 0.01 -0.04 0.03 -0.04 -0.05 -0.01 0.06 -0.02 0.02 -0.01 -0.00 -0.01 -0.03 -0.02 -0.02 0.04 -0.00 0.00 -0.04 -0.04 -0.01 0.06 0.05 0.01 0.01 0.02 -0.00 -0.01 0.03 -0.02 -0.01 0.04 -0.08 0.06 0.08 -0.14 0.10 0.02 0.01 0.00 -0.00 -0.11 -0.09 0.08 -0.05 -0.09 0.00 0.01 -0.00 -0.14 0.04 -0.09 0.02 0.14 -0.10 -0.06 0.13 0.20 0.02 0.02 -0.04 0.04 0.09 -0.01 -0.06 0.02 -0.02 -0.08 0.02 -0.02 -0.01 -0.03 -0.09 -0.02 0.04 -0.00 -0.02 0.01 -0.05 -0.02 0.02 0.01 -0.04 -0.04 0.08 -0.03 0.00 0.04 -0.00 0.04 -0.15 0.06 0.01 -0.02 0.04 -0.15 -0.03 0.10 0.04 0.12 0.06 -0.07 -0.08 0.01 0.01 0.00 0.03 0.03 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.00 -0.35 0.04 -0.07 0.13 0.31 -0.10 -0.05 0.15 0.51 -0.16 0.06 0.05 0.04 0.18 0.04 -0.02 0.01 -0.05 0.00 -0.04 -0.01 -0.03 0.03 -0.06 0.08 -0.03 0.02 0.04 -0.05 0.01 -0.03 0.07 -0.04 -0.03 0.04 0.04 0.04 0.07 0.00 -0.02 -0.01 -0.03 -0.03 -0.02 0.03 0.03 -0.05 -0.02 0.01 -0.04 0.06 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.04 -0.00 0.05 -0.09 0.02 0.00 -0.01 0.16 -0.05 0.00 -0.01 -0.13 0.02 -0.01 0.04 0.13 -0.01 0.00 0.02 0.00 0.00 -0.18 -0.16 0.13 -0.10 -0.16 0.12 -0.19 0.11 -0.02 0.08 -0.03 0.11 0.16 0.00 -0.02 0.08 -0.01 -0.03 0.07 -0.01 -0.05 -0.09 -0.14 -0.07 0.03 -0.01 -0.09 0.07 0.01 -0.07 0.01 0.00 -0.10 -0.09 0.12 -0.08 0.05 -0.04 0.03 -0.03 -0.10 -0.06 0.01 -0.04 -0.00 -0.15 -0.01 0.05 0.04 0.16 0.02 0.02 -0.05 -0.04 0.01 -0.01 -0.03 0.02 -0.00 0.03 0.07 0.01 0.03 0.07 0.00 0.06 -0.05 0.01 0.14 -0.16 -0.23 0.03 -0.22 -0.23 0.10 -0.13 0.39 0.07 -0.06 -0.03 0.02 -0.02 -0.01 0.03 -0.02 0.00 -0.02 -0.07 -0.02 -0.03 -0.07 0.01 0.13 -0.04 0.03 0.03 -0.11 -0.00 -0.04 0.05 -0.06 0.01 0.12 0.07 0.11 0.12 0.01 -0.03 -0.01 -0.03 -0.04 -0.03 0.04 0.08 -0.11 -0.02 0.07 -0.04 0.11 -0.07 0.05 -0.03 0.03 -0.02 -0.02 -0.02 0.16 -0.00 -0.04 0.02 -0.00 -0.05 0.01 -0.02 -0.12 -0.03 -0.02 0.07 0.00 -0.01 -0.09 -0.01 0.01 0.00 0.01 0.00 0.04 0.07 0.03 -0.12 0.03 0.05 -0.01 0.04 -0.02 -0.12 0.01 -0.11 0.19 0.23 0.01 0.04 0.13 -0.00 0.01 0.13 -0.01 -0.09 -0.14 -0.22 -0.12 0.04 -0.01 -0.15 0.12 0.05 -0.11 0.00 0.00 -0.15 -0.14 0.18 -0.12 0.09 -0.10 0.11 -0.13 -0.14 -0.24 0.06 -0.09 0.08 -0.14 -0.08 0.05 0.01 0.12 -0.03 0.21 -0.09 -0.11 -0.03 -0.02 -0.09 -0.01 -0.01 0.05 0.11 0.01 0.05 0.11 0.00 0.11 -0.15 0.02 -0.00 0.07 0.05 -0.13 0.00 0.07 0.03 -0.04 -0.09 0.03 -0.06 -0.01 0.04 -0.00 0.00 -0.02 -0.04 -0.05 -0.01 -0.05 0.01 0.00 0.01 -0.04 -0.11 0.08 -0.03 -0.06 0.03 -0.00 0.07 -0.03 0.04 0.10 -0.01 -0.00 -0.05 -0.05 -0.01 0.00 0.05 0.08 0.03 0.05 -0.08 0.12 0.01 0.03 0.12 -0.02 -0.02 -0.05 0.01 -0.00 -0.04 -0.03 -0.00 -0.02 0.02 -0.01 -0.03 0.02 -0.05 -0.02 -0.01 0.18 -0.07 -0.02 -0.01 0.07 0.03 0.01 -0.10 -0.01 0.04 0.00 -0.00 0.00 0.03 0.11 -0.12 -0.16 0.04 -0.10 0.03 -0.03 0.16 0.08 0.01 0.08 -0.16 -0.21 -0.01 0.07 -0.07 0.02 0.08 -0.07 0.01 0.03 0.13 0.24 0.07 -0.04 0.03 0.07 -0.04 0.07 0.07 -0.02 -0.02 0.11 0.12 -0.22 0.09 -0.03 -0.04 0.15 -0.07 0.09 -0.02 0.01 0.02 -0.10 0.07 0.06 -0.08 -0.06 -0.10 -0.06 0.09 0.00 -0.05 -0.01 -0.01 -0.06 -0.01 -0.01 0.03 0.06 0.01 0.03 0.06 0.00 0.07 -0.10 0.01 0.02 0.13 -0.23 -0.21 0.00 -0.22 0.12 -0.18 0.33 -0.15 0.01 0.04 0.02 -0.20 -0.04 -0.02 -0.05 -0.04 -0.01 0.08 -0.00 0.06 -0.07 -0.04 0.09 -0.07 0.02 0.03 -0.03 0.01 -0.04 0.00 0.01 -0.07 0.01 -0.02 0.05 0.04 0.01 0.00 -0.05 -0.07 -0.02 -0.04 0.06 -0.13 -0.00 -0.02 -0.11 0.05 -0.04 0.03 -0.04 0.01 -0.09 -0.02 0.05 0.03 -0.02 0.00 0.06 0.02 -0.05 0.12 0.10 0.10 0.07 0.01 0.01 0.06 0.24 0.01 0.02 -0.12 0.04 -0.00 -0.01 -0.00 0.11 0.27 -0.03 -0.03 -0.01 -0.09 0.02 -0.02 0.09 -0.05 0.04 0.04 0.14 0.16 0.02 -0.05 0.06 -0.01 -0.05 0.06 -0.00 -0.02 -0.11 -0.19 -0.05 0.02 -0.04 -0.06 0.02 -0.06 -0.06 0.02 0.01 -0.09 -0.10 0.18 -0.07 0.03 0.03 -0.16 0.04 -0.00 0.01 -0.04 0.01 -0.09 -0.01 0.05 -0.11 -0.02 0.06 0.05 -0.06 0.02 0.05 -0.01 0.01 0.05 -0.01 0.00 -0.04 -0.09 -0.01 -0.04 -0.09 -0.00 -0.08 0.10 -0.02 0.31 0.28 -0.08 0.01 0.10 -0.22 0.12 -0.18 0.16 0.11 -0.06 -0.07 0.04 0.11 0.05 0.05 -0.01 -0.05 -0.07 0.17 -0.00 0.10 0.01 -0.00 0.07 -0.04 0.01 -0.02 -0.05 0.02 0.07 0.03 0.07 0.01 0.00 -0.01 0.05 0.03 0.01 0.00 -0.04 -0.06 -0.02 -0.03 0.05 -0.16 -0.00 -0.01 -0.08 0.12 -0.08 0.01 -0.12 0.01 0.03 0.05 0.04 0.06 -0.03 0.00 0.02 -0.01 -0.06 -0.08 -0.03 0.05 0.07 -0.01 0.01 0.06 -0.12 0.21 -0.16 0.08 -0.15 -0.00 -0.05 0.00 -0.04 -0.04 -0.09 -0.16 0.01 0.03 -0.03 -0.03 0.05 0.10 0.04 0.09 0.11 0.12 0.02 -0.02 0.04 -0.00 -0.00 0.05 0.00 -0.02 -0.10 -0.15 -0.03 -0.01 -0.04 -0.04 0.01 -0.04 -0.05 0.02 0.00 -0.08 -0.08 0.15 -0.06 0.03 0.01 -0.15 -0.03 0.05 -0.02 -0.12 0.01 -0.02 0.12 0.09 -0.00 0.03 -0.03 0.04 0.00 0.02 0.04 -0.06 0.01 0.03 -0.07 -0.00 -0.07 -0.18 -0.02 -0.07 -0.18 -0.00 -0.13 0.13 -0.02 -0.17 0.02 -0.39 -0.20 -0.14 0.22 0.01 -0.10 0.08 0.08 -0.04 0.05 0.00 0.09 -0.05 0.03 0.00 -0.02 -0.05 0.11 -0.01 0.04 0.02 0.00 0.03 -0.02 0.00 -0.02 -0.04 0.01 0.05 -0.00 0.04 0.04 0.01 0.00 0.03 0.02 0.00 -0.00 -0.02 -0.02 -0.01 -0.01 0.02 -0.07 -0.01 -0.00 -0.02 0.08 -0.04 -0.01 -0.08 0.00 0.03 0.02 0.00 0.05 0.00 0.00 -0.01 -0.00 -0.02 -0.05 -0.03 0.01 0.03 -0.01 0.01 -0.05 -0.01 -0.35 -0.00 -0.03 0.37 -0.00 -0.04 0.00 -0.02 -0.07 0.05 -0.08 0.02 -0.06 -0.02 -0.01 0.01 0.06 0.00 0.05 0.05 0.04 0.01 0.01 0.02 0.00 0.01 0.02 0.00 -0.01 -0.05 -0.06 -0.01 -0.01 -0.02 -0.02 0.01 -0.01 -0.02 0.01 -0.00 -0.04 -0.04 0.06 -0.03 0.02 -0.00 -0.04 -0.06 0.03 -0.04 -0.08 0.00 -0.00 0.07 0.03 0.02 0.01 -0.05 0.02 0.05 0.01 0.00 -0.05 0.00 -0.00 -0.05 -0.00 -0.04 -0.11 -0.01 -0.04 -0.11 -0.00 -0.07 0.05 -0.01 -0.02 -0.15 0.47 -0.20 0.05 -0.51 -0.02 -0.02 0.03 -0.06 0.05 0.01 -0.04 -0.07 0.00 -0.06 0.01 0.06 -0.11 0.18 -0.03 -0.13 0.06 -0.01 -0.01 0.02 0.00 -0.08 -0.12 -0.02 0.03 -0.14 -0.00 0.20 0.08 0.03 0.02 0.02 0.00 -0.01 0.02 0.03 -0.00 0.02 -0.03 0.02 -0.07 0.00 0.12 0.17 0.03 -0.05 -0.17 -0.00 -0.01 -0.10 -0.07 0.14 0.11 0.02 -0.09 0.09 0.03 0.04 -0.01 -0.01 -0.04 -0.05 -0.01 -0.03 -0.00 0.05 0.11 -0.02 -0.07 -0.00 -0.10 0.00 -0.01 -0.02 -0.01 0.16 0.00 -0.02 0.04 0.03 0.00 0.02 -0.12 0.02 -0.02 -0.04 -0.00 0.07 0.01 0.02 0.07 0.01 0.01 -0.03 0.00 0.02 -0.02 0.01 0.02 -0.03 0.04 0.05 -0.01 -0.00 -0.01 -0.01 -0.00 -0.03 -0.01 0.03 -0.06 0.15 -0.30 0.02 -0.21 -0.16 -0.01 -0.03 0.03 -0.05 -0.02 -0.13 -0.24 0.02 0.33 0.00 -0.09 -0.14 -0.01 -0.08 -0.14 -0.01 -0.04 -0.17 -0.01 -0.04 -0.17 0.00 -0.07 -0.02 -0.01 -0.02 -0.01 -0.08 0.22 0.08 0.03 -0.01 0.13 0.03 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.03 -0.00 0.00 -0.00 -0.00 0.05 -0.03 -0.01 -0.00 0.06 -0.05 -0.01 -0.07 0.07 0.24 0.05 -0.14 0.11 -0.02 -0.04 0.10 0.08 0.06 0.02 0.04 -0.10 -0.11 -0.00 -0.01 0.03 0.06 0.07 0.00 0.06 -0.02 -0.23 -0.11 0.14 -0.06 0.04 -0.05 -0.03 -0.19 0.01 -0.02 -0.08 0.10 -0.06 0.00 -0.01 -0.01 0.02 0.01 0.01 -0.02 -0.03 0.03 0.05 -0.01 0.02 0.00 0.00 0.00 -0.03 -0.04 -0.03 0.06 0.01 -0.04 0.01 0.01 0.04 0.12 -0.15 0.12 0.14 0.14 0.05 -0.02 0.05 0.01 0.06 0.09 0.03 0.03 -0.12 -0.11 0.04 -0.11 -0.12 0.02 -0.09 -0.09 -0.08 0.08 -0.05 -0.08 -0.07 0.20 -0.06 0.06 -0.02 0.05 0.09 -0.01 0.01 0.12 -0.42 -0.01 0.14 0.02 0.03 -0.09 -0.26 -0.18 0.04 -0.16 0.05 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.03 -0.01 -0.01 0.02 -0.01 -0.07 -0.02 -0.10 0.07 0.05 -0.10 -0.02 0.07 0.04 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.01 -0.03 -0.01 -0.01 0.04 -0.03 -0.01 -0.03 -0.03 0.03 -0.03 -0.02 -0.05 0.29 -0.06 0.08 -0.05 -0.02 0.06 0.10 -0.06 -0.04 -0.01 -0.00 0.00 0.01 0.01 0.08 -0.10 -0.04 -0.07 -0.04 0.02 -0.00 -0.16 0.09 -0.08 -0.05 -0.01 0.04 0.01 0.14 0.04 0.08 0.05 -0.09 0.05 0.00 -0.00 0.02 -0.03 -0.01 0.01 0.01 0.03 -0.04 -0.03 0.01 -0.04 -0.00 -0.00 -0.00 0.03 0.03 0.03 -0.03 -0.01 0.04 -0.00 0.01 -0.04 -0.05 0.04 -0.09 -0.11 -0.10 0.01 -0.06 -0.08 0.02 0.01 -0.03 0.02 0.01 0.05 0.17 0.08 -0.07 -0.02 0.06 -0.06 -0.00 -0.01 0.11 -0.12 0.00 0.08 -0.07 -0.00 0.09 -0.10 0.00 -0.09 -0.22 0.11 -0.10 -0.56 0.05 -0.17 -0.05 0.05 0.09 0.24 0.18 0.01 -0.13 0.01 -0.02 -0.01 -0.05 0.01 -0.02 0.00 0.05 -0.01 0.02 0.00 -0.01 0.02 -0.04 -0.01 0.07 0.01 0.14 -0.02 -0.04 0.14 0.03 -0.04 -0.02 0.02 0.00 -0.01 -0.01 -0.01 -0.01 0.10 -0.04 0.04 0.04 -0.06 0.01 0.05 -0.13 0.05 -0.02 0.01 -0.00 0.04 -0.04 0.02 -0.07 0.02 0.01 -0.06 0.07 -0.01 -0.05 -0.05 -0.01 -0.01 0.03 0.04 0.01 0.03 -0.05 -0.10 -0.07 -0.02 -0.06 -0.03 -0.00 0.08 -0.00 0.01 0.02 0.06 0.05 0.13 0.07 0.02 -0.14 0.23 -0.16 -0.02 0.03 -0.13 -0.03 -0.00 -0.00 -0.00 -0.07 0.13 0.07 -0.03 0.13 -0.01 0.02 -0.00 -0.06 -0.06 -0.08 0.07 0.02 -0.09 0.01 -0.01 0.13 -0.18 -0.00 -0.05 -0.07 -0.07 -0.01 -0.04 -0.05 -0.00 -0.04 -0.05 -0.01 -0.00 0.05 0.08 0.01 0.02 0.04 0.01 0.02 0.04 0.02 0.03 -0.04 0.02 0.05 -0.08 0.02 0.02 -0.04 -0.13 -0.01 -0.06 -0.02 0.00 -0.03 0.08 0.05 -0.00 -0.01 0.07 0.10 0.16 0.01 0.04 -0.00 0.03 -0.01 -0.01 0.03 -0.00 0.02 0.08 0.00 0.02 0.07 -0.00 0.05 -0.06 0.01 -0.17 0.01 -0.45 0.03 0.13 -0.47 -0.08 0.12 -0.07 -0.01 0.01 0.01 -0.01 -0.02 0.00 0.11 0.00 -0.07 0.02 -0.03 0.01 -0.06 -0.07 -0.06 0.00 -0.00 0.00 0.04 -0.03 -0.12 -0.04 -0.05 0.13 -0.04 0.04 0.12 -0.02 -0.01 -0.00 -0.00 0.02 0.02 0.00 0.00 -0.01 -0.05 -0.03 0.04 0.00 -0.01 -0.13 0.00 0.03 0.08 0.02 0.05 0.06 0.07 0.06 -0.08 -0.06 0.05 -0.07 0.01 -0.04 0.15 -0.02 -0.00 -0.01 -0.02 -0.00 -0.08 -0.01 0.01 -0.09 -0.01 0.01 -0.00 0.01 -0.03 0.02 0.03 0.01 0.02 0.03 0.04 -0.09 -0.01 -0.06 0.14 -0.02 -0.02 0.00 -0.00 -0.01 -0.01 -0.02 -0.03 -0.01 -0.00 0.01 -0.00 -0.02 0.03 0.03 -0.02 0.04 0.03 0.02 -0.01 0.00 0.01 0.01 -0.04 0.01 -0.01 0.00 -0.15 0.01 0.45 -0.11 0.04 0.30 -0.00 0.10 0.09 0.04 0.05 -0.00 0.07 0.05 -0.06 -0.01 0.03 0.00 -0.01 -0.01 0.01 0.02 0.03 0.01 0.01 0.05 0.01 0.03 -0.04 0.01 0.04 -0.10 0.39 0.08 -0.06 0.40 0.06 0.01 0.24 -0.04 0.01 0.01 -0.00 -0.04 -0.01 -0.02 0.02 -0.01 -0.00 0.00 0.01 -0.03 0.06 -0.01 -0.00 -0.00 0.00 0.02 -0.01 -0.09 -0.01 0.01 0.00 -0.03 0.01 0.16 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.03 0.03 -0.00 -0.14 -0.01 0.00 0.07 0.04 0.01 -0.04 0.02 0.01 -0.07 0.05 -0.15 0.08 -0.06 0.00 -0.15 -0.00 -0.00 -0.00 0.01 -0.01 0.05 -0.03 -0.01 0.05 0.00 -0.00 -0.00 0.04 -0.01 -0.00 -0.04 0.04 0.02 0.11 0.03 0.08 0.09 -0.06 -0.03 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.02 -0.02 0.02 0.01 -0.01 0.02 0.01 0.01 -0.01 0.01 0.01 0.00 -0.02 0.01 -0.01 0.01 -0.08 0.01 0.44 -0.04 0.01 0.16 0.06 -0.10 -0.07 0.09 0.04 0.06 0.03 0.01 -0.17 -0.00 0.02 0.01 -0.00 -0.02 0.01 0.00 -0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 0.01 -0.07 0.07 -0.42 -0.14 0.06 -0.42 0.06 0.08 -0.36 -0.14 0.06 0.03 -0.03 -0.15 -0.02 0.07 -0.02 -0.05 -0.02 0.03 -0.02 0.02 -0.03 0.04 -0.00 0.00 -0.00 -0.02 0.02 0.07 0.02 0.09 0.02 0.03 -0.03 -0.13 0.01 0.01 0.00 0.00 -0.01 -0.02 -0.00 -0.00 0.01 0.05 0.03 -0.01 0.00 0.01 0.11 0.00 -0.04 -0.05 0.04 0.10 0.05 -0.05 -0.07 0.04 -0.09 -0.01 -0.06 -0.15 -0.09 0.04 0.02 0.00 0.00 -0.05 -0.08 -0.02 -0.09 0.00 0.01 0.01 -0.00 0.00 0.11 -0.14 -0.05 -0.05 0.17 0.04 0.38 0.22 -0.04 -0.07 0.08 -0.02 0.01 0.01 -0.00 0.01 0.01 0.01 0.02 0.02 0.01 0.00 -0.01 0.01 0.02 -0.02 -0.02 0.01 -0.03 -0.02 -0.01 -0.00 0.01 -0.01 -0.01 0.02 -0.01 0.00 0.00 0.13 -0.02 -0.34 0.09 -0.05 -0.09 0.01 0.07 0.08 0.01 0.11 0.12 -0.07 -0.07 0.16 0.01 -0.03 -0.00 0.00 0.01 -0.01 -0.02 -0.03 -0.01 -0.01 -0.05 -0.00 -0.03 0.05 -0.01 -0.13 -0.16 0.09 -0.17 -0.06 0.10 0.39 0.21 0.06 0.03 -0.01 -0.01 0.00 0.02 0.00 0.06 -0.02 0.01 -0.07 0.10 -0.01 -0.06 -0.13 -0.04 -0.01 0.01 -0.00 -0.02 0.01 -0.04 -0.11 0.11 -0.09 0.02 -0.05 0.08 0.01 0.03 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.21 0.05 0.04 0.12 0.02 -0.04 -0.03 -0.11 0.03 -0.06 0.15 0.10 -0.10 -0.16 -0.03 -0.04 0.06 -0.04 0.02 0.02 -0.01 0.03 0.01 0.01 0.00 0.01 0.00 0.03 -0.00 -0.00 0.02 -0.02 0.00 -0.02 0.02 0.01 0.04 -0.03 -0.01 -0.06 -0.03 0.01 -0.18 0.01 -0.20 0.00 0.01 0.00 0.04 0.03 0.01 0.04 0.02 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.02 0.00 -0.02 0.02 -0.00 -0.01 -0.00 -0.00 -0.02 0.02 0.25 -0.07 0.22 0.13 -0.13 0.01 0.07 -0.19 -0.02 -0.02 0.25 0.53 -0.09 -0.14 -0.14 -0.00 -0.04 0.01 -0.00 -0.06 -0.00 -0.03 -0.12 -0.01 -0.04 -0.12 0.01 -0.08 0.12 -0.01 0.01 0.02 -0.03 0.07 0.03 -0.04 -0.08 -0.00 -0.02 -0.01 0.01 -0.01 -0.00 -0.00 -0.02 -0.06 -0.03 0.05 -0.00 -0.00 0.01 0.07 0.03 0.07 -0.00 0.00 0.00 0.01 0.00 -0.04 0.03 0.05 -0.09 -0.01 -0.00 0.07 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.05 0.00 -0.01 0.04 -0.00 -0.04 -0.07 -0.00 -0.02 -0.00 -0.01 0.04 -0.00 -0.02 0.00 -0.05 0.00 0.00 -0.00 0.01 -0.03 0.10 0.01 -0.02 0.11 0.00 0.00 -0.00 -0.01 0.00 -0.09 -0.02 0.03 -0.08 0.02 0.02 -0.06 0.06 -0.00 -0.14 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.04 0.02 0.17 0.04 -0.01 -0.08 0.05 -0.16 -0.13 0.00 -0.02 0.06 0.03 -0.03 -0.19 -0.00 0.01 0.01 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 0.06 -0.10 0.45 0.05 -0.09 0.46 0.11 -0.09 0.54 -0.01 0.00 0.02 0.00 -0.01 0.02 -0.06 -0.06 0.05 0.02 -0.03 0.01 0.13 0.02 0.11 -0.04 0.03 -0.01 -0.01 0.03 -0.05 0.07 0.09 -0.13 -0.00 0.01 0.07 0.03 0.03 0.00 -0.00 -0.02 -0.04 -0.02 -0.03 0.05 -0.04 0.02 -0.02 -0.01 -0.00 -0.05 0.01 -0.03 0.06 -0.04 -0.09 -0.09 0.02 -0.02 0.03 -0.07 0.16 -0.06 0.03 -0.04 0.19 -0.01 -0.00 -0.00 -0.03 0.01 -0.14 -0.03 0.02 -0.14 -0.01 0.00 -0.00 0.01 -0.05 0.08 0.01 -0.00 0.09 0.03 0.01 0.02 0.08 0.04 -0.18 -0.02 -0.03 0.00 0.07 0.02 0.01 0.07 0.02 0.01 0.01 0.00 0.02 0.03 -0.05 -0.06 0.03 -0.06 -0.05 0.01 -0.07 0.09 0.02 0.00 -0.02 0.01 -0.07 0.07 -0.09 0.04 0.19 0.10 -0.04 -0.23 0.01 -0.20 -0.14 -0.06 -0.07 0.08 0.07 -0.02 -0.32 -0.01 0.04 0.01 0.01 -0.00 0.01 0.02 0.02 0.02 0.01 0.06 0.01 0.03 -0.05 0.01 -0.09 0.02 -0.29 -0.06 0.05 -0.30 -0.05 0.11 -0.38 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.02 -0.02 0.01 -0.09 0.07 -0.01 0.05 0.02 0.04 0.13 -0.12 0.03 0.09 -0.07 0.01 0.02 0.01 -0.02 -0.04 -0.02 0.01 -0.10 -0.11 -0.01 -0.00 0.09 0.16 0.05 0.08 -0.15 0.05 -0.05 0.01 -0.01 -0.03 -0.01 -0.01 0.08 0.01 -0.00 -0.04 -0.04 -0.10 -0.02 -0.01 -0.01 0.04 -0.01 0.01 -0.01 0.05 0.07 0.02 0.01 -0.01 0.00 -0.03 -0.01 0.01 -0.03 0.03 0.02 0.00 0.00 -0.01 0.02 -0.00 0.00 0.02 0.01 0.00 0.00 0.05 0.01 -0.01 0.07 0.11 0.01 -0.29 -0.09 -0.05 -0.29 -0.09 -0.05 -0.03 -0.02 -0.09 -0.12 0.23 0.23 -0.11 0.22 0.19 -0.03 0.21 -0.27 -0.06 -0.02 0.07 -0.03 0.20 -0.23 0.02 -0.00 0.04 -0.06 0.08 -0.05 -0.00 -0.02 -0.04 -0.01 -0.05 -0.06 -0.05 -0.09 -0.06 0.01 -0.04 0.01 0.03 -0.06 0.01 -0.05 -0.13 -0.01 -0.06 -0.11 0.01 -0.12 0.23 -0.02 -0.02 0.00 -0.06 -0.02 0.01 -0.06 -0.00 0.02 -0.08 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 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.01 0.00 -0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.05 -0.00 0.00 0.03 -0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.02 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.06 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.04 0.01 0.22 0.02 -0.00 -0.13 -0.01 0.03 0.02 -0.00 -0.00 -0.02 0.02 0.00 -0.10 -0.31 0.32 0.17 0.24 -0.32 0.27 0.13 -0.39 0.20 -0.19 0.39 0.14 -0.03 0.00 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 -0.02 -0.02 0.01 -0.00 0.00 0.01 0.02 0.01 0.03 -0.01 0.00 0.01 -0.01 0.00 0.09 -0.00 0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 0.00 0.01 -0.02 -0.02 -0.00 0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 -0.11 -0.00 -0.01 -0.04 0.01 -0.01 -0.08 -0.01 0.02 -0.00 0.00 -0.00 0.02 0.01 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.03 -0.07 -0.00 -0.00 -0.01 0.03 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.02 0.02 -0.04 -0.04 0.01 -0.03 -0.02 -0.01 0.02 -0.03 -0.01 0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.13 0.02 0.72 0.03 -0.12 -0.08 0.02 0.01 0.08 -0.09 0.00 0.56 -0.07 0.07 0.04 0.05 -0.08 0.06 0.03 -0.10 0.05 -0.05 0.09 0.03 -0.01 0.01 0.04 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 0.00 0.01 0.00 -0.02 -0.02 0.01 0.02 -0.02 0.03 -0.01 -0.17 -0.02 0.00 0.09 0.00 -0.00 -0.02 -0.00 0.00 0.01 -0.00 0.00 0.02 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 0.02 -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 0.02 -0.00 -0.02 -0.02 -0.01 0.01 -0.01 0.00 0.02 -0.02 -0.02 0.01 -0.03 -0.03 -0.01 0.02 -0.03 -0.01 0.00 0.00 -0.00 0.03 -0.04 -0.16 0.03 0.88 -0.01 0.00 0.03 -0.01 0.02 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.02 0.12 -0.11 -0.07 -0.09 0.11 -0.11 -0.05 0.15 -0.08 0.07 -0.16 -0.05 0.01 0.00 -0.07 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.02 0.16 0.01 0.03 -0.01 -0.02 -0.02 0.09 -0.06 0.02 -0.05 0.06 -0.01 0.01 -0.01 -0.03 0.04 -0.00 0.01 -0.01 -0.07 0.00 0.02 0.01 0.05 0.03 0.01 -0.05 -0.05 0.11 -0.01 0.01 0.11 -0.00 -0.03 -0.10 -0.01 -0.01 0.03 0.02 -0.03 -0.04 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.12 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.10 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.02 -0.05 0.15 0.16 0.02 -0.19 -0.03 -0.05 -0.20 -0.03 -0.02 -0.01 -0.07 -0.13 -0.07 0.11 0.10 -0.06 0.10 0.07 -0.03 0.10 -0.13 -0.05 -0.06 0.13 -0.03 0.10 -0.09 -0.06 0.14 -0.01 0.03 -0.10 0.05 0.00 -0.02 0.01 -0.01 0.04 0.08 -0.10 0.07 -0.01 -0.03 0.16 -0.01 -0.03 0.15 0.00 0.11 0.19 0.05 0.12 0.19 -0.02 0.25 -0.57 0.05 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.06 -0.01 0.01 -0.05 -0.00 -0.00 0.00 -0.02 0.02 -0.12 0.02 -0.02 0.12 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.11 -0.12 0.67 -0.11 0.12 -0.67 0.00 -0.00 0.01 -0.02 0.01 0.01 0.00 -0.01 0.00 -0.14 0.14 0.39 -0.04 -0.02 -0.00 0.05 -0.15 -0.37 -0.01 0.00 0.01 0.00 -0.02 0.01 0.08 -0.18 -0.22 0.02 -0.02 0.05 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.05 -0.04 0.00 -0.01 -0.02 -0.03 -0.00 0.09 -0.04 -0.06 0.08 0.19 0.02 0.05 -0.00 0.21 0.07 -0.10 0.09 0.02 0.02 0.03 -0.01 0.01 -0.03 -0.03 -0.01 -0.05 -0.01 -0.01 0.02 0.04 0.00 -0.01 -0.13 -0.02 -0.14 0.07 0.04 0.08 0.04 -0.01 0.24 -0.13 -0.14 -0.02 -0.02 -0.01 0.04 0.02 0.00 0.02 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.01 0.01 -0.02 0.01 -0.01 0.00 -0.05 -0.03 -0.04 -0.12 0.11 0.18 0.13 0.18 0.04 -0.04 0.06 0.05 0.04 0.03 0.01 0.01 -0.04 0.00 0.01 -0.05 0.00 -0.03 -0.04 -0.01 -0.03 -0.04 0.01 -0.07 0.16 -0.01 -0.13 -0.14 0.00 -0.23 -0.05 0.00 0.09 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 -0.03 0.00 0.15 0.00 -0.00 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.09 0.04 -0.12 -0.05 -0.02 0.12 -0.07 -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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 0.03 -0.00 -0.14 0.33 0.23 -0.05 -0.30 -0.24 -0.15 0.06 -0.18 -0.39 -0.09 0.18 0.11 -0.03 -0.00 -0.21 0.05 -0.17 0.15 0.08 0.16 -0.39 0.10 -0.01 -0.18 0.02 -0.00 -0.09 0.00 -0.00 -0.02 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.07 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.02 0.01 -0.27 -0.23 0.01 -0.02 -0.04 -0.00 -0.08 -0.03 0.00 0.02 0.01 0.01 -0.01 0.01 -0.00 0.13 -0.03 -0.01 0.06 -0.03 -0.01 -0.02 -0.02 -0.00 0.02 -0.01 -0.01 0.01 0.01 0.01 -0.07 -0.00 -0.02 -0.02 -0.01 0.01 -0.01 0.05 0.01 0.37 0.34 0.01 0.02 0.03 0.00 -0.12 -0.05 -0.03 -0.05 -0.08 0.04 0.02 -0.01 0.00 0.02 0.01 -0.01 0.02 -0.01 -0.02 0.01 0.03 0.00 0.02 0.11 0.02 0.07 -0.04 -0.01 -0.04 -0.03 -0.00 0.15 -0.31 -0.27 -0.02 -0.02 -0.01 -0.01 -0.01 -0.00 -0.02 -0.02 -0.01 -0.00 -0.05 -0.06 -0.02 -0.01 -0.01 -0.03 0.04 0.04 -0.02 -0.03 0.03 -0.02 -0.04 0.02 -0.00 0.04 -0.07 -0.09 0.03 -0.02 -0.03 0.05 -0.07 0.12 0.17 0.20 0.12 0.29 0.18 -0.02 0.10 0.01 0.01 -0.03 0.00 0.01 -0.04 0.00 -0.02 -0.01 -0.01 -0.02 -0.01 0.00 -0.04 0.11 -0.01 0.10 0.12 -0.00 0.11 0.03 -0.03 -0.01 -0.07 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.09 -0.12 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.14 0.03 0.02 -0.08 -0.00 0.06 -0.05 -0.01 -0.08 -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 0.00 -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 -0.01 0.35 0.33 0.05 -0.07 0.09 -0.04 -0.08 0.09 0.01 0.07 0.24 0.17 0.08 0.21 0.22 0.14 -0.19 -0.29 0.15 0.20 -0.20 0.12 0.23 -0.15 0.03 -0.17 0.34 -0.01 0.01 0.00 0.03 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.02 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 -0.01 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 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.07 0.04 0.06 -0.03 -0.02 -0.06 -0.04 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 0.00 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 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 0.04 0.00 -0.15 0.28 0.22 -0.06 -0.27 -0.23 -0.15 -0.10 -0.12 0.08 -0.02 -0.29 -0.26 -0.09 0.12 0.35 0.10 0.27 -0.25 0.06 0.11 0.12 -0.04 -0.10 0.35 -0.00 0.01 -0.02 -0.02 -0.00 0.09 -0.02 0.01 0.02 -0.01 -0.00 -0.00 0.02 0.02 -0.18 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.03 -0.00 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 0.02 0.00 -0.04 -0.01 0.03 0.05 0.17 0.00 0.03 -0.00 -0.01 -0.05 0.02 -0.01 0.10 -0.10 0.02 -0.05 0.01 0.04 -0.07 -0.01 -0.01 -0.01 0.06 0.01 -0.02 0.01 -0.02 -0.03 -0.01 -0.00 0.03 -0.14 0.01 0.01 0.00 0.01 0.05 0.12 0.02 0.07 0.00 -0.03 -0.06 -0.06 -0.02 0.00 -0.00 -0.04 0.02 -0.03 0.01 -0.06 0.09 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.04 -0.15 -0.00 0.01 0.01 0.00 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.03 0.04 0.07 -0.14 -0.15 -0.06 0.22 0.06 0.03 0.10 -0.03 -0.02 -0.02 0.05 0.13 0.04 -0.09 -0.08 0.02 -0.05 0.02 0.06 0.02 -0.00 0.06 0.10 -0.09 0.02 -0.09 0.14 0.06 -0.19 0.03 0.08 0.12 -0.09 0.11 0.07 -0.06 0.05 -0.02 -0.12 0.05 -0.31 0.11 -0.00 0.20 -0.01 -0.00 0.20 -0.00 0.10 0.04 0.05 0.11 0.04 -0.02 0.20 -0.51 0.04 0.00 0.02 -0.01 -0.02 0.01 -0.01 0.03 -0.05 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 0.02 -0.00 -0.02 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.02 0.00 0.02 -0.00 0.01 0.01 -0.00 -0.01 0.02 0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.02 -0.01 -0.00 0.00 0.02 -0.02 -0.02 0.10 -0.00 -0.00 -0.03 0.03 0.00 -0.12 0.01 -0.00 -0.02 0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.03 0.02 -0.04 0.07 0.06 -0.02 -0.10 -0.07 -0.04 -0.03 -0.04 -0.01 -0.01 -0.05 -0.05 -0.02 0.03 0.07 0.02 0.06 -0.05 0.02 0.02 0.03 -0.01 -0.01 0.06 0.00 0.02 0.04 0.10 -0.05 -0.58 0.06 -0.06 -0.09 0.04 0.02 0.02 -0.13 0.05 0.72 -0.00 -0.02 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.02 0.05 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.02 0.01 0.05 -0.04 -0.02 0.01 -0.07 -0.01 0.06 -0.03 -0.10 0.01 0.03 0.00 -0.03 0.06 0.07 -0.01 -0.00 -0.00 0.02 -0.03 0.00 0.11 -0.12 -0.13 0.06 -0.05 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 0.13 0.03 -0.13 0.07 0.09 -0.00 0.00 -0.04 0.01 0.01 0.08 -0.05 0.11 0.01 -0.01 0.02 -0.00 -0.04 0.06 0.02 -0.03 0.06 0.02 -0.01 -0.03 -0.00 -0.03 -0.06 -0.01 0.05 -0.00 -0.01 -0.00 0.01 0.00 0.23 -0.34 -0.30 -0.04 -0.05 -0.02 0.07 0.02 0.01 0.03 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 0.01 0.02 -0.01 0.00 -0.01 0.02 -0.08 -0.08 -0.00 0.02 0.13 -0.18 -0.28 -0.20 0.20 -0.12 0.14 0.40 -0.03 -0.01 0.24 0.00 0.04 -0.00 0.01 0.04 0.00 0.02 0.01 0.01 0.02 0.01 -0.00 0.04 -0.11 0.01 -0.00 -0.06 -0.01 0.03 -0.03 -0.01 -0.09 0.17 0.05 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 -0.01 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 -0.01 0.00 -0.01 0.02 -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 0.01 -0.02 0.07 0.02 -0.01 0.07 -0.02 0.02 -0.13 -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 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.07 0.07 -0.41 -0.06 0.07 -0.40 0.11 -0.12 0.78 0.12 -0.10 -0.04 0.02 -0.16 -0.03 -0.08 0.00 0.05 -0.00 0.01 -0.00 -0.05 -0.11 -0.09 0.00 0.01 0.00 0.02 0.01 0.00 0.06 0.19 0.06 -0.02 0.03 0.02 0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.04 0.01 0.11 -0.07 -0.06 -0.02 -0.03 -0.01 0.02 -0.04 0.02 -0.13 0.21 0.07 -0.00 0.00 -0.00 -0.10 0.14 0.04 -0.07 0.16 0.04 0.00 -0.00 0.00 -0.06 -0.09 -0.02 0.13 -0.01 -0.04 -0.01 0.02 0.03 -0.01 0.39 0.23 0.02 0.02 0.00 -0.02 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.01 0.03 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.01 0.02 0.01 0.01 -0.03 0.01 -0.01 0.01 -0.01 0.03 0.01 0.07 -0.05 -0.01 0.10 0.22 -0.02 -0.02 -0.16 -0.31 -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 0.06 -0.11 0.05 0.10 -0.11 0.05 -0.24 0.41 -0.04 -0.05 0.04 0.01 -0.01 0.07 0.01 0.06 0.06 -0.00 -0.00 0.01 0.00 -0.18 -0.17 -0.03 0.01 0.01 0.00 0.02 0.01 0.00 0.30 0.23 -0.08 0.07 -0.01 0.06 0.00 -0.02 0.00 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.11 -0.05 -0.02 0.00 -0.00 -0.01 0.03 0.06 0.02 -0.04 -0.11 0.06 -0.04 -0.05 -0.04 -0.09 0.02 0.07 -0.03 -0.11 -0.07 -0.01 -0.01 -0.00 0.05 -0.08 -0.01 0.04 -0.08 -0.01 -0.00 0.00 0.00 0.03 0.11 0.02 0.02 -0.03 -0.00 -0.00 -0.01 -0.01 0.27 0.39 0.06 0.04 0.04 0.00 -0.04 -0.00 -0.01 -0.05 -0.00 -0.00 -0.00 0.03 0.05 0.02 -0.03 -0.03 0.02 -0.03 -0.00 0.01 -0.03 0.03 0.01 0.02 -0.04 0.01 -0.02 0.00 -0.13 -0.03 -0.01 0.14 0.06 -0.04 -0.26 0.20 0.26 -0.18 -0.18 -0.13 -0.06 -0.07 0.19 -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 0.01 -0.00 -0.05 0.12 -0.01 0.05 0.04 -0.04 0.09 -0.17 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.04 -0.07 -0.03 -0.01 -0.01 0.01 0.02 0.03 0.05 0.01 0.03 -0.00 0.00 -0.01 -0.02 -0.05 -0.03 0.02 0.02 0.02 -0.09 0.01 -0.02 0.04 -0.06 -0.02 0.04 0.04 0.04 0.01 0.01 -0.01 -0.04 -0.01 -0.03 -0.06 0.00 0.04 -0.01 0.04 0.01 0.03 -0.01 0.02 0.03 0.03 0.03 0.01 -0.01 0.06 0.13 0.01 0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.09 0.00 0.00 -0.04 -0.01 -0.03 0.02 0.01 -0.00 -0.00 -0.00 -0.06 0.00 -0.04 0.28 0.27 0.04 -0.26 -0.00 -0.09 -0.30 -0.02 -0.02 -0.03 0.10 0.25 0.11 -0.22 -0.20 0.05 -0.08 0.08 0.01 -0.20 0.22 0.03 0.04 -0.19 0.06 -0.04 -0.09 -0.01 0.10 -0.00 -0.12 -0.05 -0.04 -0.08 0.17 0.16 -0.09 -0.08 -0.11 -0.04 0.11 0.04 0.05 0.18 0.02 0.05 0.18 -0.01 0.05 -0.07 0.03 0.06 -0.07 -0.01 0.07 -0.17 0.02 0.02 -0.04 -0.01 -0.01 0.05 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.02 -0.03 -0.06 -0.03 -0.02 -0.00 -0.01 -0.00 0.02 -0.03 -0.04 0.00 -0.02 0.00 -0.01 -0.01 0.01 -0.09 -0.06 0.01 0.03 -0.02 0.08 -0.00 0.01 -0.04 0.05 0.04 -0.04 -0.04 0.04 0.05 0.01 -0.01 -0.02 -0.01 0.00 -0.04 0.01 0.07 -0.04 0.08 0.03 0.02 -0.01 0.03 0.05 0.05 0.04 0.02 -0.01 0.03 0.05 0.00 0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 -0.03 0.00 0.00 -0.05 -0.01 -0.04 0.03 0.01 -0.00 -0.00 -0.00 -0.10 0.08 -0.05 -0.26 -0.25 -0.05 0.27 0.02 0.08 0.25 0.00 0.01 0.03 -0.05 -0.18 -0.07 0.19 0.18 -0.02 0.04 -0.10 -0.03 0.19 -0.22 -0.05 -0.07 0.23 -0.07 0.08 0.05 0.03 0.08 0.01 -0.01 -0.04 -0.02 -0.13 0.33 0.27 -0.17 -0.16 -0.23 0.02 0.01 0.10 0.03 0.08 0.01 0.03 0.07 -0.00 0.02 -0.02 0.01 0.03 -0.02 -0.00 0.03 -0.07 0.01 0.03 -0.05 -0.02 -0.02 0.07 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.03 0.04 0.07 -0.12 -0.09 -0.02 -0.00 -0.01 -0.03 -0.01 -0.02 -0.02 -0.03 0.02 0.00 0.05 0.02 0.07 0.04 -0.02 -0.03 -0.01 0.04 -0.01 0.03 -0.02 0.04 -0.00 -0.02 -0.02 -0.01 0.04 -0.00 -0.02 -0.05 0.01 -0.02 -0.00 -0.01 -0.08 0.02 -0.06 0.05 0.05 0.02 -0.04 -0.05 -0.05 -0.06 -0.03 0.01 0.11 0.21 0.01 0.00 -0.01 -0.00 -0.01 0.02 0.00 0.01 -0.13 0.00 -0.01 0.07 0.01 0.06 -0.04 -0.02 0.01 0.00 0.00 0.16 -0.03 0.05 -0.12 -0.12 -0.01 0.09 -0.02 0.04 0.16 0.03 0.02 0.02 -0.11 -0.21 -0.10 0.13 0.12 -0.06 0.10 0.00 0.02 0.09 -0.10 0.00 0.01 0.06 -0.02 -0.01 0.09 -0.06 0.13 -0.02 -0.09 0.00 -0.01 0.10 -0.28 -0.23 0.14 0.13 0.20 0.03 0.11 -0.06 0.08 0.29 0.03 0.09 0.29 -0.01 0.09 -0.10 0.05 0.10 -0.10 -0.02 0.11 -0.27 0.02 -0.06 0.07 0.02 0.02 -0.10 -0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.06 0.00 -0.00 -0.05 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.05 -0.09 -0.01 -0.05 0.11 -0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 -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 -0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.01 0.01 -0.00 -0.02 -0.07 0.18 0.13 -0.02 -0.14 -0.13 -0.07 0.03 0.27 0.34 0.20 -0.08 -0.05 0.18 -0.29 -0.23 -0.17 0.10 -0.15 -0.15 -0.26 0.36 -0.09 0.28 -0.28 0.00 -0.00 -0.05 -0.00 0.01 0.01 0.02 -0.05 -0.04 0.03 0.02 0.03 0.01 0.00 -0.03 0.00 0.01 0.00 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 0.00 -0.02 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.03 0.06 0.03 0.02 0.01 0.00 0.08 0.07 0.02 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.04 -0.05 -0.13 -0.06 0.01 0.03 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 0.00 0.04 0.02 0.01 -0.00 0.00 -0.01 -0.01 -0.03 0.00 0.02 -0.04 0.12 0.01 0.01 -0.01 -0.04 -0.08 -0.08 -0.12 -0.06 0.02 -0.01 -0.02 -0.00 -0.01 -0.03 -0.01 -0.04 0.05 0.01 -0.00 0.01 -0.00 -0.06 0.18 0.04 0.13 -0.15 -0.05 0.06 0.03 -0.00 -0.10 -0.06 -0.16 0.01 0.02 0.01 -0.02 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.02 0.00 -0.02 -0.02 -0.00 0.00 0.02 0.01 -0.02 0.03 0.01 0.02 -0.04 0.01 -0.02 0.00 0.04 0.02 0.02 -0.06 -0.03 -0.02 0.01 0.35 0.17 -0.06 -0.12 -0.25 0.00 -0.01 0.08 -0.00 -0.02 -0.00 -0.01 -0.02 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.02 -0.00 -0.42 0.19 0.11 -0.10 -0.52 -0.08 0.06 0.05 -0.01 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 0.03 0.06 0.05 0.00 0.00 0.00 0.04 0.04 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.06 -0.01 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.06 0.00 0.00 -0.00 -0.08 -0.11 -0.09 -0.10 -0.06 0.02 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.04 0.00 -0.00 0.00 -0.00 0.09 -0.02 -0.02 0.03 0.09 0.01 -0.09 -0.05 0.01 -0.02 -0.06 -0.11 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 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.02 0.00 -0.01 0.06 0.16 0.02 0.03 -0.04 -0.12 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 0.66 -0.01 -0.11 0.31 0.53 0.05 -0.10 -0.06 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 0.06 -0.00 -0.02 -0.02 -0.01 0.02 -0.01 0.00 0.16 -0.07 0.03 0.08 -0.02 0.02 -0.07 0.01 -0.03 -0.03 0.04 -0.01 -0.04 0.01 -0.01 -0.04 0.01 -0.00 0.09 0.08 0.01 -0.08 -0.04 -0.01 -0.04 -0.10 -0.00 -0.03 0.02 -0.02 -0.03 0.05 -0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.06 -0.10 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.08 0.04 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.26 -0.07 0.01 -0.17 -0.16 -0.03 0.11 -0.01 0.04 0.11 -0.01 -0.00 0.01 0.11 0.13 0.07 -0.01 -0.00 0.05 -0.08 -0.05 0.07 -0.00 0.02 0.06 0.10 -0.13 0.02 -0.08 0.06 -0.09 0.42 -0.04 -0.37 -0.10 -0.07 -0.08 -0.13 0.02 0.07 0.06 0.08 -0.12 0.23 -0.04 0.08 -0.06 0.02 0.09 -0.06 0.01 0.04 0.26 0.03 0.05 0.24 -0.02 0.07 -0.17 0.01 0.03 0.00 -0.00 0.03 0.03 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.08 -0.00 -0.01 0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.08 0.03 -0.01 -0.02 0.02 -0.00 0.02 -0.01 0.01 0.02 -0.02 0.00 0.02 0.00 0.00 0.02 0.00 0.00 0.01 -0.04 0.00 0.00 0.02 -0.00 -0.00 0.06 -0.00 0.01 -0.01 0.00 0.04 -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.18 -0.09 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.16 0.05 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.08 0.04 0.01 0.10 0.10 0.02 -0.06 0.01 -0.02 -0.06 0.01 0.00 -0.01 -0.05 -0.05 -0.03 -0.01 -0.02 -0.03 0.04 0.04 -0.04 -0.01 0.01 -0.03 -0.05 0.05 -0.01 0.04 -0.05 0.16 -0.32 0.05 0.04 0.06 0.01 0.03 0.05 -0.01 -0.03 -0.02 -0.02 0.13 -0.17 0.03 0.15 -0.10 0.04 0.15 -0.10 0.01 0.11 0.44 0.08 0.13 0.44 -0.05 0.15 -0.38 0.03 -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 0.01 -0.00 -0.05 -0.05 -0.01 0.01 0.02 -0.00 0.05 0.01 0.01 0.10 -0.01 0.02 -0.06 -0.01 -0.00 0.12 0.03 0.03 -0.03 0.02 -0.01 -0.03 -0.01 -0.00 -0.03 -0.01 -0.01 -0.10 -0.04 -0.02 0.04 0.04 0.00 0.07 -0.02 0.01 0.01 -0.01 0.01 -0.13 -0.01 -0.02 0.00 -0.01 -0.02 0.01 0.00 0.00 0.05 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.32 0.00 -0.06 -0.13 -0.12 -0.02 0.05 -0.02 0.03 0.06 -0.02 -0.01 0.01 0.07 0.05 0.05 0.03 0.04 0.04 -0.07 -0.08 0.05 0.03 -0.02 0.03 0.07 -0.05 0.01 -0.07 0.10 -0.16 0.07 -0.03 0.50 -0.05 0.10 0.08 0.08 -0.03 -0.04 -0.03 -0.03 -0.40 0.47 -0.07 0.05 -0.01 0.01 0.01 -0.02 -0.01 0.03 0.06 0.02 0.03 0.08 -0.01 0.02 -0.06 0.01 -0.01 -0.00 0.00 -0.02 -0.02 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.05 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 0.00 0.17 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.54 0.06 -0.06 -0.49 -0.06 -0.23 0.15 -0.33 0.14 -0.19 0.33 0.07 -0.04 0.01 0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.01 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.00 0.00 -0.00 0.03 -0.00 -0.01 -0.02 -0.03 -0.00 -0.03 0.06 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.51 0.01 -0.09 -0.28 -0.44 -0.04 -0.31 0.57 0.16 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.02 0.04 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.04 0.00 -0.03 0.02 -0.01 0.03 -0.02 -0.01 -0.09 0.05 -0.02 0.00 -0.02 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.03 -0.03 0.01 -0.01 -0.02 -0.00 0.05 -0.04 0.01 -0.02 0.03 -0.03 -0.03 0.04 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 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 0.09 -0.03 -0.00 0.05 0.05 0.01 -0.05 -0.00 -0.02 -0.04 0.01 0.00 0.00 -0.04 -0.06 -0.02 0.02 0.02 -0.01 0.01 -0.03 -0.02 0.02 -0.03 -0.02 -0.03 0.06 -0.02 0.02 0.03 0.12 -0.19 0.03 0.42 -0.06 0.08 -0.47 -0.21 0.32 0.48 0.12 -0.25 -0.09 0.15 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.06 0.00 0.33 0.01 -0.00 -0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.00 -0.14 0.04 0.01 -0.09 -0.00 -0.02 -0.10 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.01 0.29 -0.32 -0.31 0.08 0.28 0.32 0.17 -0.08 -0.14 0.03 0.02 -0.24 -0.25 0.02 -0.03 0.15 0.06 0.22 -0.25 0.06 0.14 0.04 -0.06 0.04 0.11 0.00 0.01 -0.05 0.01 -0.00 -0.04 0.02 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 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 0.01 0.06 -0.00 0.00 -0.01 -0.00 0.03 0.22 -0.00 0.00 0.05 -0.00 0.01 -0.02 0.01 -0.03 0.01 -0.02 -0.01 -0.06 -0.00 -0.01 -0.08 0.02 0.00 -0.09 -0.02 0.03 -0.06 0.01 -0.02 -0.09 0.00 -0.01 -0.02 0.00 0.01 -0.01 0.02 0.01 0.03 0.00 0.00 0.01 0.02 -0.02 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.25 -0.06 0.04 0.08 0.08 0.02 -0.18 -0.00 -0.06 -0.19 0.00 -0.00 0.10 0.02 -0.21 -0.02 0.16 0.16 -0.00 -0.02 -0.26 0.04 0.15 -0.16 0.02 0.04 0.23 -0.09 -0.00 0.24 0.05 -0.10 0.01 0.11 -0.02 0.02 0.31 0.10 -0.22 -0.35 -0.08 0.21 -0.08 0.21 -0.03 0.02 0.02 -0.00 0.01 0.02 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.04 0.04 0.00 -0.02 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 0.01 0.03 -0.00 0.01 -0.01 -0.00 -0.08 -0.12 -0.02 -0.05 -0.02 -0.01 0.01 -0.02 0.00 -0.07 -0.01 -0.03 0.03 0.02 0.01 0.03 0.05 -0.00 0.03 0.05 0.01 0.02 0.01 0.00 -0.01 -0.05 0.00 0.06 -0.02 0.01 0.01 -0.01 0.02 -0.01 0.06 -0.00 0.01 0.02 0.02 -0.02 -0.01 0.00 -0.01 -0.01 0.00 0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.34 -0.03 0.08 0.04 0.03 0.00 0.08 0.03 0.01 0.07 0.02 0.01 -0.08 -0.10 0.05 -0.05 -0.10 -0.10 -0.03 0.07 0.18 -0.09 -0.10 0.09 -0.06 -0.11 -0.07 0.04 0.06 -0.18 0.04 -0.03 0.01 0.48 -0.04 0.09 0.27 0.08 -0.19 -0.31 -0.07 0.19 -0.15 0.33 -0.04 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.05 0.05 0.00 -0.03 0.05 0.01 -0.04 0.01 0.01 0.01 0.03 0.00 -0.01 -0.01 -0.01 -0.01 -0.09 -0.00 0.03 -0.00 -0.02 0.10 -0.00 0.02 0.01 -0.01 0.00 0.01 -0.05 -0.01 -0.07 0.05 -0.02 -0.04 0.01 -0.01 -0.04 -0.00 -0.01 -0.04 -0.00 -0.01 0.01 0.02 0.00 0.00 0.15 -0.00 0.01 -0.02 0.00 0.00 0.01 -0.01 -0.04 -0.00 -0.01 0.03 0.02 0.04 -0.07 0.01 0.01 0.01 0.03 0.00 0.13 -0.01 -0.02 -0.10 -0.08 0.00 0.01 -0.00 0.00 0.03 -0.02 -0.01 0.05 -0.04 -0.02 -0.01 -0.00 0.00 0.20 0.09 0.16 -0.09 -0.06 -0.01 0.03 -0.04 0.04 0.04 -0.04 -0.02 0.02 0.09 0.08 0.09 0.00 0.01 0.05 -0.09 -0.05 0.09 0.00 0.02 0.04 0.09 -0.07 0.03 -0.08 0.07 0.22 -0.36 0.05 0.00 -0.02 0.00 0.02 -0.03 -0.03 -0.08 0.01 0.09 0.08 -0.22 0.02 -0.05 -0.06 -0.00 -0.05 -0.06 -0.01 0.01 -0.03 0.01 0.01 -0.02 -0.00 -0.00 0.01 0.00 -0.26 -0.03 0.04 0.28 0.31 0.01 -0.23 0.40 0.11 -0.03 0.01 0.01 0.01 0.03 0.00 0.00 -0.01 0.01 0.00 0.07 -0.00 0.02 0.01 -0.02 -0.08 0.00 -0.02 0.00 0.01 0.00 -0.04 0.02 -0.01 0.08 -0.04 0.03 0.03 -0.01 0.01 0.03 -0.00 0.01 0.03 -0.00 0.01 -0.02 -0.02 -0.00 0.00 -0.12 0.00 -0.02 0.02 -0.00 -0.00 0.01 -0.01 0.03 -0.01 0.00 0.01 -0.02 -0.00 -0.03 0.03 0.01 -0.01 -0.03 -0.00 0.12 0.02 -0.02 -0.09 -0.09 -0.00 -0.00 0.00 0.00 0.02 -0.04 -0.01 0.03 -0.04 -0.01 0.00 -0.00 -0.00 -0.28 0.06 -0.03 0.07 0.04 0.01 -0.02 0.04 -0.03 -0.04 0.04 0.02 -0.01 -0.07 -0.06 -0.07 0.00 -0.01 -0.04 0.07 0.04 -0.07 -0.00 -0.02 -0.03 -0.07 0.06 -0.02 0.07 -0.06 -0.22 0.35 -0.05 -0.05 0.03 -0.01 -0.13 -0.03 0.09 0.19 0.04 -0.13 -0.05 0.14 -0.00 0.04 0.06 0.00 0.04 0.05 0.01 -0.01 0.02 -0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.33 -0.05 0.05 0.23 0.27 0.01 -0.23 0.42 0.11 -0.04 0.03 0.01 -0.00 -0.06 -0.01 -0.00 -0.03 -0.02 -0.00 0.01 -0.00 0.04 -0.02 -0.02 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.08 -0.07 -0.07 0.05 -0.03 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.02 -0.00 0.01 0.05 -0.03 0.01 -0.01 -0.00 0.05 0.09 0.08 -0.07 -0.05 -0.01 0.00 -0.01 0.00 0.08 -0.11 -0.03 0.01 0.17 0.03 -0.00 0.00 -0.00 0.03 0.03 0.00 0.03 0.03 0.00 -0.07 -0.03 0.00 0.09 0.62 0.61 0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.07 0.10 -0.01 -0.09 0.03 -0.02 -0.13 -0.09 0.07 0.02 0.07 0.07 -0.04 0.08 0.01 0.01 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.09 0.03 -0.01 -0.06 -0.10 -0.01 -0.00 -0.17 -0.03 -0.08 0.04 0.02 -0.01 -0.08 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.04 0.01 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.06 0.06 0.06 -0.02 0.03 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.03 0.02 -0.01 0.01 0.00 -0.04 -0.05 -0.05 0.08 0.05 -0.00 -0.00 0.00 -0.00 0.24 -0.05 -0.05 0.04 0.21 0.03 0.00 -0.00 0.00 0.04 -0.06 -0.02 -0.02 0.06 0.02 -0.11 -0.07 0.01 -0.08 -0.44 -0.43 -0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.04 -0.05 0.01 0.06 -0.02 0.01 0.08 0.06 -0.04 -0.03 -0.05 -0.04 0.04 -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 -0.47 -0.09 0.06 -0.26 -0.27 -0.01 -0.17 -0.00 0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.08 0.00 0.00 -0.00 0.00 0.25 -0.11 0.05 -0.13 0.15 -0.03 -0.04 0.03 -0.01 0.05 -0.07 0.01 -0.07 0.05 -0.01 -0.07 0.03 -0.02 -0.07 0.03 -0.01 0.02 -0.03 0.00 -0.08 -0.16 -0.01 -0.08 0.04 -0.02 -0.00 0.00 0.00 0.12 -0.01 0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.03 -0.02 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.06 0.02 -0.21 -0.15 -0.03 0.12 -0.12 0.12 0.16 -0.12 -0.06 -0.00 0.15 0.15 0.22 -0.05 -0.01 0.12 -0.20 -0.02 0.20 -0.04 0.09 0.05 0.14 -0.15 0.11 -0.20 0.07 0.16 -0.31 0.04 0.12 0.04 0.02 -0.03 0.01 0.03 0.09 0.01 -0.07 -0.06 0.36 -0.02 0.06 0.09 -0.01 0.07 0.12 0.03 -0.01 -0.01 -0.02 -0.02 -0.00 0.01 -0.00 0.01 0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.02 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 -0.02 -0.01 0.07 0.01 0.04 0.00 -0.03 -0.08 -0.00 -0.07 0.04 -0.07 -0.01 -0.14 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.04 0.06 -0.01 0.08 0.03 0.01 0.06 0.03 0.01 -0.01 0.02 0.05 -0.01 0.05 -0.00 -0.10 -0.09 -0.06 0.10 0.02 -0.01 0.00 0.01 0.00 0.03 0.10 0.01 0.01 -0.02 -0.01 -0.00 -0.00 -0.01 -0.03 -0.05 -0.00 -0.03 0.03 0.01 0.01 -0.03 -0.01 0.60 0.26 0.30 0.01 0.00 0.00 -0.03 -0.00 -0.01 -0.04 -0.00 -0.00 0.02 0.03 -0.00 0.02 0.01 0.01 -0.00 -0.01 -0.03 0.02 0.01 -0.01 0.02 0.03 0.01 -0.01 -0.00 0.03 0.01 -0.03 0.00 -0.18 0.05 -0.04 0.14 0.07 -0.07 0.30 0.06 -0.24 -0.09 0.21 -0.02 -0.04 -0.10 -0.01 -0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.00 0.02 -0.00 -0.00 -0.01 0.01 -0.20 -0.05 0.02 -0.11 -0.09 0.00 -0.05 0.08 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.03 -0.00 0.00 0.00 -0.03 -0.01 -0.01 0.04 0.03 0.01 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.02 0.00 -0.04 0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.08 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.00 0.02 0.03 0.01 0.01 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.02 -0.00 -0.03 0.00 -0.00 -0.01 0.02 0.02 -0.03 0.00 -0.01 -0.00 -0.02 0.00 -0.01 0.02 -0.02 0.07 -0.14 0.05 -0.09 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.07 0.12 -0.01 -0.24 -0.59 -0.03 0.23 0.60 0.02 0.09 -0.19 0.06 -0.11 0.17 0.02 -0.02 0.01 0.11 -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 -0.02 0.03 0.01 0.00 0.00 -0.01 0.09 0.02 0.01 -0.12 -0.08 -0.02 -0.00 -0.01 0.01 -0.02 0.03 -0.01 -0.00 -0.00 -0.00 -0.03 0.00 -0.00 -0.03 0.00 -0.01 -0.03 0.04 -0.01 0.13 -0.06 0.03 0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.03 0.06 -0.01 0.02 0.02 0.01 -0.02 -0.00 0.00 0.01 -0.02 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.07 -0.04 -0.06 -0.09 -0.01 -0.04 -0.03 0.01 -0.03 -0.03 -0.02 0.01 0.05 0.01 0.08 -0.01 0.00 0.04 -0.07 -0.05 0.07 -0.02 0.03 0.01 0.04 -0.01 0.03 -0.07 0.07 -0.26 0.47 -0.05 0.31 -0.02 0.06 -0.02 -0.01 0.01 -0.03 -0.01 0.02 0.25 -0.45 0.05 -0.08 -0.26 -0.01 0.14 0.30 0.01 0.05 -0.04 0.03 -0.04 0.13 0.01 -0.02 0.00 0.05 0.04 0.01 -0.00 0.02 0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.04 0.02 0.06 -0.01 -0.02 -0.00 0.02 0.06 0.00 0.12 -0.12 -0.06 0.00 0.16 0.02 0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.04 -0.06 0.01 -0.05 -0.02 -0.01 -0.07 -0.04 -0.01 -0.03 0.05 0.03 -0.00 -0.03 -0.00 -0.07 -0.07 -0.04 0.08 -0.02 -0.01 0.00 -0.01 0.00 0.02 0.09 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 -0.05 -0.03 0.00 -0.00 0.05 0.01 0.02 -0.04 -0.01 -0.23 0.46 0.38 -0.02 -0.02 -0.00 0.01 0.00 0.01 0.02 0.00 -0.00 -0.02 -0.03 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.02 -0.01 0.01 -0.02 -0.03 -0.00 0.01 -0.00 -0.00 -0.08 0.16 -0.02 0.30 -0.06 0.06 0.31 -0.00 -0.25 0.11 0.09 0.02 0.13 -0.29 0.05 0.02 0.05 0.01 0.01 0.03 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.09 -0.03 0.01 -0.10 -0.10 -0.00 -0.03 0.05 0.01 -0.01 -0.00 0.00 0.00 0.02 0.00 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.01 0.02 0.04 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.04 -0.03 -0.05 -0.00 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.03 0.03 0.05 -0.00 -0.00 -0.00 -0.05 -0.08 -0.03 -0.10 0.30 0.08 0.00 -0.00 0.00 -0.09 -0.19 -0.02 0.28 -0.05 -0.06 0.00 0.00 0.00 0.27 -0.03 -0.05 -0.16 -0.22 -0.02 -0.12 0.21 0.06 0.01 0.23 0.19 -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 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.05 -0.01 0.01 0.27 0.02 -0.20 0.27 0.08 -0.18 0.01 -0.03 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 -0.39 -0.04 0.05 0.08 0.16 0.01 0.06 -0.13 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 -0.00 0.01 -0.02 -0.00 -0.01 -0.02 -0.00 0.05 0.07 0.01 -0.13 0.04 -0.00 0.09 0.11 -0.01 0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.01 -0.08 0.01 -0.03 0.03 -0.00 -0.10 -0.01 -0.02 0.00 -0.02 0.03 0.01 -0.06 0.01 0.00 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 0.80 -0.27 -0.05 -0.02 -0.03 -0.01 0.00 0.01 0.00 0.01 0.01 0.00 -0.02 -0.03 -0.00 -0.02 -0.01 -0.01 0.01 -0.00 0.01 -0.02 -0.01 0.00 -0.02 -0.03 -0.00 0.01 -0.00 -0.00 -0.15 0.22 -0.04 0.17 -0.02 0.03 0.00 0.03 0.04 0.13 -0.03 -0.21 0.08 -0.19 0.00 0.00 0.03 0.01 -0.01 0.02 -0.01 0.00 0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 0.02 0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.03 0.06 0.05 -0.00 -0.00 -0.00 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 -0.01 0.01 -0.00 -0.02 0.00 -0.00 0.09 -0.02 -0.10 0.01 -0.00 0.00 -0.07 -0.08 -0.06 0.03 0.03 0.01 0.00 -0.00 0.00 -0.00 0.04 0.01 0.04 -0.02 -0.01 -0.00 0.00 -0.00 0.02 -0.02 -0.01 -0.03 -0.00 0.00 -0.01 0.00 0.00 0.12 0.09 0.14 -0.01 -0.02 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -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 0.01 -0.03 0.07 -0.01 0.08 -0.00 0.01 -0.49 0.04 0.38 -0.47 -0.05 0.51 0.02 -0.02 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.15 -0.03 0.02 -0.05 -0.03 0.00 -0.03 0.03 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 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.00 -0.05 -0.03 -0.01 0.00 -0.02 -0.02 -0.00 -0.02 0.03 -0.02 0.01 -0.00 0.02 -0.01 0.00 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 -0.09 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 -0.00 0.01 0.13 0.20 0.01 0.21 0.07 -0.05 0.19 0.08 0.12 0.02 0.05 0.10 -0.01 0.10 0.06 -0.06 0.04 0.08 0.01 0.12 -0.07 0.07 0.05 -0.11 -0.03 0.05 -0.13 0.04 -0.10 0.01 -0.06 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.00 0.02 0.01 -0.06 0.00 0.12 0.30 0.02 0.12 0.29 0.01 0.01 0.35 -0.16 -0.04 0.35 0.14 -0.26 0.37 -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 0.00 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 0.02 -0.05 -0.08 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 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 0.02 -0.01 0.00 0.00 0.02 0.01 0.04 0.13 0.39 -0.07 0.37 0.20 -0.19 0.13 0.32 -0.00 -0.35 0.22 -0.17 -0.10 0.34 0.06 -0.11 0.36 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -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 0.01 0.01 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.08 -0.05 -0.01 0.00 -0.03 -0.04 -0.01 -0.03 0.04 -0.01 -0.00 -0.00 0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.06 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 0.01 0.21 0.32 0.02 0.36 0.13 -0.09 0.31 0.14 0.20 0.04 0.09 0.17 -0.00 0.17 0.10 -0.10 0.06 0.15 0.03 0.18 -0.11 0.10 0.08 -0.16 -0.04 0.06 -0.19 -0.04 0.04 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 0.02 -0.05 0.00 -0.05 -0.17 -0.02 -0.06 -0.16 0.00 -0.01 -0.23 0.10 0.02 -0.23 -0.09 0.17 -0.24 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 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.07 0.04 0.01 0.02 -0.04 -0.06 -0.01 -0.04 0.06 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -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 0.01 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 -0.17 -0.27 -0.02 -0.30 -0.11 0.07 -0.26 -0.11 -0.17 0.04 0.10 0.31 -0.07 0.30 0.15 -0.16 0.11 0.24 -0.01 0.29 -0.18 0.14 0.09 -0.28 -0.06 0.10 -0.29 0.02 -0.02 0.00 0.07 0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.04 0.07 0.01 0.04 0.07 0.00 -0.03 -0.04 -0.01 -0.03 -0.04 -0.00 0.04 -0.04 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.02 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.01 -0.03 0.02 -0.01 0.03 -0.01 0.01 0.04 -0.02 0.01 0.00 0.00 -0.00 -0.04 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.11 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.10 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.06 -0.01 0.01 0.01 0.02 0.00 0.00 -0.02 0.02 0.01 -0.02 -0.02 -0.01 -0.03 -0.05 -0.01 -0.06 -0.04 0.03 -0.01 -0.05 -0.02 -0.06 0.04 -0.03 -0.02 0.05 0.01 -0.01 0.06 0.08 -0.18 0.02 -0.13 -0.02 -0.02 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.01 -0.09 0.00 0.25 0.46 0.03 0.25 0.44 0.04 -0.16 -0.28 -0.03 -0.16 -0.28 -0.01 0.24 -0.25 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 0.05 -0.00 0.00 0.00 0.00 -0.02 -0.06 -0.00 0.05 0.19 0.00 -0.02 -0.03 -0.00 0.01 0.09 -0.01 0.03 0.05 0.00 0.01 0.01 0.00 0.01 0.01 -0.00 -0.13 0.01 -0.02 0.13 -0.17 0.03 0.10 -0.10 0.02 0.01 0.00 -0.00 -0.10 0.03 -0.02 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.06 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.12 -0.03 0.03 -0.09 -0.11 -0.01 -0.12 -0.14 0.12 -0.07 -0.14 -0.15 -0.02 -0.03 0.03 -0.05 -0.00 -0.01 0.00 0.01 0.01 -0.04 -0.02 0.01 -0.01 -0.03 -0.01 0.01 0.00 0.00 0.04 -0.33 0.02 -0.55 -0.08 -0.10 -0.03 -0.01 0.02 -0.03 -0.00 0.02 0.01 -0.21 0.01 -0.05 -0.29 -0.06 -0.07 -0.29 0.05 0.09 0.08 0.06 0.11 0.08 -0.03 -0.07 0.04 -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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.00 0.03 -0.04 0.01 0.27 0.41 0.08 -0.30 -0.40 0.01 -0.11 0.01 0.69 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.01 -0.01 0.04 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 -0.02 0.00 0.11 0.06 -0.03 0.02 -0.07 0.03 -0.00 0.15 0.17 -0.32 0.50 -0.01 0.08 -0.08 -0.02 0.32 -0.47 -0.00 -0.09 -0.02 -0.16 -0.32 -0.05 0.04 0.30 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 0.02 0.00 0.02 -0.01 0.02 -0.03 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.13 0.11 -0.30 -0.16 -0.09 0.07 0.27 -0.25 -0.10 -0.13 -0.18 0.04 -0.04 0.10 0.04 0.13 -0.16 0.05 -0.24 -0.23 0.09 0.25 0.32 -0.03 -0.34 0.39 0.17 -0.00 0.01 0.01 0.03 0.00 0.02 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 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.02 -0.03 0.02 -0.02 0.03 -0.02 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -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 -0.10 -0.22 -0.18 -0.16 0.34 -0.28 -0.03 0.27 0.20 -0.17 -0.25 -0.14 0.26 0.20 0.15 0.21 -0.34 0.32 0.18 0.01 0.03 -0.00 0.05 0.12 0.03 -0.03 -0.12 0.00 -0.02 0.01 -0.07 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 0.02 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.01 0.02 0.00 0.02 -0.00 -0.00 -0.00 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.02 0.11 -0.10 -0.04 0.00 -0.00 0.00 -0.15 -0.02 0.02 0.01 0.18 0.03 -0.00 0.00 -0.00 0.09 0.10 0.00 -0.15 -0.11 0.00 0.10 -0.11 -0.04 0.00 0.00 0.01 0.01 0.02 0.01 0.01 -0.02 0.02 0.00 -0.02 -0.01 0.01 0.02 0.01 -0.02 -0.01 -0.01 -0.01 0.02 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.02 -0.01 0.02 0.03 -0.01 -0.01 -0.01 0.01 -0.00 -0.26 0.11 0.06 0.22 0.50 0.06 -0.28 0.59 0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 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 -0.00 0.00 -0.00 0.01 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.15 0.20 0.12 -0.10 0.19 -0.16 0.41 -0.12 0.45 0.52 -0.14 -0.28 -0.18 0.24 -0.03 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 -0.03 -0.03 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 0.01 0.01 0.00 -0.02 -0.02 0.01 -0.02 -0.02 -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.02 -0.01 -0.03 0.03 -0.02 -0.02 -0.03 0.25 0.32 -0.23 0.33 -0.16 -0.03 -0.22 0.22 0.13 0.33 -0.15 0.16 0.15 0.34 0.31 -0.15 0.20 -0.23 -0.02 0.03 -0.01 -0.01 0.00 -0.00 0.00 -0.06 -0.00 -0.04 -0.02 -0.04 -0.03 0.03 -0.01 -0.01 0.01 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.02 0.00 0.01 0.01 -0.01 0.00 -0.03 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.02 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.02 0.00 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.05 -0.04 -0.00 0.01 -0.00 -0.01 -0.03 -0.03 0.11 0.09 0.00 -0.00 0.00 0.00 0.04 -0.11 -0.03 -0.09 0.05 0.02 -0.00 -0.00 0.00 -0.12 0.01 0.02 -0.01 -0.09 -0.02 0.05 0.06 0.00 0.03 0.02 0.02 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.04 0.05 -0.04 0.06 -0.02 -0.00 -0.03 0.03 0.03 0.06 -0.02 0.03 0.02 0.05 0.06 -0.02 0.03 -0.04 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.02 0.57 0.03 0.36 0.15 0.42 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 0.38 0.02 -0.06 0.18 0.19 0.01 0.13 -0.06 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.04 0.00 0.02 -0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.12 -0.01 0.59 0.39 -0.10 0.09 -0.41 0.17 -0.01 -0.14 -0.18 0.05 -0.07 0.10 0.04 0.14 -0.16 0.01 -0.02 -0.12 0.07 0.14 0.20 0.04 -0.17 0.20 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -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 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.04 -0.06 -0.03 -0.00 0.01 -0.00 0.02 0.04 0.03 -0.08 -0.06 -0.00 -0.01 0.01 -0.00 -0.03 0.07 0.02 0.06 -0.03 -0.01 -0.00 -0.00 -0.00 0.08 0.00 -0.01 0.01 0.06 0.01 -0.03 -0.05 -0.00 -0.01 -0.04 -0.03 -0.01 -0.01 -0.01 -0.01 0.02 -0.02 -0.00 0.02 0.01 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.01 0.00 0.01 0.01 -0.00 0.01 -0.01 0.02 -0.03 0.01 0.03 -0.01 0.01 0.02 0.64 -0.01 0.47 0.17 0.42 0.02 -0.03 0.00 0.07 -0.03 -0.04 0.05 -0.02 0.06 0.02 -0.01 0.02 0.03 -0.00 -0.01 -0.01 0.01 -0.01 -0.25 -0.01 0.04 -0.11 -0.12 -0.00 -0.09 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 0.02 -0.02 0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.01 -0.02 0.01 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.03 -0.00 -0.02 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.06 0.03 -0.01 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 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.10 -0.16 -0.06 -0.05 0.23 -0.19 -0.05 0.22 0.15 0.07 0.12 0.07 -0.11 -0.10 -0.07 -0.09 0.14 -0.14 -0.12 -0.08 0.02 0.07 0.08 -0.06 -0.10 0.11 0.09 0.05 -0.08 0.01 0.08 -0.01 0.01 -0.00 -0.07 0.00 -0.05 -0.02 -0.05 0.03 -0.05 0.01 0.43 -0.13 -0.24 0.32 -0.11 0.37 0.12 -0.03 0.12 0.15 -0.03 -0.08 -0.06 0.07 -0.01 0.02 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 -0.01 -0.00 -0.00 -0.00 0.00 -0.03 0.03 -0.01 0.01 -0.03 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.01 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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -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 0.13 0.21 0.06 0.05 -0.28 0.23 0.07 -0.28 -0.19 -0.08 -0.13 -0.13 0.19 0.12 0.10 0.10 -0.18 0.21 0.21 0.10 -0.02 -0.10 -0.09 0.12 0.13 -0.15 -0.15 0.01 0.01 -0.00 0.04 0.00 0.01 -0.00 -0.03 0.00 -0.02 -0.01 -0.02 0.01 -0.02 0.00 0.33 -0.09 -0.18 0.25 -0.08 0.28 0.09 -0.02 0.09 0.11 -0.03 -0.06 -0.05 0.06 -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 0.03 0.02 0.01 0.00 -0.00 -0.00 -0.04 0.01 -0.01 0.10 -0.08 0.02 -0.03 0.01 -0.01 0.14 -0.06 0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 0.15 -0.01 -0.12 -0.10 -0.02 -0.08 -0.04 -0.01 0.00 0.01 0.01 -0.05 0.14 -0.01 -0.01 -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 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.01 0.00 -0.00 -0.01 -0.03 0.02 -0.02 -0.02 0.02 0.01 0.01 0.01 -0.07 0.08 -0.01 0.01 -0.01 -0.00 0.06 0.09 -0.00 0.02 -0.02 0.01 0.08 0.02 -0.01 -0.06 0.29 -0.45 0.07 0.40 -0.08 0.08 -0.00 -0.07 0.00 -0.04 -0.02 -0.06 0.25 -0.40 0.05 -0.24 -0.01 0.10 -0.19 -0.02 -0.18 -0.03 0.02 -0.04 -0.04 0.02 0.02 0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.00 0.00 0.02 0.01 -0.02 0.04 0.04 0.01 -0.22 -0.25 -0.03 -0.02 -0.04 -0.00 0.19 0.33 0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.06 0.18 0.00 -0.23 -0.14 -0.03 0.26 0.11 0.04 0.00 0.00 0.01 -0.06 -0.23 -0.00 -0.04 -0.01 0.03 0.00 0.02 0.00 0.01 0.03 0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 0.02 -0.02 -0.01 0.19 -0.07 0.02 0.03 0.02 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.04 -0.03 0.01 -0.00 0.01 -0.02 -0.04 -0.03 0.01 -0.01 0.00 -0.00 -0.05 -0.00 -0.01 0.05 0.22 -0.10 0.04 -0.44 0.16 -0.09 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.29 0.15 -0.05 -0.10 -0.07 0.03 -0.09 -0.07 -0.06 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.00 0.02 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.04 0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.01 0.03 0.00 0.00 0.00 -0.01 -0.02 -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 0.01 0.00 -0.02 -0.01 -0.00 0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.04 0.04 -0.03 0.14 -0.28 -0.08 0.00 0.00 0.00 -0.02 0.23 0.05 -0.20 0.12 0.06 0.00 -0.00 0.00 0.19 -0.16 -0.06 0.06 -0.22 -0.05 -0.21 0.36 0.10 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 -0.00 -0.00 0.00 0.02 -0.01 0.00 -0.03 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.02 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 -0.18 -0.20 -0.01 0.24 0.01 -0.04 0.26 -0.49 -0.13 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.01 0.00 -0.01 -0.00 0.00 0.02 -0.01 0.00 -0.15 0.13 -0.03 -0.02 0.02 -0.01 0.17 -0.16 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.19 -0.24 0.04 -0.27 0.11 -0.05 0.27 -0.10 0.05 -0.00 0.00 0.01 -0.21 0.27 -0.05 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.04 0.02 -0.01 -0.02 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.04 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.02 0.01 -0.03 -0.01 0.01 0.00 -0.15 0.40 -0.04 -0.33 -0.08 -0.06 0.01 -0.03 -0.00 -0.01 -0.00 -0.04 0.15 -0.42 0.04 0.04 0.00 -0.03 0.03 0.01 0.04 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.02 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.10 0.00 -0.10 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.09 0.03 0.14 -0.21 -0.16 -0.00 -0.00 -0.00 -0.00 0.27 0.28 0.01 0.36 0.12 -0.04 0.00 0.00 0.00 -0.32 -0.10 0.03 -0.26 -0.25 -0.01 0.13 0.09 -0.00 -0.08 -0.04 -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 -0.01 0.02 -0.00 0.01 -0.01 0.00 0.04 0.02 -0.03 0.05 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 0.32 -0.11 -0.07 0.11 0.36 0.05 0.16 0.08 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.03 0.01 0.04 0.00 0.00 0.00 -0.34 -0.01 0.34 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.02 -0.00 -0.01 0.03 0.04 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.02 -0.02 -0.00 0.01 0.01 0.00 0.02 -0.01 -0.04 -0.00 -0.02 0.00 0.55 0.05 -0.46 -0.24 -0.06 0.04 -0.00 0.00 0.00 0.11 0.05 -0.01 0.12 -0.01 -0.02 0.00 -0.00 -0.00 -0.09 -0.01 0.01 -0.05 -0.02 0.00 0.04 -0.01 -0.01 0.23 0.09 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 0.02 -0.02 0.00 -0.02 0.01 -0.00 -0.13 -0.04 0.08 -0.11 -0.02 0.07 -0.03 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.10 -0.01 -0.02 -0.01 0.05 0.01 0.02 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.06 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 -0.00 -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 0.25 -0.14 0.61 0.47 -0.18 -0.53 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.08 -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 -0.00 -0.00 -0.00 0.00 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 0.00 -0.01 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.04 -0.01 0.01 -0.04 -0.05 -0.01 -0.04 0.06 0.43 -0.29 0.09 0.06 0.26 -0.39 -0.30 -0.23 -0.05 0.06 -0.21 -0.27 -0.32 0.21 -0.06 0.21 0.16 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 0.02 0.00 -0.01 0.01 0.01 -0.00 0.02 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.29 0.23 -0.06 0.05 -0.24 -0.32 -0.07 -0.22 0.32 0.19 -0.13 0.04 0.03 0.12 -0.18 -0.13 -0.10 -0.02 -0.06 0.23 0.30 0.34 -0.23 0.06 -0.23 -0.18 -0.04 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 -0.01 -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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.02 -0.01 -0.01 0.01 0.02 -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.30 -0.23 0.06 -0.05 0.26 0.35 0.08 0.23 -0.35 0.25 -0.17 0.05 0.03 0.15 -0.23 -0.17 -0.14 -0.03 -0.05 0.18 0.24 0.28 -0.18 0.05 -0.18 -0.14 -0.03 -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 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.03 0.01 0.03 0.39 -0.13 -0.43 0.23 -0.12 0.52 -0.45 -0.30 -0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.09 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.28 -0.16 0.63 -0.43 0.17 0.46 0.12 -0.04 -0.12 -0.07 0.04 -0.16 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 0.03 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.11 -0.39 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 0.21 -0.03 0.25 -0.20 0.70 -0.14 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.04 -0.05 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 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.06 0.08 -0.01 -0.05 0.07 -0.40 0.26 -0.07 0.07 0.24 -0.37 -0.09 -0.09 -0.01 0.07 -0.28 -0.39 0.43 -0.28 0.09 0.08 0.08 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 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 0.00 -0.03 0.04 -0.04 -0.04 0.03 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.30 0.23 -0.06 -0.01 0.10 0.15 0.04 0.09 -0.14 0.38 -0.25 0.07 -0.06 -0.24 0.37 0.07 0.07 0.00 0.06 -0.24 -0.33 0.35 -0.23 0.08 0.04 0.05 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.04 -0.05 -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 0.04 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 -0.15 -0.53 0.58 0.02 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.20 0.03 -0.24 0.13 -0.48 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 -0.01 -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 -0.05 0.06 0.03 -0.01 0.02 -0.02 -0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.51 -0.39 0.11 0.05 -0.37 -0.50 -0.00 0.03 -0.02 0.14 -0.09 0.02 -0.03 -0.10 0.16 -0.03 -0.02 -0.01 0.03 -0.13 -0.18 0.20 -0.13 0.04 0.03 0.03 0.01 0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -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 -0.01 0.03 -0.08 -0.02 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 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.28 -0.21 0.04 -0.05 0.28 0.34 -0.15 -0.44 0.63 0.14 -0.10 0.03 -0.02 -0.07 0.10 0.07 0.06 0.01 0.01 -0.04 -0.06 0.02 -0.02 0.01 -0.05 -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.06 -0.05 0.02 0.03 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 0.01 -0.00 0.00 0.01 -0.05 -0.06 0.01 0.04 -0.06 0.14 -0.11 0.03 0.04 0.21 -0.33 0.59 0.47 0.11 0.04 -0.12 -0.17 -0.06 0.05 -0.01 -0.31 -0.24 -0.04 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 0.01 -0.06 -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 0.03 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.02 0.10 -0.08 0.02 0.02 0.09 -0.15 0.31 0.25 0.06 -0.07 0.20 0.28 0.17 -0.13 0.03 0.61 0.48 0.08 -0.00 -0.00 -0.00 -0.00 -0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.09 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.07 -0.03 -0.07 0.37 -0.14 -0.41 0.05 -0.04 0.15 0.64 0.45 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -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 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 0.17 -0.10 0.04 0.11 -0.36 0.13 0.37 0.31 -0.17 0.69 0.20 0.14 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 -0.06 0.04 -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 -0.01 -0.04 0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.57 -0.06 0.69 0.11 -0.41 0.07 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 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 -0.00 0.00 0.00 0.04 0.03 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.02 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.02 0.02 0.00 -0.00 -0.00 -0.00 0.05 0.79 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.53 -0.29 -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 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.03 -0.01 -0.01 -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 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.33 -0.06 -0.29 0.18 0.08 0.75 0.42 -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 -0.05 0.00 0.00 0.00 0.00 -0.06 -0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.02 0.01 0.00 0.03 0.60 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.68 0.38 0.11 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.02 0.01 0.00 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 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.05 -0.03 -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 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.65 0.12 -0.62 0.38 0.17 -0.04 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.04 0.03 0.01 -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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.66 0.12 0.46 -0.29 -0.13 0.42 0.24 -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 -0.07 -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 0.01 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 0.86 0.48 0.14 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 -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 9 9 8 8 7 6 6 6 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 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 9 9 8 8 7 6 6 6 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 18.99840 18.99840 15.99491 15.99491 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 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 359.16969 0.99999 -0.00224 0.00246 0.00225 0.99998 -0.00651 -0.00244 0.00652 0.99998 asymmetric 1 0.01601 0.00494 0.00394 0.33360 0.10297 0.08211 1046102.4 25.42 30.91 36.62 52.14 82.77 101.13 114.07 124.32 135.54 142.77 194.04 240.64 276.96 284.04 323.16 349.08 350.02 355.39 380.47 394.74 402.53 425.71 435.67 473.84 497.85 521.28 536.90 550.87 574.05 598.87 648.89 673.13 696.12 727.95 749.74 775.62 807.74 824.03 858.89 870.21 898.02 952.99 972.30 1015.32 1060.87 1089.31 1099.13 1125.13 1147.36 1174.92 1180.86 1217.29 1224.84 1258.19 1286.62 1301.59 1311.86 1343.35 1356.74 1359.60 1394.14 1397.07 1412.15 1420.33 1428.61 1436.15 1467.67 1506.08 1508.34 1512.54 1515.58 1539.06 1583.22 1618.79 1627.06 1662.39 1686.45 1690.65 1745.86 1755.40 1760.60 1762.39 1788.28 1794.95 1819.23 1826.86 1851.76 1881.11 1889.58 1890.85 1908.41 1918.32 1960.01 1982.07 2010.18 2012.95 2014.44 2051.47 2053.46 2064.51 2114.99 2124.14 2130.58 2134.19 2134.61 2136.59 2150.34 2153.89 2158.01 2165.16 2170.03 2172.11 2207.48 2308.42 2320.70 2362.73 2386.35 2449.48 4335.10 4337.05 4338.84 4349.61 4359.26 4393.68 4413.88 4426.16 4427.70 4429.10 4438.24 4439.17 4448.11 4452.60 4460.52 4463.09 4526.10 4570.69 4592.42 4592.61 4614.30 4621.97 4655.05 0.398439 0.422957 0.423901 0.342052 -1218.958745 -1218.934227 -1218.933283 -1219.015132 265.409 94.371 172.266 0.000 0.000 0.000 0.889 2.981 43.529 0.889 2.981 35.987 263.632 88.410 92.749 1 0.593 1.986 6.880 2 0.593 1.985 6.492 3 0.593 1.985 6.156 4 0.594 1.982 5.455 5 0.596 1.974 4.540 6 0.598 1.968 4.145 7 0.600 1.963 3.909 8 0.601 1.959 3.740 9 0.603 1.953 3.571 10 0.604 1.950 3.469 11 0.613 1.919 2.876 12 0.624 1.883 2.466 13 0.634 1.850 2.204 14 0.637 1.843 2.157 15 0.649 1.804 1.922 16 0.659 1.775 1.784 17 0.659 1.774 1.779 18 0.661 1.768 1.752 19 0.671 1.738 1.632 20 0.677 1.721 1.569 21 0.680 1.711 1.535 22 0.690 1.681 1.440 23 0.694 1.668 1.401 24 0.712 1.617 1.263 25 0.724 1.583 1.184 26 0.736 1.550 1.112 27 0.745 1.527 1.067 28 0.752 1.507 1.028 29 0.765 1.472 0.966 30 0.779 1.435 0.905 31 0.810 1.359 0.793 32 0.825 1.321 0.744 33 0.840 1.286 0.700 34 0.861 1.237 0.643 35 0.876 1.203 0.607 36 0.894 1.164 0.567 37 0.917 1.115 0.521 38 0.929 1.090 0.499 39 0.955 1.038 0.455 40 0.963 1.022 0.441 0.863725e+26 25.936375 59.720711 0.197545e+11 10.295666 23.706647 0.100000e+01 0.000000 0.000000 0.267549e+09 8.427403 19.404813 0.163420e+08 7.213306 16.609251 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.0876 0.5886 1.6275 2.0441 -109.0106 -138.0942 -162.6802 20.6175 0.2843 -1.2984 27.5844 -1.4992 -26.0852 20.6175 0.2843 -1.2984 -203.7271 32.9309 8.3635 7.0710 -55.4590 14.8161 0.6698 15.1462 -1.2599 2.2862 -10615.0932 -3646.7198 -574.7124 579.0121 -85.6744 234.0354 23.3691 -19.8303 16.2496 -2465.7769 -2323.2376 -752.0960 -15.6586 23.3357 13.7050 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1219.3571842 2.354E-9 1.6E-5 0.3984394 0.4229567 -1218.9342275 -1218.9332833 -1219.0151323 20.2708009,-0.849416,-19.421385,15.4820019,-0.7795276,0.4560657 C01 [X(C21H23F2N1O2)] -0.4228565 -0.2199268 0.6477413 -1.2410082 0.549042 -0.2580395 0.5298203 -0.6462512 0.1871144 -0.2453464 0.1744223 -0.2205719 -0.321507 -0.0142756 -0.0230591 0.0715397 -1.5859856 0.2961763 -0.0397278 0.2592212 -0.2204156 -1.0198402 -0.5122726 0.1413241 -0.3808076 -0.856748 0.4975202 -0.3243218 0.4073721 -1.1287597 -0.8518252 -0.4779343 0.0597287 -0.517203 -2.5444644 0.0400627 0.0752205 0.0860343 -0.3619575 -1.2431535 -0.0999043 -0.2338742 -0.2424508 -0.6491412 -0.0053215 -0.2814225 0.1017794 -0.9172887 0.3208951 -0.0349808 -0.0105602 0.0686035 0.1424393 -0.0143023 -0.0233427 0.0094497 0.2289976 0.3516098 -0.2037267 -0.0936486 0.0085794 0.267371 0.0118085 -0.0851492 0.0329322 -0.1392125 0.711443 -0.045099 -0.0012064 0.204931 0.3430362 0.087979 -0.1330758 0.0736939 0.3142348 -0.0171045 -0.3847769 -0.0130068 -0.132048 -0.4378767 -0.0495704 0.0582583 0.0970801 -0.1491825 -0.0158044 -0.0321046 0.0146509 -0.0197092 0.0189656 0.0077457 0.018588 0.0052084 0.0804934 0.0021239 0.0501386 0.0098288 0.0015841 0.0511823 0.0571745 0.0757258 -0.00351 0.0193469 -0.021536 0.0408045 -0.0064182 -0.019213 0.0527397 -0.0511022 -0.0545249 -0.018264 0.0384101 -0.2233248 0.3503221 -0.0105108 -0.1043306 -0.4722615 0.0020358 -0.0119794 -0.0587971 -0.2220517 0.1491032 0.0052121 -0.0219501 0.3078911 2.1421066 0.0225774 0.0177973 -0.0185681 0.1367784 -0.4776595 0.1824766 0.026815 0.0019835 -0.1027383 -0.0011701 0.0424468 -0.0316994 -0.2187723 0.5625658 0.2889519 -0.0805311 0.2222256 0.5393019 0.0426881 0.1584936 0.074 0.1973018 0.050142 -0.084716 -0.0578589 -0.1726892 0.2469892 0.0416808 -0.0705492 0.0160863 -0.1412328 1.5382069 0.6188506 0.1910055 0.5719133 0.8509168 -0.5199868 0.3727103 -0.5920967 1.5506343 -0.4669679 -0.0895479 -0.0212182 -0.065413 -0.3585265 0.0889549 0.011967 0.1152573 -0.0972228 0.8374642 0.6898866 -0.0440298 0.3832919 0.9715536 -0.0494154 -0.0656032 -0.1251862 0.4536822 1.4298483 -0.5216321 0.2872137 -0.2591731 0.887393 -0.1845649 0.1568229 -0.2612388 0.2110525 0.6952392 0.1723945 0.0345607 -0.1627245 1.6944288 -0.3389906 0.1853722 -0.2341059 0.2221265 0.0874418 -0.0163428 0.0023877 -0.0315739 -0.115453 0.0056691 0.0079294 0.0060815 0.1202873 -0.5227815 0.1545146 -0.0825775 -0.1473685 -0.0936208 -0.0410627 -0.0062953 0.012811 -0.182044 -0.2156833 -0.3227415 0.0591645 -0.0298753 -0.4124698 0.0442764 -0.013219 -0.0084661 -0.1853992 0.1556445 -0.0889864 0.0688061 -0.0988854 0.2901448 -0.1111483 0.0727594 -0.1084829 -0.1165365 -0.0595227 0.0281458 -0.0420828 -0.0104989 -0.0257693 -0.0952365 0.0075844 -0.0954288 0.0039622 -0.1455979 0.1193201 0.0427746 0.1687446 -0.0267187 -0.0312957 0.0451593 -0.0222299 0.090964 0.0563878 0.0042709 -0.0422463 -0.026725 -0.0339559 0.1340547 -0.0180773 0.153297 -0.1007956 0.0555348 -0.0525078 -0.0181818 -0.0766913 -0.0342273 -0.115836 -0.0450562 -0.1457589 -0.1025622 -0.1551292 0.1858558 0.0103124 0.1852877 -0.0439266 0.010722 0.0169649 0.0047616 0.0621882 0.0875953 -0.011402 -0.0361208 -0.0313501 -0.0177498 -0.1419744 -0.0402405 -0.0836159 -0.1438941 -0.0738709 -0.1515059 0.0439396 -0.1304152 -0.026845 0.0617476 0.0136091 0.0337733 0.0442673 0.0839844 0.0193289 -0.0501774 0.0222449 -0.0191631 0.1428244 -0.0470273 0.0834063 -0.1399418 -0.1388163 0.1721454 0.0631451 0.1688119 -0.042468 -0.0706322 0.0564455 -0.0676661 0.049323 -0.0749974 -0.1520433 0.002827 -0.1456629 -0.0252932 -0.0129473 0.0311594 0.021137 0.0476391 0.0182989 -0.1052795 0.0231347 -0.0750256 0.0981579 0.0172572 0.0319315 0.022446 0.1863906 0.1032812 -0.0121803 0.0098044 0.0176306 -0.1202484 -0.0012027 0.017267 -0.000824 0.1780405 0.0114466 -0.0506301 0.0925845 -0.0187002 0.0622285 -0.0404702 0.125747 0.0017347 -0.0166547 -0.0301534 0.0736681 0.0209359 0.0430871 -0.1788986 0.0094607 -0.0438275 -0.0300262 0.0884825 0.0348919 -0.0850563 0.0337124 -0.1070182 0.0787379 -0.0026372 0.0285479 0.0114404 0.1546109 -0.0327762 -0.0991472 0.052859 0.0292856 -0.0365541 -0.0933885 0.124602 -0.0272339 -0.1313469 -0.1014536 -0.0873649 -0.0740236 0.0563029 -0.0366129 0.0742188 -0.1340255 0.0599198 -0.0630109 -0.0212968 0.091278 -0.1215897 0.0282236 0.0372364 0.0064329 -0.1318895 0.0387404 -0.0421752 0.058249 0.0727546 0.0863859 0.0236049 0.0353266 -0.016681 0.0942855 -0.0699145 -0.1146947 -0.0817262 -0.1205521 0.0332104 -0.089066 -0.0379513 0.0139694 0.0330223 0.0213652 0.1052256 0.1112787 0.007804 -0.0172929 0.0073229 0.0090443 0.042641 -0.0122438 0.0398159 0.1991023 0.0436781 0.0512045 -0.0375076 0.0435904 0.0796794 0.0339723 -0.0377809 0.0285915 0.1981643 -0.0028177 -0.0716594 -0.0133991 -0.0718823 0.0829394 0.0081721 -0.0156919 0.0112546 0.1740174 425.7087582|7.5627855|387.8473637|5.3688416|-13.8658933|248.6388044 -0.000000982 0.000006884 -0.000000414 0.000000780 -0.000011898 0.000002530 0.000029687 0.000026244 -0.000028798 0.000032094 0.000041608 -0.000015062 0.000005058 -0.000036648 0.000076491 0.000012242 -0.000002713 0.000010592 -0.000019395 0.000017540 -0.000004299 0.000041163 0.000028375 0.000003295 -0.000013065 -0.000021309 -0.000005588 0.000022607 0.000015008 0.000001338 0.000004870 -0.000014683 0.000017754 -0.000006668 -0.000020466 -0.000025608 0.000024998 -0.000014001 -0.000007995 -0.000010820 -0.000004631 0.000004020 0.000003326 -0.000009945 0.000006623 -0.000022428 0.000010739 -0.000042492 0.000000527 0.000001730 0.000006061 -0.000049142 -0.000001223 -0.000031906 0.000000273 -0.000026562 0.000011254 -0.000053452 -0.000035819 0.000010186 0.000028044 -0.000004432 0.000007147 0.000001676 0.000036365 -0.000013572 0.000008427 0.000036128 -0.000004546 -0.000021449 0.000003240 -0.000001123 -0.000008027 -0.000012957 0.000005198 0.000004464 -0.000003297 0.000001313 -0.000003989 -0.000002760 -0.000002614 -0.000001493 -0.000005213 0.000000421 -0.000005468 -0.000002776 -0.000001669 -0.000006426 -0.000001022 0.000004029 0.000001622 0.000003392 -0.000003798 -0.000000984 0.000008845 0.000000630 -0.000003989 0.000003756 -0.000000616 -0.000000397 0.000004527 0.000004868 0.000005839 0.000001578 0.000006947 -0.000002077 0.000002309 0.000012209 -0.000007692 0.000004812 0.000000771 0.000004269 0.000001113 0.000002936 0.000000186 -0.000009683 0.000003660 -0.000002509 -0.000002266 0.000005643 -0.000004884 0.000006265 0.000001587 0.000009020 0.000001659 -0.000010032 0.000010386 0.000001168 -0.000000355 -0.000007275 -0.000007914 -0.000006265 -0.000005429 -0.000005678 -0.000001403 0.000001686 -0.000003688 -0.000006749 0.000005681 -0.000002837 0.000005329 -0.000000014 0.000002769 -0.000001055 -0.000000870 -0.000001633 0.000003126 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.4292,2.2802,-.6306;4.6708,-1.7124,.5378;1.9129,-1.2378,.9982;-2.2025,-2.4431,-.2169;1.3745,-.4675,-1.0625;-4.6791,1.8932,.2537;-3.4082,1.0591,.0174;.2103,-1.2747,-.6414;-1.0295,-.427,-.4325;-5.9256,1.0208,.4803;-4.9352,2.7899,-.9782;-4.4812,2.7841,1.5004;-3.4264,-.3424,.0063;-2.2563,-1.0746,-.2116;-2.1815,1.6986,-.1964;.7,-1.9764,.6537;-1.0164,.9647,-.4156;2.2058,-.4908,-.1006;3.4836,.2437,-.0493;-3.4066,-3.2033,-.0047;3.5654,1.6102,-.3289;4.6879,-.382,.2826;-3.0284,-4.6679,-.0613;4.7516,2.3216,-.2863;5.9003,.2812,.3341;5.9225,1.6446,.047;.0012,-2.0195,-1.4109;-6.7956,1.6634,.6436;-5.8198,.3791,1.3601;-6.142,.3867,-.3845;-5.8382,3.3906,-.8276;-5.076,2.1841,-1.8787;-4.1038,3.4755,-1.16;-4.292,2.1742,2.3892;-5.3794,3.3828,1.6838;-3.6408,3.4717,1.3781;-4.3518,-.8722,.1695;-2.1227,2.7804,-.1946;.0117,-1.8998,1.4926;.982,-3.0176,.4873;-.0789,1.4824,-.5806;-3.8334,-2.9448,.9708;-4.1369,-2.9535,-.7824;-2.2983,-4.9103,.7156;-2.6012,-4.9215,-1.0352;-3.9181,-5.2839,.0968;4.7452,3.3814,-.5065;6.7987,-.2668,.5879;6.861,2.1842,.0828; Gaussian 16 23-Aug-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C21H23F2NO2)] 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 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.4292,2.2802,-.6306;4.6708,-1.7124,.5378;1.9129,-1.2378,.9982;-2.2025,-2.4431,-.2169;1.3745,-.4675,-1.0625;-4.6791,1.8932,.2537;-3.4082,1.0591,.0174;.2103,-1.2747,-.6414;-1.0295,-.427,-.4325;-5.9256,1.0208,.4803;-4.9352,2.7899,-.9782;-4.4812,2.7841,1.5004;-3.4264,-.3424,.0063;-2.2563,-1.0746,-.2116;-2.1815,1.6986,-.1964;.7,-1.9764,.6537;-1.0164,.9647,-.4156;2.2058,-.4908,-.1006;3.4836,.2437,-.0493;-3.4066,-3.2033,-.0047;3.5654,1.6102,-.3289;4.6879,-.382,.2826;-3.0284,-4.6679,-.0613;4.7516,2.3216,-.2863;5.9003,.2812,.3341;5.9225,1.6446,.047;.0012,-2.0195,-1.4109;-6.7956,1.6634,.6436;-5.8198,.3791,1.3601;-6.142,.3867,-.3845;-5.8382,3.3906,-.8276;-5.076,2.1841,-1.8787;-4.1038,3.4755,-1.16;-4.292,2.1742,2.3892;-5.3794,3.3828,1.6838;-3.6408,3.4717,1.3781;-4.3518,-.8722,.1695;-2.1227,2.7804,-.1946;.0117,-1.8998,1.4926;.982,-3.0176,.4873;-.0789,1.4824,-.5806;-3.8334,-2.9448,.9708;-4.1369,-2.9535,-.7824;-2.2983,-4.9103,.7156;-2.6012,-4.9215,-1.0352;-3.9181,-5.2839,.0968;4.7452,3.3814,-.5065;6.7987,-.2668,.5879;6.861,2.1842,.0828; oldchk=opt-b3lyp-pople.chk #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 Etoxazole CONF6 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 48 49 19 19 16 16 14 12 12 12 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 18.9984033 18.9984033 15.9949146 15.9949146 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 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 1 0 0 2 0 0 0 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 6.7500000 6.7500000 5.6000000 5.6000000 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 736 A 710 A 710 1120 736 95 95 2310.2267736652 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0506976639 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.725600 0.000000 3.911049 2.836086 0.000000 6.628259 6.953124 4.457091 0.000000 2.974763 3.869900 2.264853 4.172873 0.000000 7.173541 10.025068 7.335646 5.015863 6.629629 0.000000 5.998836 8.556955 5.878001 3.711286 5.135246 1.538498 0.000000 4.190576 4.634464 2.363992 2.714240 1.477876 5.894327 4.355869 0.000000 4.396726 5.923464 3.370740 2.342435 2.485559 4.378782 2.840541 1.516365 0.000000 8.521938 10.943413 8.173847 5.132903 7.608396 1.538269 2.559956 6.646599 5.186640 0.000000 7.390183 10.716548 8.186859 5.952456 7.101462 1.545055 2.513752 6.565856 5.089274 2.497563 0.000000 7.249024 10.242271 7.570469 5.955304 7.171538 1.545016 2.515252 6.562864 5.095216 2.497255 2.519805 0.000000 6.447618 8.229417 5.503894 2.441405 4.920011 2.574646 1.401658 3.809721 2.438140 2.886089 3.613534 3.622198 0.000000 5.777922 6.996653 4.344219 1.369579 3.778274 3.859337 2.435504 2.511755 1.404681 4.281768 4.764311 4.771875 1.397350 0.000000 4.667478 7.689461 5.178145 4.141784 4.252933 2.545294 1.399794 3.841728 2.429165 3.864689 3.063510 3.057131 2.399283 2.774219 0.000000 4.770652 3.981295 1.461307 3.065961 2.382667 6.638424 5.147406 1.552293 2.563522 7.274078 7.558856 7.086902 4.485038 3.209605 4.746704 0.000000 3.694465 6.357732 3.928222 3.613819 2.861204 3.837357 2.432455 2.563351 1.391909 4.990607 4.359415 4.357275 2.773914 2.395372 1.394260 3.569320 0.000000 2.830119 2.824199 1.360598 4.822671 1.271515 7.294598 5.825176 2.211083 3.252929 8.291130 7.907418 7.616055 5.635136 4.501498 4.904182 2.245810 3.549741 0.000000 2.365808 2.362342 2.399910 6.291199 2.445539 8.333225 6.940163 3.656589 4.578768 9.456130 8.844332 8.502545 6.935021 5.891601 5.850784 3.629355 4.572134 1.474788 0.000000 8.032333 8.231772 5.759013 1.439766 5.609178 5.259381 4.262455 4.148187 3.679902 4.942093 6.261274 6.266569 2.860990 2.428508 5.056335 4.336226 4.822333 6.234293 7.704533 0.000000 1.353133 3.607331 3.550118 7.050582 3.107267 8.269926 7.003897 4.435852 5.027363 9.543703 8.606605 8.335005 7.267062 6.412038 5.749120 4.694721 4.627895 2.512951 1.397168 8.478485 0.000000 3.608732 1.354786 2.990839 7.209352 3.576961 9.639365 8.227544 4.658223 5.762094 10.707623 10.210467 9.776436 8.119014 6.996084 7.193479 4.310838 5.902543 2.513812 1.397101 8.576900 2.366986 0.000000 8.853618 8.268734 6.107751 2.378262 6.166947 6.772941 5.740086 4.726522 4.703047 6.406958 7.752155 7.751299 4.344267 3.678413 6.423997 4.653613 5.991702 6.696773 8.156656 1.513679 9.108508 8.833359 0.000000 2.348148 4.118101 4.730490 8.430098 4.448182 9.455851 8.262440 5.803650 6.402923 10.783453 9.722753 9.415431 8.605909 7.787822 6.961606 5.981000 5.926872 3.798040 2.445681 9.857014 1.383802 2.763509 10.460987 0.000000 4.120098 2.351091 4.318327 8.566251 4.795152 10.701797 9.346258 5.978973 7.007949 11.849927 11.199251 10.742428 9.353216 8.286482 8.222254 5.678248 6.990718 3.799229 2.447178 9.943613 2.767199 1.382919 10.216251 2.422285 0.000000 3.614714 3.616189 5.028891 9.099111 5.135726 10.606499 9.349032 6.451704 7.269897 11.872419 10.965928 10.566312 9.557743 8.622811 8.107795 6.383914 6.987446 4.288961 2.814173 10.513651 2.387085 2.384677 10.953418 1.392970 1.393431 0.000000 4.999196 5.069217 3.173217 2.541898 2.101430 6.323430 4.810553 1.091158 2.134439 6.924427 6.905510 7.186263 4.070543 2.725342 4.479218 2.180063 3.306345 2.985633 4.370737 3.871966 5.200870 5.245377 4.244274 6.532694 6.567902 7.114224 0.000000 9.332814 11.953481 9.185869 6.220961 8.614101 2.164375 3.497452 7.704951 6.226991 1.093799 2.713040 2.710495 3.972566 5.369658 4.690096 8.332583 5.916854 9.285472 10.399913 5.965772 10.406717 11.669790 7.400940 11.603281 12.774665 12.732087 7.998839 0.000000 8.696128 10.728590 7.908165 4.851453 7.638294 2.194940 2.842701 6.565275 5.177792 1.094098 3.473040 2.756019 2.842832 4.157141 4.171412 6.968107 5.154444 8.203677 9.410518 4.529894 9.615100 10.590117 5.940092 10.873710 11.765288 11.883005 6.878627 1.764904 0.000000 8.781313 11.053221 8.332578 4.853415 7.595234 2.194756 2.843837 6.570999 5.177053 1.093960 2.753957 3.472558 2.838861 4.154999 4.176357 7.312649 5.158160 8.398603 9.632514 4.529360 9.784374 10.877578 5.945438 11.064529 12.064166 12.137534 6.677011 1.764664 1.774101 0.000000 8.343975 11.761981 9.210571 6.900938 8.183149 2.180523 3.472043 7.640920 6.152520 2.708078 1.094949 2.761993 4.521922 5.757359 4.078342 8.587591 5.413320 8.961025 9.869393 7.075967 9.583678 11.236680 8.568614 10.657396 12.198775 11.921716 7.981741 2.462550 3.722216 3.051492 0.000000 7.608904 10.771404 8.296428 5.694703 7.021906 2.188424 2.764536 6.437337 5.028290 2.764004 1.094412 3.483082 3.557832 4.620518 3.382923 7.555480 4.484168 7.958764 8.965444 5.943347 8.798055 10.324216 7.378735 9.956753 11.357678 11.178833 6.608155 3.096788 3.781626 2.568943 1.772367 0.000000 6.662539 10.333980 7.941895 6.287619 6.750518 2.198407 2.776579 6.437754 5.020971 3.469118 1.092788 2.774513 4.049186 5.001608 2.789507 7.489295 4.048460 7.527647 8.321495 6.813781 7.936466 9.708505 8.287256 8.972938 10.607457 10.263329 6.863632 3.712476 4.345426 3.781002 1.768002 1.768987 0.000000 7.369151 9.943056 7.216407 5.698894 7.141563 2.188403 2.765869 6.430373 5.037015 2.764611 3.483106 1.094439 3.572225 4.632793 3.371283 6.720050 4.478727 7.451340 8.374531 5.952532 8.333352 9.571267 7.376746 9.432171 10.568294 10.492906 7.103466 3.094553 2.572085 3.782996 3.770661 4.339296 3.784889 0.000000 8.218649 11.326106 8.660080 6.902637 8.245147 2.180429 3.473080 7.638268 6.157464 2.706577 2.763114 1.094903 4.528297 5.763197 4.074091 8.169514 5.412025 8.701965 9.560880 7.079539 9.338250 10.839125 8.566584 10.375185 11.775943 11.551313 8.228775 2.458451 3.052984 3.719630 2.552913 3.770922 3.118118 1.772226 0.000000 6.503744 9.831742 7.291548 6.292688 6.828407 2.198636 2.779661 6.437172 5.029577 3.468949 2.773500 1.092735 4.059007 5.011270 2.784321 7.003504 4.048388 7.215990 7.950728 6.820815 7.635972 9.242134 8.288592 8.632754 10.114383 9.826777 7.155134 3.709822 3.783217 4.345127 3.114523 3.784748 2.579958 1.769184 1.767563 0.000000 7.520628 9.069100 6.329787 2.690078 5.871303 2.786009 2.154831 4.651053 3.405586 2.481358 3.881862 3.893157 1.078741 2.139460 3.384221 5.193637 3.852455 6.574223 7.917495 2.521492 8.312210 9.053626 4.026423 9.658133 10.318056 10.578721 4.771017 3.553330 2.266754 2.257592 4.623291 3.749769 4.553189 3.769751 4.631822 4.564629 0.000000 4.599961 8.177590 5.818450 5.224181 4.851055 2.742897 2.158838 4.699575 3.396919 4.244322 2.919661 2.904417 3.390029 3.857364 1.083443 5.595938 2.137587 5.426361 6.155175 6.122913 5.808758 7.524071 7.504389 6.890160 8.419807 8.128504 5.387905 4.877192 4.674611 4.681983 3.818162 3.451679 2.310881 3.427737 3.807567 2.292559 4.294558 0.000000 5.274970 4.759594 2.072939 2.849647 3.230654 6.158411 4.756767 2.232560 2.638048 6.693821 7.250560 6.490441 4.056458 2.954531 4.539985 1.087788 3.592252 3.055765 4.361945 3.952992 5.316682 5.063031 4.395387 6.591758 6.385478 7.041984 2.905974 7.730264 6.262385 6.827892 8.221513 7.343661 7.271051 5.993613 7.550285 6.496724 4.674042 5.413597 0.000000 5.604597 3.913262 2.072518 3.311628 3.009779 7.497908 6.009428 2.215257 3.406364 8.001499 8.419498 8.033216 5.178918 3.840592 5.719907 1.091445 4.546210 2.868473 4.145195 4.419990 5.362563 4.552145 4.371231 6.581455 5.924148 6.807224 2.358224 9.078917 7.652654 7.943577 9.450319 8.327974 8.410668 7.641103 9.102943 8.017140 5.757832 6.612173 1.789249 0.000000 2.632453 5.832475 3.722828 4.477881 2.479340 4.693213 3.408891 2.772869 2.138084 5.960058 5.044883 5.040295 3.857432 3.378652 2.148265 3.754174 1.083540 3.056807 3.808986 5.775936 3.655273 5.190704 6.840726 4.911713 6.166898 6.036311 3.599911 6.829723 6.159591 6.164387 6.072181 5.210409 4.528561 5.200733 6.069067 4.525501 4.935994 2.451644 3.968111 4.745115 0.000000 8.311746 8.603902 5.994484 2.078956 6.114976 4.963452 4.137680 4.662594 4.021173 4.510459 6.156245 5.789709 2.804985 2.717124 5.064756 4.646431 5.014150 6.606170 8.046466 1.095665 8.785168 8.924845 2.163878 10.149705 10.274067 10.820901 4.607855 5.487891 3.891746 4.273805 6.884035 5.997419 6.770019 5.331641 6.552613 6.432319 2.281733 6.087906 4.018579 4.840093 6.008533 0.000000 8.398158 8.992171 6.535602 2.078988 6.052632 4.985832 4.155898 4.662266 4.020147 4.537555 5.801965 6.184687 2.818636 2.718983 5.080258 5.139301 5.022420 6.838110 8.296520 1.095700 8.964314 9.253290 2.165149 10.347865 10.604488 11.091493 4.288509 5.515242 4.304507 3.916114 6.568394 5.336569 6.440168 6.031310 6.911915 6.796886 2.298755 6.105795 4.847375 5.274387 6.015420 1.779273 0.000000 8.710082 7.669849 5.594737 2.639298 6.032358 7.222848 6.111659 4.620884 4.798732 6.956373 8.313580 8.036483 4.758239 3.946406 6.672524 4.195348 6.118745 6.362789 7.783308 2.158915 8.831262 8.336639 1.093379 10.149139 9.711548 10.535387 4.262205 7.965170 6.387009 6.636460 9.155138 8.048399 8.780616 7.547561 8.899751 8.514655 4.563021 7.746382 3.873343 3.794018 6.890023 2.506937 3.074661 0.000000 8.793941 8.102751 6.170995 2.640250 5.970306 7.240131 6.125854 4.621573 4.799358 6.975664 8.057093 8.327086 4.767956 3.949164 6.686178 4.735338 6.127238 6.603902 8.042162 2.159341 9.010477 8.687563 1.093301 10.348253 10.060716 10.813732 3.915985 7.985740 6.647801 6.413883 8.922531 7.571374 8.531274 8.058185 9.169099 8.794932 4.573051 7.762405 4.727331 4.333807 6.897703 3.074030 2.509034 1.776911 0.000000 9.901203 9.312339 7.154298 3.333448 7.249355 7.219076 6.363918 5.801968 5.675697 6.627740 8.208335 8.208565 4.966692 4.535971 7.201168 5.707552 6.908543 7.779144 9.239147 2.144911 10.183963 9.905858 1.093620 11.539240 11.288390 12.035082 5.318859 7.539471 6.105909 6.110096 8.932382 7.811167 8.851037 7.811436 8.931152 8.853242 4.433566 8.266914 5.370655 5.412894 7.809038 2.498509 2.500301 1.773800 1.773998 0.000000 2.567457 5.200333 5.623494 9.070810 5.146370 9.571311 8.493833 6.500966 6.917876 10.973277 9.709898 9.460997 8.994699 8.304459 7.134927 6.812997 6.248591 4.648395 3.412588 10.491106 2.135579 3.845696 11.199071 1.082516 3.413546 2.170046 7.245243 11.724544 11.140767 11.292217 10.588292 9.988634 8.873624 9.566232 10.358809 8.595578 10.065061 6.901150 7.368458 7.489820 5.184983 10.760821 10.913267 10.947939 11.098975 12.268047 0.000000 5.202409 2.572986 4.998269 9.295484 5.673268 11.684086 10.308438 6.777473 7.896087 12.789793 12.226243 11.720797 10.241885 9.126065 9.226166 6.334192 7.974982 4.649634 3.414183 10.635951 3.849420 2.135940 10.787201 3.413908 1.082568 2.171129 7.298858 13.730793 12.658586 12.993650 13.231493 12.373394 11.658723 11.498106 12.760376 11.116820 11.174757 9.459860 7.039075 6.435184 7.192178 10.970845 11.343899 10.214405 10.614083 11.843265 4.327190 0.000000 4.489915 4.493044 6.085401 10.180824 6.200411 11.545058 10.330850 7.531277 8.327338 12.845622 11.859319 11.446180 10.593394 9.686685 9.059853 7.456230 7.986847 5.372179 3.897391 11.595591 3.370467 3.368647 12.032164 2.145887 2.146495 1.083219 8.182873 13.678071 12.872150 13.134990 12.788872 12.097147 11.110374 11.388963 12.402732 10.659397 11.622221 9.007721 8.098123 7.860378 7.006837 11.893898 12.169597 11.602816 11.885873 13.113441 2.501511 2.503271 0.000000 C21H23F2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6069,-2.272,-.5671;-4.8123,1.7634,.5202;-2.0556,1.2786,.9773;2.0621,2.4243,-.2864;-1.534,.457,-1.0677;4.5087,-1.9188,.2716;3.2428,-1.0806,.0226;-.3616,1.2647,-.6714;.873,.4127,-.4493;5.7629,-1.0509,.4716;4.7515,-2.8456,-.9405;4.3107,-2.7792,1.5395;3.2714,.3201,-.0209;2.1057,1.0559,-.2497;2.0103,-1.7156,-.1701;-.8391,1.9999,.6097;.8496,-.9781,-.4003;-2.36,.5087,-.1024;-3.6429,-.2147,-.0277;3.273,3.18,-.0979;-3.7365,-1.5866,-.2752;-4.8407,.4277,.2959;2.9055,4.6457,-.1864;-4.9277,-2.2878,-.2101;-6.0578,-.2249,.3689;-6.0917,-1.5943,.1135;-.151,1.99,-1.4589;6.6289,-1.6961,.6453;5.6665,-.3883,1.3369;5.9794,-.4385,-.4087;5.6508,-3.4494,-.7807;4.8921,-2.2617,-1.8555;3.9141,-3.5288,-1.1022;4.1308,-2.1475,2.415;5.2054,-3.3802,1.7321;3.4645,-3.463,1.4374;4.2016,.8464,.1253;1.9433,-2.7966,-.143;-.147,1.9374,1.4466;-1.1142,3.039,.4207;-.0926,-1.4923,-.5484;3.703,2.9408,.881;3.9973,2.9068,-.8734;2.1813,4.9115,.5884;2.475,4.88,-1.1637;3.8006,5.2584,-.0472;-4.9304,-3.3524,-.4058;-6.9507,.3356,.6146;-7.034,-2.1258,.1666; 0.3336022 0.1029712 0.0821069 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= 710 RedAO= T EigKep= 1.17D-06 NBF= 710 NBsUse= 704 1.00D-06 EigRej= 8.64D-07 NBFU= 704 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= 724 724 724 724 724 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1219.35718424005 -1219.35718424 1 1.214324706088e+03 -7.469825280888e+03 2.725968183370e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323523334 LenY= 11322980902 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. PT489.300S 2024-08-23T11:52:53.000 -24.70618 -24.70534 -19.16791 -19.15313 -14.30697 -10.28364 -10.28337 -10.28107 -10.23276 -10.22515 -10.22149 -10.21652 -10.21271 -10.20044 -10.19183 -10.19161 -10.18496 -10.17905 -10.17636 -10.16895 -10.16648 -10.16055 -10.15896 -10.15030 -10.15017 -10.15003 -1.24571 -1.24498 -1.09897 -1.06574 -0.92049 -0.89066 -0.86120 -0.82106 -0.80354 -0.77411 -0.77133 -0.76273 -0.73524 -0.71972 -0.68029 -0.67914 -0.66082 -0.65345 -0.64252 -0.63984 -0.59975 -0.59354 -0.58224 -0.56767 -0.55311 -0.54323 -0.52600 -0.51451 -0.50694 -0.50178 -0.49466 -0.48896 -0.48236 -0.48031 -0.47807 -0.47419 -0.45453 -0.45050 -0.43814 -0.43450 -0.43079 -0.42205 -0.42005 -0.40882 -0.40429 -0.40003 -0.39585 -0.38924 -0.38739 -0.38123 -0.37910 -0.37459 -0.37250 -0.36991 -0.36766 -0.35985 -0.35735 -0.34945 -0.34538 -0.33019 -0.31722 -0.31505 -0.31269 -0.29488 -0.28106 -0.26580 -0.25970 -0.24835 -0.22113 -0.05137 -0.02283 -0.00994 -0.00141 0.00277 0.01024 0.01389 0.01686 0.01852 0.02740 0.03000 0.03039 0.03283 0.03881 0.04098 0.04622 0.04859 0.05257 0.05671 0.05933 0.06134 0.06255 0.06660 0.06813 0.07078 0.07537 0.07885 0.08430 0.08604 0.08857 0.09187 0.09332 0.09835 0.10213 0.10370 0.10755 0.10972 0.11240 0.11666 0.12109 0.12248 0.12462 0.12695 0.13000 0.13331 0.13454 0.13767 0.14035 0.14389 0.14606 0.14744 0.15056 0.15590 0.15912 0.16033 0.16469 0.16627 0.16766 0.17219 0.17517 0.17581 0.17834 0.18321 0.18530 0.18636 0.19346 0.19386 0.19593 0.19829 0.20120 0.20371 0.20440 0.20598 0.20872 0.21059 0.21275 0.21444 0.21965 0.21980 0.22311 0.22457 0.22659 0.22988 0.23347 0.23504 0.23884 0.24016 0.24214 0.24339 0.24566 0.25139 0.25170 0.25361 0.25636 0.25741 0.25975 0.26341 0.26712 0.26962 0.27152 0.27544 0.27637 0.28063 0.28314 0.28765 0.28920 0.28931 0.29221 0.29778 0.29935 0.30175 0.30566 0.31039 0.31610 0.32008 0.32124 0.32634 0.32855 0.33391 0.33698 0.34094 0.34123 0.34468 0.35082 0.35375 0.35641 0.36002 0.36029 0.36545 0.36996 0.37286 0.37546 0.38250 0.38410 0.38932 0.39584 0.40100 0.40558 0.41030 0.41459 0.41756 0.42020 0.42123 0.42751 0.42987 0.44235 0.44567 0.45415 0.46046 0.47439 0.47750 0.47993 0.48606 0.48899 0.49988 0.50273 0.50882 0.51657 0.51853 0.52656 0.52843 0.53216 0.53671 0.54465 0.54816 0.55199 0.55684 0.56104 0.56491 0.56603 0.57378 0.57813 0.58382 0.59298 0.59740 0.60278 0.60433 0.61033 0.61508 0.61610 0.62062 0.62314 0.62575 0.63236 0.64141 0.64597 0.64797 0.65441 0.65663 0.66373 0.66616 0.66826 0.67249 0.68174 0.68286 0.69087 0.69382 0.69667 0.70004 0.70319 0.70763 0.71061 0.71586 0.71629 0.72193 0.72463 0.72985 0.73294 0.73556 0.73853 0.74203 0.74467 0.74821 0.75712 0.76053 0.76590 0.77014 0.77480 0.78409 0.78531 0.79422 0.79528 0.79942 0.80804 0.81360 0.81979 0.82536 0.82641 0.84062 0.84168 0.84633 0.85844 0.86367 0.86731 0.87469 0.88903 0.90088 0.91570 0.92287 0.92776 0.93946 0.94621 0.94838 0.95547 0.97081 0.97321 0.97875 0.98884 0.99879 1.00533 1.00877 1.01251 1.01853 1.02122 1.03398 1.04623 1.05028 1.05944 1.07021 1.08042 1.08337 1.08519 1.10129 1.10533 1.11104 1.12007 1.12520 1.12831 1.14374 1.15228 1.16071 1.16469 1.18175 1.18929 1.20193 1.21598 1.22127 1.22567 1.23396 1.25005 1.25595 1.27091 1.28357 1.29450 1.29794 1.30286 1.32037 1.32499 1.32946 1.35941 1.39610 1.39806 1.40845 1.42958 1.43518 1.43887 1.44500 1.45094 1.45349 1.45912 1.46500 1.46896 1.47007 1.47130 1.47771 1.48426 1.49194 1.50163 1.50946 1.52011 1.52882 1.53167 1.53361 1.53529 1.53691 1.54920 1.55848 1.56347 1.56974 1.57454 1.57812 1.57885 1.58211 1.58591 1.59047 1.59296 1.60213 1.60698 1.60952 1.61786 1.62188 1.62620 1.64041 1.64905 1.65451 1.65689 1.65847 1.66686 1.66880 1.67520 1.68921 1.69234 1.69490 1.70635 1.70939 1.71317 1.72579 1.73163 1.74250 1.74454 1.75632 1.76373 1.77256 1.78105 1.78299 1.78588 1.79007 1.79784 1.81264 1.83089 1.83854 1.84480 1.85262 1.85670 1.86151 1.86865 1.88226 1.88553 1.88978 1.90221 1.90553 1.90661 1.92342 1.93304 1.93938 1.94266 1.95143 1.95975 1.96405 1.96805 1.97635 1.97885 1.99368 2.00157 2.00791 2.01661 2.01836 2.03432 2.04237 2.04660 2.05927 2.06602 2.07453 2.08532 2.10759 2.11595 2.12731 2.12995 2.14051 2.14812 2.14991 2.16758 2.17809 2.17898 2.20048 2.21441 2.21702 2.22344 2.23145 2.25168 2.25620 2.25960 2.26944 2.29222 2.29631 2.31307 2.32595 2.33149 2.36002 2.36779 2.37564 2.38787 2.40628 2.41628 2.43848 2.44785 2.45610 2.46449 2.47290 2.48933 2.49105 2.49893 2.51428 2.53045 2.53323 2.53450 2.53764 2.54086 2.55624 2.55897 2.56717 2.57358 2.57762 2.58165 2.59542 2.59948 2.60817 2.62217 2.62815 2.64369 2.64513 2.65876 2.66004 2.67386 2.67549 2.68209 2.68911 2.69311 2.69614 2.71955 2.72614 2.73959 2.74344 2.75252 2.75671 2.76343 2.76796 2.76979 2.77233 2.78504 2.78690 2.80153 2.80433 2.81048 2.82451 2.83781 2.85421 2.85708 2.86430 2.87076 2.88296 2.88956 2.89419 2.90226 2.91938 2.94788 2.96028 2.96921 2.98143 2.99110 2.99653 3.02688 3.03261 3.06440 3.06736 3.07912 3.08864 3.09259 3.11359 3.12068 3.12958 3.14037 3.16798 3.17503 3.18046 3.20065 3.20369 3.21677 3.22063 3.24469 3.26126 3.27901 3.29078 3.31427 3.32059 3.34262 3.37958 3.39509 3.41790 3.44268 3.47659 3.52919 3.55547 3.60930 3.62264 3.63081 3.63768 3.66200 3.74363 3.78005 3.78145 3.78232 3.79288 3.79400 3.79590 3.81206 3.81710 3.82104 3.82267 3.83080 3.85196 3.86614 3.87028 3.88033 3.88884 3.95831 3.96710 3.97169 4.02614 4.04059 4.07151 4.10504 4.10834 4.11770 4.12730 4.13155 4.14711 4.20048 4.24597 4.25895 4.28887 4.30450 4.32626 4.36033 4.45620 4.58695 4.81969 4.87378 4.88324 4.89203 4.97208 5.07366 5.09492 5.44693 5.46614 5.71244 5.81839 6.31903 6.34095 6.47520 6.48889 6.72746 6.79915 23.52141 23.62523 23.82710 23.82840 23.85910 23.87243 23.89563 23.93032 23.94443 23.96025 23.97909 23.98008 23.99035 23.99097 24.00732 24.04188 24.07321 24.07984 24.10724 24.17231 24.19678 35.66237 49.93894 49.99755 66.79311 66.81078 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 F F O O N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.159861 -0.175316 -0.048668 -0.149154 -0.026818 0.381062 0.453301 0.239332 0.358427 -0.558170 -0.624082 -0.619480 -0.316531 -0.027073 -0.561507 -0.188127 -0.542891 0.337107 0.940282 0.107890 -1.288729 -0.239469 -0.694894 -0.199932 0.116431 -0.298533 0.200852 0.160710 0.149977 0.150097 0.148946 0.147677 0.152597 0.147882 0.148786 0.151502 0.168480 0.141872 0.196934 0.194769 0.169206 0.172550 0.169742 0.155662 0.159233 0.163928 0.174978 0.175969 0.183054 -0.00000 1.0876 0.5886 1.6275 2.0441 -109.0106 -138.0942 -162.6802 20.6175 0.2843 -1.2984 27.5844 -1.4992 -26.0852 20.6175 0.2843 -1.2984 -203.7271 32.9308 8.3635 7.0710 -55.4590 14.8162 0.6698 15.1462 -1.2599 2.2862 -10615.0927 -3646.7198 -574.7124 579.0120 -85.6744 234.0352 23.3691 -19.8303 16.2496 -2465.7768 -2323.2375 -752.0960 -15.6586 23.3357 13.7050 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GANDULLAS ALCAMI 2024-08-23T00:00:00.000 0 Wavefunction Etoxazole CONF6 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1219.3571842 RMSD=2.737e-09 Dipole=-0.4228552,-0.2199281,0.6477411 Quadrupole=20.270797,-0.8494144,-19.4213825,15.482008,-0.7795271,0.456067 PG=C01 [X(C21H23F2N1O2)] 0 2.4291953639 2.2802452582 -0.6306028225 0 4.6707932007 -1.7124062634 0.5378457749 0 1.9128613261 -1.2377989749 0.9982210174 0 -2.2025109031 -2.4431003368 -0.2169422676 0 1.3745180766 -0.4675460505 -1.0624718566 0 -4.6791027886 1.893241487 0.2537102298 0 -3.4081681204 1.0590578768 0.0174102372 0 0.2103018485 -1.2746561473 -0.6414107973 0 -1.0295282933 -0.4269985598 -0.432456141 0 -5.9256377927 1.0208401433 0.4802906362 0 -4.9351923956 2.7899395592 -0.9781770678 0 -4.481182993 2.7841455017 1.5003823919 0 -3.4263663369 -0.3424384095 0.0063432298 0 -2.2563041229 -1.0745881848 -0.2115986464 0 -2.1814965072 1.6985798403 -0.1963915638 0 0.6999529694 -1.976439081 0.6537168711 0 -1.0164284833 0.9647467262 -0.415632241 0 2.2058003078 -0.4908155144 -0.1006099178 0 3.4836134711 0.2437352816 -0.0493302184 0 -3.406634694 -3.2033394272 -0.004696265 0 3.5654153498 1.6101931995 -0.3289340586 0 4.6878512466 -0.3819960837 0.2825755944 0 -3.0284225894 -4.6679118105 -0.0613368155 0 4.7515945798 2.3215785641 -0.2862860653 0 5.9002792748 0.281201384 0.3340770765 0 5.9224652957 1.644554866 0.046979685 0 0.0011988855 -2.0195175926 -1.4108802302 0 -6.7956200425 1.6633728109 0.6436253269 0 -5.8197763524 0.3791248234 1.3600895954 0 -6.142005618 0.3867310123 -0.3844860072 0 -5.8382298733 3.3905641537 -0.8275538052 0 -5.0760375651 2.1841186617 -1.878666689 0 -4.1038408654 3.4754937601 -1.1599881699 0 -4.2919643604 2.1742188321 2.389192035 0 -5.3794049013 3.3827909045 1.6837768713 0 -3.6407533917 3.4717395391 1.3780659063 0 -4.3517882371 -0.8721930694 0.1695485106 0 -2.1226586769 2.7804226171 -0.194606234 0 0.0117121675 -1.8998332177 1.4926088952 0 0.9819571705 -3.0176094418 0.4873158819 0 -0.0789460113 1.4824142675 -0.5805738285 0 -3.8333808841 -2.9447797773 0.9707611479 0 -4.1369149457 -2.9535107372 -0.7824080739 0 -2.2983189952 -4.9102891712 0.7156308365 0 -2.6011966172 -4.9214779392 -1.0352412883 0 -3.9181263982 -5.2838985959 0.0967553169 0 4.7451908383 3.3814314792 -0.5065405135 0 6.798714018 -0.266825587 0.5879174549 0 6.8610236827 2.1841708235 0.0828447068 Gaussian 16 23-Aug-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C21H23F2NO2)] 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 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.4292,2.2802,-.6306;4.6708,-1.7124,.5378;1.9129,-1.2378,.9982;-2.2025,-2.4431,-.2169;1.3745,-.4675,-1.0625;-4.6791,1.8932,.2537;-3.4082,1.0591,.0174;.2103,-1.2747,-.6414;-1.0295,-.427,-.4325;-5.9256,1.0208,.4803;-4.9352,2.7899,-.9782;-4.4812,2.7841,1.5004;-3.4264,-.3424,.0063;-2.2563,-1.0746,-.2116;-2.1815,1.6986,-.1964;.7,-1.9764,.6537;-1.0164,.9647,-.4156;2.2058,-.4908,-.1006;3.4836,.2437,-.0493;-3.4066,-3.2033,-.0047;3.5654,1.6102,-.3289;4.6879,-.382,.2826;-3.0284,-4.6679,-.0613;4.7516,2.3216,-.2863;5.9003,.2812,.3341;5.9225,1.6446,.047;.0012,-2.0195,-1.4109;-6.7956,1.6634,.6436;-5.8198,.3791,1.3601;-6.142,.3867,-.3845;-5.8382,3.3906,-.8276;-5.076,2.1841,-1.8787;-4.1038,3.4755,-1.16;-4.292,2.1742,2.3892;-5.3794,3.3828,1.6838;-3.6408,3.4717,1.3781;-4.3518,-.8722,.1695;-2.1227,2.7804,-.1946;.0117,-1.8998,1.4926;.982,-3.0176,.4873;-.0789,1.4824,-.5806;-3.8334,-2.9448,.9708;-4.1369,-2.9535,-.7824;-2.2983,-4.9103,.7156;-2.6012,-4.9215,-1.0352;-3.9181,-5.2839,.0968;4.7452,3.3814,-.5065;6.7987,-.2668,.5879;6.861,2.1842,.0828; oldchk=opt-b3lyp-pople.chk #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 Etoxazole CONF6 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 48 49 19 19 16 16 14 12 12 12 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 18.9984033 18.9984033 15.9949146 15.9949146 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 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 1 0 0 2 0 0 0 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 6.7500000 6.7500000 5.6000000 5.6000000 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 736 A 710 A 710 1120 736 95 95 2310.2267736652 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0506976639 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.725600 0.000000 3.911049 2.836086 0.000000 6.628259 6.953124 4.457091 0.000000 2.974763 3.869900 2.264853 4.172873 0.000000 7.173541 10.025068 7.335646 5.015863 6.629629 0.000000 5.998836 8.556955 5.878001 3.711286 5.135246 1.538498 0.000000 4.190576 4.634464 2.363992 2.714240 1.477876 5.894327 4.355869 0.000000 4.396726 5.923464 3.370740 2.342435 2.485559 4.378782 2.840541 1.516365 0.000000 8.521938 10.943413 8.173847 5.132903 7.608396 1.538269 2.559956 6.646599 5.186640 0.000000 7.390183 10.716548 8.186859 5.952456 7.101462 1.545055 2.513752 6.565856 5.089274 2.497563 0.000000 7.249024 10.242271 7.570469 5.955304 7.171538 1.545016 2.515252 6.562864 5.095216 2.497255 2.519805 0.000000 6.447618 8.229417 5.503894 2.441405 4.920011 2.574646 1.401658 3.809721 2.438140 2.886089 3.613534 3.622198 0.000000 5.777922 6.996653 4.344219 1.369579 3.778274 3.859337 2.435504 2.511755 1.404681 4.281768 4.764311 4.771875 1.397350 0.000000 4.667478 7.689461 5.178145 4.141784 4.252933 2.545294 1.399794 3.841728 2.429165 3.864689 3.063510 3.057131 2.399283 2.774219 0.000000 4.770652 3.981295 1.461307 3.065961 2.382667 6.638424 5.147406 1.552293 2.563522 7.274078 7.558856 7.086902 4.485038 3.209605 4.746704 0.000000 3.694465 6.357732 3.928222 3.613819 2.861204 3.837357 2.432455 2.563351 1.391909 4.990607 4.359415 4.357275 2.773914 2.395372 1.394260 3.569320 0.000000 2.830119 2.824199 1.360598 4.822671 1.271515 7.294598 5.825176 2.211083 3.252929 8.291130 7.907418 7.616055 5.635136 4.501498 4.904182 2.245810 3.549741 0.000000 2.365808 2.362342 2.399910 6.291199 2.445539 8.333225 6.940163 3.656589 4.578768 9.456130 8.844332 8.502545 6.935021 5.891601 5.850784 3.629355 4.572134 1.474788 0.000000 8.032333 8.231772 5.759013 1.439766 5.609178 5.259381 4.262455 4.148187 3.679902 4.942093 6.261274 6.266569 2.860990 2.428508 5.056335 4.336226 4.822333 6.234293 7.704533 0.000000 1.353133 3.607331 3.550118 7.050582 3.107267 8.269926 7.003897 4.435852 5.027363 9.543703 8.606605 8.335005 7.267062 6.412038 5.749120 4.694721 4.627895 2.512951 1.397168 8.478485 0.000000 3.608732 1.354786 2.990839 7.209352 3.576961 9.639365 8.227544 4.658223 5.762094 10.707623 10.210467 9.776436 8.119014 6.996084 7.193479 4.310838 5.902543 2.513812 1.397101 8.576900 2.366986 0.000000 8.853618 8.268734 6.107751 2.378262 6.166947 6.772941 5.740086 4.726522 4.703047 6.406958 7.752155 7.751299 4.344267 3.678413 6.423997 4.653613 5.991702 6.696773 8.156656 1.513679 9.108508 8.833359 0.000000 2.348148 4.118101 4.730490 8.430098 4.448182 9.455851 8.262440 5.803650 6.402923 10.783453 9.722753 9.415431 8.605909 7.787822 6.961606 5.981000 5.926872 3.798040 2.445681 9.857014 1.383802 2.763509 10.460987 0.000000 4.120098 2.351091 4.318327 8.566251 4.795152 10.701797 9.346258 5.978973 7.007949 11.849927 11.199251 10.742428 9.353216 8.286482 8.222254 5.678248 6.990718 3.799229 2.447178 9.943613 2.767199 1.382919 10.216251 2.422285 0.000000 3.614714 3.616189 5.028891 9.099111 5.135726 10.606499 9.349032 6.451704 7.269897 11.872419 10.965928 10.566312 9.557743 8.622811 8.107795 6.383914 6.987446 4.288961 2.814173 10.513651 2.387085 2.384677 10.953418 1.392970 1.393431 0.000000 4.999196 5.069217 3.173217 2.541898 2.101430 6.323430 4.810553 1.091158 2.134439 6.924427 6.905510 7.186263 4.070543 2.725342 4.479218 2.180063 3.306345 2.985633 4.370737 3.871966 5.200870 5.245377 4.244274 6.532694 6.567902 7.114224 0.000000 9.332814 11.953481 9.185869 6.220961 8.614101 2.164375 3.497452 7.704951 6.226991 1.093799 2.713040 2.710495 3.972566 5.369658 4.690096 8.332583 5.916854 9.285472 10.399913 5.965772 10.406717 11.669790 7.400940 11.603281 12.774665 12.732087 7.998839 0.000000 8.696128 10.728590 7.908165 4.851453 7.638294 2.194940 2.842701 6.565275 5.177792 1.094098 3.473040 2.756019 2.842832 4.157141 4.171412 6.968107 5.154444 8.203677 9.410518 4.529894 9.615100 10.590117 5.940092 10.873710 11.765288 11.883005 6.878627 1.764904 0.000000 8.781313 11.053221 8.332578 4.853415 7.595234 2.194756 2.843837 6.570999 5.177053 1.093960 2.753957 3.472558 2.838861 4.154999 4.176357 7.312649 5.158160 8.398603 9.632514 4.529360 9.784374 10.877578 5.945438 11.064529 12.064166 12.137534 6.677011 1.764664 1.774101 0.000000 8.343975 11.761981 9.210571 6.900938 8.183149 2.180523 3.472043 7.640920 6.152520 2.708078 1.094949 2.761993 4.521922 5.757359 4.078342 8.587591 5.413320 8.961025 9.869393 7.075967 9.583678 11.236680 8.568614 10.657396 12.198775 11.921716 7.981741 2.462550 3.722216 3.051492 0.000000 7.608904 10.771404 8.296428 5.694703 7.021906 2.188424 2.764536 6.437337 5.028290 2.764004 1.094412 3.483082 3.557832 4.620518 3.382923 7.555480 4.484168 7.958764 8.965444 5.943347 8.798055 10.324216 7.378735 9.956753 11.357678 11.178833 6.608155 3.096788 3.781626 2.568943 1.772367 0.000000 6.662539 10.333980 7.941895 6.287619 6.750518 2.198407 2.776579 6.437754 5.020971 3.469118 1.092788 2.774513 4.049186 5.001608 2.789507 7.489295 4.048460 7.527647 8.321495 6.813781 7.936466 9.708505 8.287256 8.972938 10.607457 10.263329 6.863632 3.712476 4.345426 3.781002 1.768002 1.768987 0.000000 7.369151 9.943056 7.216407 5.698894 7.141563 2.188403 2.765869 6.430373 5.037015 2.764611 3.483106 1.094439 3.572225 4.632793 3.371283 6.720050 4.478727 7.451340 8.374531 5.952532 8.333352 9.571267 7.376746 9.432171 10.568294 10.492906 7.103466 3.094553 2.572085 3.782996 3.770661 4.339296 3.784889 0.000000 8.218649 11.326106 8.660080 6.902637 8.245147 2.180429 3.473080 7.638268 6.157464 2.706577 2.763114 1.094903 4.528297 5.763197 4.074091 8.169514 5.412025 8.701965 9.560880 7.079539 9.338250 10.839125 8.566584 10.375185 11.775943 11.551313 8.228775 2.458451 3.052984 3.719630 2.552913 3.770922 3.118118 1.772226 0.000000 6.503744 9.831742 7.291548 6.292688 6.828407 2.198636 2.779661 6.437172 5.029577 3.468949 2.773500 1.092735 4.059007 5.011270 2.784321 7.003504 4.048388 7.215990 7.950728 6.820815 7.635972 9.242134 8.288592 8.632754 10.114383 9.826777 7.155134 3.709822 3.783217 4.345127 3.114523 3.784748 2.579958 1.769184 1.767563 0.000000 7.520628 9.069100 6.329787 2.690078 5.871303 2.786009 2.154831 4.651053 3.405586 2.481358 3.881862 3.893157 1.078741 2.139460 3.384221 5.193637 3.852455 6.574223 7.917495 2.521492 8.312210 9.053626 4.026423 9.658133 10.318056 10.578721 4.771017 3.553330 2.266754 2.257592 4.623291 3.749769 4.553189 3.769751 4.631822 4.564629 0.000000 4.599961 8.177590 5.818450 5.224181 4.851055 2.742897 2.158838 4.699575 3.396919 4.244322 2.919661 2.904417 3.390029 3.857364 1.083443 5.595938 2.137587 5.426361 6.155175 6.122913 5.808758 7.524071 7.504389 6.890160 8.419807 8.128504 5.387905 4.877192 4.674611 4.681983 3.818162 3.451679 2.310881 3.427737 3.807567 2.292559 4.294558 0.000000 5.274970 4.759594 2.072939 2.849647 3.230654 6.158411 4.756767 2.232560 2.638048 6.693821 7.250560 6.490441 4.056458 2.954531 4.539985 1.087788 3.592252 3.055765 4.361945 3.952992 5.316682 5.063031 4.395387 6.591758 6.385478 7.041984 2.905974 7.730264 6.262385 6.827892 8.221513 7.343661 7.271051 5.993613 7.550285 6.496724 4.674042 5.413597 0.000000 5.604597 3.913262 2.072518 3.311628 3.009779 7.497908 6.009428 2.215257 3.406364 8.001499 8.419498 8.033216 5.178918 3.840592 5.719907 1.091445 4.546210 2.868473 4.145195 4.419990 5.362563 4.552145 4.371231 6.581455 5.924148 6.807224 2.358224 9.078917 7.652654 7.943577 9.450319 8.327974 8.410668 7.641103 9.102943 8.017140 5.757832 6.612173 1.789249 0.000000 2.632453 5.832475 3.722828 4.477881 2.479340 4.693213 3.408891 2.772869 2.138084 5.960058 5.044883 5.040295 3.857432 3.378652 2.148265 3.754174 1.083540 3.056807 3.808986 5.775936 3.655273 5.190704 6.840726 4.911713 6.166898 6.036311 3.599911 6.829723 6.159591 6.164387 6.072181 5.210409 4.528561 5.200733 6.069067 4.525501 4.935994 2.451644 3.968111 4.745115 0.000000 8.311746 8.603902 5.994484 2.078956 6.114976 4.963452 4.137680 4.662594 4.021173 4.510459 6.156245 5.789709 2.804985 2.717124 5.064756 4.646431 5.014150 6.606170 8.046466 1.095665 8.785168 8.924845 2.163878 10.149705 10.274067 10.820901 4.607855 5.487891 3.891746 4.273805 6.884035 5.997419 6.770019 5.331641 6.552613 6.432319 2.281733 6.087906 4.018579 4.840093 6.008533 0.000000 8.398158 8.992171 6.535602 2.078988 6.052632 4.985832 4.155898 4.662266 4.020147 4.537555 5.801965 6.184687 2.818636 2.718983 5.080258 5.139301 5.022420 6.838110 8.296520 1.095700 8.964314 9.253290 2.165149 10.347865 10.604488 11.091493 4.288509 5.515242 4.304507 3.916114 6.568394 5.336569 6.440168 6.031310 6.911915 6.796886 2.298755 6.105795 4.847375 5.274387 6.015420 1.779273 0.000000 8.710082 7.669849 5.594737 2.639298 6.032358 7.222848 6.111659 4.620884 4.798732 6.956373 8.313580 8.036483 4.758239 3.946406 6.672524 4.195348 6.118745 6.362789 7.783308 2.158915 8.831262 8.336639 1.093379 10.149139 9.711548 10.535387 4.262205 7.965170 6.387009 6.636460 9.155138 8.048399 8.780616 7.547561 8.899751 8.514655 4.563021 7.746382 3.873343 3.794018 6.890023 2.506937 3.074661 0.000000 8.793941 8.102751 6.170995 2.640250 5.970306 7.240131 6.125854 4.621573 4.799358 6.975664 8.057093 8.327086 4.767956 3.949164 6.686178 4.735338 6.127238 6.603902 8.042162 2.159341 9.010477 8.687563 1.093301 10.348253 10.060716 10.813732 3.915985 7.985740 6.647801 6.413883 8.922531 7.571374 8.531274 8.058185 9.169099 8.794932 4.573051 7.762405 4.727331 4.333807 6.897703 3.074030 2.509034 1.776911 0.000000 9.901203 9.312339 7.154298 3.333448 7.249355 7.219076 6.363918 5.801968 5.675697 6.627740 8.208335 8.208565 4.966692 4.535971 7.201168 5.707552 6.908543 7.779144 9.239147 2.144911 10.183963 9.905858 1.093620 11.539240 11.288390 12.035082 5.318859 7.539471 6.105909 6.110096 8.932382 7.811167 8.851037 7.811436 8.931152 8.853242 4.433566 8.266914 5.370655 5.412894 7.809038 2.498509 2.500301 1.773800 1.773998 0.000000 2.567457 5.200333 5.623494 9.070810 5.146370 9.571311 8.493833 6.500966 6.917876 10.973277 9.709898 9.460997 8.994699 8.304459 7.134927 6.812997 6.248591 4.648395 3.412588 10.491106 2.135579 3.845696 11.199071 1.082516 3.413546 2.170046 7.245243 11.724544 11.140767 11.292217 10.588292 9.988634 8.873624 9.566232 10.358809 8.595578 10.065061 6.901150 7.368458 7.489820 5.184983 10.760821 10.913267 10.947939 11.098975 12.268047 0.000000 5.202409 2.572986 4.998269 9.295484 5.673268 11.684086 10.308438 6.777473 7.896087 12.789793 12.226243 11.720797 10.241885 9.126065 9.226166 6.334192 7.974982 4.649634 3.414183 10.635951 3.849420 2.135940 10.787201 3.413908 1.082568 2.171129 7.298858 13.730793 12.658586 12.993650 13.231493 12.373394 11.658723 11.498106 12.760376 11.116820 11.174757 9.459860 7.039075 6.435184 7.192178 10.970845 11.343899 10.214405 10.614083 11.843265 4.327190 0.000000 4.489915 4.493044 6.085401 10.180824 6.200411 11.545058 10.330850 7.531277 8.327338 12.845622 11.859319 11.446180 10.593394 9.686685 9.059853 7.456230 7.986847 5.372179 3.897391 11.595591 3.370467 3.368647 12.032164 2.145887 2.146495 1.083219 8.182873 13.678071 12.872150 13.134990 12.788872 12.097147 11.110374 11.388963 12.402732 10.659397 11.622221 9.007721 8.098123 7.860378 7.006837 11.893898 12.169597 11.602816 11.885873 13.113441 2.501511 2.503271 0.000000 C21H23F2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6069,-2.272,-.5671;-4.8123,1.7634,.5202;-2.0556,1.2786,.9773;2.0621,2.4243,-.2864;-1.534,.457,-1.0677;4.5087,-1.9188,.2716;3.2428,-1.0806,.0226;-.3616,1.2647,-.6714;.873,.4127,-.4493;5.7629,-1.0509,.4716;4.7515,-2.8456,-.9405;4.3107,-2.7792,1.5395;3.2714,.3201,-.0209;2.1057,1.0559,-.2497;2.0103,-1.7156,-.1701;-.8391,1.9999,.6097;.8496,-.9781,-.4003;-2.36,.5087,-.1024;-3.6429,-.2147,-.0277;3.273,3.18,-.0979;-3.7365,-1.5866,-.2752;-4.8407,.4277,.2959;2.9055,4.6457,-.1864;-4.9277,-2.2878,-.2101;-6.0578,-.2249,.3689;-6.0917,-1.5943,.1135;-.151,1.99,-1.4589;6.6289,-1.6961,.6453;5.6665,-.3883,1.3369;5.9794,-.4385,-.4087;5.6508,-3.4494,-.7807;4.8921,-2.2617,-1.8555;3.9141,-3.5288,-1.1022;4.1308,-2.1475,2.415;5.2054,-3.3802,1.7321;3.4645,-3.463,1.4374;4.2016,.8464,.1253;1.9433,-2.7966,-.143;-.147,1.9374,1.4466;-1.1142,3.039,.4207;-.0926,-1.4923,-.5484;3.703,2.9408,.881;3.9973,2.9068,-.8734;2.1813,4.9115,.5884;2.475,4.88,-1.1637;3.8006,5.2584,-.0472;-4.9304,-3.3524,-.4058;-6.9507,.3356,.6146;-7.034,-2.1258,.1666; 0.3336022 0.1029712 0.0821069 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= 710 RedAO= T EigKep= 1.17D-06 NBF= 710 NBsUse= 704 1.00D-06 EigRej= 8.64D-07 NBFU= 704 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= 724 724 724 724 724 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1219.35718424005 -1219.35718424 1 1.214324706088e+03 -7.469825280888e+03 2.725968183370e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323523334 LenY= 11322980902 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 4.1212 300.85 0.0088 0.000 95 96 0.70455 -1219.20573474 2 Singlet-A 4.8477 255.76 0.0083 0.000 94 96 0.69124 95 98 0.10119 3 Singlet-A 4.9496 250.49 0.1698 0.000 93 96 -0.20674 94 96 -0.11495 94 98 0.13286 94 99 0.19119 95 97 0.27060 95 98 0.51153 95 99 -0.17634 4 Singlet-A 4.9845 248.74 0.0460 0.000 91 97 -0.12442 92 96 0.36520 93 97 -0.12819 95 97 0.50786 95 98 -0.22525 5 Singlet-A 5.0102 247.46 0.0176 0.000 91 97 -0.16455 92 96 0.49180 93 96 -0.17944 93 97 -0.17603 95 97 -0.40113 6 Singlet-A 5.0542 245.31 0.1040 0.000 91 96 -0.14679 92 96 0.12484 93 96 0.61980 95 98 0.16964 7 Singlet-A 5.3741 230.71 0.0168 0.000 95 98 -0.14988 95 99 -0.43964 95 100 0.48983 8 Singlet-A 5.4847 226.05 0.1718 0.000 90 96 0.36847 91 96 0.37967 94 98 0.18050 95 98 -0.13741 95 99 -0.22696 95 100 -0.28732 9 Singlet-A 5.5070 225.14 0.0139 0.000 90 96 0.31241 91 96 0.26487 93 96 0.11066 94 98 -0.17758 95 98 0.19827 95 99 0.32145 95 100 0.34538 10 Singlet-A 5.7194 216.78 0.0053 0.000 94 97 0.69737 PT24650.600S 2024-08-23T12:45:17.000 -24.70618 -24.70534 -19.16791 -19.15313 -14.30697 -10.28364 -10.28337 -10.28107 -10.23276 -10.22515 -10.22149 -10.21652 -10.21271 -10.20044 -10.19183 -10.19161 -10.18496 -10.17905 -10.17636 -10.16895 -10.16648 -10.16055 -10.15896 -10.15030 -10.15017 -10.15003 -1.24571 -1.24498 -1.09897 -1.06574 -0.92049 -0.89066 -0.86120 -0.82106 -0.80354 -0.77411 -0.77133 -0.76273 -0.73524 -0.71972 -0.68029 -0.67914 -0.66082 -0.65345 -0.64252 -0.63984 -0.59975 -0.59354 -0.58224 -0.56767 -0.55311 -0.54323 -0.52600 -0.51451 -0.50694 -0.50178 -0.49466 -0.48896 -0.48236 -0.48031 -0.47807 -0.47419 -0.45453 -0.45050 -0.43814 -0.43450 -0.43079 -0.42205 -0.42005 -0.40882 -0.40429 -0.40003 -0.39585 -0.38924 -0.38739 -0.38123 -0.37910 -0.37459 -0.37250 -0.36991 -0.36766 -0.35985 -0.35735 -0.34945 -0.34538 -0.33019 -0.31722 -0.31505 -0.31269 -0.29488 -0.28106 -0.26580 -0.25970 -0.24835 -0.22113 -0.05137 -0.02283 -0.00994 -0.00141 0.00277 0.01024 0.01389 0.01686 0.01852 0.02740 0.03000 0.03039 0.03283 0.03881 0.04098 0.04622 0.04859 0.05257 0.05671 0.05933 0.06134 0.06255 0.06660 0.06813 0.07078 0.07537 0.07885 0.08430 0.08604 0.08857 0.09187 0.09332 0.09835 0.10213 0.10370 0.10755 0.10972 0.11240 0.11666 0.12109 0.12248 0.12462 0.12695 0.13000 0.13331 0.13454 0.13767 0.14035 0.14389 0.14606 0.14744 0.15056 0.15590 0.15912 0.16033 0.16469 0.16627 0.16766 0.17219 0.17517 0.17581 0.17834 0.18321 0.18530 0.18636 0.19346 0.19386 0.19593 0.19829 0.20120 0.20371 0.20440 0.20598 0.20872 0.21059 0.21275 0.21444 0.21965 0.21980 0.22311 0.22457 0.22659 0.22988 0.23347 0.23504 0.23884 0.24016 0.24214 0.24339 0.24566 0.25139 0.25170 0.25361 0.25636 0.25741 0.25975 0.26341 0.26712 0.26962 0.27152 0.27544 0.27637 0.28063 0.28314 0.28765 0.28920 0.28931 0.29221 0.29778 0.29935 0.30175 0.30566 0.31039 0.31610 0.32008 0.32124 0.32634 0.32855 0.33391 0.33698 0.34094 0.34123 0.34468 0.35082 0.35375 0.35641 0.36002 0.36029 0.36545 0.36996 0.37286 0.37546 0.38250 0.38410 0.38932 0.39584 0.40100 0.40558 0.41030 0.41459 0.41756 0.42020 0.42123 0.42751 0.42987 0.44235 0.44567 0.45415 0.46046 0.47439 0.47750 0.47993 0.48606 0.48899 0.49988 0.50273 0.50882 0.51657 0.51853 0.52656 0.52843 0.53216 0.53671 0.54465 0.54816 0.55199 0.55684 0.56104 0.56491 0.56603 0.57378 0.57813 0.58382 0.59298 0.59740 0.60278 0.60433 0.61033 0.61508 0.61610 0.62062 0.62314 0.62575 0.63236 0.64141 0.64597 0.64797 0.65441 0.65663 0.66373 0.66616 0.66826 0.67249 0.68174 0.68286 0.69087 0.69382 0.69667 0.70004 0.70319 0.70763 0.71061 0.71586 0.71629 0.72193 0.72463 0.72985 0.73294 0.73556 0.73853 0.74203 0.74467 0.74821 0.75712 0.76053 0.76590 0.77014 0.77480 0.78409 0.78531 0.79422 0.79528 0.79942 0.80804 0.81360 0.81979 0.82536 0.82641 0.84062 0.84168 0.84633 0.85844 0.86367 0.86731 0.87469 0.88903 0.90088 0.91570 0.92287 0.92776 0.93946 0.94621 0.94838 0.95547 0.97081 0.97321 0.97875 0.98884 0.99879 1.00533 1.00877 1.01251 1.01853 1.02122 1.03398 1.04623 1.05028 1.05944 1.07021 1.08042 1.08337 1.08519 1.10129 1.10533 1.11104 1.12007 1.12520 1.12831 1.14374 1.15228 1.16071 1.16469 1.18175 1.18929 1.20193 1.21598 1.22127 1.22567 1.23396 1.25005 1.25595 1.27091 1.28357 1.29450 1.29794 1.30286 1.32037 1.32499 1.32946 1.35941 1.39610 1.39806 1.40845 1.42958 1.43518 1.43887 1.44500 1.45094 1.45349 1.45912 1.46500 1.46896 1.47007 1.47130 1.47771 1.48426 1.49194 1.50163 1.50946 1.52011 1.52882 1.53167 1.53361 1.53529 1.53691 1.54920 1.55848 1.56347 1.56974 1.57454 1.57812 1.57885 1.58211 1.58591 1.59047 1.59296 1.60213 1.60698 1.60952 1.61786 1.62188 1.62620 1.64041 1.64905 1.65451 1.65689 1.65847 1.66686 1.66880 1.67520 1.68921 1.69234 1.69490 1.70635 1.70939 1.71317 1.72579 1.73163 1.74250 1.74454 1.75632 1.76373 1.77256 1.78105 1.78299 1.78588 1.79007 1.79784 1.81264 1.83089 1.83854 1.84480 1.85262 1.85670 1.86151 1.86865 1.88226 1.88553 1.88978 1.90221 1.90553 1.90661 1.92342 1.93304 1.93938 1.94266 1.95143 1.95975 1.96405 1.96805 1.97635 1.97885 1.99368 2.00157 2.00791 2.01661 2.01836 2.03432 2.04237 2.04660 2.05927 2.06602 2.07453 2.08532 2.10759 2.11595 2.12731 2.12995 2.14051 2.14812 2.14991 2.16758 2.17809 2.17898 2.20048 2.21441 2.21702 2.22344 2.23145 2.25168 2.25620 2.25960 2.26944 2.29222 2.29631 2.31307 2.32595 2.33149 2.36002 2.36779 2.37564 2.38787 2.40628 2.41628 2.43848 2.44785 2.45610 2.46449 2.47290 2.48933 2.49105 2.49893 2.51428 2.53045 2.53323 2.53450 2.53764 2.54086 2.55624 2.55897 2.56717 2.57358 2.57762 2.58165 2.59542 2.59948 2.60817 2.62217 2.62815 2.64369 2.64513 2.65876 2.66004 2.67386 2.67549 2.68209 2.68911 2.69311 2.69614 2.71955 2.72614 2.73959 2.74344 2.75252 2.75671 2.76343 2.76796 2.76979 2.77233 2.78504 2.78690 2.80153 2.80433 2.81048 2.82451 2.83781 2.85421 2.85708 2.86430 2.87076 2.88296 2.88956 2.89419 2.90226 2.91938 2.94788 2.96028 2.96921 2.98143 2.99110 2.99653 3.02688 3.03261 3.06440 3.06736 3.07912 3.08864 3.09259 3.11359 3.12068 3.12958 3.14037 3.16798 3.17503 3.18046 3.20065 3.20369 3.21677 3.22063 3.24469 3.26126 3.27901 3.29078 3.31427 3.32059 3.34262 3.37958 3.39509 3.41790 3.44268 3.47659 3.52919 3.55547 3.60930 3.62264 3.63081 3.63768 3.66200 3.74363 3.78005 3.78145 3.78232 3.79288 3.79400 3.79590 3.81206 3.81710 3.82104 3.82267 3.83080 3.85196 3.86614 3.87028 3.88033 3.88884 3.95831 3.96710 3.97169 4.02614 4.04059 4.07151 4.10504 4.10834 4.11770 4.12730 4.13155 4.14711 4.20048 4.24597 4.25895 4.28887 4.30450 4.32626 4.36033 4.45620 4.58695 4.81969 4.87378 4.88324 4.89203 4.97208 5.07366 5.09492 5.44693 5.46614 5.71244 5.81839 6.31903 6.34095 6.47520 6.48889 6.72746 6.79915 23.52141 23.62523 23.82710 23.82840 23.85910 23.87243 23.89563 23.93032 23.94443 23.96025 23.97909 23.98008 23.99035 23.99097 24.00732 24.04188 24.07321 24.07984 24.10724 24.17231 24.19678 35.66237 49.93894 49.99755 66.79311 66.81078 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 F F O O N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.159861 -0.175316 -0.048668 -0.149154 -0.026818 0.381062 0.453301 0.239332 0.358427 -0.558170 -0.624082 -0.619480 -0.316531 -0.027073 -0.561507 -0.188127 -0.542891 0.337107 0.940282 0.107890 -1.288729 -0.239469 -0.694894 -0.199932 0.116431 -0.298533 0.200852 0.160710 0.149977 0.150097 0.148946 0.147677 0.152597 0.147882 0.148786 0.151502 0.168480 0.141872 0.196934 0.194769 0.169206 0.172550 0.169742 0.155662 0.159233 0.163928 0.174978 0.175969 0.183054 -0.00000 1.0876 0.5886 1.6275 2.0441 -109.0106 -138.0942 -162.6802 20.6175 0.2843 -1.2984 27.5844 -1.4992 -26.0852 20.6175 0.2843 -1.2984 -203.7271 32.9308 8.3635 7.0710 -55.4590 14.8162 0.6698 15.1462 -1.2599 2.2862 -10615.0927 -3646.7198 -574.7124 579.0120 -85.6744 234.0352 23.3691 -19.8303 16.2496 -2465.7768 -2323.2375 -752.0960 -15.6586 23.3357 13.7050 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GANDULLAS ALCAMI 2024-08-23T00:00:00.000 0 Electronic spectrum Etoxazole CONF6 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1219.3571842 RMSD=2.843e-09 PG=C01 [X(C21H23F2N1O2)] 0 2.4291953639 2.2802452582 -0.6306028225 0 4.6707932007 -1.7124062634 0.5378457749 0 1.9128613261 -1.2377989749 0.9982210174 0 -2.2025109031 -2.4431003368 -0.2169422676 0 1.3745180766 -0.4675460505 -1.0624718566 0 -4.6791027886 1.893241487 0.2537102298 0 -3.4081681204 1.0590578768 0.0174102372 0 0.2103018485 -1.2746561473 -0.6414107973 0 -1.0295282933 -0.4269985598 -0.432456141 0 -5.9256377927 1.0208401433 0.4802906362 0 -4.9351923956 2.7899395592 -0.9781770678 0 -4.481182993 2.7841455017 1.5003823919 0 -3.4263663369 -0.3424384095 0.0063432298 0 -2.2563041229 -1.0745881848 -0.2115986464 0 -2.1814965072 1.6985798403 -0.1963915638 0 0.6999529694 -1.976439081 0.6537168711 0 -1.0164284833 0.9647467262 -0.415632241 0 2.2058003078 -0.4908155144 -0.1006099178 0 3.4836134711 0.2437352816 -0.0493302184 0 -3.406634694 -3.2033394272 -0.004696265 0 3.5654153498 1.6101931995 -0.3289340586 0 4.6878512466 -0.3819960837 0.2825755944 0 -3.0284225894 -4.6679118105 -0.0613368155 0 4.7515945798 2.3215785641 -0.2862860653 0 5.9002792748 0.281201384 0.3340770765 0 5.9224652957 1.644554866 0.046979685 0 0.0011988855 -2.0195175926 -1.4108802302 0 -6.7956200425 1.6633728109 0.6436253269 0 -5.8197763524 0.3791248234 1.3600895954 0 -6.142005618 0.3867310123 -0.3844860072 0 -5.8382298733 3.3905641537 -0.8275538052 0 -5.0760375651 2.1841186617 -1.878666689 0 -4.1038408654 3.4754937601 -1.1599881699 0 -4.2919643604 2.1742188321 2.389192035 0 -5.3794049013 3.3827909045 1.6837768713 0 -3.6407533917 3.4717395391 1.3780659063 0 -4.3517882371 -0.8721930694 0.1695485106 0 -2.1226586769 2.7804226171 -0.194606234 0 0.0117121675 -1.8998332177 1.4926088952 0 0.9819571705 -3.0176094418 0.4873158819 0 -0.0789460113 1.4824142675 -0.5805738285 0 -3.8333808841 -2.9447797773 0.9707611479 0 -4.1369149457 -2.9535107372 -0.7824080739 0 -2.2983189952 -4.9102891712 0.7156308365 0 -2.6011966172 -4.9214779392 -1.0352412883 0 -3.9181263982 -5.2838985959 0.0967553169 0 4.7451908383 3.3814314792 -0.5065405135 0 6.798714018 -0.266825587 0.5879174549 0 6.8610236827 2.1841708235 0.0828447068 Gaussian 16 23-Aug-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C21H23F2NO2)] 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 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.4292,2.2802,-.6306;4.6708,-1.7124,.5378;1.9129,-1.2378,.9982;-2.2025,-2.4431,-.2169;1.3745,-.4675,-1.0625;-4.6791,1.8932,.2537;-3.4082,1.0591,.0174;.2103,-1.2747,-.6414;-1.0295,-.427,-.4325;-5.9256,1.0208,.4803;-4.9352,2.7899,-.9782;-4.4812,2.7841,1.5004;-3.4264,-.3424,.0063;-2.2563,-1.0746,-.2116;-2.1815,1.6986,-.1964;.7,-1.9764,.6537;-1.0164,.9647,-.4156;2.2058,-.4908,-.1006;3.4836,.2437,-.0493;-3.4066,-3.2033,-.0047;3.5654,1.6102,-.3289;4.6879,-.382,.2826;-3.0284,-4.6679,-.0613;4.7516,2.3216,-.2863;5.9003,.2812,.3341;5.9225,1.6446,.047;.0012,-2.0195,-1.4109;-6.7956,1.6634,.6436;-5.8198,.3791,1.3601;-6.142,.3867,-.3845;-5.8382,3.3906,-.8276;-5.076,2.1841,-1.8787;-4.1038,3.4755,-1.16;-4.292,2.1742,2.3892;-5.3794,3.3828,1.6838;-3.6408,3.4717,1.3781;-4.3518,-.8722,.1695;-2.1227,2.7804,-.1946;.0117,-1.8998,1.4926;.982,-3.0176,.4873;-.0789,1.4824,-.5806;-3.8334,-2.9448,.9708;-4.1369,-2.9535,-.7824;-2.2983,-4.9103,.7156;-2.6012,-4.9215,-1.0352;-3.9181,-5.2839,.0968;4.7452,3.3814,-.5065;6.7987,-.2668,.5879;6.861,2.1842,.0828; oldchk=opt-b3lyp-pople.chk #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 Etoxazole CONF6 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 48 49 19 19 16 16 14 12 12 12 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 18.9984033 18.9984033 15.9949146 15.9949146 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 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 1 0 0 2 0 0 0 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 6.7500000 6.7500000 5.6000000 5.6000000 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1377 A 1221 A 1221 1761 1377 95 95 2310.2267736652 49 49 49 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0506976639 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.725600 0.000000 3.911049 2.836086 0.000000 6.628259 6.953124 4.457091 0.000000 2.974763 3.869900 2.264853 4.172873 0.000000 7.173541 10.025068 7.335646 5.015863 6.629629 0.000000 5.998836 8.556955 5.878001 3.711286 5.135246 1.538498 0.000000 4.190576 4.634464 2.363992 2.714240 1.477876 5.894327 4.355869 0.000000 4.396726 5.923464 3.370740 2.342435 2.485559 4.378782 2.840541 1.516365 0.000000 8.521938 10.943413 8.173847 5.132903 7.608396 1.538269 2.559956 6.646599 5.186640 0.000000 7.390183 10.716548 8.186859 5.952456 7.101462 1.545055 2.513752 6.565856 5.089274 2.497563 0.000000 7.249024 10.242271 7.570469 5.955304 7.171538 1.545016 2.515252 6.562864 5.095216 2.497255 2.519805 0.000000 6.447618 8.229417 5.503894 2.441405 4.920011 2.574646 1.401658 3.809721 2.438140 2.886089 3.613534 3.622198 0.000000 5.777922 6.996653 4.344219 1.369579 3.778274 3.859337 2.435504 2.511755 1.404681 4.281768 4.764311 4.771875 1.397350 0.000000 4.667478 7.689461 5.178145 4.141784 4.252933 2.545294 1.399794 3.841728 2.429165 3.864689 3.063510 3.057131 2.399283 2.774219 0.000000 4.770652 3.981295 1.461307 3.065961 2.382667 6.638424 5.147406 1.552293 2.563522 7.274078 7.558856 7.086902 4.485038 3.209605 4.746704 0.000000 3.694465 6.357732 3.928222 3.613819 2.861204 3.837357 2.432455 2.563351 1.391909 4.990607 4.359415 4.357275 2.773914 2.395372 1.394260 3.569320 0.000000 2.830119 2.824199 1.360598 4.822671 1.271515 7.294598 5.825176 2.211083 3.252929 8.291130 7.907418 7.616055 5.635136 4.501498 4.904182 2.245810 3.549741 0.000000 2.365808 2.362342 2.399910 6.291199 2.445539 8.333225 6.940163 3.656589 4.578768 9.456130 8.844332 8.502545 6.935021 5.891601 5.850784 3.629355 4.572134 1.474788 0.000000 8.032333 8.231772 5.759013 1.439766 5.609178 5.259381 4.262455 4.148187 3.679902 4.942093 6.261274 6.266569 2.860990 2.428508 5.056335 4.336226 4.822333 6.234293 7.704533 0.000000 1.353133 3.607331 3.550118 7.050582 3.107267 8.269926 7.003897 4.435852 5.027363 9.543703 8.606605 8.335005 7.267062 6.412038 5.749120 4.694721 4.627895 2.512951 1.397168 8.478485 0.000000 3.608732 1.354786 2.990839 7.209352 3.576961 9.639365 8.227544 4.658223 5.762094 10.707623 10.210467 9.776436 8.119014 6.996084 7.193479 4.310838 5.902543 2.513812 1.397101 8.576900 2.366986 0.000000 8.853618 8.268734 6.107751 2.378262 6.166947 6.772941 5.740086 4.726522 4.703047 6.406958 7.752155 7.751299 4.344267 3.678413 6.423997 4.653613 5.991702 6.696773 8.156656 1.513679 9.108508 8.833359 0.000000 2.348148 4.118101 4.730490 8.430098 4.448182 9.455851 8.262440 5.803650 6.402923 10.783453 9.722753 9.415431 8.605909 7.787822 6.961606 5.981000 5.926872 3.798040 2.445681 9.857014 1.383802 2.763509 10.460987 0.000000 4.120098 2.351091 4.318327 8.566251 4.795152 10.701797 9.346258 5.978973 7.007949 11.849927 11.199251 10.742428 9.353216 8.286482 8.222254 5.678248 6.990718 3.799229 2.447178 9.943613 2.767199 1.382919 10.216251 2.422285 0.000000 3.614714 3.616189 5.028891 9.099111 5.135726 10.606499 9.349032 6.451704 7.269897 11.872419 10.965928 10.566312 9.557743 8.622811 8.107795 6.383914 6.987446 4.288961 2.814173 10.513651 2.387085 2.384677 10.953418 1.392970 1.393431 0.000000 4.999196 5.069217 3.173217 2.541898 2.101430 6.323430 4.810553 1.091158 2.134439 6.924427 6.905510 7.186263 4.070543 2.725342 4.479218 2.180063 3.306345 2.985633 4.370737 3.871966 5.200870 5.245377 4.244274 6.532694 6.567902 7.114224 0.000000 9.332814 11.953481 9.185869 6.220961 8.614101 2.164375 3.497452 7.704951 6.226991 1.093799 2.713040 2.710495 3.972566 5.369658 4.690096 8.332583 5.916854 9.285472 10.399913 5.965772 10.406717 11.669790 7.400940 11.603281 12.774665 12.732087 7.998839 0.000000 8.696128 10.728590 7.908165 4.851453 7.638294 2.194940 2.842701 6.565275 5.177792 1.094098 3.473040 2.756019 2.842832 4.157141 4.171412 6.968107 5.154444 8.203677 9.410518 4.529894 9.615100 10.590117 5.940092 10.873710 11.765288 11.883005 6.878627 1.764904 0.000000 8.781313 11.053221 8.332578 4.853415 7.595234 2.194756 2.843837 6.570999 5.177053 1.093960 2.753957 3.472558 2.838861 4.154999 4.176357 7.312649 5.158160 8.398603 9.632514 4.529360 9.784374 10.877578 5.945438 11.064529 12.064166 12.137534 6.677011 1.764664 1.774101 0.000000 8.343975 11.761981 9.210571 6.900938 8.183149 2.180523 3.472043 7.640920 6.152520 2.708078 1.094949 2.761993 4.521922 5.757359 4.078342 8.587591 5.413320 8.961025 9.869393 7.075967 9.583678 11.236680 8.568614 10.657396 12.198775 11.921716 7.981741 2.462550 3.722216 3.051492 0.000000 7.608904 10.771404 8.296428 5.694703 7.021906 2.188424 2.764536 6.437337 5.028290 2.764004 1.094412 3.483082 3.557832 4.620518 3.382923 7.555480 4.484168 7.958764 8.965444 5.943347 8.798055 10.324216 7.378735 9.956753 11.357678 11.178833 6.608155 3.096788 3.781626 2.568943 1.772367 0.000000 6.662539 10.333980 7.941895 6.287619 6.750518 2.198407 2.776579 6.437754 5.020971 3.469118 1.092788 2.774513 4.049186 5.001608 2.789507 7.489295 4.048460 7.527647 8.321495 6.813781 7.936466 9.708505 8.287256 8.972938 10.607457 10.263329 6.863632 3.712476 4.345426 3.781002 1.768002 1.768987 0.000000 7.369151 9.943056 7.216407 5.698894 7.141563 2.188403 2.765869 6.430373 5.037015 2.764611 3.483106 1.094439 3.572225 4.632793 3.371283 6.720050 4.478727 7.451340 8.374531 5.952532 8.333352 9.571267 7.376746 9.432171 10.568294 10.492906 7.103466 3.094553 2.572085 3.782996 3.770661 4.339296 3.784889 0.000000 8.218649 11.326106 8.660080 6.902637 8.245147 2.180429 3.473080 7.638268 6.157464 2.706577 2.763114 1.094903 4.528297 5.763197 4.074091 8.169514 5.412025 8.701965 9.560880 7.079539 9.338250 10.839125 8.566584 10.375185 11.775943 11.551313 8.228775 2.458451 3.052984 3.719630 2.552913 3.770922 3.118118 1.772226 0.000000 6.503744 9.831742 7.291548 6.292688 6.828407 2.198636 2.779661 6.437172 5.029577 3.468949 2.773500 1.092735 4.059007 5.011270 2.784321 7.003504 4.048388 7.215990 7.950728 6.820815 7.635972 9.242134 8.288592 8.632754 10.114383 9.826777 7.155134 3.709822 3.783217 4.345127 3.114523 3.784748 2.579958 1.769184 1.767563 0.000000 7.520628 9.069100 6.329787 2.690078 5.871303 2.786009 2.154831 4.651053 3.405586 2.481358 3.881862 3.893157 1.078741 2.139460 3.384221 5.193637 3.852455 6.574223 7.917495 2.521492 8.312210 9.053626 4.026423 9.658133 10.318056 10.578721 4.771017 3.553330 2.266754 2.257592 4.623291 3.749769 4.553189 3.769751 4.631822 4.564629 0.000000 4.599961 8.177590 5.818450 5.224181 4.851055 2.742897 2.158838 4.699575 3.396919 4.244322 2.919661 2.904417 3.390029 3.857364 1.083443 5.595938 2.137587 5.426361 6.155175 6.122913 5.808758 7.524071 7.504389 6.890160 8.419807 8.128504 5.387905 4.877192 4.674611 4.681983 3.818162 3.451679 2.310881 3.427737 3.807567 2.292559 4.294558 0.000000 5.274970 4.759594 2.072939 2.849647 3.230654 6.158411 4.756767 2.232560 2.638048 6.693821 7.250560 6.490441 4.056458 2.954531 4.539985 1.087788 3.592252 3.055765 4.361945 3.952992 5.316682 5.063031 4.395387 6.591758 6.385478 7.041984 2.905974 7.730264 6.262385 6.827892 8.221513 7.343661 7.271051 5.993613 7.550285 6.496724 4.674042 5.413597 0.000000 5.604597 3.913262 2.072518 3.311628 3.009779 7.497908 6.009428 2.215257 3.406364 8.001499 8.419498 8.033216 5.178918 3.840592 5.719907 1.091445 4.546210 2.868473 4.145195 4.419990 5.362563 4.552145 4.371231 6.581455 5.924148 6.807224 2.358224 9.078917 7.652654 7.943577 9.450319 8.327974 8.410668 7.641103 9.102943 8.017140 5.757832 6.612173 1.789249 0.000000 2.632453 5.832475 3.722828 4.477881 2.479340 4.693213 3.408891 2.772869 2.138084 5.960058 5.044883 5.040295 3.857432 3.378652 2.148265 3.754174 1.083540 3.056807 3.808986 5.775936 3.655273 5.190704 6.840726 4.911713 6.166898 6.036311 3.599911 6.829723 6.159591 6.164387 6.072181 5.210409 4.528561 5.200733 6.069067 4.525501 4.935994 2.451644 3.968111 4.745115 0.000000 8.311746 8.603902 5.994484 2.078956 6.114976 4.963452 4.137680 4.662594 4.021173 4.510459 6.156245 5.789709 2.804985 2.717124 5.064756 4.646431 5.014150 6.606170 8.046466 1.095665 8.785168 8.924845 2.163878 10.149705 10.274067 10.820901 4.607855 5.487891 3.891746 4.273805 6.884035 5.997419 6.770019 5.331641 6.552613 6.432319 2.281733 6.087906 4.018579 4.840093 6.008533 0.000000 8.398158 8.992171 6.535602 2.078988 6.052632 4.985832 4.155898 4.662266 4.020147 4.537555 5.801965 6.184687 2.818636 2.718983 5.080258 5.139301 5.022420 6.838110 8.296520 1.095700 8.964314 9.253290 2.165149 10.347865 10.604488 11.091493 4.288509 5.515242 4.304507 3.916114 6.568394 5.336569 6.440168 6.031310 6.911915 6.796886 2.298755 6.105795 4.847375 5.274387 6.015420 1.779273 0.000000 8.710082 7.669849 5.594737 2.639298 6.032358 7.222848 6.111659 4.620884 4.798732 6.956373 8.313580 8.036483 4.758239 3.946406 6.672524 4.195348 6.118745 6.362789 7.783308 2.158915 8.831262 8.336639 1.093379 10.149139 9.711548 10.535387 4.262205 7.965170 6.387009 6.636460 9.155138 8.048399 8.780616 7.547561 8.899751 8.514655 4.563021 7.746382 3.873343 3.794018 6.890023 2.506937 3.074661 0.000000 8.793941 8.102751 6.170995 2.640250 5.970306 7.240131 6.125854 4.621573 4.799358 6.975664 8.057093 8.327086 4.767956 3.949164 6.686178 4.735338 6.127238 6.603902 8.042162 2.159341 9.010477 8.687563 1.093301 10.348253 10.060716 10.813732 3.915985 7.985740 6.647801 6.413883 8.922531 7.571374 8.531274 8.058185 9.169099 8.794932 4.573051 7.762405 4.727331 4.333807 6.897703 3.074030 2.509034 1.776911 0.000000 9.901203 9.312339 7.154298 3.333448 7.249355 7.219076 6.363918 5.801968 5.675697 6.627740 8.208335 8.208565 4.966692 4.535971 7.201168 5.707552 6.908543 7.779144 9.239147 2.144911 10.183963 9.905858 1.093620 11.539240 11.288390 12.035082 5.318859 7.539471 6.105909 6.110096 8.932382 7.811167 8.851037 7.811436 8.931152 8.853242 4.433566 8.266914 5.370655 5.412894 7.809038 2.498509 2.500301 1.773800 1.773998 0.000000 2.567457 5.200333 5.623494 9.070810 5.146370 9.571311 8.493833 6.500966 6.917876 10.973277 9.709898 9.460997 8.994699 8.304459 7.134927 6.812997 6.248591 4.648395 3.412588 10.491106 2.135579 3.845696 11.199071 1.082516 3.413546 2.170046 7.245243 11.724544 11.140767 11.292217 10.588292 9.988634 8.873624 9.566232 10.358809 8.595578 10.065061 6.901150 7.368458 7.489820 5.184983 10.760821 10.913267 10.947939 11.098975 12.268047 0.000000 5.202409 2.572986 4.998269 9.295484 5.673268 11.684086 10.308438 6.777473 7.896087 12.789793 12.226243 11.720797 10.241885 9.126065 9.226166 6.334192 7.974982 4.649634 3.414183 10.635951 3.849420 2.135940 10.787201 3.413908 1.082568 2.171129 7.298858 13.730793 12.658586 12.993650 13.231493 12.373394 11.658723 11.498106 12.760376 11.116820 11.174757 9.459860 7.039075 6.435184 7.192178 10.970845 11.343899 10.214405 10.614083 11.843265 4.327190 0.000000 4.489915 4.493044 6.085401 10.180824 6.200411 11.545058 10.330850 7.531277 8.327338 12.845622 11.859319 11.446180 10.593394 9.686685 9.059853 7.456230 7.986847 5.372179 3.897391 11.595591 3.370467 3.368647 12.032164 2.145887 2.146495 1.083219 8.182873 13.678071 12.872150 13.134990 12.788872 12.097147 11.110374 11.388963 12.402732 10.659397 11.622221 9.007721 8.098123 7.860378 7.006837 11.893898 12.169597 11.602816 11.885873 13.113441 2.501511 2.503271 0.000000 C21H23F2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.22700639999977 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;5;3;4;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6069,-2.272,-.5671;-4.8123,1.7634,.5202;-2.0556,1.2786,.9773;2.0621,2.4243,-.2864;-1.534,.457,-1.0677;4.5087,-1.9188,.2716;3.2428,-1.0806,.0226;-.3616,1.2647,-.6714;.873,.4127,-.4493;5.7629,-1.0509,.4716;4.7515,-2.8456,-.9405;4.3107,-2.7792,1.5395;3.2714,.3201,-.0209;2.1057,1.0559,-.2497;2.0103,-1.7156,-.1701;-.8391,1.9999,.6097;.8496,-.9781,-.4003;-2.36,.5087,-.1024;-3.6429,-.2147,-.0277;3.273,3.18,-.0979;-3.7365,-1.5866,-.2752;-4.8407,.4277,.2959;2.9055,4.6457,-.1864;-4.9277,-2.2878,-.2101;-6.0578,-.2249,.3689;-6.0917,-1.5943,.1135;-.151,1.99,-1.4589;6.6289,-1.6961,.6453;5.6665,-.3883,1.3369;5.9794,-.4385,-.4087;5.6508,-3.4494,-.7807;4.8921,-2.2617,-1.8555;3.9141,-3.5288,-1.1022;4.1308,-2.1475,2.415;5.2054,-3.3802,1.7321;3.4645,-3.463,1.4374;4.2016,.8464,.1253;1.9433,-2.7966,-.143;-.147,1.9374,1.4466;-1.1142,3.039,.4207;-.0926,-1.4923,-.5484;3.703,2.9408,.881;3.9973,2.9068,-.8734;2.1813,4.9115,.5884;2.475,4.88,-1.1637;3.8006,5.2584,-.0472;-4.9304,-3.3524,-.4058;-6.9507,.3356,.6146;-7.034,-2.1258,.1666; 0.3336022 0.1029712 0.0821069 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= 1221 RedAO= T EigKep= 1.10D-06 NBF= 1221 NBsUse= 1213 1.00D-06 EigRej= 7.69D-07 NBFU= 1213 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= 1338 1338 1338 1338 1338 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1219.36334866753 -1219.43794181781 -0.074593150277 -1219.43800189405 -0.000060076243 -1219.43831223939 -0.000310345340 -1219.43834446005 -0.000032220662 -1219.43834868383 -0.000004223774 -1219.43834916843 -0.000000484606 -1219.43834923458 -0.000000066146 -1219.43834923758 -0.000000002999 -1219.43834923790 -0.000000000327 -1219.43834923800 -0.000000000101 -1219.43834923777 0.000000000237 -1219.43834924 12 1.213948090879e+03 -7.469884101407e+03 2.726322454100e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11320804882 LenY= 11318907376 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. PT21945.300S 2024-08-23T13:31:12.000 -24.70578 -24.70480 -19.16717 -19.15264 -14.30486 -10.28082 -10.28062 -10.27822 -10.23051 -10.22321 -10.21953 -10.21371 -10.21039 -10.19835 -10.18927 -10.18904 -10.18378 -10.17763 -10.17451 -10.16727 -10.16466 -10.15890 -10.15758 -10.14911 -10.14898 -10.14871 -1.24236 -1.24156 -1.09490 -1.06267 -0.91696 -0.88751 -0.85907 -0.81926 -0.80115 -0.77244 -0.76863 -0.76042 -0.73335 -0.71787 -0.67955 -0.67865 -0.65848 -0.65113 -0.64064 -0.63784 -0.59761 -0.59171 -0.58065 -0.56570 -0.55158 -0.54101 -0.52415 -0.51297 -0.50463 -0.50020 -0.49375 -0.48703 -0.48160 -0.47959 -0.47627 -0.47297 -0.45355 -0.44885 -0.43684 -0.43402 -0.42937 -0.42131 -0.41815 -0.40728 -0.40359 -0.39845 -0.39473 -0.38873 -0.38708 -0.38000 -0.37758 -0.37300 -0.37180 -0.36872 -0.36663 -0.35964 -0.35606 -0.34879 -0.34461 -0.32980 -0.31639 -0.31408 -0.31229 -0.29366 -0.27993 -0.26436 -0.25852 -0.24781 -0.22057 -0.05044 -0.02172 -0.00999 -0.00157 0.00197 0.00929 0.01285 0.01723 0.01763 0.02629 0.02865 0.02948 0.03182 0.03748 0.03977 0.04488 0.04777 0.05148 0.05527 0.05802 0.05967 0.06187 0.06496 0.06699 0.06954 0.07438 0.07766 0.08306 0.08513 0.08701 0.09034 0.09163 0.09639 0.10043 0.10234 0.10591 0.10777 0.11049 0.11605 0.11977 0.12090 0.12258 0.12519 0.12875 0.13141 0.13243 0.13624 0.13899 0.14163 0.14427 0.14567 0.14853 0.15329 0.15637 0.15805 0.16187 0.16262 0.16448 0.16975 0.17130 0.17285 0.17463 0.18072 0.18188 0.18222 0.18876 0.19039 0.19127 0.19412 0.19558 0.19827 0.20003 0.20158 0.20305 0.20580 0.20807 0.20954 0.21262 0.21542 0.21734 0.21752 0.22100 0.22417 0.22723 0.22786 0.23247 0.23320 0.23500 0.23906 0.23949 0.24339 0.24579 0.24775 0.24925 0.25043 0.25333 0.25699 0.25896 0.26032 0.26229 0.26636 0.26885 0.27185 0.27650 0.27786 0.28008 0.28225 0.28415 0.28708 0.28896 0.29082 0.29675 0.29709 0.30276 0.30892 0.31296 0.31482 0.31651 0.32037 0.32416 0.32652 0.32771 0.33275 0.33534 0.33890 0.34043 0.34131 0.34455 0.34630 0.34968 0.35139 0.35369 0.35699 0.35837 0.36408 0.36589 0.36802 0.36967 0.37271 0.37831 0.38395 0.38702 0.38814 0.39354 0.39454 0.39842 0.40073 0.40312 0.40513 0.41017 0.41208 0.41372 0.41610 0.42109 0.42364 0.42488 0.43237 0.43444 0.43788 0.44378 0.44708 0.45159 0.45454 0.45829 0.45958 0.46316 0.46450 0.46858 0.47138 0.47763 0.48059 0.48443 0.48634 0.48853 0.49342 0.49962 0.50065 0.50681 0.51387 0.51575 0.51665 0.51682 0.52440 0.52499 0.52996 0.53139 0.53429 0.53844 0.54165 0.54569 0.54882 0.55115 0.55882 0.56127 0.56227 0.56519 0.56717 0.57107 0.57371 0.57823 0.58134 0.58499 0.58834 0.58977 0.59091 0.59331 0.59808 0.59871 0.60126 0.60430 0.60991 0.61110 0.61223 0.61742 0.62219 0.62350 0.62824 0.63256 0.63300 0.63688 0.63848 0.64078 0.64396 0.64707 0.65217 0.65878 0.65981 0.66384 0.66719 0.67059 0.67409 0.67687 0.68155 0.68460 0.68737 0.69094 0.69412 0.70000 0.70063 0.70453 0.70734 0.70827 0.71319 0.71544 0.71867 0.72561 0.73367 0.73725 0.73789 0.74225 0.74797 0.75180 0.75601 0.75863 0.75960 0.76678 0.76935 0.77573 0.77919 0.78398 0.78536 0.78671 0.79404 0.79768 0.79991 0.80419 0.81077 0.81910 0.82013 0.82549 0.83526 0.83822 0.84110 0.84572 0.85002 0.85355 0.86101 0.86196 0.86361 0.86771 0.87441 0.88269 0.88646 0.88780 0.89170 0.89498 0.89768 0.90063 0.90669 0.90887 0.91636 0.92051 0.93144 0.93783 0.94367 0.94650 0.95196 0.95523 0.96155 0.97502 0.97791 0.98460 0.99396 0.99547 1.00095 1.00917 1.01044 1.01766 1.02334 1.03050 1.03108 1.03261 1.03979 1.04295 1.04907 1.05725 1.05853 1.06345 1.07032 1.07102 1.07532 1.07761 1.09134 1.09495 1.09807 1.10037 1.10448 1.10802 1.11186 1.12040 1.12232 1.13026 1.13509 1.13820 1.14560 1.14635 1.15030 1.15310 1.15545 1.15920 1.16538 1.16743 1.17534 1.17569 1.18288 1.18779 1.19180 1.19289 1.19573 1.19792 1.20233 1.20716 1.21143 1.21334 1.21727 1.21915 1.22824 1.23288 1.23332 1.23800 1.24228 1.24696 1.25047 1.25498 1.25799 1.26235 1.26733 1.26886 1.27423 1.27774 1.28034 1.28744 1.28905 1.29263 1.29589 1.29905 1.30323 1.30601 1.30741 1.31270 1.31904 1.32283 1.32577 1.32792 1.33864 1.33996 1.34118 1.34612 1.35053 1.35555 1.35935 1.36427 1.36950 1.37213 1.37604 1.38417 1.38561 1.39014 1.39719 1.39961 1.40763 1.40941 1.41316 1.41651 1.41776 1.42313 1.42935 1.43129 1.43461 1.43813 1.44282 1.44706 1.45082 1.45279 1.45556 1.46131 1.46582 1.46904 1.47230 1.47727 1.48333 1.48737 1.48896 1.49343 1.49632 1.50517 1.50763 1.51157 1.51285 1.51737 1.52316 1.52649 1.52870 1.53056 1.53727 1.54089 1.54378 1.54787 1.54914 1.55531 1.56316 1.56682 1.57223 1.57738 1.57814 1.58422 1.58778 1.59063 1.59995 1.60262 1.60972 1.61572 1.61829 1.62106 1.62446 1.63392 1.63993 1.64598 1.64781 1.66048 1.66794 1.67272 1.67498 1.68492 1.69088 1.69257 1.70901 1.71212 1.71912 1.72533 1.73928 1.74291 1.75114 1.75960 1.77580 1.77637 1.78224 1.78581 1.79553 1.80833 1.81568 1.82021 1.83381 1.83820 1.84445 1.84824 1.86083 1.86606 1.86646 1.87657 1.88569 1.89152 1.89482 1.90867 1.91793 1.93724 1.94271 1.94595 1.95205 1.95274 1.95825 1.96431 1.97654 1.98643 1.99429 1.99833 2.01403 2.01639 2.02159 2.02436 2.02862 2.03365 2.04312 2.04453 2.05157 2.06401 2.06632 2.07493 2.08202 2.08774 2.10255 2.10935 2.11854 2.12474 2.13048 2.14012 2.14381 2.15088 2.15570 2.15943 2.17265 2.18128 2.18591 2.18709 2.19665 2.19940 2.20521 2.21023 2.22076 2.22746 2.23343 2.23741 2.24673 2.25270 2.27108 2.27591 2.28285 2.29036 2.30269 2.30625 2.32079 2.32422 2.33832 2.34637 2.36111 2.37245 2.37566 2.39156 2.39422 2.40408 2.40615 2.41753 2.42775 2.44512 2.45918 2.46999 2.49800 2.50576 2.51115 2.51373 2.53366 2.55683 2.56788 2.57508 2.59005 2.59899 2.60320 2.61889 2.63689 2.64664 2.65776 2.67196 2.67505 2.68013 2.70367 2.71938 2.73459 2.74424 2.76341 2.76517 2.76999 2.78376 2.79065 2.80456 2.80505 2.81037 2.82225 2.82787 2.83186 2.83754 2.84328 2.85549 2.86142 2.86292 2.87112 2.87256 2.87921 2.88122 2.88479 2.88853 2.89342 2.90053 2.91200 2.91483 2.92028 2.92282 2.92917 2.93472 2.93916 2.94073 2.94708 2.95234 2.95938 2.96039 2.96493 2.97174 2.97473 2.98806 2.99264 2.99483 3.01112 3.01131 3.01442 3.03128 3.03392 3.03551 3.04406 3.05012 3.06219 3.07039 3.07236 3.07374 3.08557 3.09469 3.10265 3.10807 3.11446 3.11868 3.13165 3.13469 3.13937 3.14734 3.15832 3.16082 3.16761 3.16991 3.18515 3.18758 3.19022 3.19555 3.20460 3.21049 3.21691 3.22458 3.23179 3.23764 3.24079 3.24415 3.25569 3.25702 3.26416 3.26943 3.27247 3.27714 3.28623 3.28824 3.29721 3.29942 3.30629 3.31081 3.31651 3.32616 3.32944 3.33883 3.34112 3.34701 3.34849 3.34951 3.35770 3.36738 3.37155 3.37456 3.38810 3.39865 3.40283 3.40583 3.41008 3.41896 3.42325 3.43498 3.44076 3.44508 3.44665 3.45161 3.46265 3.47288 3.47817 3.48909 3.49540 3.50150 3.50337 3.51115 3.52304 3.52773 3.54938 3.55604 3.56223 3.56662 3.57353 3.58069 3.58856 3.59697 3.61092 3.61941 3.63139 3.63629 3.65116 3.66151 3.67027 3.68576 3.69092 3.70350 3.70579 3.71482 3.71875 3.72093 3.74453 3.75297 3.76163 3.77367 3.78251 3.78680 3.79086 3.80149 3.82229 3.83031 3.84444 3.85291 3.85912 3.87370 3.87876 3.87961 3.88771 3.90123 3.91154 3.92524 3.93438 3.93810 3.94227 3.94857 3.95806 3.96840 3.97938 3.98812 3.99998 4.01461 4.02373 4.03197 4.04055 4.07111 4.07620 4.08499 4.09172 4.10358 4.10951 4.12771 4.13385 4.14662 4.15707 4.16359 4.16870 4.18685 4.20924 4.21780 4.22687 4.23140 4.24669 4.26790 4.27235 4.27339 4.28246 4.29434 4.29940 4.30584 4.31418 4.32426 4.32768 4.33163 4.33741 4.35289 4.35615 4.35885 4.36469 4.36634 4.36869 4.37448 4.38060 4.38809 4.39329 4.39823 4.39962 4.40826 4.41614 4.42211 4.42352 4.42821 4.43438 4.44155 4.44833 4.45311 4.45847 4.46611 4.47497 4.48481 4.49782 4.50539 4.51512 4.52800 4.53184 4.54579 4.54950 4.56091 4.56819 4.57107 4.57781 4.58345 4.59680 4.60952 4.61470 4.62201 4.62552 4.63758 4.64052 4.65075 4.65234 4.66054 4.66700 4.67062 4.67675 4.68426 4.69331 4.70182 4.71185 4.71479 4.73200 4.74115 4.74980 4.75973 4.76705 4.77494 4.77844 4.78302 4.79921 4.80306 4.81427 4.82093 4.82402 4.84439 4.84716 4.87714 4.89399 4.93611 4.94416 4.95681 4.96986 4.97716 4.99776 5.00786 5.01741 5.02745 5.04734 5.08835 5.11221 5.14713 5.24272 5.26694 5.29177 5.29566 5.30883 5.31724 5.33349 5.34254 5.34961 5.38026 5.38809 5.40091 5.42334 5.46888 5.47394 5.49210 5.50882 5.52422 5.54091 5.60218 5.62197 5.65955 5.66919 5.69465 5.73560 5.75150 5.76845 5.78164 5.78716 5.80378 5.82508 5.83058 5.84911 5.86392 5.87697 5.88683 5.89810 5.90438 5.90944 5.91912 5.92732 5.93490 5.94037 5.94806 5.96849 5.97797 6.02710 6.10225 6.13981 6.17188 6.39663 6.42638 6.44281 6.48996 6.49889 6.52550 6.53747 6.62268 6.62792 6.65140 6.65725 6.66749 6.73305 6.74417 6.75583 6.76902 6.82769 6.84907 6.86050 6.88069 6.91085 6.91375 6.94046 6.98100 7.07565 7.11276 7.14830 7.15350 7.18707 7.20856 7.21946 7.22777 7.23547 7.23793 7.26012 7.26524 7.27326 7.27450 7.27544 7.28479 7.29734 7.31232 7.31844 7.32454 7.33198 7.34122 7.34920 7.35557 7.36935 7.38184 7.40254 7.41180 7.42346 7.44641 7.45231 7.45476 7.47846 7.48496 7.50108 7.51588 7.53084 7.53439 7.54824 7.55637 7.57357 7.57942 7.59010 7.59941 7.60416 7.62256 7.63863 7.64288 7.65678 7.66564 7.68270 7.68686 7.70106 7.71440 7.73000 7.73475 7.75453 7.77043 7.78219 7.79602 7.80366 7.83144 7.83874 7.86272 7.89039 7.90853 7.92044 7.96353 7.96824 7.97089 7.98342 7.99496 8.00825 8.01550 8.03096 8.04063 8.08955 8.09765 8.12247 8.15293 8.20190 8.21193 8.21953 8.23654 8.26493 8.29565 8.32323 8.32939 8.34294 8.36870 8.37831 8.39635 8.41684 8.44618 8.45147 8.45570 8.49011 8.50259 8.50930 8.57482 8.63796 8.70009 8.75598 8.84530 8.86647 8.97079 8.98767 9.36325 9.41438 10.46323 10.64401 10.73352 11.11224 11.47325 14.46160 14.48611 14.54771 14.56160 14.56950 14.57962 14.89881 15.04885 15.15455 15.18186 19.32838 19.35137 19.37496 19.38746 19.38959 19.39888 19.49623 19.50949 19.74153 19.75968 24.10981 24.17761 24.27644 24.30358 24.34984 24.39566 24.44904 24.48553 24.51996 24.52861 24.94337 24.97307 25.00325 25.00591 25.17319 25.36039 25.38022 25.42358 25.42576 25.78347 25.79327 36.42663 50.28197 50.29951 67.02986 67.04021 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 F F O O N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.584566 -0.592605 -0.740682 -0.694733 -1.020517 -0.219931 1.175855 0.411305 0.427725 -0.588478 -0.411741 -0.418208 -0.659965 0.223231 -0.741245 0.198923 -0.573335 0.718943 1.670746 0.165541 -0.028485 -0.261406 -0.600080 -0.272495 -0.258447 -0.040715 0.143482 0.151350 0.164922 0.166153 0.151915 0.150142 0.162675 0.150229 0.151946 0.162462 0.164725 0.145220 0.168580 0.159605 0.206363 0.176247 0.172749 0.157128 0.158654 0.156035 0.166213 0.168251 0.160318 -0.00000 1.0316 0.6991 1.6311 2.0527 -110.3086 -137.9374 -161.9829 19.8057 0.0742 -1.1759 26.4344 -1.1945 -25.2399 19.8057 0.0742 -1.1759 -200.3362 34.0377 8.2547 5.3817 -52.1337 14.6840 -0.2085 15.2320 -1.2290 1.8209 -10674.9420 -3648.1409 -573.0971 555.2966 -86.1901 227.7291 23.6221 -20.6078 16.7488 -2469.9655 -2316.6550 -750.6320 -14.2587 21.7292 13.4867 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GANDULLAS ALCAMI 2024-08-23T00:00:00.000 0 Single Point Etoxazole CONF6octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1219.4383492 RMSD=3.242e-09 Dipole=-0.400473,-0.2631704,0.6500506 Quadrupole=19.4266746,-0.6358524,-18.7908222,14.8738346,-0.6009913,0.3788112 PG=C01 [X(C21H23F2N1O2)] 0 2.4291953639 2.2802452582 -0.6306028225 0 4.6707932007 -1.7124062634 0.5378457749 0 1.9128613261 -1.2377989749 0.9982210174 0 -2.2025109031 -2.4431003368 -0.2169422676 0 1.3745180766 -0.4675460505 -1.0624718566 0 -4.6791027886 1.893241487 0.2537102298 0 -3.4081681204 1.0590578768 0.0174102372 0 0.2103018485 -1.2746561473 -0.6414107973 0 -1.0295282933 -0.4269985598 -0.432456141 0 -5.9256377927 1.0208401433 0.4802906362 0 -4.9351923956 2.7899395592 -0.9781770678 0 -4.481182993 2.7841455017 1.5003823919 0 -3.4263663369 -0.3424384095 0.0063432298 0 -2.2563041229 -1.0745881848 -0.2115986464 0 -2.1814965072 1.6985798403 -0.1963915638 0 0.6999529694 -1.976439081 0.6537168711 0 -1.0164284833 0.9647467262 -0.415632241 0 2.2058003078 -0.4908155144 -0.1006099178 0 3.4836134711 0.2437352816 -0.0493302184 0 -3.406634694 -3.2033394272 -0.004696265 0 3.5654153498 1.6101931995 -0.3289340586 0 4.6878512466 -0.3819960837 0.2825755944 0 -3.0284225894 -4.6679118105 -0.0613368155 0 4.7515945798 2.3215785641 -0.2862860653 0 5.9002792748 0.281201384 0.3340770765 0 5.9224652957 1.644554866 0.046979685 0 0.0011988855 -2.0195175926 -1.4108802302 0 -6.7956200425 1.6633728109 0.6436253269 0 -5.8197763524 0.3791248234 1.3600895954 0 -6.142005618 0.3867310123 -0.3844860072 0 -5.8382298733 3.3905641537 -0.8275538052 0 -5.0760375651 2.1841186617 -1.878666689 0 -4.1038408654 3.4754937601 -1.1599881699 0 -4.2919643604 2.1742188321 2.389192035 0 -5.3794049013 3.3827909045 1.6837768713 0 -3.6407533917 3.4717395391 1.3780659063 0 -4.3517882371 -0.8721930694 0.1695485106 0 -2.1226586769 2.7804226171 -0.194606234 0 0.0117121675 -1.8998332177 1.4926088952 0 0.9819571705 -3.0176094418 0.4873158819 0 -0.0789460113 1.4824142675 -0.5805738285 0 -3.8333808841 -2.9447797773 0.9707611479 0 -4.1369149457 -2.9535107372 -0.7824080739 0 -2.2983189952 -4.9102891712 0.7156308365 0 -2.6011966172 -4.9214779392 -1.0352412883 0 -3.9181263982 -5.2838985959 0.0967553169 0 4.7451908383 3.3814314792 -0.5065405135 0 6.798714018 -0.266825587 0.5879174549 0 6.8610236827 2.1841708235 0.0828447068