Gaussian 16 GINC-BECERRIL PAULAPLA Optimization bitertanol_RS CONF56 octanol EM64L-G16RevC.01 12-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 90 90 688 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C20H23N3O2)] C1[X(C20H23N3O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 314.2328999999998 0 1 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2512533/Gau-13129.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2512533/" chk=/home/paulapla/almacen/ADAMA/censo_results/bitertanol_RS/octanol/CONF56/opt #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 bitertanol_RS CONF56 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 16 16 14 14 14 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 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 2 2 2 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 (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 1 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 9 9 9 10 10 10 11 11 11 12 12 13 14 14 15 15 16 17 17 17 18 19 20 20 21 21 22 22 23 23 24 24 25 7 37 8 12 4 8 13 16 13 16 7 9 10 11 8 26 27 28 29 30 31 32 33 34 35 36 14 15 38 18 39 19 40 41 18 19 20 42 43 21 22 23 44 24 45 25 46 25 47 48 1.4048 0.9625 1.4026 1.3587 1.3352 1.4433 1.3395 1.3064 1.3075 1.3501 1.5457 1.5308 1.5342 1.5309 1.5464 1.0998 1.0939 1.0924 1.0903 1.0919 1.0894 1.0917 1.0931 1.0917 1.0917 1.0893 1.389 1.3922 1.0793 1.3883 1.0808 1.3813 1.0828 1.0789 1.3915 1.3968 1.4757 1.0829 1.0829 1.396 1.396 1.3869 1.0833 1.3869 1.0832 1.3884 1.0825 1.3883 1.0825 1.0823 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 7 8 4 4 8 3 13 7 7 7 9 9 10 1 1 1 6 6 8 2 2 2 3 3 7 6 6 6 28 28 29 6 6 6 31 31 32 6 6 6 34 34 35 2 2 14 3 3 5 12 12 18 12 12 19 4 4 5 18 18 19 14 14 17 15 15 17 17 17 21 20 20 23 20 20 24 21 21 25 22 22 25 23 23 24 1 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 37 12 8 13 13 16 16 9 10 11 10 11 11 6 8 26 8 26 26 3 7 27 7 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 15 15 5 38 38 18 39 39 19 40 40 5 41 41 19 20 20 17 42 42 17 43 43 21 22 22 23 44 44 24 45 45 25 46 46 25 47 47 24 48 48 109.0243 121.2655 121.0333 109.8118 129.0879 102.6526 102.6813 111.7802 107.2856 112.0775 108.9459 109.2128 107.3828 107.1804 107.658 110.9859 116.1752 107.7528 107.1122 108.8474 105.3353 111.7232 113.5441 107.1664 110.2948 112.7119 112.3148 109.8912 107.7918 106.5393 107.2847 112.6147 110.0403 111.453 107.4554 107.8098 107.2365 112.2099 109.3962 113.3028 107.1352 108.2576 106.19 125.0588 115.3748 119.557 109.9798 123.3568 126.6544 119.5629 122.382 118.0391 120.1694 119.5649 120.2646 114.871 121.9045 123.2245 117.6792 121.2928 121.0273 121.7519 118.2768 119.9577 121.2727 118.7464 119.96 120.8226 120.7432 118.4331 120.7756 119.8376 119.3754 120.7895 119.8189 119.3742 120.2577 119.6533 120.0875 120.2469 119.6445 120.1057 119.4971 120.2536 120.2493 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 37 37 37 12 12 12 8 8 8 13 4 4 4 13 13 13 4 4 8 8 3 3 16 16 13 13 9 9 9 10 10 10 11 11 11 7 7 7 10 10 10 11 11 11 7 7 7 9 9 9 11 11 11 7 7 7 9 9 9 10 10 10 1 1 1 6 6 6 26 26 26 2 2 15 15 2 2 14 14 12 12 39 39 12 12 40 40 19 19 20 20 18 18 20 20 18 18 19 19 17 17 22 22 17 17 21 21 20 20 44 44 20 20 45 45 21 21 46 46 22 22 47 47 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 7 7 7 8 8 8 12 12 4 4 8 8 8 8 8 8 13 13 13 13 16 16 13 13 16 16 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 8 8 8 8 8 8 8 8 8 14 14 14 14 15 15 15 15 18 18 18 18 19 19 19 19 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 25 6 8 26 3 7 27 14 15 16 16 2 7 27 2 7 27 5 38 5 38 5 41 3 38 4 41 1 8 26 1 8 26 1 8 26 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 2 3 27 2 3 27 2 3 27 18 39 18 39 19 40 19 40 17 42 17 42 17 43 17 43 14 42 14 42 15 43 15 43 21 22 21 22 23 44 23 44 24 45 24 45 25 46 25 46 25 47 25 47 24 48 24 48 23 48 23 48 -165.8342 68.506 -48.42 -69.5536 168.3545 48.5918 -13.9734 167.1543 177.6762 0.3931 -61.303 55.6695 177.7147 115.4032 -127.6243 -5.5791 -0.6261 -179.6031 -177.6265 3.3965 -0.045 179.9906 0.5499 179.4849 -0.3171 179.6468 -59.244 61.1372 -178.7552 60.1303 -179.4884 -59.3808 177.7668 -61.8519 58.2557 -63.2915 58.7036 178.0476 178.3189 -59.686 59.658 61.3105 -176.6944 -57.3504 -63.703 176.4399 57.6085 57.4737 -62.3835 178.7852 175.6403 55.7832 -63.0482 -50.1393 -168.8992 72.8386 -174.5672 66.6729 -51.5893 67.4392 -51.3207 -169.5829 -49.9015 -168.9063 70.8025 -170.0258 70.9694 -49.3218 69.5221 -49.4827 -169.7739 -179.4223 -0.908 -0.5935 177.9207 178.9427 -1.4349 0.0038 179.6262 0.4776 179.137 -178.1009 0.5586 0.7262 179.0618 -178.8935 -0.5579 0.2285 -178.4088 -179.4812 1.8815 -0.8319 -179.1476 178.8786 0.563 -139.0165 41.3764 41.2835 -138.3236 -179.5319 1.7054 0.0841 -178.6786 179.5072 1.033 -0.1091 -178.5834 0.021 -179.5259 178.7894 -0.7574 0.0291 -179.3579 178.5101 -0.8769 -0.1025 179.8464 179.4424 -0.6087 0.0776 -179.8712 179.4618 -0.487 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 713 A 688 A 1084 713 2134.9637850910 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=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= 688 RedAO= T EigKep= 1.01D-06 NBF= 688 NBsUse= 685 1.00D-06 EigRej= 7.83D-07 NBFU= 685 Berny optimization. local minimum Step number 15 out of a maximum of 268 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00243 0.00340 0.00355 0.00448 0.00623 0.00834 0.01096 0.01273 0.01604 0.01810 0.01822 0.01867 0.02149 0.02168 0.02185 0.02200 0.02208 0.02223 0.02226 0.02234 0.02237 0.02243 0.02248 0.02249 0.02253 0.02254 0.02277 0.02309 0.02536 0.02621 0.02634 0.03286 0.04034 0.04425 0.04648 0.05068 0.05231 0.05312 0.05383 0.05508 0.05643 0.05661 0.05689 0.06017 0.06486 0.06634 0.08350 0.09345 0.14905 0.15092 0.15381 0.15859 0.15957 0.15992 0.15995 0.15998 0.15999 0.15999 0.16000 0.16000 0.16000 0.16001 0.16003 0.16007 0.16013 0.16034 0.16042 0.16052 0.16117 0.16303 0.16608 0.18597 0.20343 0.21936 0.21996 0.22004 0.22565 0.23096 0.23136 0.23534 0.24193 0.24472 0.24814 0.24977 0.25048 0.25849 0.26774 0.28619 0.29385 0.29621 0.30900 0.33747 0.34060 0.34422 0.34463 0.34559 0.34602 0.34615 0.34685 0.34691 0.34855 0.34874 0.35325 0.35503 0.35602 0.35614 0.35647 0.35656 0.35667 0.35691 0.35706 0.35795 0.36093 0.36137 0.36972 0.38539 0.42570 0.42774 0.42884 0.43138 0.43563 0.45543 0.46655 0.46718 0.47018 0.47380 0.47664 0.47698 0.47849 0.48363 0.49016 0.51114 0.52937 0.54947 0.56156 0.57826 0.61415 0.65569 -2.96399937e-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 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 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 2.70710 1.82531 2.68950 2.61159 2.56922 2.74421 2.54892 2.49273 2.49818 2.57892 2.93734 2.90729 2.91638 2.91213 2.91646 2.07191 2.05938 2.06742 2.06581 2.06735 2.06132 2.06711 2.06941 2.06636 2.06737 2.05984 2.63419 2.63665 2.03836 2.63401 2.04406 2.62405 2.04813 2.03978 2.64707 2.65453 2.80506 2.04860 2.04861 2.65340 2.65357 2.63307 2.04929 2.63301 2.04928 2.63650 2.05004 2.63653 2.05005 2.04945 1.88430 2.09508 2.12658 1.91572 2.24061 1.79009 1.79758 1.94562 1.87444 1.94299 1.90743 1.91537 1.87596 1.88473 1.85210 1.91692 2.03616 1.89505 1.87698 1.90681 1.83266 1.94453 2.00359 1.86505 1.91272 1.95296 1.94390 1.91720 1.89215 1.87177 1.88310 1.95391 1.91267 1.93826 1.88709 1.88684 1.88295 1.94450 1.90300 1.97333 1.88188 1.88933 1.86819 2.17238 2.01556 2.09496 1.91911 2.14445 2.21961 2.08342 2.12039 2.07929 2.09382 2.07708 2.11221 2.00223 2.12761 2.15335 2.05377 2.11480 2.11461 2.12434 2.06833 2.09029 2.11601 2.07523 2.09152 2.11013 2.11018 2.06288 2.11011 2.08801 2.08488 2.11000 2.08818 2.08479 2.09955 2.08791 2.09570 2.09963 2.08777 2.09574 2.08420 2.09962 2.09936 -3.08011 1.00748 -1.01641 -1.16469 2.96109 0.89195 -0.40924 2.75777 3.12518 0.00656 -1.04095 1.01171 3.13634 2.07306 -2.15746 -0.03283 -0.00990 3.13646 -3.12660 0.01976 -0.00125 -3.14148 0.00843 -3.13818 -0.00446 3.13574 -1.19124 0.89124 3.01430 0.89768 2.98016 -1.17996 2.94683 -1.25388 0.86918 -1.19627 0.92476 3.01004 3.01764 -1.14453 0.94076 0.96457 3.08560 -1.11231 -1.13898 3.05054 0.97191 0.97415 -1.11952 3.08504 3.05182 0.95815 -1.12047 -0.90887 -2.98383 1.22356 -3.07125 1.13697 -0.93882 1.13935 -0.93561 -3.01140 -1.01116 -3.10540 1.07930 -3.11111 1.07784 -1.02065 1.03955 -1.05468 3.13001 -3.11840 0.00881 -0.00330 3.12391 3.11454 -0.04003 -0.00286 3.12576 0.00322 3.12244 -3.12433 -0.00511 0.00930 3.11974 -3.11905 -0.00861 0.00295 -3.11600 -3.13525 0.02899 -0.00923 -3.11938 3.12896 0.01881 -2.47019 0.67261 0.67492 -2.46547 -3.14070 0.02170 -0.00028 -3.12106 -3.14052 0.02351 0.00224 -3.11691 -0.00151 -3.13418 3.11931 -0.01336 -0.00243 -3.13373 3.11677 -0.01453 0.00135 -3.14113 3.13398 -0.00851 0.00060 -3.14010 3.13185 -0.00885 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00002 -0.00001 -0.00002 -0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00001 -0.00002 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 0.00001 -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 0.00002 -0.00003 0.00002 0.00001 -0.00003 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00002 -0.00000 0.00003 0.00000 0.00000 -0.00004 -0.00000 0.00002 0.00001 0.00004 -0.00000 -0.00002 -0.00000 -0.00003 -0.00001 0.00001 -0.00000 0.00002 -0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00003 0.00001 -0.00001 0.00018 0.00017 0.00018 -0.00024 -0.00022 0.00008 0.00007 0.00007 0.00012 0.00007 0.00009 0.00014 0.00009 -0.00002 -0.00002 -0.00004 -0.00003 -0.00009 0.00001 -0.00003 -0.00004 0.00008 -0.00002 -0.00010 -0.00010 -0.00012 -0.00008 -0.00008 -0.00009 -0.00007 -0.00008 -0.00009 -0.00006 -0.00004 -0.00005 -0.00009 -0.00007 -0.00007 -0.00008 -0.00006 -0.00007 -0.00007 -0.00006 -0.00007 -0.00005 -0.00005 -0.00005 -0.00007 -0.00007 -0.00007 0.00001 0.00001 0.00002 0.00003 0.00003 0.00004 0.00003 0.00003 0.00004 0.00000 -0.00003 0.00001 -0.00001 -0.00004 -0.00000 0.00001 -0.00002 0.00002 0.00003 0.00005 0.00001 0.00003 -0.00004 -0.00002 -0.00002 -0.00001 -0.00000 -0.00001 -0.00002 -0.00003 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00002 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00002 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00003 0.00003 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -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 0.00002 -0.00006 0.00001 0.00000 -0.00002 0.00000 -0.00000 0.00004 -0.00002 -0.00000 -0.00002 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 0.00003 -0.00003 -0.00001 0.00001 -0.00002 0.00002 0.00001 -0.00002 0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00002 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00035 0.00035 0.00034 0.00008 0.00007 0.00009 -0.00022 -0.00019 -0.00024 -0.00022 -0.00006 -0.00002 -0.00004 -0.00007 -0.00004 -0.00005 0.00010 0.00010 0.00011 0.00012 0.00028 0.00001 0.00007 0.00007 -0.00023 0.00005 0.00014 0.00014 0.00015 0.00013 0.00013 0.00014 0.00011 0.00010 0.00012 -0.00018 -0.00013 -0.00016 -0.00017 -0.00013 -0.00015 -0.00014 -0.00010 -0.00013 -0.00002 -0.00003 -0.00004 0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00002 0.00007 0.00008 0.00008 0.00001 0.00002 0.00002 0.00004 0.00005 0.00005 0.00016 0.00014 0.00013 0.00017 0.00014 0.00014 0.00017 0.00014 0.00014 0.00002 0.00003 0.00000 0.00001 -0.00003 -0.00002 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00002 0.00001 0.00002 -0.00000 0.00000 -0.00001 0.00000 -0.00002 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 -0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00000 -0.00000 0.00003 -0.00001 -0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00005 0.00003 -0.00001 0.00002 -0.00003 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00004 -0.00009 0.00004 0.00001 -0.00005 -0.00000 -0.00000 0.00005 -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 0.00003 -0.00000 0.00000 -0.00004 -0.00001 0.00003 0.00002 0.00007 -0.00003 -0.00002 0.00001 -0.00005 0.00001 0.00001 -0.00003 0.00003 -0.00002 -0.00002 -0.00001 0.00002 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00003 0.00004 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00032 0.00036 0.00033 0.00027 0.00024 0.00027 -0.00046 -0.00042 -0.00016 -0.00016 0.00002 0.00010 0.00004 0.00002 0.00010 0.00004 0.00008 0.00009 0.00007 0.00009 0.00019 0.00002 0.00004 0.00003 -0.00015 0.00003 0.00005 0.00003 0.00003 0.00006 0.00005 0.00005 0.00004 0.00003 0.00003 -0.00024 -0.00018 -0.00021 -0.00026 -0.00019 -0.00022 -0.00023 -0.00016 -0.00019 -0.00009 -0.00009 -0.00011 -0.00004 -0.00005 -0.00006 -0.00008 -0.00008 -0.00010 0.00008 0.00009 0.00010 0.00004 0.00005 0.00006 0.00007 0.00008 0.00009 0.00016 0.00011 0.00014 0.00016 0.00010 0.00014 0.00018 0.00012 0.00015 0.00006 0.00008 0.00002 0.00004 -0.00007 -0.00004 -0.00003 -0.00001 0.00001 -0.00002 -0.00002 -0.00004 0.00002 0.00003 -0.00000 0.00001 -0.00002 0.00001 -0.00004 -0.00001 0.00000 -0.00001 0.00002 0.00001 0.00002 0.00000 -0.00000 -0.00002 -0.00004 -0.00002 -0.00002 -0.00000 0.00004 0.00003 0.00002 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 2.70708 1.82531 2.68950 2.61162 2.56921 2.74420 2.54891 2.49274 2.49820 2.57891 2.93739 2.90732 2.91637 2.91214 2.91643 2.07192 2.05937 2.06743 2.06581 2.06735 2.06132 2.06712 2.06941 2.06636 2.06737 2.05983 2.63419 2.63664 2.03836 2.63400 2.04405 2.62406 2.04813 2.03978 2.64707 2.65452 2.80506 2.04860 2.04861 2.65340 2.65357 2.63307 2.04929 2.63302 2.04928 2.63651 2.05004 2.63653 2.05005 2.04945 1.88434 2.09499 2.12662 1.91573 2.24056 1.79008 1.79758 1.94567 1.87444 1.94299 1.90742 1.91535 1.87594 1.88476 1.85210 1.91692 2.03612 1.89505 1.87700 1.90683 1.83273 1.94450 2.00357 1.86506 1.91267 1.95297 1.94392 1.91718 1.89218 1.87175 1.88309 1.95390 1.91269 1.93827 1.88708 1.88683 1.88295 1.94451 1.90300 1.97333 1.88187 1.88934 1.86819 2.17235 2.01561 2.09495 1.91911 2.14446 2.21961 2.08343 2.12040 2.07927 2.09382 2.07709 2.11220 2.00223 2.12760 2.15335 2.05377 2.11478 2.11463 2.12434 2.06833 2.09030 2.11602 2.07523 2.09152 2.11013 2.11018 2.06287 2.11011 2.08801 2.08488 2.11000 2.08819 2.08478 2.09955 2.08791 2.09570 2.09963 2.08776 2.09575 2.08420 2.09962 2.09937 -3.07978 1.00784 -1.01608 -1.16442 2.96133 0.89222 -0.40969 2.75735 3.12502 0.00640 -1.04094 1.01181 3.13637 2.07308 -2.15736 -0.03280 -0.00983 3.13654 -3.12653 0.01984 -0.00106 -3.14146 0.00847 -3.13816 -0.00462 3.13577 -1.19119 0.89128 3.01434 0.89774 2.98021 -1.17992 2.94687 -1.25385 0.86921 -1.19651 0.92458 3.00983 3.01738 -1.14472 0.94053 0.96435 3.08543 -1.11250 -1.13907 3.05044 0.97180 0.97410 -1.11957 3.08498 3.05175 0.95807 -1.12057 -0.90879 -2.98374 1.22367 -3.07121 1.13702 -0.93875 1.13942 -0.93553 -3.01131 -1.01100 -3.10529 1.07944 -3.11095 1.07794 -1.02051 1.03973 -1.05456 3.13017 -3.11834 0.00889 -0.00329 3.12395 3.11447 -0.04007 -0.00289 3.12576 0.00323 3.12242 -3.12435 -0.00515 0.00932 3.11977 -3.11905 -0.00860 0.00293 -3.11599 -3.13528 0.02898 -0.00923 -3.11939 3.12899 0.01882 -2.47017 0.67261 0.67492 -2.46549 -3.14074 0.02168 -0.00030 -3.12107 -3.14048 0.02354 0.00226 -3.11690 -0.00150 -3.13416 3.11930 -0.01336 -0.00243 -3.13374 3.11677 -0.01453 0.00136 -3.14113 3.13398 -0.00851 0.00059 -3.14011 3.13185 -0.00885 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000003 0.001594 0.000347 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.481504e-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 1 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 9 9 9 10 10 10 11 11 11 12 12 13 14 14 15 15 16 17 17 17 18 19 20 20 21 21 22 22 23 23 24 24 25 7 37 8 12 4 8 13 16 13 16 7 9 10 11 8 26 27 28 29 30 31 32 33 34 35 36 14 15 38 18 39 19 40 41 18 19 20 42 43 21 22 23 44 24 45 25 46 25 47 48 1.4325 0.9659 1.4232 1.382 1.3596 1.4522 1.3488 1.3191 1.322 1.3647 1.5544 1.5385 1.5433 1.541 1.5433 1.0964 1.0898 1.094 1.0932 1.094 1.0908 1.0939 1.0951 1.0935 1.094 1.09 1.394 1.3953 1.0787 1.3939 1.0817 1.3886 1.0838 1.0794 1.4008 1.4047 1.4844 1.0841 1.0841 1.4041 1.4042 1.3934 1.0844 1.3933 1.0844 1.3952 1.0848 1.3952 1.0848 1.0845 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 7 8 4 4 8 3 13 7 7 7 9 9 10 1 1 1 6 6 8 2 2 2 3 3 7 6 6 6 28 28 29 6 6 6 31 31 32 6 6 6 34 34 35 2 2 14 3 3 5 12 12 18 12 12 19 4 4 5 18 18 19 14 14 17 15 15 17 17 17 21 20 20 23 20 20 24 21 21 25 22 22 25 23 23 24 1 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 37 12 8 13 13 16 16 9 10 11 10 11 11 6 8 26 8 26 26 3 7 27 7 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 15 15 5 38 38 18 39 39 19 40 40 5 41 41 19 20 20 17 42 42 17 43 43 21 22 22 23 44 44 24 45 45 25 46 46 25 47 47 24 48 48 107.9623 120.0395 121.8441 109.7629 128.3775 102.5644 102.9938 111.4761 107.3974 111.3254 109.2879 109.7424 107.4844 107.9873 106.1177 109.8314 116.6636 108.5786 107.5428 109.2521 105.0037 111.4131 114.7975 106.8595 109.5905 111.8962 111.3773 109.8477 108.412 107.2446 107.8938 111.9508 109.588 111.0543 108.1221 108.1078 107.8853 111.4117 109.034 113.0635 107.8236 108.2504 107.0396 124.4685 115.4832 120.0324 109.957 122.8681 127.1743 119.3712 121.4894 119.1343 119.967 119.0082 121.0205 114.7191 121.9033 123.3776 117.6725 121.1691 121.1581 121.716 118.5066 119.7651 121.2385 118.9022 119.8353 120.9014 120.9041 118.1944 120.9003 119.6342 119.4548 120.8941 119.6439 119.4497 120.2951 119.6283 120.0746 120.3 119.6201 120.0772 119.4158 120.2994 120.2847 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 37 37 37 12 12 12 8 8 8 13 4 4 4 13 13 13 4 4 8 8 3 3 16 16 13 13 9 9 9 10 10 10 11 11 11 7 7 7 10 10 10 11 11 11 7 7 7 9 9 9 11 11 11 7 7 7 9 9 9 10 10 10 1 1 1 6 6 6 26 26 26 2 2 15 15 2 2 14 14 12 12 39 39 12 12 40 40 19 19 20 20 18 18 20 20 18 18 19 19 17 17 22 22 17 17 21 21 20 20 44 44 20 20 45 45 21 21 46 46 22 22 47 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 7 7 7 8 8 8 12 12 4 4 8 8 8 8 8 8 13 13 13 13 16 16 13 13 16 16 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 8 8 8 8 8 8 8 8 8 14 14 14 14 15 15 15 15 18 18 18 18 19 19 19 19 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 6 8 26 3 7 27 14 15 16 16 2 7 27 2 7 27 5 38 5 38 5 41 3 38 4 41 1 8 26 1 8 26 1 8 26 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 2 3 27 2 3 27 2 3 27 18 39 18 39 19 40 19 40 17 42 17 42 17 43 17 43 14 42 14 42 15 43 15 43 21 22 21 22 23 44 23 44 24 45 24 45 25 46 25 46 25 47 25 47 24 48 24 48 23 48 23 -176.4771 57.7244 -58.2357 -66.7316 169.658 51.1048 -23.4475 158.0084 179.0595 0.3756 -59.6422 57.9665 179.6988 118.7777 -123.6136 -1.8812 -0.5673 179.7058 -179.1411 1.132 -0.0719 -179.9935 0.4832 -179.8047 -0.2558 179.6645 -68.2528 51.0645 172.7068 51.4335 170.7508 -67.6069 168.8408 -71.8419 49.8004 -68.541 52.9846 172.4625 172.8978 -65.5766 53.9013 55.266 176.7917 -63.7304 -65.2587 174.7829 55.6864 55.8145 -64.1439 176.7596 174.8566 54.8982 -64.1983 -52.0745 -170.9611 70.105 -175.9697 65.1437 -53.7902 65.2801 -53.6065 -172.5404 -57.9353 -177.9263 61.8391 -178.2533 61.7557 -58.4789 59.562 -60.4289 179.3365 -178.6711 0.5049 -0.1892 178.9868 178.4499 -2.2933 -0.1637 179.0931 0.1845 178.9026 -179.0111 -0.2929 0.5331 178.7482 -178.7084 -0.4933 0.1688 -178.5336 -179.6364 1.6612 -0.5289 -178.7275 179.2764 1.0777 -141.5312 38.5376 38.6703 -141.2608 -179.9491 1.2433 -0.0162 -178.8237 -179.9385 1.347 0.1286 -178.586 -0.0866 -179.575 178.7231 -0.7653 -0.1391 -179.5495 178.5779 -0.8325 0.0774 -179.9735 179.5636 -0.4873 0.0343 -179.9147 179.442 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0529602150 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.603989 0.000000 3.676496 2.314793 0.000000 4.229159 2.879814 1.335178 0.000000 5.813771 4.303479 2.168050 2.238964 0.000000 2.375972 3.768974 3.216318 3.791772 4.865687 0.000000 1.404792 2.346428 2.501538 3.008049 4.550033 1.545659 0.000000 2.383844 1.402552 1.443328 2.419272 3.575674 2.624719 1.546402 0.000000 2.874805 4.299408 3.912334 4.838362 5.464573 1.530780 2.547193 3.139841 0.000000 2.797888 4.811943 4.551365 4.844802 6.176330 1.534179 2.480316 3.916607 2.494390 0.000000 3.748396 4.443693 3.027378 3.394714 4.036276 1.530931 2.551784 3.152633 2.495883 2.469986 0.000000 3.812364 1.358690 2.954932 3.571920 4.509843 4.967140 3.646821 2.406502 5.274194 6.112504 5.532254 0.000000 4.813249 3.397020 1.339477 2.188428 1.307455 4.005323 3.651414 2.513034 4.398762 5.444547 3.482289 3.649325 0.000000 4.626607 2.437924 3.218270 4.117154 4.345974 5.404871 4.356599 2.899097 5.407980 6.733857 5.824999 1.389003 3.403307 0.000000 4.624595 2.324957 4.095283 4.381219 5.493769 6.092806 4.645131 3.627639 6.513258 7.075151 6.700407 1.392188 4.833773 2.403189 0.000000 5.452862 3.983316 2.062385 1.306376 1.350100 4.691397 4.171871 3.449591 5.624769 5.800204 3.930024 4.398734 2.075385 4.645203 5.190461 0.000000 6.496908 4.161220 5.308643 5.840172 6.097732 7.672148 6.434855 5.090928 7.754110 8.885563 8.124472 2.806062 5.481175 2.428414 2.421157 6.248806 0.000000 5.920007 3.678183 4.464437 5.237702 5.213309 6.790016 5.730225 4.280016 6.726419 8.117002 7.171044 2.399939 4.453161 1.388344 2.760764 5.590097 1.391534 0.000000 5.912119 3.603586 5.130476 5.450035 6.202161 7.341500 5.947295 4.798501 7.631945 8.395031 7.891871 2.403922 5.618916 2.771563 1.381251 6.053626 1.396804 2.386044 0.000000 7.945473 5.636456 6.684083 7.181033 7.228248 9.119770 7.906560 6.543254 9.136880 10.352078 9.534588 4.281735 6.714933 3.782282 3.773712 7.456843 1.475736 2.499485 2.500771 0.000000 8.605666 6.450673 7.794617 8.250702 8.508882 10.035786 8.749916 7.500231 10.046178 11.170298 10.586357 5.143279 7.959262 4.855419 4.379016 8.635604 2.497577 3.673394 3.031060 1.396032 0.000000 8.859182 6.475187 7.110947 7.611868 7.256842 9.756204 8.655359 7.193522 9.731495 11.085782 9.993368 5.132878 6.884728 4.381249 4.838764 7.657213 2.496539 3.031963 3.671728 1.395966 2.398627 0.000000 9.984597 7.819506 9.066276 9.507707 9.616655 11.381271 10.117087 8.836883 11.352356 12.540318 11.892414 6.498771 9.134212 6.118998 5.743527 9.799871 3.773094 4.848731 4.378283 2.419480 1.386926 2.770589 0.000000 10.203989 7.839776 8.485710 8.958907 8.528809 11.135607 10.035474 8.578167 11.075007 12.465163 11.367821 6.490592 8.214884 5.750125 6.101287 8.949609 3.772499 4.383005 4.843905 2.419588 2.770846 1.386925 2.398586 0.000000 10.717178 8.436546 9.377417 9.828756 9.630970 11.887965 10.703439 9.320545 11.827449 13.142502 12.253852 7.082404 9.252515 6.501486 6.487832 9.945249 4.276548 5.141480 5.135158 2.800837 2.406605 2.406422 1.388386 1.388325 0.000000 2.071121 2.638439 2.652181 2.626065 4.539886 2.152945 1.099770 2.145154 3.477398 2.672237 2.753189 3.970940 3.912661 4.870581 4.761373 3.851074 6.756574 6.199213 6.111925 8.225849 9.052437 8.982900 10.419842 10.359486 11.017888 0.000000 2.733671 2.073524 2.052271 3.288704 3.872084 2.814483 2.182077 1.093904 2.754927 4.226058 3.401347 2.670841 2.612724 2.685783 4.024662 4.099676 5.059817 4.041580 5.023000 6.453538 7.438965 7.037258 8.740446 8.401335 9.172388 3.056125 0.000000 3.319908 4.080461 3.519559 4.644475 4.906071 2.197261 2.855958 2.868530 1.092414 3.471321 2.782151 4.833723 3.749424 4.714241 6.162420 5.292881 7.108244 5.973858 7.159927 8.436232 9.415232 8.929193 10.679372 10.253614 11.064852 3.846646 2.180832 0.000000 2.575361 4.381477 4.546303 5.486449 6.299134 2.190747 2.813371 3.485792 1.090271 2.759171 3.466127 5.325571 5.157842 5.529248 6.470649 6.402299 7.750281 6.802399 7.575275 9.118026 9.906235 9.825479 11.217310 11.146232 11.791010 3.803800 3.055798 1.763495 0.000000 3.852198 5.362332 4.729747 5.591473 6.020122 2.161672 3.491348 4.144990 1.091874 2.723303 2.707714 6.330753 5.055099 6.390362 7.589056 6.248781 8.768076 7.686085 8.696046 10.129179 11.068062 10.661052 12.356505 11.993468 12.787186 4.295186 3.748491 1.750617 1.757352 0.000000 2.511997 4.926713 5.141450 5.514944 6.958339 2.196775 2.773775 4.239228 2.746772 1.089387 3.447623 6.205975 6.113574 6.887752 7.081719 6.580846 8.939031 8.239147 8.394101 10.394554 11.102989 11.229262 12.478158 12.590729 13.171695 3.088389 4.476897 3.775995 2.562475 3.061002 0.000000 3.809709 5.783864 5.260724 5.576929 6.655084 2.166453 3.443391 4.761892 2.748992 1.091737 2.664135 7.048944 5.977895 7.553098 8.079435 6.383582 9.789717 8.936674 9.377320 11.245008 12.107225 11.915716 13.465937 13.294098 14.020689 3.661214 4.941623 3.752100 3.121120 2.523840 1.758454 0.000000 3.154015 4.930992 4.641011 4.625977 6.189423 2.185238 2.707777 4.178478 3.462120 1.093101 2.746036 6.278344 5.636586 7.051098 7.110313 5.592202 9.083609 8.424738 8.469570 10.558881 11.362866 11.310556 12.739632 12.693020 13.358944 2.433693 4.727863 4.339716 3.767622 3.739042 1.763539 1.758976 0.000000 4.044485 4.507686 3.014708 2.924712 3.869560 2.190710 2.755145 3.389712 3.465491 2.792682 1.091740 5.633339 3.605899 6.088619 6.666493 3.438837 8.244458 7.412940 7.890398 9.658345 10.702424 10.125584 12.011075 11.500076 12.380196 2.507736 3.927873 3.769717 4.338483 3.744238 3.813454 3.099440 2.622720 0.000000 4.518876 5.496570 4.079612 4.418503 4.840266 2.155382 3.482738 4.190821 2.778088 2.617373 1.091709 6.584278 4.371535 6.813942 7.771690 4.818338 9.153495 8.150365 8.958577 10.551623 11.613685 10.976725 12.912510 12.342835 13.252462 3.689501 4.312590 3.196128 3.759266 2.541611 3.628863 2.341899 2.974507 1.756712 0.000000 4.193726 4.358425 2.581612 3.182583 3.250912 2.202178 2.944912 2.990032 2.715232 3.447143 1.089258 5.242500 2.651744 5.301183 6.496141 3.471496 7.636000 6.583668 7.571758 8.988585 10.120975 9.324190 11.380928 10.678651 11.638951 3.287332 3.047649 2.555472 3.756473 2.970187 4.332451 3.638183 3.794248 1.767342 1.743972 0.000000 0.962455 2.299183 3.871370 4.265040 6.029596 3.216367 1.944534 2.608122 3.809743 3.571840 4.462424 3.448765 5.095429 4.478780 4.008636 5.544493 6.065684 5.683821 5.317609 7.499961 8.064284 8.504236 9.448912 9.827118 10.255645 2.259279 3.129595 4.151468 3.493318 4.807004 3.254131 4.631218 3.709836 4.591089 5.310225 4.868333 0.000000 5.062840 3.789861 2.132781 3.216450 2.135184 4.234898 4.050927 2.851973 4.241063 5.752079 3.829398 3.879723 1.079253 3.286844 5.164036 3.133610 5.468188 4.260228 5.825243 6.631937 7.898444 6.725284 9.032210 8.026628 9.094384 4.552814 2.507150 3.384144 4.966904 4.841383 6.352012 6.205715 6.128226 4.220155 4.600219 2.874445 5.435134 0.000000 4.538964 2.755572 2.938154 4.075658 3.973873 4.916640 4.139568 2.671532 4.730583 6.343968 5.248121 2.169221 2.869390 1.080815 3.399380 4.511443 3.387700 2.122827 3.851243 4.621974 5.747207 5.029339 6.949624 6.368942 7.221777 4.802470 2.125529 3.905799 4.949676 5.634325 6.566180 7.052940 6.777855 5.658257 6.160567 4.614550 4.618750 2.474757 0.000000 4.495927 2.525077 4.432702 4.478833 5.952708 6.144204 4.616945 3.909516 6.744569 6.928844 6.815799 2.144362 5.371770 3.382815 1.082816 5.415053 3.400905 3.843539 2.141946 4.641450 5.058774 5.756794 6.394885 6.960105 7.239086 4.541839 4.506058 6.560655 6.658745 7.822024 6.883136 7.981990 6.833155 6.665109 7.883693 6.772376 3.726401 5.841623 4.298622 0.000000 6.288271 4.845094 3.102738 2.088139 2.140770 5.514003 5.012869 4.434880 6.562108 6.469060 4.650559 5.239334 3.115933 5.562040 5.851353 1.078865 6.929976 6.404712 6.662834 8.062751 9.217663 8.212413 10.334861 9.449101 10.444065 4.514267 5.152951 6.300755 7.354545 7.134543 7.289276 7.020063 6.112268 3.974007 5.449889 4.295716 6.318754 4.144729 5.517037 5.968971 0.000000 6.656804 4.557267 5.022765 5.896215 5.488754 7.314525 6.418347 4.934390 7.083520 8.712937 7.608559 3.371043 4.745299 2.127092 3.843336 6.089278 2.147998 1.082870 3.375287 2.718268 3.944666 2.816291 4.913682 4.064195 4.968339 6.970514 4.512644 6.216776 7.197085 7.964457 8.867460 9.453001 9.101683 7.938544 8.523406 6.908637 6.528599 4.342170 2.409416 4.926120 6.918235 0.000000 6.654466 4.450472 6.048187 6.216587 7.079431 8.217657 6.765937 5.726372 8.580903 9.177870 8.792527 3.377028 6.589970 3.854251 2.125868 6.817979 2.152805 3.374598 1.082919 2.717960 2.806734 3.943105 4.048745 4.905276 4.953686 6.829021 6.030802 8.167188 8.481898 9.656760 9.133267 10.194267 9.177400 8.718004 9.869287 8.528528 5.960130 6.860322 4.934126 2.447855 7.318262 4.282412 0.000000 8.162712 6.179343 7.793912 8.231503 8.757779 9.797164 8.455020 7.336240 9.835332 10.826248 10.477630 4.962555 8.130866 4.912116 4.053003 8.768526 2.711220 3.935890 2.807507 2.151122 1.083297 3.384494 2.138011 3.853947 3.383264 8.743249 7.326379 9.299580 9.601914 10.884191 10.670533 11.798363 11.002258 10.586913 11.509715 10.114232 7.552056 8.119071 5.860140 4.582016 9.370050 4.403243 2.415113 0.000000 8.638506 6.223722 6.518686 7.034985 6.428142 9.283883 8.280963 6.767404 9.265020 10.673587 9.381541 4.942529 6.131663 4.045810 4.890999 6.943304 2.709063 2.805884 3.934610 2.150807 3.384304 1.083228 3.853577 2.137941 3.383005 8.610250 6.588387 8.413979 9.466895 10.145673 10.909667 11.449888 10.904796 9.516088 10.336237 8.641253 8.371998 5.944847 4.543321 5.860883 7.496930 2.425381 4.405452 4.286312 0.000000 10.583561 8.528690 9.932472 10.353414 10.590913 12.123786 10.822613 9.615461 12.092961 13.217388 12.716843 7.248661 10.080649 6.976677 6.391106 10.713847 4.636673 5.764002 5.052268 3.396056 2.140339 3.853076 1.082527 3.381945 2.146258 11.114508 9.537118 11.466532 11.885646 13.112125 13.087048 14.167005 13.407218 12.831208 13.741759 12.256632 9.997684 9.993953 7.834227 6.931135 11.240220 5.882057 4.568176 2.453929 4.936099 0.000000 10.951854 8.561242 8.969366 9.436165 8.769147 11.710990 10.686446 9.188316 11.628657 13.090873 11.830221 7.235160 8.552786 6.394147 6.955166 9.287525 4.635549 5.057337 5.758151 3.396044 3.853327 2.140248 3.382079 1.082531 2.146397 11.011921 8.979337 10.755029 11.770110 12.500254 13.279632 13.875851 13.327614 11.965471 12.774468 11.072449 10.628757 8.324446 6.900820 7.839232 9.744478 4.586747 5.873664 4.936467 2.453744 4.280117 0.000000 11.792117 9.518658 10.433271 10.872108 10.611618 12.961623 11.784801 10.397233 12.880225 14.222046 13.313795 8.164672 10.269805 7.568460 7.553360 10.946895 5.358860 6.200175 6.192112 3.883157 3.388147 3.387978 2.147841 2.147740 1.082321 12.097761 10.235195 12.101872 12.839094 13.829942 14.247572 15.095990 14.441024 13.440584 14.306590 12.680592 11.326531 10.093527 8.262088 8.278038 11.414758 5.964667 5.946677 4.276038 4.275791 2.476406 2.476565 0.000000 C20H23N3O2 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5431604 0.0935533 0.0864781 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.666210 0.000000 3.709560 2.344631 0.000000 4.370595 2.921262 1.359574 0.000000 5.846020 4.370679 2.187279 2.260088 0.000000 2.417326 3.800674 3.171154 3.747841 4.772771 0.000000 1.432534 2.354712 2.524006 3.084560 4.579614 1.554373 0.000000 2.379397 1.423221 1.452173 2.457765 3.601051 2.636465 1.543324 0.000000 3.002370 4.342201 3.640844 4.596317 5.017982 1.538469 2.556164 3.060596 0.000000 2.750649 4.831210 4.604854 4.981599 6.229586 1.543284 2.496457 3.926291 2.513393 0.000000 3.780760 4.476314 3.080791 3.273817 4.066339 1.541032 2.555983 3.257324 2.518604 2.487081 0.000000 3.881236 1.381995 2.956870 3.565518 4.544889 5.021266 3.672268 2.429958 5.321315 6.147690 5.615304 0.000000 4.789786 3.450021 1.348830 2.215384 1.321981 3.928292 3.653270 2.521958 3.986269 5.453886 3.615856 3.683691 0.000000 4.576649 2.456330 3.276806 4.184350 4.467582 5.460795 4.362100 2.924806 5.384608 6.731040 6.040044 1.393953 3.508749 0.000000 4.802634 2.348590 4.027462 4.262150 5.423418 6.140590 4.683436 3.639203 6.610646 7.139038 6.672038 1.395253 4.793752 2.415918 0.000000 5.567728 4.047314 2.090150 1.319098 1.364703 4.616333 4.237892 3.489517 5.267656 5.921628 3.825372 4.415208 2.102699 4.747549 5.080335 0.000000 6.570614 4.192811 5.284443 5.783372 6.081180 7.733983 6.465506 5.112880 7.799825 8.923673 8.234335 2.814038 5.485645 2.440871 2.434037 6.199282 0.000000 5.900006 3.703910 4.492645 5.262857 5.291666 6.849888 5.744014 4.304061 6.715542 8.123049 7.376006 2.406631 4.523558 1.393859 2.775913 5.643210 1.400767 0.000000 6.072295 3.633832 5.064974 5.327539 6.119832 7.397859 5.988260 4.814888 7.725244 8.458946 7.898019 2.410477 5.576773 2.786518 1.388586 5.928600 1.404715 2.400629 0.000000 8.025410 5.676831 6.661972 7.121002 7.203272 9.188750 7.944647 6.571448 9.184929 10.396342 9.657833 4.298388 6.717769 3.801485 3.795747 7.397210 1.484373 2.513527 2.516799 0.000000 8.747107 6.494978 7.772216 8.159439 8.465154 10.153184 8.815512 7.551775 10.217855 11.254496 10.708908 5.165514 7.967384 4.890491 4.396369 8.536759 2.513103 3.706336 3.038636 1.404119 0.000000 8.889502 6.525633 7.101300 7.595467 7.257974 9.787050 8.678562 7.209918 9.657645 11.101214 10.133967 5.158696 6.889841 4.395997 4.879781 7.646151 2.513214 3.036004 3.708759 1.404210 2.409658 0.000000 10.122560 7.870989 9.048330 9.423058 9.574257 11.498562 10.185326 8.890804 11.511342 12.625068 12.025249 6.527763 9.143910 6.157132 5.771367 9.704566 3.795144 4.883260 4.398248 2.433608 1.393360 2.783430 0.000000 10.245495 7.896278 8.479232 8.939726 8.526168 11.176436 10.066922 8.602249 11.016699 12.488414 11.516324 6.522328 8.222272 5.771880 6.147797 8.931925 3.795160 4.395810 4.885561 2.433588 2.783333 1.393331 2.409388 0.000000 10.809685 8.494741 9.367612 9.777830 9.608021 11.970837 10.756939 9.363065 11.880934 13.199611 12.399855 7.116613 9.262955 6.534794 6.529855 9.887736 4.302616 5.168565 5.171007 2.818243 2.418528 2.418575 1.395178 1.395193 0.000000 2.078452 2.560129 2.763170 2.809415 4.710619 2.168905 1.096410 2.145701 3.488158 2.770671 2.699400 3.920074 4.032930 4.854418 4.675479 4.052770 6.714519 6.180702 6.040565 8.193421 9.000662 8.986513 10.379080 10.366917 11.005313 0.000000 2.633237 2.084629 2.052896 3.317929 3.881085 2.878357 2.167330 1.089779 2.715747 4.206375 3.670179 2.692781 2.605914 2.687769 4.057264 4.125979 5.086683 4.052010 5.058875 6.486253 7.521225 7.028507 8.820118 8.403572 9.216857 3.050824 0.000000 3.543103 4.193124 3.134304 4.242064 4.239330 2.195261 2.894184 2.831409 1.094034 3.481386 2.746378 4.962128 3.163413 4.808878 6.313441 4.722973 7.242521 6.075738 7.316241 8.572809 9.693720 8.919074 10.942576 10.262261 11.205599 3.832269 2.298761 0.000000 2.661240 4.320670 4.172590 5.224188 5.763300 2.188150 2.763277 3.254748 1.093178 2.813944 3.482488 5.238597 4.604034 5.267194 6.514921 6.016439 7.644486 6.564773 7.593318 9.010025 9.961939 9.555682 11.252254 10.893619 11.682786 3.796581 2.730922 1.774102 0.000000 3.921025 5.418293 4.532353 5.390695 5.632429 2.169468 3.499647 4.113627 1.093994 2.696161 2.783630 6.404203 4.729613 6.422704 7.695184 5.933099 8.850960 7.729840 8.806919 10.217358 11.275270 10.633173 12.554401 11.980631 12.883730 4.314772 3.777975 1.761635 1.768267 0.000000 2.460461 4.943778 5.141669 5.664849 6.937742 2.197758 2.793493 4.194391 2.743909 1.090804 3.460308 6.218395 6.020017 6.778291 7.196509 6.689588 8.940774 8.145278 8.490268 10.397653 11.179904 11.166788 12.548292 12.536226 13.180637 3.226192 4.327398 3.790484 2.603154 2.979934 0.000000 3.790766 5.807786 5.278547 5.639389 6.642312 2.170299 3.456325 4.774611 2.777240 1.093870 2.666751 7.093672 5.951402 7.577994 8.137690 6.420077 9.841309 8.968914 9.440553 11.303569 12.215106 11.935794 13.574015 13.323010 14.092596 3.733244 4.960065 3.745971 3.221096 2.509617 1.768806 0.000000 3.020263 4.913973 4.813654 4.908549 6.451518 2.189799 2.702299 4.213387 3.477614 1.095083 2.766899 6.286889 5.812669 7.062463 7.112080 5.913328 9.100312 8.440992 8.479233 10.584527 11.379030 11.360252 12.764282 12.747487 13.402571 2.527636 4.730218 4.344213 3.798691 3.729931 1.769630 1.769612 0.000000 4.018863 4.539144 3.291561 3.043789 4.267089 2.191069 2.756519 3.557906 3.482124 2.780016 1.093470 5.730869 4.030408 6.363442 6.609289 3.673344 8.379990 7.677328 7.880630 9.811958 10.801196 10.357382 12.129921 11.736743 12.564201 2.442807 4.228950 3.749287 4.340166 3.800378 3.804753 3.066120 2.611393 0.000000 4.551719 5.529025 4.090786 4.286594 4.794755 2.161312 3.491507 4.269044 2.784191 2.646974 1.094007 6.661479 4.429282 7.006592 7.750982 4.668146 9.255688 8.337585 8.967422 10.666732 11.742678 11.093513 13.049783 12.468923 13.389477 3.673439 4.540350 3.118134 3.793954 2.602137 3.648437 2.357156 3.027480 1.767724 0.000000 4.247537 4.366077 2.494446 2.782833 3.070122 2.208848 2.920911 3.076231 2.752386 3.466021 1.090019 5.310492 2.705430 5.564991 6.412289 3.051258 7.741364 6.830010 7.532619 9.109728 10.243127 9.462549 11.514510 10.826168 11.785254 3.157342 3.402656 2.528047 3.763261 3.101407 4.344496 3.657985 3.804435 1.769281 1.756094 0.000000 0.965912 2.232135 3.861724 4.429224 6.048674 3.259990 1.959231 2.499654 3.877444 3.620746 4.486418 3.361028 5.020739 4.232263 4.091436 5.684102 5.976484 5.471318 5.360115 7.417174 8.036354 8.383484 9.418997 9.716524 10.187075 2.308729 2.869440 4.276599 3.508883 4.845531 3.327522 4.690779 3.704680 4.586830 5.349751 4.863638 0.000000 4.963708 3.830994 2.135891 3.241484 2.152761 4.167345 4.021925 2.845372 3.814570 5.706742 4.077409 3.920052 1.078655 3.390586 5.154917 3.161305 5.500329 4.342803 5.820126 6.665837 7.958253 6.737647 9.091966 8.045223 9.136855 4.632042 2.485395 2.824381 4.318823 4.519494 6.152916 6.150525 6.237973 4.703809 4.769862 3.190154 5.249870 0.000000 4.371715 2.749687 3.053174 4.210872 4.191528 4.958304 4.109857 2.685661 4.630988 6.292591 5.561394 2.165243 3.060589 1.081668 3.405717 4.701173 3.409229 2.140307 3.867855 4.653289 5.799304 5.050581 7.004936 6.398402 7.267994 4.795616 2.092214 3.957125 4.521571 5.616575 6.342932 7.044962 6.771785 6.054097 6.439300 5.043563 4.247505 2.665521 0.000000 4.749675 2.533599 4.321726 4.292865 5.822747 6.170683 4.652455 3.902702 6.864798 7.004653 6.675610 2.141974 5.285873 3.390989 1.083824 5.234392 3.419754 3.859554 2.157317 4.672420 5.083105 5.809913 6.431919 7.020800 7.293961 4.416104 4.531545 6.706539 6.797286 7.933321 7.078684 8.036709 6.817298 6.452334 7.762733 6.546965 3.962916 5.794079 4.295385 0.000000 6.438527 4.911136 3.131814 2.100023 2.156005 5.435672 5.093034 4.478699 6.203662 6.623392 4.475668 5.251755 3.143635 5.663436 5.721720 1.079405 6.862234 6.453573 6.509480 7.978909 9.074531 8.194831 10.193862 9.420262 10.356266 4.736592 5.181579 5.710500 6.996960 6.800927 7.458795 7.072199 6.487487 4.128868 5.228494 3.776214 6.522644 4.173739 5.708265 5.760233 0.000000 6.584190 4.584250 5.084901 5.965624 5.626232 7.381335 6.428038 4.965075 7.041045 8.703521 7.891891 3.380966 4.860686 2.135504 3.859737 6.198249 2.155249 1.084072 3.389513 2.727318 3.980536 2.798917 4.948589 4.058555 4.986831 6.972658 4.521111 6.303874 6.873844 7.990975 8.711598 9.479921 9.123915 8.303127 8.785316 7.270868 6.250543 4.468534 2.437880 4.943344 7.027591 0.000000 6.868306 4.483220 5.956516 6.047340 6.944426 8.272198 6.815469 5.740355 8.699809 9.260535 8.740035 3.385967 6.514457 3.870318 2.135063 6.631714 2.159554 3.389367 1.084076 2.732130 2.801565 3.985259 4.061314 4.953061 4.990673 6.746334 6.071436 8.332684 8.568648 9.784496 9.289706 10.267446 9.187881 8.625836 9.823914 8.408870 6.087893 6.830478 4.951780 2.471177 7.088848 4.296228 0.000000 8.350907 6.217749 7.767029 8.113602 8.700692 9.948197 8.536555 7.400374 10.105857 10.937916 10.589399 4.980855 8.140343 4.952365 4.055236 8.641065 2.722957 3.975413 2.795655 2.157167 1.084438 3.395935 2.145578 3.867593 3.396529 8.666484 7.443270 9.689107 9.795750 11.184072 10.807505 11.941112 11.001869 10.626996 11.640436 10.226478 7.567441 8.194196 5.920174 4.586898 9.186077 4.451560 2.374815 0.000000 8.621737 6.274451 6.516549 7.057471 6.457460 9.274099 8.284394 6.766688 9.079676 10.658930 9.525062 4.968296 6.136877 4.049772 4.937538 6.981316 2.723285 2.794158 3.977106 2.157345 3.395945 1.084431 3.867641 2.145490 3.396499 8.637296 6.536082 8.265506 9.058486 10.009585 10.790749 11.430691 10.967803 9.801528 10.442442 8.780407 8.217495 5.931499 4.547104 5.919986 7.548139 2.375903 4.455724 4.298087 0.000000 10.754181 8.579223 9.911964 10.249320 10.536444 12.266782 10.903642 9.679338 12.323026 13.323481 12.845952 7.277885 10.091104 7.019976 6.414241 10.594883 4.659660 5.804524 5.066960 3.411674 2.147758 3.868228 1.084834 3.394968 2.154144 11.059530 9.641085 11.809941 12.017121 13.379705 13.200167 14.302613 13.422490 12.913329 13.884237 12.387766 9.997951 10.065587 7.897366 6.961699 11.063879 5.926928 4.570942 2.462963 4.952468 0.000000 10.961722 8.620391 8.968773 9.442345 8.782836 11.724970 10.706295 9.203165 11.491519 13.093046 11.985171 7.269133 8.560186 6.411802 7.008266 9.300254 4.659658 5.064888 5.806427 3.411633 3.868129 2.147650 3.394982 1.084840 2.154190 11.038202 8.955384 10.668414 11.416778 12.409436 13.181958 13.876798 13.394106 12.246605 12.897259 11.225894 10.494916 8.327538 6.922367 7.908431 9.758987 4.569565 5.931236 4.952423 2.462719 4.295305 0.000000 11.885442 9.579189 10.424667 10.821944 10.587815 13.045582 11.839929 10.441147 12.932329 14.279955 13.463402 8.201133 10.280366 7.603184 7.598393 10.888699 5.387141 6.228625 6.230903 3.902768 3.402134 3.402062 2.156269 2.156127 1.084525 12.088167 10.280278 12.240785 12.728100 13.925771 14.255318 15.168762 14.487041 13.630468 14.446980 12.831101 11.259432 10.136109 8.309741 8.337043 11.325022 5.984055 5.987605 4.291672 4.291455 2.485995 2.485816 0.000000 C20H23N3O2 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5516048 0.0923688 0.0860253 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= 704 704 704 704 704 MxSgAt= 48 MxSgA2= 48. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2118.3328166315 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0527251324 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2117.4165740337 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0523223821 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2124.7979239428 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0532220238 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2121.7059676110 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0528781426 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2123.4990353646 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0530198215 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2124.0512507685 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0530551003 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2125.7302732968 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0532821330 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2124.8769393202 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531274126 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2125.3739752507 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531529148 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2125.4060873181 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531699076 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2125.4406342126 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531805629 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2125.4925212506 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531841260 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2125.5694878608 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531912425 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2125.6091764272 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531947921 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 688 RedAO= T EigKep= 1.13D-06 NBF= 688 NBsUse= 685 1.00D-06 EigRej= 7.58D-07 NBFU= 685 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= 704 704 704 704 704 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1090.39569484514 -1090.66252281124 -0.266827966107 -1090.99263797255 -0.330115161310 -1091.02279765228 -0.030159679728 -1091.03368304158 -0.010885389301 -1091.03425712657 -0.000574084990 -1091.03431573137 -0.000058604802 -1091.03431945166 -0.000003720291 -1091.03431966908 -0.000000217419 -1091.03431970556 -0.000000036473 -1091.03431970703 -0.000000001478 -1091.03431970741 -0.000000000380 -1091.03431970748 -0.000000000064 -1091.03431970745 0.000000000030 -1091.03431970730 0.000000000147 -1091.03431971 15 1.086947134816e+03 -6.808674956400e+03 2.495786376583e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1839220472 LenY= 1838711390 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. -1.25478254e-01 -4.95327377e-01 7.01824995e-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 8 8 7 7 7 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 -0.000899089 0.011551706 0.007698594 0.005362390 0.002062761 0.011321488 -0.000754828 0.010524730 -0.003238470 0.005056683 -0.005212354 0.017480163 -0.001677704 -0.011049494 -0.010943426 0.001711538 -0.000011704 -0.001648521 0.003344639 -0.010633200 -0.004598606 0.004366353 0.007184110 -0.006674016 -0.000942304 0.003939928 -0.003835882 0.004522440 0.001387099 0.003191054 0.001301759 -0.004864103 -0.003328229 -0.007520897 -0.000292761 -0.001101459 -0.003840318 0.012253222 -0.011486138 0.002114723 0.001741438 -0.005605594 0.000954348 -0.000555825 0.004693989 0.002428784 -0.016910929 0.002841529 -0.002577826 -0.000199920 -0.000243715 -0.000636609 0.000799661 -0.004765238 -0.002047450 -0.000836638 0.004760180 0.002864405 0.000179419 0.000369396 0.000315176 0.002862126 0.004423675 0.001932347 -0.002755707 -0.004147341 -0.002908906 0.002081974 0.003211063 -0.001609127 -0.002301743 -0.003903785 -0.005377926 -0.000369380 -0.000743489 -0.001576401 0.001900254 -0.000137714 0.000456891 -0.000743398 0.001854629 -0.001220918 -0.001270483 -0.000312452 -0.000744672 0.000600142 0.001834279 0.001944485 -0.000169625 -0.000450062 -0.001658848 0.001024630 0.000525725 0.001033817 0.000243718 -0.001485283 -0.000403971 -0.001547801 0.000860795 -0.000682971 -0.000821490 0.001326388 0.001572047 0.000911252 -0.000269528 -0.001661215 0.000066799 -0.000109320 -0.002204394 -0.000077676 0.000887414 -0.000167417 0.000667257 0.001017277 0.001419718 -0.000470452 0.000738069 0.001698025 -0.000058532 0.000205773 0.000154687 -0.000533796 0.000316303 -0.000874487 0.000014198 -0.000779308 -0.000893332 -0.000221019 0.000510753 0.000727326 0.000284294 0.000661075 0.000956494 -0.000189176 -0.000444824 -0.001069241 0.000711027 0.001090580 -0.000655830 -0.000812141 -0.001312493 -0.001632392 -0.000082397 -0.000255300 0.017480163 0.004107294 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1091.03844857982 -1091.03845074255 -0.000002162738 -1091.03845073065 0.000000011899 -1091.03845077996 -0.000000049309 -1091.03845078046 -0.000000000492 -1091.03845078085 -0.000000000396 -1091.03845078097 -0.000000000122 -1091.03845078104 -0.000000000067 -1091.03845078103 0.000000000005 -1091.03845078 9 1.086283775680e+03 -6.789427499471e+03 2.486552522373e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1839220472 LenY= 1838711390 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) PT201115.800S Mon Jul 12 10:15:41 2021 -3.17208593e-01 -4.01607939e-01 7.60109226e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1091.0384508 1.959E-9 4.132E-6 6.1755324,-10.3960659,4.2205334,0.4130832,-2.967708,-5.6762535 C01 [X(C20H23N3O2)] -0.3586863 0.7734198 -0.33592 -0.000009673 -0.000004983 -0.000008091 0.000006257 0.000017417 0.000002124 0.000001377 -0.000006690 0.000010032 0.000009965 0.000006218 -0.000001029 0.000005465 -0.000009139 0.000000011 0.000005683 0.000004772 0.000001519 -0.000002995 -0.000001491 0.000006142 -0.000007412 -0.000010663 -0.000000795 -0.000001283 0.000000899 -0.000004756 -0.000000663 -0.000008031 -0.000006142 -0.000004174 -0.000005579 -0.000005341 -0.000001174 -0.000009268 0.000001510 -0.000003770 0.000010551 -0.000002911 -0.000000080 0.000002622 0.000000103 0.000003670 0.000000188 -0.000002918 -0.000016658 -0.000007516 0.000002586 -0.000001761 -0.000000229 0.000003336 0.000001329 0.000001980 -0.000004190 -0.000003752 0.000001092 -0.000001501 0.000001111 0.000003104 -0.000000975 -0.000000077 0.000003044 -0.000000273 0.000002352 0.000000411 -0.000000725 -0.000001195 0.000003924 -0.000000036 -0.000002122 0.000001344 -0.000001935 -0.000001541 0.000002358 -0.000001377 -0.000001176 0.000000407 0.000000239 0.000002764 0.000001064 0.000005319 0.000003407 -0.000000481 -0.000004085 0.000002075 0.000000472 -0.000000260 0.000002373 -0.000001925 0.000000375 -0.000001648 0.000000946 0.000000790 0.000002123 -0.000002003 0.000000869 0.000000445 0.000000394 0.000002006 0.000000793 -0.000003286 0.000003833 0.000001076 -0.000002757 0.000001088 0.000002546 -0.000001232 0.000001195 0.000007781 0.000000281 0.000006289 0.000003505 -0.000002505 0.000000890 -0.000000836 -0.000000767 -0.000001789 -0.000001775 0.000001259 0.000000694 -0.000000797 -0.000001245 0.000003082 0.000000464 0.000000663 -0.000000827 -0.000001192 0.000003083 0.000000551 0.000000337 0.000002598 -0.000000674 -0.000000611 0.000000497 -0.000000841 -0.000000223 0.000003871 -0.000000926 0.000000251 0.000001506 -0.000001082 -0.000000560 0.000002827 -0.000001105 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-BECERRIL PAULAPLA Optimization bitertanol_RS CONF56 octanol EM64L-G16RevC.01 138 C1[X(C20H23N3O2)] 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization bitertanol_RS CONF56 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 16 16 14 14 14 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 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 2 2 2 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 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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: "/home/paulapla/almacen/ADAMA/censo_results/bitertanol_RS/octanol/CONF56/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 1 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 9 9 9 10 10 10 11 11 11 12 12 13 14 14 15 15 16 17 17 17 18 19 20 20 21 21 22 22 23 23 24 24 25 7 37 8 12 4 8 13 16 13 16 7 9 10 11 8 26 27 28 29 30 31 32 33 34 35 36 14 15 38 18 39 19 40 41 18 19 20 42 43 21 22 23 44 24 45 25 46 25 47 48 1.4325 0.9659 1.4232 1.382 1.3596 1.4522 1.3488 1.3191 1.322 1.3647 1.5544 1.5385 1.5433 1.541 1.5433 1.0964 1.0898 1.094 1.0932 1.094 1.0908 1.0939 1.0951 1.0935 1.094 1.09 1.394 1.3953 1.0787 1.3939 1.0817 1.3886 1.0838 1.0794 1.4008 1.4047 1.4844 1.0841 1.0841 1.4041 1.4042 1.3934 1.0844 1.3933 1.0844 1.3952 1.0848 1.3952 1.0848 1.0845 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 7 8 4 4 8 3 13 7 7 7 9 9 10 1 1 1 6 6 8 2 2 2 3 3 7 6 6 6 28 28 29 6 6 6 31 31 32 6 6 6 34 34 35 2 2 14 3 3 5 12 12 18 12 12 19 4 4 5 18 18 19 14 14 17 15 15 17 17 17 21 20 20 23 20 20 24 21 21 25 22 22 25 23 23 24 1 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 37 12 8 13 13 16 16 9 10 11 10 11 11 6 8 26 8 26 26 3 7 27 7 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 15 15 5 38 38 18 39 39 19 40 40 5 41 41 19 20 20 17 42 42 17 43 43 21 22 22 23 44 44 24 45 45 25 46 46 25 47 47 24 48 48 107.9623 120.0395 121.8441 109.7629 128.3775 102.5644 102.9938 111.4761 107.3974 111.3254 109.2879 109.7424 107.4844 107.9873 106.1177 109.8314 116.6636 108.5786 107.5428 109.2521 105.0037 111.4131 114.7975 106.8595 109.5905 111.8962 111.3773 109.8477 108.412 107.2446 107.8938 111.9508 109.588 111.0543 108.1221 108.1078 107.8853 111.4117 109.034 113.0635 107.8236 108.2504 107.0396 124.4685 115.4832 120.0324 109.957 122.8681 127.1743 119.3712 121.4894 119.1343 119.967 119.0082 121.0205 114.7191 121.9033 123.3776 117.6725 121.1691 121.1581 121.716 118.5066 119.7651 121.2385 118.9022 119.8353 120.9014 120.9041 118.1944 120.9003 119.6342 119.4548 120.8941 119.6439 119.4497 120.2951 119.6283 120.0746 120.3 119.6201 120.0772 119.4158 120.2994 120.2847 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 37 37 37 12 12 12 8 8 8 13 4 4 4 13 13 13 4 4 8 8 3 3 16 16 13 13 9 9 9 10 10 10 11 11 11 7 7 7 10 10 10 11 11 11 7 7 7 9 9 9 11 11 11 7 7 7 9 9 9 10 10 10 1 1 1 6 6 6 26 26 26 2 2 15 15 2 2 14 14 12 12 39 39 12 12 40 40 19 19 20 20 18 18 20 20 18 18 19 19 17 17 22 22 17 17 21 21 20 20 44 44 20 20 45 45 21 21 46 46 22 22 47 47 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 7 7 7 8 8 8 12 12 4 4 8 8 8 8 8 8 13 13 13 13 16 16 13 13 16 16 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 8 8 8 8 8 8 8 8 8 14 14 14 14 15 15 15 15 18 18 18 18 19 19 19 19 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 25 6 8 26 3 7 27 14 15 16 16 2 7 27 2 7 27 5 38 5 38 5 41 3 38 4 41 1 8 26 1 8 26 1 8 26 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 2 3 27 2 3 27 2 3 27 18 39 18 39 19 40 19 40 17 42 17 42 17 43 17 43 14 42 14 42 15 43 15 43 21 22 21 22 23 44 23 44 24 45 24 45 25 46 25 46 25 47 25 47 24 48 24 48 23 48 23 48 -176.4771 57.7244 -58.2357 -66.7316 169.658 51.1048 -23.4475 158.0084 179.0595 0.3756 -59.6422 57.9665 179.6988 118.7777 -123.6136 -1.8812 -0.5673 179.7058 -179.1411 1.132 -0.0719 -179.9935 0.4832 -179.8047 -0.2558 179.6645 -68.2528 51.0645 172.7068 51.4335 170.7508 -67.6069 168.8408 -71.8419 49.8004 -68.541 52.9846 172.4625 172.8978 -65.5766 53.9013 55.266 176.7917 -63.7304 -65.2587 174.7829 55.6864 55.8145 -64.1439 176.7596 174.8566 54.8982 -64.1983 -52.0745 -170.9611 70.105 -175.9697 65.1437 -53.7902 65.2801 -53.6065 -172.5404 -57.9353 -177.9263 61.8391 -178.2533 61.7557 -58.4789 59.562 -60.4289 179.3365 -178.6711 0.5049 -0.1892 178.9868 178.4499 -2.2933 -0.1637 179.0931 0.1845 178.9026 -179.0111 -0.2929 0.5331 178.7482 -178.7084 -0.4933 0.1688 -178.5336 -179.6364 1.6612 -0.5289 -178.7275 179.2764 1.0777 -141.5312 38.5376 38.6703 -141.2608 -179.9491 1.2433 -0.0162 -178.8237 -179.9385 1.347 0.1286 -178.586 -0.0866 -179.575 178.7231 -0.7653 -0.1391 -179.5495 178.5779 -0.8325 0.0774 -179.9735 179.5636 -0.4873 0.0343 -179.9147 179.442 -0.5071 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00200 0.00330 0.00333 0.00396 0.00418 0.00527 0.00715 0.00760 0.00863 0.01210 0.01596 0.01622 0.01744 0.01752 0.01789 0.01817 0.02149 0.02181 0.02311 0.02374 0.02386 0.02415 0.02478 0.02627 0.02656 0.02797 0.02834 0.02887 0.02922 0.03175 0.03682 0.04071 0.04419 0.04514 0.04557 0.04570 0.04635 0.04704 0.04744 0.05112 0.05434 0.05737 0.05839 0.06673 0.06736 0.07281 0.07637 0.08307 0.10820 0.10951 0.11021 0.11421 0.11639 0.11746 0.11871 0.11882 0.11946 0.12122 0.12211 0.12413 0.12674 0.13048 0.13238 0.13922 0.14274 0.14460 0.14628 0.15476 0.15834 0.16849 0.17284 0.17584 0.17873 0.18468 0.18509 0.19336 0.19367 0.19475 0.19550 0.19583 0.20750 0.21184 0.21496 0.23001 0.23921 0.24559 0.25743 0.26899 0.27616 0.27769 0.28682 0.29740 0.30387 0.31588 0.31777 0.32365 0.32620 0.32901 0.33062 0.33167 0.33244 0.33444 0.33524 0.33595 0.34087 0.34247 0.34514 0.35011 0.35343 0.35477 0.35568 0.35571 0.35633 0.35725 0.35846 0.35925 0.36030 0.36199 0.36928 0.37233 0.37816 0.40024 0.40156 0.40828 0.41070 0.43090 0.44349 0.45447 0.45819 0.45994 0.46459 0.48912 0.49983 0.50080 0.50957 0.51597 0.51763 0.55734 Angle between quadratic step and forces= 67.84 degrees. 1 2 0.00063763 0.00000036 0.00000013 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 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 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 2.70710 1.82531 2.68950 2.61159 2.56922 2.74421 2.54892 2.49273 2.49818 2.57892 2.93734 2.90729 2.91638 2.91213 2.91646 2.07191 2.05938 2.06742 2.06581 2.06735 2.06132 2.06711 2.06941 2.06636 2.06737 2.05984 2.63419 2.63665 2.03836 2.63401 2.04406 2.62405 2.04813 2.03978 2.64707 2.65453 2.80506 2.04860 2.04861 2.65340 2.65357 2.63307 2.04929 2.63301 2.04928 2.63650 2.05004 2.63653 2.05005 2.04945 1.88430 2.09508 2.12658 1.91572 2.24061 1.79009 1.79758 1.94562 1.87444 1.94299 1.90743 1.91537 1.87596 1.88473 1.85210 1.91692 2.03616 1.89505 1.87698 1.90681 1.83266 1.94453 2.00359 1.86505 1.91272 1.95296 1.94390 1.91720 1.89215 1.87177 1.88310 1.95391 1.91267 1.93826 1.88709 1.88684 1.88295 1.94450 1.90300 1.97333 1.88188 1.88933 1.86819 2.17238 2.01556 2.09496 1.91911 2.14445 2.21961 2.08342 2.12039 2.07929 2.09382 2.07708 2.11221 2.00223 2.12761 2.15335 2.05377 2.11480 2.11461 2.12434 2.06833 2.09029 2.11601 2.07523 2.09152 2.11013 2.11018 2.06288 2.11011 2.08801 2.08488 2.11000 2.08818 2.08479 2.09955 2.08791 2.09570 2.09963 2.08777 2.09574 2.08420 2.09962 2.09936 -3.08011 1.00748 -1.01641 -1.16469 2.96109 0.89195 -0.40924 2.75777 3.12518 0.00656 -1.04095 1.01171 3.13634 2.07306 -2.15746 -0.03283 -0.00990 3.13646 -3.12660 0.01976 -0.00125 -3.14148 0.00843 -3.13818 -0.00446 3.13574 -1.19124 0.89124 3.01430 0.89768 2.98016 -1.17996 2.94683 -1.25388 0.86918 -1.19627 0.92476 3.01004 3.01764 -1.14453 0.94076 0.96457 3.08560 -1.11231 -1.13898 3.05054 0.97191 0.97415 -1.11952 3.08504 3.05182 0.95815 -1.12047 -0.90887 -2.98383 1.22356 -3.07125 1.13697 -0.93882 1.13935 -0.93561 -3.01140 -1.01116 -3.10540 1.07930 -3.11111 1.07784 -1.02065 1.03955 -1.05468 3.13001 -3.11840 0.00881 -0.00330 3.12391 3.11454 -0.04003 -0.00286 3.12576 0.00322 3.12244 -3.12433 -0.00511 0.00930 3.11974 -3.11905 -0.00861 0.00295 -3.11600 -3.13525 0.02899 -0.00923 -3.11938 3.12896 0.01881 -2.47019 0.67261 0.67492 -2.46547 -3.14070 0.02170 -0.00028 -3.12106 -3.14052 0.02351 0.00224 -3.11691 -0.00151 -3.13418 3.11931 -0.01336 -0.00243 -3.13373 3.11677 -0.01453 0.00135 -3.14113 3.13398 -0.00851 0.00060 -3.14010 3.13185 -0.00885 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00002 0.00001 0.00003 -0.00002 -0.00001 0.00001 0.00001 0.00002 -0.00000 0.00005 0.00003 -0.00002 0.00002 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00002 0.00000 0.00000 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00006 -0.00010 0.00000 0.00001 -0.00002 0.00000 0.00000 0.00004 -0.00002 -0.00000 -0.00003 0.00001 0.00000 -0.00002 -0.00000 0.00002 -0.00002 -0.00000 0.00003 0.00002 0.00006 -0.00004 -0.00002 0.00003 -0.00005 0.00005 -0.00000 -0.00003 0.00001 -0.00001 -0.00002 -0.00003 0.00003 0.00002 0.00001 -0.00002 -0.00000 -0.00001 -0.00000 0.00002 -0.00002 0.00000 0.00000 -0.00005 0.00006 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00002 0.00000 0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00002 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00137 0.00140 0.00136 0.00072 0.00069 0.00074 -0.00099 -0.00086 -0.00023 -0.00007 0.00010 0.00018 0.00012 -0.00009 -0.00002 -0.00007 0.00002 0.00008 0.00020 0.00026 0.00009 0.00000 0.00003 -0.00003 -0.00008 0.00001 0.00021 0.00018 0.00020 0.00018 0.00015 0.00017 0.00017 0.00014 0.00016 -0.00011 -0.00006 -0.00011 -0.00008 -0.00004 -0.00008 -0.00007 -0.00003 -0.00007 -0.00004 -0.00005 -0.00008 -0.00003 -0.00004 -0.00007 -0.00003 -0.00004 -0.00007 -0.00002 0.00001 -0.00000 -0.00007 -0.00005 -0.00006 -0.00004 -0.00001 -0.00003 0.00016 0.00010 0.00011 0.00019 0.00013 0.00015 0.00019 0.00013 0.00015 0.00016 0.00017 0.00004 0.00004 -0.00018 -0.00013 -0.00007 -0.00001 0.00002 -0.00002 0.00002 -0.00002 0.00004 0.00007 -0.00002 0.00001 -0.00005 -0.00001 -0.00010 -0.00006 0.00002 -0.00001 0.00007 0.00004 0.00010 0.00006 0.00005 0.00001 -0.00006 -0.00005 -0.00002 -0.00001 0.00005 0.00004 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00003 -0.00002 0.00001 0.00003 -0.00002 -0.00001 0.00001 0.00001 0.00002 -0.00000 0.00005 0.00003 -0.00002 0.00002 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00002 0.00000 0.00000 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00006 -0.00010 0.00000 0.00001 -0.00002 0.00000 0.00000 0.00004 -0.00002 -0.00000 -0.00003 0.00001 0.00000 -0.00002 -0.00000 0.00002 -0.00002 -0.00000 0.00003 0.00002 0.00006 -0.00004 -0.00002 0.00003 -0.00005 0.00005 -0.00000 -0.00003 0.00001 -0.00001 -0.00002 -0.00003 0.00003 0.00002 0.00001 -0.00002 -0.00000 -0.00001 -0.00000 0.00002 -0.00002 0.00000 0.00000 -0.00005 0.00006 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00002 0.00000 0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00002 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00137 0.00140 0.00136 0.00072 0.00069 0.00074 -0.00099 -0.00086 -0.00023 -0.00007 0.00010 0.00018 0.00012 -0.00009 -0.00002 -0.00007 0.00002 0.00008 0.00020 0.00026 0.00009 0.00000 0.00003 -0.00003 -0.00008 0.00001 0.00021 0.00018 0.00020 0.00018 0.00015 0.00017 0.00017 0.00014 0.00016 -0.00011 -0.00006 -0.00011 -0.00008 -0.00004 -0.00008 -0.00007 -0.00003 -0.00007 -0.00004 -0.00005 -0.00008 -0.00003 -0.00004 -0.00007 -0.00003 -0.00004 -0.00007 -0.00002 0.00001 -0.00000 -0.00007 -0.00005 -0.00006 -0.00004 -0.00001 -0.00003 0.00016 0.00010 0.00011 0.00019 0.00013 0.00015 0.00019 0.00013 0.00015 0.00016 0.00017 0.00004 0.00004 -0.00018 -0.00013 -0.00007 -0.00001 0.00002 -0.00002 0.00002 -0.00002 0.00004 0.00007 -0.00002 0.00001 -0.00005 -0.00001 -0.00010 -0.00006 0.00002 -0.00001 0.00007 0.00004 0.00010 0.00006 0.00005 0.00001 -0.00006 -0.00005 -0.00002 -0.00001 0.00005 0.00004 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 2.70707 1.82529 2.68950 2.61162 2.56920 2.74420 2.54892 2.49275 2.49820 2.57891 2.93739 2.90732 2.91637 2.91215 2.91645 2.07191 2.05937 2.06742 2.06581 2.06735 2.06133 2.06712 2.06941 2.06637 2.06738 2.05983 2.63421 2.63663 2.03836 2.63400 2.04406 2.62407 2.04813 2.03978 2.64708 2.65452 2.80506 2.04860 2.04861 2.65340 2.65357 2.63307 2.04929 2.63302 2.04928 2.63651 2.05004 2.63654 2.05005 2.04946 1.88436 2.09498 2.12658 1.91573 2.24059 1.79009 1.79758 1.94566 1.87442 1.94299 1.90740 1.91538 1.87596 1.88472 1.85210 1.91694 2.03614 1.89505 1.87700 1.90683 1.83272 1.94449 2.00357 1.86508 1.91266 1.95300 1.94390 1.91717 1.89216 1.87177 1.88308 1.95388 1.91270 1.93828 1.88710 1.88681 1.88295 1.94449 1.90300 1.97335 1.88186 1.88933 1.86819 2.17233 2.01563 2.09495 1.91910 2.14446 2.21961 2.08343 2.12039 2.07927 2.09382 2.07710 2.11219 2.00222 2.12761 2.15336 2.05377 2.11478 2.11463 2.12434 2.06834 2.09029 2.11601 2.07524 2.09152 2.11012 2.11018 2.06288 2.11011 2.08801 2.08488 2.11000 2.08819 2.08478 2.09954 2.08791 2.09570 2.09963 2.08776 2.09575 2.08420 2.09962 2.09937 -3.07874 1.00888 -1.01504 -1.16397 2.96178 0.89269 -0.41022 2.75690 3.12495 0.00649 -1.04085 1.01188 3.13646 2.07297 -2.15748 -0.03291 -0.00988 3.13654 -3.12641 0.02002 -0.00116 -3.14148 0.00847 -3.13822 -0.00455 3.13575 -1.19102 0.89143 3.01450 0.89786 2.98031 -1.17980 2.94700 -1.25374 0.86934 -1.19637 0.92469 3.00993 3.01755 -1.14456 0.94067 0.96450 3.08557 -1.11238 -1.13902 3.05048 0.97183 0.97412 -1.11956 3.08497 3.05179 0.95811 -1.12054 -0.90889 -2.98382 1.22356 -3.07132 1.13693 -0.93887 1.13931 -0.93562 -3.01143 -1.01101 -3.10530 1.07941 -3.11092 1.07797 -1.02050 1.03974 -1.05455 3.13016 -3.11824 0.00898 -0.00326 3.12395 3.11435 -0.04016 -0.00292 3.12575 0.00324 3.12242 -3.12432 -0.00514 0.00934 3.11981 -3.11907 -0.00860 0.00289 -3.11601 -3.13535 0.02893 -0.00921 -3.11939 3.12904 0.01885 -2.47008 0.67267 0.67497 -2.46546 -3.14076 0.02165 -0.00030 -3.12107 -3.14047 0.02355 0.00226 -3.11691 -0.00150 -3.13416 3.11931 -0.01335 -0.00243 -3.13374 3.11678 -0.01453 0.00136 -3.14113 3.13398 -0.00851 0.00059 -3.14011 3.13185 -0.00885 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000003 0.003452 0.000638 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -2.870229e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2125.6091764272 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531947921 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 2.666210 0.000000 3.709560 2.344631 0.000000 4.370595 2.921262 1.359574 0.000000 5.846020 4.370679 2.187279 2.260088 0.000000 2.417326 3.800674 3.171154 3.747841 4.772771 0.000000 1.432534 2.354712 2.524006 3.084560 4.579614 1.554373 0.000000 2.379397 1.423221 1.452173 2.457765 3.601051 2.636465 1.543324 0.000000 3.002370 4.342201 3.640844 4.596317 5.017982 1.538469 2.556164 3.060596 0.000000 2.750649 4.831210 4.604854 4.981599 6.229586 1.543284 2.496457 3.926291 2.513393 0.000000 3.780760 4.476314 3.080791 3.273817 4.066339 1.541032 2.555983 3.257324 2.518604 2.487081 0.000000 3.881236 1.381995 2.956870 3.565518 4.544889 5.021266 3.672268 2.429958 5.321315 6.147690 5.615304 0.000000 4.789786 3.450021 1.348830 2.215384 1.321981 3.928292 3.653270 2.521958 3.986269 5.453886 3.615856 3.683691 0.000000 4.576649 2.456330 3.276806 4.184350 4.467582 5.460795 4.362100 2.924806 5.384608 6.731040 6.040044 1.393953 3.508749 0.000000 4.802634 2.348590 4.027462 4.262150 5.423418 6.140590 4.683436 3.639203 6.610646 7.139038 6.672038 1.395253 4.793752 2.415918 0.000000 5.567728 4.047314 2.090150 1.319098 1.364703 4.616333 4.237892 3.489517 5.267656 5.921628 3.825372 4.415208 2.102699 4.747549 5.080335 0.000000 6.570614 4.192811 5.284443 5.783372 6.081180 7.733983 6.465506 5.112880 7.799825 8.923673 8.234335 2.814038 5.485645 2.440871 2.434037 6.199282 0.000000 5.900006 3.703910 4.492645 5.262857 5.291666 6.849888 5.744014 4.304061 6.715542 8.123049 7.376006 2.406631 4.523558 1.393859 2.775913 5.643210 1.400767 0.000000 6.072295 3.633832 5.064974 5.327539 6.119832 7.397859 5.988260 4.814888 7.725244 8.458946 7.898019 2.410477 5.576773 2.786518 1.388586 5.928600 1.404715 2.400629 0.000000 8.025410 5.676831 6.661972 7.121002 7.203272 9.188750 7.944647 6.571448 9.184929 10.396342 9.657833 4.298388 6.717769 3.801485 3.795747 7.397210 1.484373 2.513527 2.516799 0.000000 8.747107 6.494978 7.772216 8.159439 8.465154 10.153184 8.815512 7.551775 10.217855 11.254496 10.708908 5.165514 7.967384 4.890491 4.396369 8.536759 2.513103 3.706336 3.038636 1.404119 0.000000 8.889502 6.525633 7.101300 7.595467 7.257974 9.787050 8.678562 7.209918 9.657645 11.101214 10.133967 5.158696 6.889841 4.395997 4.879781 7.646151 2.513214 3.036004 3.708759 1.404210 2.409658 0.000000 10.122560 7.870989 9.048330 9.423058 9.574257 11.498562 10.185326 8.890804 11.511342 12.625068 12.025249 6.527763 9.143910 6.157132 5.771367 9.704566 3.795144 4.883260 4.398248 2.433608 1.393360 2.783430 0.000000 10.245495 7.896278 8.479232 8.939726 8.526168 11.176436 10.066922 8.602249 11.016699 12.488414 11.516324 6.522328 8.222272 5.771880 6.147797 8.931925 3.795160 4.395810 4.885561 2.433588 2.783333 1.393331 2.409388 0.000000 10.809685 8.494741 9.367612 9.777830 9.608021 11.970837 10.756939 9.363065 11.880934 13.199611 12.399855 7.116613 9.262955 6.534794 6.529855 9.887736 4.302616 5.168565 5.171007 2.818243 2.418528 2.418575 1.395178 1.395193 0.000000 2.078452 2.560129 2.763170 2.809415 4.710619 2.168905 1.096410 2.145701 3.488158 2.770671 2.699400 3.920074 4.032930 4.854418 4.675479 4.052770 6.714519 6.180702 6.040565 8.193421 9.000662 8.986513 10.379080 10.366917 11.005313 0.000000 2.633237 2.084629 2.052896 3.317929 3.881085 2.878357 2.167330 1.089779 2.715747 4.206375 3.670179 2.692781 2.605914 2.687769 4.057264 4.125979 5.086683 4.052010 5.058875 6.486253 7.521225 7.028507 8.820118 8.403572 9.216857 3.050824 0.000000 3.543103 4.193124 3.134304 4.242064 4.239330 2.195261 2.894184 2.831409 1.094034 3.481386 2.746378 4.962128 3.163413 4.808878 6.313441 4.722973 7.242521 6.075738 7.316241 8.572809 9.693720 8.919074 10.942576 10.262261 11.205599 3.832269 2.298761 0.000000 2.661240 4.320670 4.172590 5.224188 5.763300 2.188150 2.763277 3.254748 1.093178 2.813944 3.482488 5.238597 4.604034 5.267194 6.514921 6.016439 7.644486 6.564773 7.593318 9.010025 9.961939 9.555682 11.252254 10.893619 11.682786 3.796581 2.730922 1.774102 0.000000 3.921025 5.418293 4.532353 5.390695 5.632429 2.169468 3.499647 4.113627 1.093994 2.696161 2.783630 6.404203 4.729613 6.422704 7.695184 5.933099 8.850960 7.729840 8.806919 10.217358 11.275270 10.633173 12.554401 11.980631 12.883730 4.314772 3.777975 1.761635 1.768267 0.000000 2.460461 4.943778 5.141669 5.664849 6.937742 2.197758 2.793493 4.194391 2.743909 1.090804 3.460308 6.218395 6.020017 6.778291 7.196509 6.689588 8.940774 8.145278 8.490268 10.397653 11.179904 11.166788 12.548292 12.536226 13.180637 3.226192 4.327398 3.790484 2.603154 2.979934 0.000000 3.790766 5.807786 5.278547 5.639389 6.642312 2.170299 3.456325 4.774611 2.777240 1.093870 2.666751 7.093672 5.951402 7.577994 8.137690 6.420077 9.841309 8.968914 9.440553 11.303569 12.215106 11.935794 13.574015 13.323010 14.092596 3.733244 4.960065 3.745971 3.221096 2.509617 1.768806 0.000000 3.020263 4.913973 4.813654 4.908549 6.451518 2.189799 2.702299 4.213387 3.477614 1.095083 2.766899 6.286889 5.812669 7.062463 7.112080 5.913328 9.100312 8.440992 8.479233 10.584527 11.379030 11.360252 12.764282 12.747487 13.402571 2.527636 4.730218 4.344213 3.798691 3.729931 1.769630 1.769612 0.000000 4.018863 4.539144 3.291561 3.043789 4.267089 2.191069 2.756519 3.557906 3.482124 2.780016 1.093470 5.730869 4.030408 6.363442 6.609289 3.673344 8.379990 7.677328 7.880630 9.811958 10.801196 10.357382 12.129921 11.736743 12.564201 2.442807 4.228950 3.749287 4.340166 3.800378 3.804753 3.066120 2.611393 0.000000 4.551719 5.529025 4.090786 4.286594 4.794755 2.161312 3.491507 4.269044 2.784191 2.646974 1.094007 6.661479 4.429282 7.006592 7.750982 4.668146 9.255688 8.337585 8.967422 10.666732 11.742678 11.093513 13.049783 12.468923 13.389477 3.673439 4.540350 3.118134 3.793954 2.602137 3.648437 2.357156 3.027480 1.767724 0.000000 4.247537 4.366077 2.494446 2.782833 3.070122 2.208848 2.920911 3.076231 2.752386 3.466021 1.090019 5.310492 2.705430 5.564991 6.412289 3.051258 7.741364 6.830010 7.532619 9.109728 10.243127 9.462549 11.514510 10.826168 11.785254 3.157342 3.402656 2.528047 3.763261 3.101407 4.344496 3.657985 3.804435 1.769281 1.756094 0.000000 0.965912 2.232135 3.861724 4.429224 6.048674 3.259990 1.959231 2.499654 3.877444 3.620746 4.486418 3.361028 5.020739 4.232263 4.091436 5.684102 5.976484 5.471318 5.360115 7.417174 8.036354 8.383484 9.418997 9.716524 10.187075 2.308729 2.869440 4.276599 3.508883 4.845531 3.327522 4.690779 3.704680 4.586830 5.349751 4.863638 0.000000 4.963708 3.830994 2.135891 3.241484 2.152761 4.167345 4.021925 2.845372 3.814570 5.706742 4.077409 3.920052 1.078655 3.390586 5.154917 3.161305 5.500329 4.342803 5.820126 6.665837 7.958253 6.737647 9.091966 8.045223 9.136855 4.632042 2.485395 2.824381 4.318823 4.519494 6.152916 6.150525 6.237973 4.703809 4.769862 3.190154 5.249870 0.000000 4.371715 2.749687 3.053174 4.210872 4.191528 4.958304 4.109857 2.685661 4.630988 6.292591 5.561394 2.165243 3.060589 1.081668 3.405717 4.701173 3.409229 2.140307 3.867855 4.653289 5.799304 5.050581 7.004936 6.398402 7.267994 4.795616 2.092214 3.957125 4.521571 5.616575 6.342932 7.044962 6.771785 6.054097 6.439300 5.043563 4.247505 2.665521 0.000000 4.749675 2.533599 4.321726 4.292865 5.822747 6.170683 4.652455 3.902702 6.864798 7.004653 6.675610 2.141974 5.285873 3.390989 1.083824 5.234392 3.419754 3.859554 2.157317 4.672420 5.083105 5.809913 6.431919 7.020800 7.293961 4.416104 4.531545 6.706539 6.797286 7.933321 7.078684 8.036709 6.817298 6.452334 7.762733 6.546965 3.962916 5.794079 4.295385 0.000000 6.438527 4.911136 3.131814 2.100023 2.156005 5.435672 5.093034 4.478699 6.203662 6.623392 4.475668 5.251755 3.143635 5.663436 5.721720 1.079405 6.862234 6.453573 6.509480 7.978909 9.074531 8.194831 10.193862 9.420262 10.356266 4.736592 5.181579 5.710500 6.996960 6.800927 7.458795 7.072199 6.487487 4.128868 5.228494 3.776214 6.522644 4.173739 5.708265 5.760233 0.000000 6.584190 4.584250 5.084901 5.965624 5.626232 7.381335 6.428038 4.965075 7.041045 8.703521 7.891891 3.380966 4.860686 2.135504 3.859737 6.198249 2.155249 1.084072 3.389513 2.727318 3.980536 2.798917 4.948589 4.058555 4.986831 6.972658 4.521111 6.303874 6.873844 7.990975 8.711598 9.479921 9.123915 8.303127 8.785316 7.270868 6.250543 4.468534 2.437880 4.943344 7.027591 0.000000 6.868306 4.483220 5.956516 6.047340 6.944426 8.272198 6.815469 5.740355 8.699809 9.260535 8.740035 3.385967 6.514457 3.870318 2.135063 6.631714 2.159554 3.389367 1.084076 2.732130 2.801565 3.985259 4.061314 4.953061 4.990673 6.746334 6.071436 8.332684 8.568648 9.784496 9.289706 10.267446 9.187881 8.625836 9.823914 8.408870 6.087893 6.830478 4.951780 2.471177 7.088848 4.296228 0.000000 8.350907 6.217749 7.767029 8.113602 8.700692 9.948197 8.536555 7.400374 10.105857 10.937916 10.589399 4.980855 8.140343 4.952365 4.055236 8.641065 2.722957 3.975413 2.795655 2.157167 1.084438 3.395935 2.145578 3.867593 3.396529 8.666484 7.443270 9.689107 9.795750 11.184072 10.807505 11.941112 11.001869 10.626996 11.640436 10.226478 7.567441 8.194196 5.920174 4.586898 9.186077 4.451560 2.374815 0.000000 8.621737 6.274451 6.516549 7.057471 6.457460 9.274099 8.284394 6.766688 9.079676 10.658930 9.525062 4.968296 6.136877 4.049772 4.937538 6.981316 2.723285 2.794158 3.977106 2.157345 3.395945 1.084431 3.867641 2.145490 3.396499 8.637296 6.536082 8.265506 9.058486 10.009585 10.790749 11.430691 10.967803 9.801528 10.442442 8.780407 8.217495 5.931499 4.547104 5.919986 7.548139 2.375903 4.455724 4.298087 0.000000 10.754181 8.579223 9.911964 10.249320 10.536444 12.266782 10.903642 9.679338 12.323026 13.323481 12.845952 7.277885 10.091104 7.019976 6.414241 10.594883 4.659660 5.804524 5.066960 3.411674 2.147758 3.868228 1.084834 3.394968 2.154144 11.059530 9.641085 11.809941 12.017121 13.379705 13.200167 14.302613 13.422490 12.913329 13.884237 12.387766 9.997951 10.065587 7.897366 6.961699 11.063879 5.926928 4.570942 2.462963 4.952468 0.000000 10.961722 8.620391 8.968773 9.442345 8.782836 11.724970 10.706295 9.203165 11.491519 13.093046 11.985171 7.269133 8.560186 6.411802 7.008266 9.300254 4.659658 5.064888 5.806427 3.411633 3.868129 2.147650 3.394982 1.084840 2.154190 11.038202 8.955384 10.668414 11.416778 12.409436 13.181958 13.876798 13.394106 12.246605 12.897259 11.225894 10.494916 8.327538 6.922367 7.908431 9.758987 4.569565 5.931236 4.952423 2.462719 4.295305 0.000000 11.885442 9.579189 10.424667 10.821944 10.587815 13.045582 11.839929 10.441147 12.932329 14.279955 13.463402 8.201133 10.280366 7.603184 7.598393 10.888699 5.387141 6.228625 6.230903 3.902768 3.402134 3.402062 2.156269 2.156127 1.084525 12.088167 10.280278 12.240785 12.728100 13.925771 14.255318 15.168762 14.487041 13.630468 14.446980 12.831101 11.259432 10.136109 8.309741 8.337043 11.325022 5.984055 5.987605 4.291672 4.291455 2.485995 2.485816 0.000000 C20H23N3O2 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5516048 0.0923688 0.0860253 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= 688 RedAO= T EigKep= 1.13D-06 NBF= 688 NBsUse= 685 1.00D-06 EigRej= 7.58D-07 NBFU= 685 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= 704 704 704 704 704 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1091.03845078097 -1091.03845078 1 1.086283775724e+03 -6.789427499915e+03 2.486552522773e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1839220472 LenY= 1838711390 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 48. Will process 49 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 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. 14949 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1840250880 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= 730000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 5.36D-14 1.00D-09 XBig12= 3.52D+02 1.22D+01. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 5.36D-14 1.00D-09 XBig12= 4.36D+01 9.05D-01. 144 vectors produced by pass 2 Test12= 5.36D-14 1.00D-09 XBig12= 3.53D-01 7.40D-02. 144 vectors produced by pass 3 Test12= 5.36D-14 1.00D-09 XBig12= 1.63D-03 5.08D-03. 144 vectors produced by pass 4 Test12= 5.36D-14 1.00D-09 XBig12= 3.66D-06 1.57D-04. 125 vectors produced by pass 5 Test12= 5.36D-14 1.00D-09 XBig12= 6.63D-09 6.99D-06. 43 vectors produced by pass 6 Test12= 5.36D-14 1.00D-09 XBig12= 8.91D-12 3.10D-07. 3 vectors produced by pass 7 Test12= 5.36D-14 1.00D-09 XBig12= 1.08D-14 1.09D-08. InvSVY: IOpt=1 It= 1 EMax= 2.66D-14 Solved reduced A of dimension 891 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 363.53 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 451.669 -11.315 324.147 -8.436 37.350 314.766 457.867 -13.378 367.165 -9.700 51.737 370.545 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT184923.800S Mon Jul 12 16:42:15 2021 -3.17208464e-01 -4.01608134e-01 7.60109127e-01 4.51669048e+02 -1.13147361e+01 3.24146880e+02 -8.43608558e+00 3.73497085e+01 3.14765627e+02 -26.6063 -0.0008 0.0004 0.0005 1.3226 7.2128 19.0891 30.6282 44.3473 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 16.4757 30.4131 44.1317 50.5765 61.7240 82.8899 84.2562 89.4638 108.9017 127.8915 166.4282 189.7129 216.8894 233.9477 244.8119 262.5430 291.0434 293.6725 318.5391 330.8209 337.4847 344.1129 368.3579 392.6345 399.2737 413.2914 415.8659 416.8063 429.8464 476.8595 520.5653 525.1988 548.5347 558.8710 591.2467 615.2260 630.7733 652.2006 673.1358 701.7322 712.1567 723.1675 738.6329 776.8843 779.4858 814.1872 838.0321 843.8125 859.5425 861.7348 880.1157 908.2023 916.1894 937.1669 945.6523 948.1482 949.2732 971.9910 974.7293 988.2860 996.2921 1000.5812 1009.8508 1010.4923 1018.9058 1021.1388 1031.3602 1040.1823 1053.9228 1065.6641 1073.5510 1105.0326 1107.4658 1142.5776 1144.7525 1182.0639 1191.1620 1198.8536 1211.0984 1219.5920 1226.7788 1238.0419 1241.0201 1260.3211 1288.1248 1297.1336 1299.2985 1305.6955 1323.3577 1330.1231 1339.8066 1362.9198 1367.1718 1389.9716 1402.5614 1405.9138 1408.7215 1416.7147 1434.6949 1435.0256 1465.1711 1475.3821 1476.4210 1483.4658 1487.1595 1502.4080 1512.2744 1516.4564 1520.3125 1535.5219 1543.9655 1603.5165 1619.4067 1637.3934 1644.1241 3020.1637 3023.2502 3028.2366 3034.2865 3079.5299 3081.3475 3088.2846 3094.5027 3112.0209 3115.2632 3125.0137 3160.3845 3166.2240 3174.3887 3177.1760 3178.8760 3182.2547 3189.2296 3192.9940 3210.8372 3250.2871 3259.9904 3789.7203 6.0351 3.8555 4.4109 3.7108 5.5842 4.0843 4.0002 5.6723 4.9276 4.4148 5.4877 5.4173 2.2579 3.0699 2.2994 1.4025 2.0098 2.6060 1.9649 1.9205 1.3001 2.7548 3.5047 2.6046 4.2154 2.3861 3.8287 3.2244 3.0920 3.1135 3.3040 4.1874 3.4748 2.6137 4.0523 5.2455 6.4431 6.5088 3.1886 5.3072 1.7149 5.4194 3.3319 3.8145 2.0711 5.4122 1.2523 4.2347 1.7054 1.2598 1.4518 1.4137 2.2993 1.4275 1.8228 2.3126 3.1667 1.3550 1.2080 1.3537 1.3875 5.1495 1.3090 5.4257 4.9098 2.4083 3.1570 2.2873 2.6734 1.9819 2.0140 2.7281 1.6475 2.0295 1.3406 1.1024 1.5620 1.4394 1.3363 1.7110 2.1072 2.2906 2.8322 2.5694 2.1039 1.9865 3.3830 3.3421 3.6912 2.0855 1.3910 1.4841 3.0460 1.2413 1.2329 1.2404 1.5377 1.7542 1.9800 1.5089 2.5687 2.3743 1.0469 1.0491 1.0471 1.0620 1.0707 2.0333 1.0659 3.6183 2.5688 5.3377 6.3766 5.4223 5.8367 1.0365 1.0394 1.0756 1.0460 1.1022 1.1014 1.1011 1.1022 1.0993 1.0861 1.0968 1.0860 1.0881 1.0908 1.0900 1.0906 1.0931 1.0983 1.0952 1.0924 1.0964 1.1009 1.0663 0.0010 0.0021 0.0051 0.0056 0.0125 0.0165 0.0167 0.0267 0.0344 0.0425 0.0896 0.1149 0.0626 0.0990 0.0812 0.0570 0.1003 0.1324 0.1175 0.1238 0.0872 0.1922 0.2802 0.2366 0.3959 0.2401 0.3901 0.3300 0.3366 0.4171 0.5275 0.6805 0.6160 0.4810 0.8346 1.1698 1.5104 1.6312 0.8513 1.5398 0.5124 1.6699 1.0710 1.3564 0.7414 2.1138 0.5182 1.7765 0.7423 0.5512 0.6626 0.6870 1.1371 0.7387 0.9604 1.2249 1.6813 0.7542 0.6762 0.7790 0.8114 3.0375 0.7865 3.2641 3.0032 1.4795 1.9786 1.4581 1.7496 1.3261 1.3676 1.9627 1.1905 1.5610 1.0350 0.9075 1.3058 1.2189 1.1548 1.4995 1.8685 2.0686 2.5700 2.4046 2.0568 1.9693 3.3649 3.3571 3.8087 2.1740 1.4712 1.6243 3.3544 1.4130 1.4290 1.4446 1.7979 2.0744 2.4013 1.8308 3.2490 3.0451 1.3446 1.3603 1.3644 1.4124 1.4427 2.7549 1.4516 5.0265 3.6079 8.0863 9.8526 8.5653 9.2958 5.5701 5.5973 5.8113 5.6743 6.1585 6.1613 6.1874 6.2186 6.2729 6.2101 6.3110 6.3911 6.4268 6.4761 6.4826 6.4933 6.5222 6.5819 6.5788 6.6354 6.8244 6.8936 9.0226 0.1665 0.0241 0.1409 0.6214 0.1716 0.6498 1.1157 1.3075 1.1874 3.5349 0.7688 1.5372 0.4269 0.8687 5.3576 1.1666 17.5029 0.3489 28.6839 72.5623 65.8982 40.4739 48.4703 1.4834 19.7121 2.7149 0.8894 1.3045 0.0796 0.9726 18.9755 2.8075 2.5154 15.3317 3.5570 39.6661 0.2041 0.8525 73.2222 1.3058 76.3284 5.0161 15.8871 5.2084 86.0587 76.7386 1.2206 12.4900 97.0153 1.9949 26.7383 6.9537 28.0330 4.1564 1.4873 11.3185 21.8230 1.4579 0.3003 0.6601 1.6621 239.8329 0.6738 4.2587 21.8248 76.8191 30.4932 10.1200 158.9628 42.9626 39.7607 4.6481 10.6683 69.0481 22.2162 0.2712 198.5627 140.9454 77.9577 63.4033 40.2833 92.7473 194.1757 15.4025 26.6981 39.5532 8.8377 4.2438 7.6421 7.5323 1.4544 0.4200 32.6634 8.8623 7.9305 18.6213 12.3705 3.4823 4.8194 8.9994 72.3295 5.5838 2.2391 1.7301 3.0793 11.4992 11.6145 172.5758 16.0392 82.6598 100.6026 4.7612 11.7916 39.5741 45.2607 61.1548 23.2715 12.8316 48.2316 17.6154 50.3867 97.9609 35.2908 44.1656 13.0265 44.5056 4.5767 2.5712 27.8743 2.8232 2.0277 31.5359 17.8866 5.4400 8.0951 0.6220 6.4926 123.3866 -0.13 0.01 0.02 -0.02 0.12 -0.06 0.07 0.07 -0.05 0.16 0.05 -0.04 0.17 0.08 -0.08 -0.03 -0.07 0.05 -0.04 -0.00 0.02 -0.01 0.07 -0.03 -0.06 -0.07 0.05 -0.07 -0.13 0.07 0.06 -0.09 0.07 -0.02 0.11 -0.05 0.08 0.09 -0.07 -0.02 0.11 -0.05 -0.03 0.08 -0.04 0.22 0.06 -0.06 -0.03 0.03 -0.01 -0.02 0.07 -0.03 -0.03 0.05 -0.02 -0.03 -0.04 0.02 -0.00 -0.08 0.03 -0.07 -0.07 0.04 -0.01 -0.14 0.06 -0.08 -0.13 0.07 -0.05 -0.17 0.08 -0.00 -0.02 0.02 -0.05 0.10 -0.04 -0.03 -0.04 0.03 -0.12 -0.06 0.03 -0.06 -0.12 0.07 -0.14 -0.13 0.06 -0.06 -0.19 0.10 -0.05 -0.13 0.07 0.08 -0.09 0.07 0.06 -0.15 0.09 0.09 -0.06 0.06 -0.13 0.05 0.00 0.02 0.11 -0.08 -0.01 0.13 -0.06 -0.03 0.09 -0.04 0.29 0.05 -0.06 -0.02 0.06 -0.02 -0.03 0.02 -0.01 0.03 -0.05 0.01 -0.10 -0.04 0.03 0.02 -0.17 0.07 -0.11 -0.16 0.08 -0.05 -0.23 0.10 0.01 -0.01 0.08 0.00 -0.03 0.00 -0.00 -0.02 -0.03 -0.01 -0.05 -0.04 -0.02 -0.02 -0.08 -0.00 0.02 0.02 0.01 -0.02 0.03 0.00 -0.01 -0.00 -0.03 0.10 0.02 0.00 0.01 0.09 -0.00 -0.01 -0.04 0.01 -0.00 -0.01 -0.01 -0.01 -0.06 -0.00 -0.10 0.03 0.01 0.12 -0.05 -0.02 -0.05 -0.07 0.01 0.02 -0.01 0.00 -0.09 0.03 0.01 0.13 -0.05 0.01 0.02 0.00 0.00 0.10 -0.15 0.01 -0.08 0.17 0.00 0.09 -0.13 0.01 -0.10 0.19 0.01 -0.01 0.04 0.01 -0.06 0.03 -0.01 0.01 -0.00 -0.03 0.12 -0.03 -0.04 0.12 0.06 -0.03 0.12 0.02 0.00 0.03 0.14 -0.00 0.03 0.08 0.02 -0.05 0.10 0.01 -0.06 -0.04 -0.01 0.02 -0.04 -0.01 0.01 -0.09 0.02 -0.03 0.09 -0.01 0.01 -0.05 -0.01 -0.18 0.06 0.02 0.20 -0.08 -0.03 -0.06 -0.09 -0.00 -0.17 0.06 0.02 0.23 -0.09 0.00 0.18 -0.28 0.01 -0.15 0.29 0.00 0.16 -0.25 0.01 -0.18 0.32 0.01 -0.03 0.06 0.02 0.00 -0.11 0.02 -0.01 -0.11 -0.02 -0.01 -0.06 0.06 0.02 -0.04 -0.12 -0.02 -0.05 -0.04 0.02 0.10 0.02 0.02 -0.03 -0.00 -0.01 -0.08 -0.17 -0.04 0.08 0.00 0.04 0.16 -0.01 0.04 0.18 0.02 -0.04 -0.09 -0.13 -0.02 -0.06 0.04 -0.05 -0.07 -0.00 -0.04 -0.07 -0.00 0.01 -0.03 0.02 -0.04 -0.03 0.04 -0.05 -0.04 -0.00 -0.04 -0.04 0.03 -0.00 0.01 -0.01 0.01 0.07 0.09 0.03 0.00 0.00 0.04 0.12 0.10 0.06 0.06 0.06 0.06 0.12 0.10 0.08 -0.02 -0.03 -0.03 -0.08 -0.17 -0.03 0.05 -0.22 -0.04 0.02 -0.20 -0.07 0.17 -0.02 0.03 0.12 -0.04 0.05 0.25 0.09 0.07 0.17 0.11 0.07 0.19 -0.06 0.05 0.29 -0.06 0.02 0.12 0.04 0.03 -0.16 -0.20 -0.05 -0.08 0.05 -0.06 -0.08 -0.03 -0.04 -0.08 0.03 0.03 -0.01 0.06 -0.05 -0.04 -0.02 -0.04 -0.02 -0.05 -0.01 0.07 0.12 0.02 -0.04 -0.03 0.05 0.17 0.14 0.08 0.05 0.06 0.09 0.16 -0.01 -0.01 0.04 -0.00 0.00 -0.08 -0.01 -0.01 0.01 -0.06 0.04 0.03 0.12 -0.01 0.14 -0.03 0.03 -0.02 -0.01 -0.02 -0.01 -0.02 -0.03 -0.04 -0.09 0.22 -0.04 -0.03 -0.03 0.15 0.02 -0.04 -0.17 -0.01 -0.02 -0.07 0.10 -0.04 0.08 0.00 -0.03 -0.06 -0.02 -0.03 -0.05 0.02 0.04 0.10 -0.00 -0.03 -0.03 0.01 -0.03 -0.04 -0.02 -0.03 -0.04 0.00 -0.02 -0.01 -0.02 -0.02 0.04 0.03 0.01 -0.04 -0.01 -0.01 0.07 0.03 0.02 -0.01 0.01 0.01 0.05 -0.00 -0.07 -0.02 -0.04 -0.06 -0.05 -0.06 0.29 -0.16 -0.15 0.29 0.06 -0.10 0.24 -0.03 -0.06 0.03 0.28 -0.04 0.01 0.13 -0.00 -0.19 0.17 0.05 -0.18 -0.17 0.02 -0.02 -0.18 0.04 0.01 -0.28 0.01 -0.04 0.04 0.17 -0.08 0.09 0.01 -0.03 -0.07 -0.03 -0.03 -0.06 -0.00 0.08 0.13 0.02 -0.03 -0.04 -0.03 -0.04 -0.03 -0.04 -0.04 0.05 0.04 0.02 -0.07 -0.03 -0.02 0.11 0.05 0.04 -0.02 0.02 0.02 0.07 0.02 -0.05 0.06 0.01 -0.05 0.03 -0.01 -0.05 0.03 -0.07 -0.06 0.02 -0.14 -0.07 0.01 0.02 -0.03 0.01 0.01 -0.05 0.03 0.01 -0.05 0.03 0.03 -0.01 0.01 0.02 -0.02 0.01 -0.01 -0.03 -0.01 0.02 0.06 -0.04 -0.05 -0.06 0.03 0.01 0.07 -0.05 0.04 0.15 -0.08 -0.15 -0.06 0.01 0.03 0.18 -0.11 0.02 0.14 -0.08 0.04 0.20 -0.11 0.03 0.11 -0.08 0.08 -0.01 0.04 -0.02 0.10 -0.11 0.07 -0.14 0.15 -0.03 -0.03 -0.01 0.02 -0.16 0.13 0.00 -0.07 0.03 0.01 -0.06 0.03 0.02 -0.02 0.01 0.06 -0.01 0.03 0.04 0.01 -0.00 0.04 -0.02 0.02 0.02 -0.01 -0.00 0.01 -0.03 0.01 -0.02 -0.05 -0.02 -0.01 -0.01 -0.03 -0.02 -0.04 -0.02 0.03 -0.07 0.06 -0.02 -0.06 0.03 -0.00 0.01 -0.02 0.05 0.16 -0.08 -0.21 -0.07 0.00 0.00 0.13 -0.09 0.05 0.25 -0.13 0.13 -0.00 0.07 -0.06 0.18 -0.20 0.11 -0.24 0.26 -0.08 -0.03 -0.03 0.01 -0.26 0.23 0.05 -0.02 -0.12 0.00 -0.04 0.03 -0.01 -0.03 0.01 -0.10 -0.03 -0.00 0.05 -0.02 0.02 -0.00 0.01 0.02 0.02 0.01 -0.03 0.01 -0.03 0.01 -0.05 -0.00 0.01 0.01 0.01 0.05 0.01 0.01 0.03 0.01 -0.00 0.01 0.07 -0.02 0.03 0.02 0.19 -0.07 -0.01 -0.16 0.07 -0.06 -0.03 0.00 0.00 0.07 -0.03 0.02 0.22 -0.09 -0.00 -0.12 0.05 -0.00 0.05 -0.03 0.01 0.08 -0.11 -0.03 -0.03 0.08 0.01 0.03 -0.08 -0.03 -0.08 0.12 -0.02 -0.05 0.04 0.02 0.08 -0.02 0.02 -0.03 0.01 -0.03 0.03 -0.00 -0.10 0.01 -0.01 -0.06 -0.05 0.05 0.02 0.02 0.06 0.00 0.03 0.07 0.04 -0.00 0.06 0.08 0.00 0.04 -0.02 0.03 0.09 -0.02 0.00 -0.02 0.04 0.01 -0.12 0.15 -0.01 0.04 0.03 0.31 -0.11 -0.02 -0.32 0.12 -0.11 -0.04 -0.01 0.04 0.35 -0.13 0.00 -0.24 0.08 0.02 0.13 -0.18 -0.06 -0.03 0.14 0.02 0.06 -0.15 -0.05 -0.14 0.21 -0.02 -0.09 0.07 -0.01 0.01 0.21 -0.00 -0.02 -0.03 -0.02 -0.01 0.01 0.07 -0.01 0.03 0.07 -0.01 0.02 -0.01 0.04 -0.00 -0.03 -0.02 0.07 -0.04 -0.01 0.01 0.09 -0.03 0.01 0.02 0.11 -0.13 -0.11 0.08 0.02 -0.01 -0.04 -0.06 -0.02 -0.01 0.01 -0.03 0.01 -0.09 -0.01 -0.09 -0.05 0.12 -0.00 0.03 -0.02 -0.02 -0.10 -0.02 0.01 -0.11 -0.01 -0.08 -0.07 -0.02 0.01 -0.08 -0.06 0.04 -0.05 0.03 -0.00 -0.02 -0.05 0.04 0.05 0.05 -0.01 0.10 0.00 0.01 0.14 -0.04 -0.12 0.06 -0.08 -0.01 0.00 -0.00 -0.14 0.08 0.26 -0.09 0.02 0.09 0.10 -0.05 0.07 0.06 -0.21 0.02 0.10 -0.13 -0.01 0.21 -0.14 -0.27 0.16 0.01 -0.05 0.06 -0.11 -0.06 0.05 0.19 0.04 -0.07 0.19 -0.09 -0.02 -0.00 -0.03 0.04 -0.09 -0.01 -0.14 -0.03 0.20 0.00 0.05 -0.02 0.04 -0.12 -0.01 -0.12 -0.06 -0.10 0.05 -0.11 0.06 -0.02 -0.04 -0.08 0.06 0.07 0.09 -0.02 0.15 0.01 0.01 0.23 0.12 -0.01 -0.15 -0.04 -0.10 0.07 -0.06 -0.07 -0.02 -0.04 -0.11 -0.03 0.29 -0.04 -0.02 -0.04 0.09 0.02 0.01 0.03 -0.04 -0.03 -0.06 0.01 -0.08 0.01 0.01 0.04 0.17 0.00 -0.08 0.13 0.09 -0.04 -0.04 0.04 0.15 -0.03 -0.01 -0.05 -0.09 0.06 -0.03 0.08 -0.01 0.16 -0.09 -0.03 -0.03 0.05 0.00 -0.04 -0.04 0.04 -0.02 0.12 -0.03 -0.04 0.04 -0.00 -0.01 -0.01 0.04 -0.06 0.05 -0.04 -0.02 -0.05 0.05 -0.06 0.02 -0.04 -0.04 -0.03 0.01 0.01 0.13 -0.03 0.00 -0.05 0.02 -0.09 -0.01 0.03 -0.08 -0.01 -0.04 -0.09 0.00 0.05 0.09 0.14 -0.04 -0.00 0.22 0.05 0.07 0.23 0.00 -0.06 0.18 0.09 -0.10 0.15 0.12 -0.11 0.10 0.11 0.12 -0.02 -0.15 0.19 0.00 0.00 -0.05 -0.16 0.08 -0.02 0.13 -0.03 0.22 -0.11 -0.04 -0.06 -0.08 0.05 -0.02 0.20 -0.05 0.01 -0.02 0.07 -0.07 0.08 -0.07 -0.00 -0.09 0.09 -0.08 0.03 -0.08 -0.04 -0.06 0.02 0.07 -0.03 -0.05 -0.02 -0.05 0.01 0.02 -0.05 0.01 0.30 -0.00 0.07 -0.12 -0.07 0.03 0.01 0.03 -0.05 0.02 -0.02 -0.05 0.01 -0.06 -0.02 -0.02 0.12 -0.06 0.02 0.03 0.02 0.01 0.01 -0.11 -0.02 -0.01 0.02 -0.23 -0.09 -0.01 -0.00 0.05 0.01 -0.04 -0.01 0.04 0.21 -0.02 0.08 -0.02 0.06 0.04 0.00 0.08 0.02 -0.03 0.02 0.05 -0.02 0.04 0.03 0.01 0.02 0.01 -0.07 0.02 0.03 -0.00 -0.01 -0.03 -0.08 -0.01 -0.01 -0.05 -0.03 -0.05 0.00 -0.01 -0.05 0.03 -0.07 -0.01 -0.02 0.14 -0.11 -0.03 0.14 -0.01 -0.02 0.15 -0.06 0.04 0.05 0.08 0.01 0.07 0.01 0.04 -0.04 0.03 -0.00 -0.02 -0.11 0.01 0.02 -0.12 0.02 0.02 -0.13 0.08 -0.06 -0.05 -0.48 -0.14 -0.06 0.00 0.05 0.00 -0.06 -0.05 0.05 0.39 0.02 0.13 0.02 0.12 0.01 -0.04 0.01 0.06 0.04 0.03 0.02 -0.10 0.03 0.06 0.03 -0.03 -0.06 -0.12 -0.03 -0.01 -0.05 -0.05 -0.08 -0.03 -0.03 0.15 -0.00 -0.00 -0.15 -0.01 -0.04 -0.06 -0.05 0.01 -0.05 0.03 -0.04 0.04 -0.05 0.00 0.01 -0.01 -0.07 0.00 -0.02 -0.05 -0.10 -0.06 -0.04 0.01 0.01 0.08 -0.01 -0.13 0.04 0.04 0.01 0.03 -0.09 0.04 -0.07 -0.00 0.10 0.06 -0.07 -0.05 0.04 -0.03 -0.03 0.01 0.02 0.04 0.04 0.11 0.11 0.07 0.04 -0.04 0.05 0.07 0.04 -0.01 0.15 0.09 -0.03 0.10 -0.02 -0.02 0.12 0.08 -0.02 -0.07 -0.04 -0.01 -0.05 0.02 0.01 -0.16 0.03 -0.18 0.00 -0.06 -0.06 -0.10 -0.15 -0.13 0.02 0.05 -0.09 -0.00 -0.09 0.06 0.01 0.03 0.03 -0.12 -0.03 0.09 0.07 0.08 0.19 -0.02 -0.24 0.10 0.03 -0.09 0.03 -0.04 -0.10 0.02 0.15 0.05 -0.12 0.09 0.08 -0.12 -0.00 0.15 0.07 -0.11 -0.12 0.03 -0.06 -0.06 0.04 0.04 0.18 0.10 0.05 -0.09 0.06 0.11 0.14 -0.04 0.15 -0.05 -0.02 0.18 0.12 -0.02 -0.13 -0.09 0.00 -0.09 0.00 0.04 -0.31 0.15 -0.03 0.02 0.01 0.07 -0.07 0.14 -0.03 0.03 0.03 -0.05 0.01 -0.05 -0.05 -0.01 0.11 0.00 0.03 0.10 -0.03 0.01 0.07 -0.04 -0.01 0.11 0.00 0.03 0.15 0.03 0.05 0.11 0.01 0.04 -0.01 0.11 -0.08 0.09 -0.04 0.02 -0.04 0.10 -0.08 -0.04 0.11 -0.06 -0.09 -0.06 -0.02 -0.10 -0.07 0.00 -0.06 -0.00 -0.04 -0.06 0.00 -0.02 -0.12 -0.09 0.05 -0.18 -0.05 0.07 -0.09 -0.07 0.04 -0.18 0.04 0.03 -0.08 0.03 -0.00 -0.13 0.09 -0.02 0.12 -0.03 0.02 0.04 -0.07 -0.02 0.06 -0.05 0.03 0.19 -0.02 0.04 0.10 0.07 0.02 0.16 0.02 0.04 0.12 0.06 0.09 0.19 0.04 0.06 0.15 0.00 0.04 0.10 0.01 0.07 0.10 0.00 0.01 0.23 -0.11 -0.06 0.16 -0.03 0.03 -0.05 0.12 -0.08 -0.06 0.14 -0.08 -0.20 -0.07 -0.04 -0.04 -0.03 -0.03 -0.06 -0.04 -0.01 -0.23 -0.08 0.07 -0.06 -0.09 0.04 -0.21 0.07 0.03 -0.03 0.06 -0.02 -0.12 0.17 -0.06 0.05 0.02 0.11 0.01 -0.05 -0.03 0.02 0.02 -0.17 -0.02 0.17 -0.13 -0.00 0.01 0.08 0.07 -0.02 0.00 0.08 -0.02 -0.04 0.05 0.02 -0.14 0.03 -0.06 0.00 0.10 -0.01 0.04 0.10 -0.01 0.05 -0.00 -0.13 0.05 0.04 -0.06 -0.05 -0.02 -0.16 0.07 -0.04 -0.12 0.07 -0.04 0.16 0.02 -0.03 0.07 0.01 -0.02 -0.04 0.04 -0.03 -0.01 0.05 -0.05 0.13 -0.04 -0.01 0.10 -0.05 -0.11 0.11 -0.05 -0.02 -0.02 0.00 -0.13 0.00 -0.00 -0.09 -0.08 0.05 0.14 -0.13 -0.04 0.08 0.10 -0.13 0.00 -0.08 -0.00 0.04 -0.08 -0.03 0.01 -0.05 0.03 0.07 -0.03 -0.02 0.07 -0.03 0.13 0.19 0.04 0.04 0.21 -0.01 0.06 0.05 0.01 0.15 0.05 -0.03 -0.02 0.07 -0.04 0.12 0.08 -0.19 -0.06 -0.02 -0.20 0.09 -0.06 -0.15 0.07 -0.08 0.25 0.09 -0.01 -0.02 0.04 -0.02 0.02 0.03 0.03 0.12 -0.06 -0.15 0.15 -0.05 0.02 -0.07 0.02 -0.18 -0.03 0.01 -0.09 -0.17 0.12 -0.04 -0.06 -0.03 -0.00 0.07 0.01 0.12 0.00 0.00 0.06 0.01 -0.01 -0.04 -0.01 -0.00 -0.04 -0.02 -0.02 -0.00 -0.07 -0.03 0.04 -0.00 -0.01 -0.09 -0.00 -0.02 0.04 0.06 0.04 -0.11 -0.00 -0.05 0.01 0.05 0.06 0.07 -0.01 0.00 -0.01 0.02 0.06 0.03 0.02 0.05 -0.04 0.00 -0.01 0.00 -0.02 0.01 -0.03 -0.02 0.03 0.03 -0.02 0.02 -0.00 -0.00 -0.05 -0.01 0.01 -0.05 0.01 0.01 -0.06 -0.01 0.00 -0.00 0.02 -0.00 -0.00 0.01 -0.02 0.05 -0.00 -0.08 -0.03 0.05 0.00 -0.01 -0.15 -0.05 -0.05 -0.02 -0.03 -0.02 -0.12 0.08 0.00 -0.06 -0.04 -0.22 -0.06 -0.03 0.36 0.31 0.30 0.04 -0.44 0.07 -0.07 0.03 -0.09 -0.33 0.03 0.02 0.21 -0.05 -0.04 -0.02 0.10 -0.02 0.01 -0.03 0.03 0.08 0.07 0.02 0.06 -0.11 0.01 -0.01 -0.06 -0.03 0.03 0.05 -0.04 0.01 -0.02 0.02 -0.08 0.03 0.01 -0.08 -0.02 0.01 0.01 0.03 -0.00 0.01 0.01 -0.04 0.11 0.02 -0.00 0.09 -0.01 -0.08 0.13 -0.02 -0.02 -0.09 -0.00 0.07 -0.07 0.01 -0.02 0.05 -0.01 -0.00 -0.05 0.01 -0.03 -0.04 0.03 -0.00 -0.03 -0.12 -0.05 -0.05 0.02 0.03 -0.03 -0.01 0.01 0.01 0.01 0.07 0.06 -0.02 -0.07 -0.03 -0.02 0.12 0.03 0.05 0.10 0.02 0.02 0.06 0.03 -0.00 -0.04 -0.02 -0.04 0.05 -0.01 0.04 0.02 -0.02 -0.00 -0.09 -0.02 -0.04 -0.06 -0.00 0.05 -0.08 -0.01 -0.03 0.01 0.01 0.07 -0.00 0.00 0.02 0.04 0.00 -0.01 -0.11 -0.05 0.10 0.09 -0.01 0.06 0.12 -0.07 -0.41 0.01 -0.15 -0.10 -0.34 0.05 0.10 0.05 0.06 0.02 0.11 -0.13 -0.05 -0.06 -0.03 0.26 -0.03 0.02 -0.12 0.10 0.23 -0.13 -0.03 -0.19 0.01 -0.05 0.15 -0.03 -0.14 -0.04 -0.05 0.14 0.05 0.11 0.11 0.04 0.04 0.12 0.08 -0.08 0.05 -0.03 0.07 0.00 -0.04 -0.09 -0.08 -0.01 0.09 -0.10 -0.03 -0.08 0.05 0.01 0.12 0.02 0.00 0.03 0.10 -0.01 -0.02 0.00 -0.07 -0.00 -0.10 0.08 -0.10 0.00 -0.07 -0.05 0.06 -0.05 0.03 0.01 0.03 0.03 -0.02 0.04 0.01 0.01 0.01 -0.01 0.01 -0.01 0.11 0.02 0.05 0.02 -0.04 0.07 -0.01 -0.04 -0.02 -0.00 -0.01 0.01 -0.06 -0.02 -0.03 -0.01 0.04 -0.01 0.01 0.03 -0.02 0.03 0.06 0.01 -0.00 0.00 -0.02 -0.01 0.04 -0.03 0.01 0.03 -0.03 -0.00 -0.04 0.02 -0.02 -0.04 0.04 0.02 -0.05 0.03 -0.01 0.00 0.01 0.02 -0.00 0.01 0.00 0.04 -0.03 0.04 0.06 0.02 0.01 0.08 -0.00 -0.08 -0.16 0.07 0.41 -0.05 0.14 0.09 0.32 -0.05 -0.12 -0.10 -0.14 -0.03 -0.17 0.33 0.24 0.15 0.08 -0.27 -0.01 -0.04 0.10 -0.09 -0.25 0.08 -0.02 0.16 -0.10 0.09 -0.01 -0.09 -0.06 -0.04 -0.02 0.04 -0.01 0.03 0.03 -0.01 0.09 0.10 0.05 -0.01 0.05 -0.04 0.01 0.04 -0.04 -0.03 -0.05 0.04 0.03 -0.06 0.04 -0.03 0.02 0.00 0.04 0.01 0.00 0.01 0.08 -0.07 0.03 -0.04 -0.04 -0.00 0.01 -0.00 0.03 0.00 -0.04 0.01 0.04 -0.03 -0.01 -0.00 0.01 -0.02 -0.01 0.03 0.00 -0.02 0.02 0.01 -0.00 -0.02 0.05 -0.00 0.04 -0.03 -0.02 0.03 -0.10 0.00 0.00 0.00 0.02 0.01 0.02 -0.02 -0.02 -0.00 0.01 0.01 0.01 0.01 0.01 -0.01 0.03 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 0.03 0.01 0.02 -0.01 0.03 -0.02 0.01 -0.05 0.08 0.15 -0.03 0.08 0.06 0.07 -0.02 0.18 0.13 0.45 0.07 0.20 -0.41 -0.36 -0.41 0.03 -0.26 0.03 -0.01 -0.05 0.01 -0.13 -0.07 -0.01 0.12 0.09 -0.06 -0.13 0.03 -0.05 -0.02 -0.00 0.02 0.02 0.01 0.01 0.01 -0.03 0.06 0.01 -0.01 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.00 -0.02 0.01 0.00 -0.02 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 0.03 -0.00 -0.04 0.01 -0.02 0.04 -0.03 -0.09 0.02 0.03 -0.05 -0.00 0.03 0.03 0.05 -0.02 0.02 -0.04 -0.01 0.01 -0.04 -0.00 -0.02 -0.00 0.00 0.02 -0.08 -0.01 0.12 0.04 0.07 -0.06 -0.05 -0.07 -0.01 0.04 0.00 -0.06 0.06 0.00 -0.00 0.02 0.01 -0.01 0.02 0.01 0.04 0.01 -0.00 -0.00 -0.02 0.03 -0.01 -0.01 0.03 -0.01 -0.01 0.03 0.01 -0.00 -0.01 0.01 0.01 -0.04 0.01 0.01 -0.03 0.01 -0.00 -0.01 0.02 0.00 -0.01 0.02 -0.02 0.03 -0.01 -0.05 -0.01 -0.03 -0.04 -0.00 -0.11 -0.21 0.03 0.21 -0.15 -0.02 -0.01 0.09 -0.03 0.20 0.04 0.10 0.06 0.16 0.12 0.21 0.01 0.08 0.26 -0.22 -0.05 -0.21 0.17 0.17 -0.26 -0.11 -0.39 0.21 -0.15 -0.24 -0.10 0.10 0.00 0.00 0.04 0.00 -0.01 0.03 0.01 0.11 -0.02 -0.02 -0.01 -0.02 0.03 -0.01 -0.02 0.03 0.01 0.02 -0.05 0.02 0.02 -0.05 0.01 0.00 -0.01 0.02 -0.00 -0.01 0.02 -0.04 0.07 -0.05 0.02 -0.01 -0.05 0.03 -0.04 0.01 -0.05 -0.05 0.00 -0.03 -0.04 -0.00 -0.08 0.03 -0.02 0.03 0.02 -0.03 0.02 -0.00 -0.03 -0.03 -0.04 0.06 0.09 0.02 -0.08 -0.01 -0.05 0.08 0.03 0.08 -0.03 0.08 0.02 0.01 -0.10 -0.01 -0.01 0.07 0.04 -0.03 0.06 0.03 -0.01 -0.03 0.01 -0.00 -0.05 0.06 -0.02 -0.01 0.07 -0.02 -0.02 0.06 0.01 -0.02 -0.03 0.02 0.01 -0.08 0.04 0.02 -0.08 0.02 0.00 -0.03 0.05 -0.00 -0.02 0.05 -0.04 0.05 0.01 0.02 0.00 -0.04 -0.02 -0.04 -0.14 -0.08 0.01 0.38 0.03 0.15 0.04 0.43 -0.09 -0.15 -0.04 -0.15 -0.05 -0.12 -0.00 -0.08 0.09 -0.06 0.36 0.02 0.10 -0.03 0.04 0.34 0.00 0.03 -0.09 -0.03 0.02 -0.04 0.02 -0.16 -0.02 -0.00 0.08 0.03 -0.02 0.08 0.03 -0.02 0.00 0.04 -0.03 -0.02 0.07 -0.03 -0.04 0.07 0.01 0.02 -0.11 0.06 0.02 -0.12 0.01 0.02 -0.03 0.06 0.00 -0.02 0.06 -0.08 0.14 0.10 0.04 0.06 -0.01 -0.00 -0.03 -0.10 -0.01 0.00 -0.06 -0.02 0.01 0.02 0.01 -0.01 0.03 0.01 -0.01 0.02 0.03 -0.01 -0.02 -0.01 -0.02 -0.04 -0.03 -0.02 -0.02 -0.06 0.01 0.07 0.00 0.00 -0.00 0.04 -0.01 -0.06 0.01 -0.00 0.01 0.04 -0.00 -0.02 0.05 0.00 0.02 -0.01 0.00 -0.00 -0.04 0.06 0.01 -0.01 0.05 -0.02 -0.01 0.05 -0.00 -0.01 -0.01 -0.00 0.02 -0.05 0.01 0.02 -0.06 -0.00 0.01 -0.02 0.01 0.00 -0.02 0.01 -0.03 0.05 0.01 0.00 -0.02 -0.02 -0.04 -0.02 0.04 0.04 -0.03 -0.18 -0.01 -0.09 -0.04 -0.18 0.06 -0.08 -0.05 0.02 -0.00 -0.11 0.03 0.00 -0.08 0.02 -0.34 0.13 -0.03 0.25 -0.19 -0.33 0.27 0.06 0.35 0.36 -0.16 -0.20 -0.10 0.02 -0.01 0.03 0.06 -0.02 -0.03 0.07 -0.01 0.08 -0.02 0.00 0.02 -0.01 0.05 -0.03 -0.01 0.06 -0.01 0.03 -0.08 0.02 0.03 -0.09 -0.01 0.01 -0.02 0.02 0.01 -0.02 0.01 -0.06 0.12 0.06 -0.01 0.04 -0.05 0.01 0.03 0.05 0.02 0.01 0.03 0.03 0.00 -0.02 0.02 -0.01 -0.02 0.00 -0.02 -0.02 -0.01 -0.01 -0.03 -0.01 0.00 -0.05 -0.00 -0.02 -0.04 -0.01 -0.02 0.05 -0.00 0.02 -0.05 -0.03 0.04 0.03 0.03 -0.00 -0.07 -0.02 0.03 -0.03 -0.05 0.01 -0.02 0.02 -0.01 -0.02 0.05 -0.07 -0.06 0.02 -0.03 -0.02 0.02 -0.05 0.01 0.01 -0.00 0.04 -0.03 0.05 0.03 -0.02 0.05 0.05 -0.02 0.01 0.04 -0.01 0.03 0.05 0.02 -0.05 -0.04 -0.04 -0.01 -0.02 0.01 0.00 -0.24 -0.17 -0.04 0.18 -0.08 0.00 -0.11 0.26 -0.03 -0.05 -0.02 -0.04 -0.03 -0.04 -0.01 -0.03 0.01 -0.02 0.07 0.02 0.02 0.06 -0.07 0.04 0.09 0.03 0.02 0.52 -0.30 -0.48 0.05 0.03 0.00 -0.08 -0.03 0.04 0.01 -0.08 0.04 -0.06 0.02 -0.02 -0.10 0.01 -0.04 -0.01 0.03 -0.07 0.06 -0.05 0.09 0.04 -0.03 0.07 0.04 -0.01 0.01 0.03 -0.02 0.04 0.05 0.06 -0.13 0.05 0.03 0.01 0.00 -0.01 0.00 -0.00 0.00 0.02 -0.00 -0.02 0.02 0.00 0.00 -0.01 -0.00 0.01 -0.04 0.01 0.02 -0.04 0.01 0.00 -0.01 -0.08 -0.06 -0.05 0.00 -0.01 0.03 0.04 0.02 -0.01 -0.00 -0.00 0.01 -0.00 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.00 -0.05 0.01 -0.03 -0.01 -0.36 -0.33 -0.03 0.28 -0.21 -0.09 -0.17 0.30 -0.03 0.04 0.05 0.19 0.01 0.06 -0.07 -0.05 -0.18 0.04 0.00 0.05 -0.01 0.07 -0.04 -0.03 0.08 0.03 0.05 -0.32 0.16 0.50 0.00 0.03 0.02 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.03 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -0.02 -0.03 -0.10 0.04 -0.00 0.02 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.03 0.00 0.01 -0.01 -0.00 0.01 -0.04 0.00 -0.00 0.07 -0.03 0.02 0.08 0.04 0.05 0.03 -0.00 -0.01 -0.13 0.02 -0.02 0.01 -0.01 -0.01 -0.11 0.01 -0.01 -0.12 -0.02 -0.02 -0.01 0.01 0.00 -0.05 0.01 -0.01 -0.09 -0.01 0.01 -0.11 -0.01 -0.02 0.02 0.02 0.01 0.08 -0.02 -0.00 0.07 0.02 0.02 0.10 -0.02 -0.03 0.08 -0.00 0.02 0.12 -0.02 -0.02 -0.01 0.02 0.01 -0.05 0.02 0.00 0.28 0.14 0.06 -0.19 0.04 -0.05 0.14 -0.34 0.03 0.13 0.04 0.10 0.05 0.11 0.06 0.12 -0.00 0.06 -0.08 0.00 -0.02 0.08 -0.03 -0.11 0.08 0.02 0.05 -0.34 0.15 0.47 0.02 -0.03 -0.01 -0.09 0.00 -0.02 -0.12 -0.04 -0.01 -0.02 0.01 0.01 -0.12 -0.03 0.01 -0.14 -0.00 0.00 0.13 -0.02 0.03 0.08 0.02 -0.00 0.09 -0.01 -0.03 0.04 -0.03 0.03 0.11 -0.02 -0.04 0.27 -0.12 -0.03 0.01 -0.05 0.03 0.02 0.04 0.01 0.01 0.07 -0.00 -0.01 0.08 -0.02 -0.05 -0.04 0.05 -0.01 -0.05 0.06 -0.02 -0.02 0.04 -0.04 0.05 0.06 -0.11 -0.04 -0.10 -0.07 -0.07 -0.00 -0.00 -0.00 -0.04 0.01 0.08 -0.01 0.02 0.01 -0.04 -0.02 0.02 -0.04 -0.01 0.08 -0.02 0.00 -0.04 0.05 0.03 -0.02 0.02 -0.02 -0.01 0.03 0.00 -0.01 0.02 0.00 0.02 -0.03 -0.00 0.02 -0.02 0.00 0.01 -0.01 -0.01 0.01 -0.02 -0.00 -0.02 0.03 -0.03 0.01 0.06 -0.07 0.04 0.03 -0.06 0.06 -0.01 -0.01 0.08 0.15 -0.05 0.13 0.03 -0.17 -0.14 -0.36 -0.09 -0.20 0.01 -0.10 0.24 -0.13 0.08 -0.19 0.01 -0.14 0.02 0.11 -0.15 -0.08 -0.18 -0.07 -0.08 0.47 0.01 0.11 -0.01 0.05 0.03 -0.07 -0.06 0.03 -0.06 -0.01 0.07 -0.02 0.06 -0.01 0.03 -0.04 0.01 0.04 0.00 0.03 -0.05 -0.00 0.03 -0.04 0.00 0.01 -0.03 -0.01 0.02 -0.03 -0.00 -0.05 0.07 -0.04 -0.10 -0.00 -0.01 0.01 -0.02 -0.05 0.02 0.03 -0.05 0.01 0.03 0.02 0.05 -0.02 0.05 -0.09 -0.06 0.02 -0.10 -0.05 0.01 -0.02 -0.02 -0.01 0.15 -0.08 0.11 -0.05 -0.04 -0.00 0.01 0.17 -0.00 -0.01 0.02 -0.04 0.07 0.01 -0.01 -0.00 0.02 -0.00 -0.01 0.02 0.01 0.02 -0.01 -0.00 0.02 -0.01 -0.01 0.01 -0.00 0.00 0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.14 -0.05 0.04 -0.07 -0.02 0.02 0.25 -0.30 -0.06 0.27 0.14 -0.02 0.25 -0.11 0.19 -0.04 0.03 0.11 0.04 -0.11 0.07 -0.12 -0.04 -0.05 0.31 0.17 -0.00 -0.07 0.21 -0.02 -0.09 0.42 -0.13 -0.04 0.11 -0.06 0.11 0.01 -0.01 0.01 0.02 0.01 -0.01 0.03 0.05 -0.01 -0.03 -0.02 0.02 -0.00 0.01 0.03 -0.01 -0.01 -0.02 0.01 0.01 -0.02 -0.00 -0.01 0.00 0.01 0.02 -0.01 0.01 0.01 0.02 -0.01 0.15 0.01 0.01 0.01 0.19 -0.17 -0.08 -0.02 -0.02 -0.07 -0.04 -0.02 0.04 -0.04 0.01 -0.01 0.01 0.01 0.03 0.01 -0.02 -0.00 -0.01 -0.06 0.06 -0.01 0.02 -0.08 -0.08 0.02 -0.09 0.01 -0.01 0.03 0.04 0.11 -0.07 -0.05 -0.01 -0.02 -0.01 0.13 0.08 -0.04 0.12 0.04 -0.04 0.01 0.01 0.08 -0.10 -0.05 0.01 -0.02 0.08 0.02 -0.04 -0.00 0.02 -0.07 -0.01 -0.03 0.04 -0.00 -0.05 0.04 -0.02 -0.02 0.05 0.00 -0.02 0.04 -0.02 0.05 -0.07 0.05 0.01 -0.02 -0.04 -0.07 -0.07 0.16 0.06 0.07 -0.03 0.02 0.01 0.12 -0.15 -0.03 -0.25 -0.09 -0.08 -0.08 -0.24 0.17 0.02 -0.00 0.03 -0.04 -0.01 -0.00 -0.14 0.14 0.04 -0.19 -0.05 -0.07 -0.05 0.01 0.33 -0.12 -0.07 -0.02 -0.10 -0.01 0.19 0.17 -0.09 0.18 0.11 -0.03 0.03 -0.13 -0.03 -0.04 0.15 -0.03 -0.08 -0.02 -0.07 0.09 -0.00 -0.08 0.10 -0.02 -0.04 0.10 0.02 -0.04 0.08 -0.02 0.12 -0.15 0.03 0.02 0.03 -0.00 -0.04 0.07 0.03 0.01 0.02 0.03 0.00 0.02 -0.01 0.01 -0.01 -0.01 0.02 -0.10 -0.00 -0.00 -0.07 0.03 0.00 0.00 0.09 -0.02 -0.11 -0.07 -0.11 0.11 -0.11 0.11 0.04 -0.01 0.02 -0.04 0.03 0.02 0.01 -0.01 -0.00 -0.04 -0.01 0.02 -0.05 -0.01 0.00 -0.00 -0.01 -0.04 0.01 -0.00 -0.02 -0.01 -0.02 -0.05 0.00 0.00 0.02 0.02 0.02 0.02 0.01 -0.01 0.03 0.00 0.02 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.02 0.01 -0.05 -0.05 -0.08 0.10 -0.00 0.01 0.17 0.00 0.01 0.09 -0.02 -0.11 0.16 -0.10 -0.20 -0.33 -0.04 0.14 -0.11 -0.24 0.32 0.17 -0.21 0.15 0.04 0.27 0.05 -0.21 0.22 0.22 -0.26 -0.03 0.06 0.10 -0.07 -0.02 0.06 0.03 0.02 0.01 -0.02 -0.04 -0.02 0.04 -0.06 -0.04 -0.01 -0.01 0.01 -0.03 -0.00 -0.03 -0.07 0.02 0.04 0.02 0.02 -0.02 0.05 -0.01 0.03 0.00 -0.04 -0.04 -0.01 0.01 -0.00 -0.04 0.01 0.00 -0.01 -0.00 0.01 0.03 0.07 -0.03 -0.02 -0.03 -0.03 -0.01 -0.03 0.02 -0.03 0.02 0.01 -0.02 0.01 0.01 -0.00 0.01 0.02 0.02 0.03 -0.04 0.02 -0.00 0.03 -0.00 -0.03 0.01 -0.02 0.01 0.02 0.15 -0.04 -0.03 -0.04 -0.01 -0.03 0.08 -0.04 0.06 0.02 -0.03 0.02 -0.01 0.01 -0.01 -0.09 -0.06 -0.05 -0.16 -0.02 0.03 -0.14 -0.04 0.02 0.11 0.02 0.06 0.15 -0.05 -0.03 0.02 0.19 0.07 -0.07 0.13 -0.07 0.07 -0.09 -0.02 -0.01 -0.04 -0.01 0.01 0.01 0.03 0.06 0.03 -0.10 -0.01 -0.07 0.00 0.02 0.03 -0.08 0.11 0.03 0.07 -0.01 -0.03 0.04 0.02 -0.08 -0.02 0.01 -0.04 -0.02 -0.00 0.01 0.03 -0.04 -0.02 0.03 -0.02 0.05 -0.00 0.00 -0.01 -0.06 -0.07 -0.02 -0.07 0.07 -0.01 0.11 -0.04 0.01 0.05 0.02 0.03 -0.11 -0.29 0.01 0.06 -0.25 -0.05 0.12 0.22 -0.14 -0.08 -0.04 0.40 0.14 -0.22 0.27 -0.14 0.12 -0.20 -0.03 -0.05 -0.10 0.00 -0.00 -0.00 0.01 0.02 0.03 -0.03 -0.01 -0.02 -0.03 -0.01 -0.02 0.01 -0.02 0.01 0.01 -0.02 0.02 0.01 -0.00 0.01 0.01 0.01 0.02 -0.04 0.02 0.01 0.02 0.00 -0.03 0.01 -0.03 0.00 0.02 0.09 -0.02 -0.02 -0.03 -0.01 -0.02 -0.05 0.02 0.05 0.10 -0.05 0.01 -0.00 0.01 -0.00 -0.05 -0.04 -0.02 -0.02 -0.04 0.02 -0.16 0.00 0.01 0.07 0.01 0.04 -0.04 0.19 -0.03 0.14 -0.10 0.03 0.08 -0.13 -0.04 -0.08 0.16 -0.02 -0.00 -0.03 0.01 0.01 0.01 0.02 0.03 0.02 -0.09 -0.01 -0.04 -0.01 0.01 0.03 -0.07 0.09 0.04 0.07 -0.01 -0.04 0.03 0.02 -0.08 -0.04 0.03 -0.04 -0.02 -0.04 -0.00 0.02 -0.03 -0.03 0.02 -0.02 0.01 -0.01 0.01 0.00 -0.04 -0.05 -0.01 -0.06 -0.13 0.07 0.09 0.15 -0.05 0.04 0.01 0.02 -0.06 0.00 -0.07 0.03 -0.32 0.04 0.08 -0.14 0.39 -0.07 0.24 -0.22 0.06 0.14 -0.29 -0.08 -0.20 0.34 -0.02 -0.02 -0.07 0.01 -0.01 -0.00 -0.01 0.00 -0.02 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 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.02 0.01 0.00 0.01 0.00 -0.02 -0.20 0.08 0.00 0.17 -0.06 -0.00 0.00 -0.00 0.00 0.02 0.00 0.02 0.21 -0.07 -0.03 -0.17 0.07 0.00 -0.02 -0.01 -0.00 0.02 -0.07 0.01 -0.06 0.06 0.00 -0.03 0.06 0.02 0.03 -0.06 0.01 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 0.01 0.01 -0.02 -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 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.02 0.00 -0.04 -0.39 0.15 0.01 0.37 -0.13 -0.01 -0.00 -0.01 0.05 0.44 -0.15 -0.04 -0.37 0.15 -0.03 0.06 -0.15 0.01 -0.10 0.13 -0.00 -0.07 0.13 0.03 0.07 -0.13 0.01 0.02 -0.00 0.01 0.18 0.02 0.03 0.01 0.02 0.01 -0.01 -0.00 0.02 -0.03 0.01 0.00 -0.04 0.01 0.11 -0.07 0.05 0.11 0.10 -0.01 0.07 0.05 -0.01 -0.08 0.04 0.03 0.09 -0.13 -0.07 -0.15 -0.05 -0.00 -0.02 -0.02 -0.02 0.02 -0.03 0.01 -0.04 -0.02 -0.02 -0.06 -0.01 -0.00 -0.00 -0.04 0.01 -0.05 0.02 0.02 -0.04 0.02 -0.00 -0.06 0.03 0.02 -0.02 -0.01 0.01 0.01 -0.02 -0.02 0.02 -0.00 0.00 0.01 -0.01 -0.01 0.03 0.01 -0.01 0.05 -0.01 0.01 0.16 0.12 0.00 0.09 0.02 -0.01 -0.19 0.02 -0.19 -0.09 0.07 0.10 -0.19 0.20 0.17 0.06 -0.16 -0.15 0.14 -0.22 -0.12 -0.02 -0.04 -0.10 -0.19 -0.10 -0.01 -0.22 0.26 -0.04 -0.36 -0.23 -0.04 0.07 0.17 -0.08 0.04 -0.05 0.02 -0.04 -0.04 -0.02 -0.11 -0.02 -0.02 -0.02 -0.04 0.01 -0.01 0.03 0.01 -0.08 0.04 0.02 0.02 -0.01 -0.03 0.04 -0.01 -0.02 -0.01 0.01 -0.01 0.02 0.02 -0.03 0.05 -0.01 0.02 0.01 0.01 0.00 -0.00 0.05 -0.05 -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 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.13 0.12 -0.00 -0.01 -0.00 -0.02 0.02 0.04 0.04 0.01 0.03 0.00 -0.00 0.00 -0.02 -0.14 -0.04 -0.03 0.03 -0.12 0.01 0.01 -0.12 0.02 -0.08 0.23 0.03 0.05 0.05 -0.01 0.05 0.05 0.03 0.06 -0.09 -0.03 0.06 -0.08 -0.00 -0.09 0.12 0.01 0.00 -0.00 -0.03 -0.02 -0.02 0.01 0.01 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 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 0.01 -0.00 -0.01 -0.00 -0.09 0.25 0.02 0.16 0.24 -0.01 0.00 -0.00 0.00 -0.09 0.22 -0.22 0.10 0.19 -0.24 0.07 0.17 -0.14 -0.05 0.18 -0.12 0.06 0.16 -0.33 -0.09 0.18 -0.31 -0.01 -0.16 0.16 0.07 0.01 -0.02 -0.01 0.18 0.08 0.01 -0.01 -0.08 -0.01 -0.00 -0.09 0.01 -0.07 0.04 -0.00 -0.05 -0.08 -0.13 0.05 0.13 -0.11 0.10 0.20 -0.02 0.00 -0.12 0.08 -0.03 0.02 -0.01 -0.03 0.04 -0.02 0.00 -0.06 -0.01 -0.11 -0.05 0.03 -0.08 -0.03 0.02 -0.08 -0.07 0.00 -0.00 0.02 0.07 0.06 0.01 0.07 0.04 0.02 0.04 0.03 0.00 0.03 -0.05 0.04 -0.01 -0.01 0.00 -0.01 -0.04 -0.02 -0.02 0.04 -0.01 -0.01 0.00 -0.03 -0.04 -0.01 0.05 -0.36 0.18 0.11 -0.24 0.26 0.19 -0.04 0.00 -0.19 -0.01 0.02 -0.07 -0.05 0.07 -0.10 0.13 -0.02 0.06 -0.00 0.08 0.11 0.22 -0.08 0.04 0.01 0.11 0.04 -0.03 -0.06 0.10 -0.03 -0.07 0.13 0.08 -0.06 0.01 -0.04 -0.22 -0.06 0.09 -0.15 -0.06 -0.02 -0.14 -0.05 0.01 0.07 0.07 0.11 0.02 0.04 -0.03 0.02 0.06 -0.06 0.01 -0.06 -0.02 -0.00 -0.07 -0.02 0.07 -0.08 0.03 0.05 -0.09 -0.04 -0.01 0.07 0.07 0.18 0.02 -0.06 -0.06 -0.02 0.00 0.00 0.01 0.07 -0.01 0.03 -0.03 -0.01 -0.01 -0.13 -0.11 -0.02 -0.09 0.08 -0.10 -0.07 0.00 -0.06 0.05 0.02 -0.02 0.03 0.06 0.02 -0.05 -0.21 0.08 -0.02 -0.04 0.04 0.06 0.01 0.02 0.04 0.04 0.02 0.02 0.03 -0.01 -0.02 -0.02 -0.00 0.04 -0.07 0.01 0.03 -0.01 0.01 0.03 -0.02 -0.02 0.03 0.04 -0.05 0.00 0.03 0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.04 -0.02 -0.03 0.02 -0.04 0.02 -0.04 -0.09 0.10 -0.11 -0.02 -0.04 -0.05 0.18 0.14 -0.01 0.06 0.12 0.21 0.17 0.02 -0.26 0.28 0.01 0.02 -0.10 0.32 0.07 0.13 0.10 0.02 -0.04 -0.16 0.08 -0.03 -0.31 0.08 0.03 -0.16 0.11 0.11 -0.05 0.11 0.13 0.02 0.04 0.05 0.14 -0.02 0.08 0.13 -0.03 -0.07 -0.03 -0.02 0.01 0.06 -0.02 0.03 0.06 -0.04 -0.01 -0.01 0.07 -0.03 -0.02 0.06 0.02 -0.06 0.10 0.00 -0.07 0.10 -0.04 0.03 -0.04 0.01 0.03 0.02 -0.00 -0.00 0.05 -0.00 0.01 0.01 -0.02 -0.02 0.02 0.01 0.00 -0.00 -0.07 -0.02 0.01 0.02 -0.01 -0.11 0.07 0.01 -0.06 0.02 0.01 0.03 -0.05 0.06 0.01 -0.00 -0.07 0.02 0.01 0.15 -0.07 -0.02 0.01 0.01 -0.01 -0.05 0.01 -0.01 -0.05 0.00 0.01 -0.02 0.00 0.02 0.15 -0.06 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.08 0.10 -0.00 -0.03 0.01 -0.01 -0.03 0.01 -0.00 0.04 -0.05 0.00 0.04 -0.05 0.00 -0.04 0.08 0.09 -0.07 -0.10 0.21 -0.04 -0.04 0.08 0.04 0.10 0.06 0.03 0.11 0.09 0.00 -0.11 0.04 0.03 -0.00 -0.07 0.12 -0.01 -0.05 0.08 0.00 0.00 -0.09 0.02 0.02 -0.15 0.01 0.07 -0.01 0.01 0.02 -0.04 0.04 -0.04 0.02 0.01 -0.02 -0.37 0.11 -0.04 -0.38 0.12 0.03 -0.03 -0.01 -0.03 -0.26 0.08 -0.03 -0.26 0.08 -0.03 0.04 -0.13 0.01 0.03 -0.14 -0.02 0.15 -0.22 0.01 0.14 -0.22 0.00 -0.05 0.09 0.01 -0.01 0.02 0.13 0.14 0.08 0.03 0.01 -0.01 -0.11 -0.03 -0.03 0.04 -0.03 0.02 -0.11 -0.02 -0.03 0.04 -0.04 -0.09 0.17 0.08 0.04 0.01 0.00 -0.02 -0.09 0.09 0.02 0.00 -0.08 0.03 0.06 -0.12 -0.02 -0.09 -0.04 -0.01 -0.07 -0.04 -0.11 -0.01 -0.02 -0.02 0.04 -0.03 0.01 -0.10 -0.07 0.08 -0.05 0.03 -0.02 -0.02 0.05 0.07 -0.08 0.04 -0.02 -0.01 -0.03 -0.04 0.01 0.06 0.02 0.00 -0.06 -0.01 0.03 0.02 0.04 0.09 0.00 -0.04 0.04 -0.09 -0.09 0.30 0.08 0.06 0.08 0.02 0.11 0.10 0.01 0.08 0.10 0.02 -0.21 -0.01 0.08 0.02 -0.13 0.17 0.02 -0.07 0.10 0.02 0.04 -0.05 0.03 0.03 -0.24 0.06 0.12 0.02 0.04 0.04 -0.05 0.00 -0.24 -0.08 -0.04 -0.05 0.14 -0.17 -0.13 0.19 -0.16 0.10 -0.01 0.04 0.07 0.23 -0.05 -0.00 0.26 -0.01 0.07 -0.04 0.04 0.06 -0.01 0.06 -0.04 -0.07 0.09 -0.04 -0.04 0.10 0.09 -0.00 -0.03 0.01 0.02 -0.02 0.16 -0.13 -0.13 -0.03 -0.01 -0.02 0.06 0.02 -0.01 -0.02 0.01 -0.00 -0.04 -0.03 -0.05 -0.09 0.06 0.14 -0.07 -0.02 0.08 0.01 -0.01 -0.10 0.01 0.02 0.02 -0.01 -0.04 0.02 0.17 0.05 0.00 0.05 -0.00 -0.01 0.01 0.00 -0.02 0.01 0.09 0.17 -0.02 0.02 -0.01 -0.17 0.08 -0.04 -0.05 -0.07 -0.11 -0.03 0.00 0.09 -0.16 0.01 0.03 -0.03 -0.10 -0.04 0.00 0.08 0.06 0.00 -0.08 -0.06 0.03 0.09 0.04 0.16 -0.03 0.00 -0.22 0.17 0.12 -0.32 0.02 0.04 0.02 0.01 -0.12 -0.01 0.01 -0.08 0.02 -0.01 -0.12 0.06 0.02 0.05 -0.07 0.12 0.09 0.11 -0.01 0.03 0.03 0.03 0.02 -0.01 -0.12 0.07 0.02 -0.04 0.07 0.01 0.03 -0.03 0.13 0.00 0.00 -0.19 -0.02 0.14 -0.09 -0.06 0.19 -0.06 0.03 -0.01 0.00 -0.21 -0.03 0.11 -0.22 0.04 0.09 -0.04 -0.07 0.11 0.03 -0.03 -0.11 0.04 -0.06 -0.10 0.08 -0.03 0.16 -0.03 -0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.01 0.01 0.00 0.00 -0.08 0.01 -0.04 0.07 -0.01 -0.06 -0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.08 0.01 0.06 0.09 -0.01 0.04 -0.03 -0.12 -0.06 0.19 -0.20 -0.12 -0.26 -0.13 -0.07 0.29 0.16 0.09 -0.20 0.23 0.15 0.03 0.12 0.07 0.01 0.00 -0.00 -0.03 -0.02 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 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 0.04 0.01 0.01 -0.06 0.06 -0.08 0.06 0.05 -0.09 -0.01 -0.00 -0.00 -0.06 0.04 0.05 0.08 0.02 0.03 0.05 -0.24 -0.15 -0.14 -0.21 -0.13 0.17 0.25 0.14 -0.06 0.28 0.17 -0.05 -0.23 -0.13 -0.00 0.00 -0.00 0.01 -0.03 -0.07 -0.09 -0.01 -0.01 0.06 0.01 0.02 -0.05 0.00 -0.02 0.01 0.00 0.01 -0.01 0.01 -0.00 -0.05 -0.04 -0.05 0.01 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.02 -0.09 0.08 0.01 0.02 -0.28 -0.02 -0.12 0.24 -0.08 -0.16 -0.01 0.01 -0.00 -0.00 0.03 0.08 -0.24 0.11 0.19 0.30 0.04 0.14 -0.01 0.03 0.04 -0.05 0.04 0.07 0.07 0.05 0.08 -0.08 -0.04 -0.05 0.06 -0.03 -0.06 0.02 -0.06 0.02 0.01 0.00 0.00 -0.11 -0.07 -0.06 0.00 0.00 -0.01 -0.02 0.00 -0.00 0.00 -0.02 0.02 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.02 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.25 0.04 0.05 -0.21 -0.07 -0.16 0.16 -0.13 -0.18 0.01 -0.00 -0.01 -0.15 0.10 0.23 0.24 0.03 0.19 0.03 0.09 0.04 0.03 0.10 0.04 -0.06 -0.00 -0.16 -0.02 0.00 -0.16 0.03 0.05 0.05 -0.00 0.03 -0.00 -0.01 -0.07 -0.04 0.20 0.01 0.04 -0.00 0.01 0.00 0.24 0.03 0.04 0.00 -0.00 -0.00 -0.02 0.02 0.03 -0.03 -0.03 -0.01 0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.20 -0.00 -0.04 -0.03 0.02 -0.00 0.03 0.00 -0.01 -0.14 0.00 -0.03 0.01 0.01 0.00 -0.04 0.01 0.03 0.04 -0.00 0.02 0.01 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.03 0.05 0.03 -0.10 -0.04 -0.02 0.00 0.00 -0.03 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.02 -0.01 0.00 0.00 0.01 0.01 0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.02 0.01 0.01 -0.02 -0.02 -0.00 0.01 0.02 -0.01 -0.71 -0.03 -0.14 -0.04 -0.01 0.01 0.03 -0.02 0.00 -0.50 -0.04 -0.10 -0.04 -0.03 0.04 0.03 -0.04 0.03 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.03 0.01 0.01 -0.03 -0.01 0.01 0.00 0.01 -0.06 0.01 -0.00 0.09 0.06 -0.31 -0.01 -0.06 0.32 0.01 0.06 0.17 -0.01 0.04 0.00 0.00 0.00 0.03 -0.03 -0.05 0.02 0.08 -0.01 -0.00 0.00 0.03 -0.01 0.01 0.00 0.01 0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.01 0.01 0.03 -0.03 -0.00 -0.01 -0.02 0.01 -0.25 -0.05 -0.04 -0.01 -0.03 0.01 0.04 0.00 -0.03 -0.02 0.01 -0.01 -0.02 -0.00 0.01 -0.01 -0.01 -0.02 -0.01 0.02 0.00 -0.01 -0.02 -0.00 -0.00 0.02 0.02 0.03 0.00 -0.01 0.05 -0.10 -0.04 0.13 0.08 0.01 0.00 -0.00 0.05 0.01 -0.01 0.03 0.01 0.00 0.01 -0.03 0.01 -0.01 0.01 -0.02 -0.02 -0.04 0.01 -0.00 0.01 0.01 -0.01 0.02 -0.00 -0.02 0.03 0.02 0.00 -0.01 -0.05 0.02 0.11 -0.03 0.03 0.05 -0.02 -0.02 -0.01 0.00 -0.01 -0.74 -0.08 -0.12 0.06 0.06 -0.04 -0.01 0.07 -0.03 0.01 -0.02 -0.00 0.01 -0.00 0.01 -0.03 -0.02 0.04 -0.03 -0.01 0.05 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 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.05 -0.09 0.00 -0.04 0.06 -0.00 -0.04 0.06 -0.00 0.07 -0.12 -0.00 0.07 -0.12 0.00 -0.03 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.01 0.01 0.00 0.02 -0.26 0.43 0.01 -0.25 0.43 -0.00 -0.08 0.16 0.02 -0.09 0.16 0.02 -0.31 0.52 0.01 0.02 0.00 -0.16 0.04 0.07 0.08 0.01 0.02 -0.04 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.01 0.01 -0.08 -0.01 -0.11 -0.10 -0.03 -0.06 -0.01 0.01 0.13 0.08 -0.07 -0.02 0.02 0.07 -0.03 -0.05 0.05 -0.01 -0.01 0.00 0.00 0.12 -0.03 0.03 0.09 -0.06 -0.06 0.02 0.00 0.00 0.01 -0.05 0.02 0.13 0.01 -0.02 0.10 0.01 -0.04 -0.16 0.02 0.03 -0.09 -0.13 -0.09 -0.04 0.16 0.08 -0.09 -0.15 -0.08 -0.04 0.17 0.10 0.19 -0.02 -0.04 -0.07 -0.04 -0.11 0.03 -0.03 -0.04 -0.01 0.01 0.11 -0.02 0.02 0.14 -0.01 0.00 0.13 0.07 -0.07 -0.03 0.10 -0.09 -0.04 0.06 -0.06 -0.03 -0.01 0.04 -0.03 0.01 0.14 -0.06 -0.02 0.05 -0.06 0.02 -0.14 0.10 -0.08 0.01 -0.01 0.21 -0.11 -0.02 0.20 -0.09 -0.00 0.07 -0.00 0.01 0.17 0.09 -0.03 0.12 0.04 -0.07 0.06 -0.09 -0.05 0.09 0.05 0.08 -0.29 -0.04 0.06 -0.28 0.05 0.13 0.19 -0.06 0.02 0.00 -0.01 0.00 -0.02 0.05 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.00 0.03 0.00 -0.00 0.00 0.03 0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.03 -0.22 0.08 -0.00 -0.00 0.00 0.04 0.12 -0.05 0.00 0.10 -0.06 -0.01 -0.01 0.00 0.03 0.23 -0.08 0.02 -0.12 0.07 -0.01 -0.13 0.05 -0.02 0.04 -0.06 -0.02 -0.06 0.03 0.00 -0.03 0.05 -0.03 -0.02 -0.03 0.01 0.02 -0.01 0.02 -0.04 0.06 -0.00 -0.03 -0.03 0.05 0.03 0.01 0.00 0.00 0.04 0.00 0.00 0.04 0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.02 -0.01 0.00 0.01 -0.01 0.01 -0.03 0.01 0.01 -0.01 0.00 0.10 0.30 -0.15 0.02 0.41 -0.18 -0.01 -0.01 0.00 0.01 -0.29 0.13 -0.04 -0.24 0.11 -0.02 0.01 -0.10 0.03 0.03 -0.09 -0.08 0.16 -0.27 -0.02 0.17 -0.27 0.02 0.14 -0.18 0.01 0.01 0.00 0.03 0.01 0.02 0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.06 -0.02 -0.04 -0.16 -0.01 -0.15 -0.05 0.03 0.00 -0.04 0.00 0.23 0.12 -0.12 -0.04 0.03 0.13 -0.06 0.09 -0.02 -0.01 0.00 -0.00 0.01 -0.04 -0.03 -0.10 -0.00 0.05 0.10 0.00 -0.01 0.00 -0.07 0.02 0.00 -0.03 -0.04 -0.10 0.01 0.04 0.10 0.03 -0.01 0.02 0.04 0.05 0.02 0.02 -0.05 -0.04 0.05 0.05 0.03 0.02 -0.07 -0.04 -0.06 0.01 -0.00 -0.30 -0.04 -0.17 0.01 0.04 0.01 0.02 0.04 0.29 0.01 0.04 0.35 0.04 0.01 0.08 0.18 -0.12 -0.03 0.08 -0.04 -0.01 0.20 -0.14 -0.03 0.07 0.16 -0.06 0.03 0.09 -0.03 0.06 0.16 -0.07 0.05 -0.28 0.14 -0.02 -0.02 0.00 -0.14 -0.00 -0.03 -0.12 0.02 0.06 0.00 -0.01 0.01 0.05 -0.06 -0.06 0.08 -0.01 0.06 0.00 0.04 0.03 -0.01 -0.04 -0.02 0.13 -0.02 0.04 0.12 -0.07 0.02 -0.06 -0.02 0.05 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 0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.09 0.04 -0.00 -0.00 0.00 -0.01 0.05 -0.02 0.02 0.03 -0.04 0.00 -0.00 0.00 0.01 0.09 -0.03 -0.02 -0.01 0.01 0.01 -0.02 -0.01 0.00 -0.10 0.18 -0.01 0.05 -0.07 0.00 0.05 -0.07 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.06 -0.11 0.02 -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 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.02 -0.03 0.01 0.04 -0.01 -0.01 0.00 -0.00 0.00 -0.05 -0.25 0.09 -0.01 -0.24 0.07 -0.01 -0.01 0.02 0.01 -0.01 0.02 0.00 -0.26 0.43 0.00 -0.26 0.44 0.02 -0.25 0.43 0.04 -0.12 -0.01 -0.02 -0.10 0.00 0.06 0.17 -0.06 -0.02 -0.12 0.04 -0.01 -0.07 0.04 0.01 0.00 0.02 -0.05 0.03 0.09 -0.05 0.39 -0.26 0.02 -0.00 -0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.02 0.05 0.14 -0.00 0.03 -0.01 0.01 0.00 0.02 0.02 -0.17 0.04 -0.00 -0.02 0.00 -0.00 0.02 -0.01 0.02 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 0.11 -0.09 0.11 -0.16 0.58 -0.28 -0.02 -0.02 -0.10 -0.03 -0.00 -0.10 -0.02 -0.01 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.03 -0.07 -0.04 -0.06 -0.09 0.12 -0.04 -0.17 0.08 0.02 0.02 0.02 0.04 -0.18 0.04 -0.02 -0.11 0.03 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.02 -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 -0.01 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 -0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.01 0.00 -0.00 -0.00 0.01 0.06 -0.02 -0.00 -0.08 0.03 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.06 -0.02 -0.01 -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 -0.01 0.01 0.00 0.01 -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 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.04 -0.50 0.18 0.05 0.52 -0.19 0.00 0.01 -0.00 -0.05 -0.40 0.14 0.04 0.42 -0.15 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.18 -0.06 -0.09 -0.02 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.11 -0.04 -0.07 -0.03 0.01 0.02 0.10 0.06 0.07 -0.05 -0.01 0.10 0.05 -0.08 -0.04 0.00 0.09 -0.06 -0.02 -0.02 0.01 -0.00 -0.00 0.00 0.00 0.08 0.16 -0.04 -0.02 -0.13 -0.00 -0.01 0.00 0.07 -0.05 0.00 -0.06 0.10 0.18 -0.10 -0.04 -0.18 0.01 0.01 -0.02 -0.02 -0.01 -0.02 -0.01 0.02 0.03 -0.03 -0.02 -0.03 -0.02 0.03 0.03 0.03 -0.01 0.00 -0.16 0.03 0.00 0.02 0.07 0.06 0.04 0.04 0.21 0.03 0.03 0.27 0.06 0.01 -0.12 0.17 -0.08 0.01 -0.06 0.10 0.06 0.21 -0.11 -0.02 0.13 0.20 -0.05 0.00 -0.12 0.07 0.12 0.18 -0.02 0.03 -0.01 -0.02 0.02 -0.02 0.00 0.05 -0.10 0.19 0.04 -0.22 -0.03 -0.01 -0.00 0.01 -0.25 -0.02 0.17 -0.24 -0.11 -0.05 -0.02 -0.08 0.08 -0.01 0.07 -0.04 -0.06 -0.03 0.05 -0.08 0.08 -0.07 0.03 0.01 -0.04 0.00 -0.00 -0.00 0.02 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.02 -0.00 -0.01 -0.01 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.01 0.11 -0.05 0.00 0.00 0.00 -0.01 -0.08 0.05 -0.01 -0.08 0.02 0.00 -0.01 0.00 0.02 0.10 -0.04 -0.01 -0.06 0.05 -0.02 -0.07 0.01 0.00 -0.02 0.04 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.02 0.01 -0.01 0.00 0.00 0.02 -0.02 -0.00 0.01 0.01 -0.03 0.03 -0.01 0.00 0.00 0.01 0.00 0.00 0.02 0.01 0.00 -0.01 0.03 -0.01 0.00 -0.01 0.02 0.01 0.03 -0.01 -0.00 0.02 0.02 -0.01 -0.00 -0.02 0.01 0.02 0.03 -0.00 0.00 -0.00 -0.00 -0.04 -0.00 -0.00 0.04 0.52 -0.16 0.05 0.45 -0.17 -0.01 -0.01 0.00 0.01 0.40 -0.12 0.01 0.35 -0.13 0.00 -0.00 -0.02 -0.01 0.08 -0.15 -0.02 -0.07 0.13 0.02 -0.01 0.01 0.01 -0.06 0.16 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.04 -0.06 0.00 -0.04 0.06 -0.00 0.04 -0.06 -0.00 -0.04 0.06 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.02 0.01 0.00 -0.01 -0.02 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 -0.05 0.01 -0.00 -0.04 0.02 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 -0.03 0.02 0.02 -0.25 0.45 -0.00 0.24 -0.43 0.02 -0.24 0.40 -0.02 0.25 -0.42 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.00 0.01 0.01 0.00 -0.00 0.05 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.18 -0.01 -0.03 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 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 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 0.95 0.08 0.18 -0.00 0.02 -0.00 0.00 0.01 -0.00 0.16 0.01 0.03 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 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.03 0.00 0.01 0.03 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.18 -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 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.17 -0.02 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.95 0.08 0.18 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.01 0.08 -0.02 -0.02 0.01 0.01 0.00 0.01 -0.01 -0.02 0.00 -0.00 0.01 0.15 0.03 -0.01 -0.13 0.00 -0.15 -0.03 0.03 0.05 0.05 0.02 0.04 -0.04 0.10 0.03 0.04 -0.09 0.04 0.03 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.04 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.02 0.02 0.05 -0.04 -0.02 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.34 -0.01 -0.18 -0.02 0.02 0.05 -0.07 -0.04 -0.09 -0.05 -0.02 -0.14 -0.09 0.01 0.32 -0.25 0.14 0.02 0.09 -0.13 -0.05 -0.19 0.06 0.02 -0.16 -0.08 0.03 -0.00 0.29 -0.09 -0.23 -0.34 0.09 0.03 -0.30 0.13 0.00 -0.02 -0.00 -0.01 0.03 0.05 -0.01 -0.01 -0.02 0.03 0.01 0.02 -0.07 0.02 0.04 -0.06 0.02 -0.04 -0.01 0.01 -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 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.04 0.07 -0.00 0.05 -0.09 -0.00 0.05 -0.09 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 0.08 -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 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.15 -0.04 0.04 0.13 -0.05 0.00 -0.01 0.00 -0.00 -0.07 0.02 -0.02 -0.07 0.02 0.02 -0.27 0.47 0.01 -0.26 0.48 -0.01 0.02 -0.02 0.01 0.01 -0.01 -0.01 0.29 -0.47 -0.01 -0.02 0.00 0.02 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 -0.03 -0.01 -0.05 0.14 0.03 -0.03 0.01 -0.02 -0.01 -0.00 -0.00 -0.02 0.08 -0.04 0.14 -0.04 -0.01 -0.08 -0.07 0.07 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.00 -0.02 0.03 -0.01 0.00 -0.03 -0.08 0.38 0.11 -0.12 -0.39 0.06 -0.16 -0.09 -0.17 0.00 -0.05 0.31 -0.37 -0.10 -0.06 -0.11 -0.03 0.02 -0.29 0.07 -0.01 -0.32 0.04 0.15 0.19 -0.09 -0.00 -0.05 0.01 -0.00 0.02 0.02 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.03 -0.00 -0.01 0.01 -0.01 -0.06 0.01 -0.07 -0.01 -0.02 0.14 0.06 0.02 0.04 -0.11 0.05 -0.02 0.03 0.01 -0.01 0.01 0.02 0.05 0.11 -0.00 0.03 -0.06 -0.04 -0.09 -0.04 -0.01 0.00 0.00 0.01 0.04 -0.08 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.07 0.10 -0.00 -0.00 0.00 0.01 -0.00 -0.02 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.03 0.03 -0.02 0.03 0.00 -0.11 -0.09 0.16 -0.04 -0.06 -0.19 -0.08 -0.06 0.36 -0.20 0.16 0.15 -0.08 0.00 0.13 0.24 -0.25 -0.00 0.16 0.30 -0.03 -0.10 -0.33 0.25 0.03 -0.13 0.22 -0.01 0.11 -0.05 0.03 -0.12 -0.10 0.00 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.15 0.05 0.01 -0.03 -0.00 0.02 -0.01 0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 0.00 0.02 0.00 -0.00 0.01 -0.02 -0.09 0.02 -0.11 -0.03 -0.04 0.22 0.10 -0.02 -0.01 0.10 -0.03 -0.01 -0.05 -0.01 -0.02 0.02 -0.03 -0.03 -0.10 0.03 -0.03 0.06 0.02 0.07 0.05 0.01 -0.00 -0.00 0.02 0.05 -0.13 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.11 0.15 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.01 -0.04 0.00 0.02 0.03 0.10 0.06 -0.04 0.07 0.02 0.10 0.10 0.01 -0.36 0.12 -0.14 -0.15 0.15 -0.10 -0.15 -0.25 0.21 -0.00 -0.12 -0.32 0.04 0.09 0.21 -0.20 0.02 0.16 -0.21 0.01 -0.09 0.05 0.06 -0.20 -0.16 -0.00 0.02 0.01 -0.01 0.00 -0.01 -0.02 -0.22 0.08 -0.02 -0.05 0.03 -0.01 -0.01 -0.00 -0.00 0.01 -0.02 0.00 0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.00 0.07 -0.03 0.01 0.07 -0.02 -0.00 -0.00 0.00 0.00 0.04 -0.02 -0.01 -0.08 0.03 -0.01 -0.09 0.03 0.00 -0.01 0.03 0.00 0.00 -0.02 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.02 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.04 -0.41 0.14 -0.01 -0.38 0.15 -0.00 -0.00 0.00 0.06 0.50 -0.17 0.05 0.51 -0.18 0.03 -0.05 0.08 -0.02 -0.04 0.08 -0.02 -0.00 0.02 0.02 -0.01 0.02 0.00 0.07 -0.07 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.01 0.07 -0.01 -0.01 -0.05 0.07 0.03 -0.02 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.00 0.00 -0.04 -0.09 0.34 0.09 -0.11 -0.32 0.05 -0.16 -0.02 0.33 -0.23 -0.20 0.01 0.12 -0.15 -0.23 0.34 -0.00 0.03 0.37 -0.06 -0.07 0.09 0.12 -0.12 -0.25 0.21 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 -0.01 0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 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 -0.01 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 -0.07 0.02 0.01 0.07 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.09 -0.03 -0.01 -0.09 0.04 0.01 -0.00 -0.00 0.01 -0.02 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.02 0.00 0.00 0.01 -0.00 0.00 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -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 0.02 0.41 -0.14 -0.04 -0.41 0.15 0.00 0.00 -0.00 -0.06 -0.51 0.17 0.04 0.52 -0.17 0.02 0.00 -0.03 0.02 -0.00 0.02 -0.01 -0.02 0.02 -0.00 0.02 -0.02 -0.02 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.03 -0.08 0.02 -0.03 0.08 0.00 -0.05 0.08 -0.00 0.05 -0.08 -0.02 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.02 0.01 -0.01 0.02 -0.00 0.03 -0.24 0.40 0.01 0.24 -0.42 -0.01 0.24 -0.43 0.02 -0.25 0.45 -0.02 0.01 -0.01 0.00 0.02 -0.02 0.16 0.10 0.14 0.02 -0.04 -0.07 -0.05 0.03 0.31 0.01 0.03 -0.07 -0.02 0.01 0.04 -0.08 0.01 0.05 -0.13 -0.11 -0.22 0.07 0.02 -0.02 -0.01 -0.04 -0.02 -0.00 0.01 -0.00 0.05 -0.02 0.01 0.03 -0.09 -0.14 0.03 0.02 0.02 0.01 -0.01 -0.06 -0.01 0.07 0.00 -0.05 0.01 0.01 -0.01 0.02 0.05 -0.08 -0.01 -0.05 -0.05 0.01 0.00 -0.02 0.03 0.03 -0.03 -0.03 -0.03 0.03 0.04 0.01 0.02 -0.05 -0.01 0.05 -0.00 -0.01 0.15 0.01 0.07 -0.05 0.06 -0.19 -0.10 -0.07 -0.20 -0.10 -0.01 -0.23 -0.10 -0.00 0.32 0.17 -0.06 0.02 -0.13 0.16 0.06 0.14 -0.01 -0.00 0.02 0.01 0.00 -0.01 -0.01 0.02 0.02 0.04 -0.00 -0.00 -0.09 0.07 0.07 -0.21 -0.16 0.03 -0.06 0.05 0.00 -0.05 -0.06 0.04 -0.23 -0.23 0.03 0.05 0.06 -0.11 -0.00 -0.04 -0.02 0.07 -0.03 -0.03 -0.07 0.02 0.04 0.02 0.04 0.03 0.00 -0.10 0.05 -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 -0.01 -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 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.03 -0.02 0.00 -0.04 0.00 -0.04 0.08 0.01 -0.04 0.07 0.02 0.05 -0.08 -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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.01 -0.01 0.02 0.00 0.02 -0.12 0.26 -0.02 -0.13 0.21 -0.02 0.28 -0.45 -0.00 0.24 -0.42 0.04 -0.28 0.48 -0.00 -0.01 0.00 -0.03 -0.01 -0.02 -0.00 0.01 0.01 0.01 -0.01 -0.07 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.02 0.01 -0.01 0.01 0.01 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.02 0.03 0.07 0.01 0.09 0.04 -0.03 -0.10 0.00 -0.02 0.00 -0.09 0.01 0.01 0.01 0.00 -0.04 0.02 -0.01 0.04 -0.09 0.01 0.01 -0.11 0.28 0.16 -0.21 -0.24 -0.11 0.03 0.03 0.01 0.02 -0.01 -0.05 0.32 -0.06 -0.02 -0.01 0.00 -0.01 0.02 -0.03 0.03 0.01 0.01 0.03 0.01 0.00 0.03 0.02 -0.00 -0.05 -0.02 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.02 -0.02 -0.02 0.06 0.04 0.04 0.12 0.09 -0.00 -0.11 -0.09 -0.01 0.05 0.05 -0.05 -0.13 -0.01 0.00 0.13 0.01 -0.06 0.29 0.21 -0.17 -0.20 -0.31 0.06 0.00 0.06 0.04 -0.15 0.16 0.33 0.02 -0.16 0.01 0.07 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.04 0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.01 -0.10 0.02 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.02 0.03 -0.02 0.02 -0.02 0.02 -0.00 -0.00 0.00 -0.01 -0.01 -0.12 -0.07 -0.21 -0.05 0.09 0.24 -0.00 0.01 -0.00 0.16 -0.02 -0.02 -0.01 0.05 0.12 -0.04 -0.04 -0.11 0.16 -0.02 -0.02 -0.03 0.11 0.06 -0.07 -0.10 -0.05 -0.11 -0.13 -0.07 -0.05 0.15 0.09 0.10 -0.01 -0.01 -0.01 -0.07 0.01 -0.06 0.05 -0.01 -0.01 -0.00 -0.08 -0.03 0.01 0.02 -0.02 0.02 0.05 -0.08 0.01 -0.04 0.10 -0.12 -0.06 -0.14 0.05 0.01 0.08 0.08 -0.01 -0.01 -0.12 0.06 0.07 0.08 0.01 0.02 -0.02 0.03 0.01 -0.03 -0.01 0.06 -0.13 -0.35 0.15 0.12 0.32 0.01 -0.03 -0.03 0.12 0.03 0.17 0.08 -0.09 -0.19 0.03 0.11 0.11 -0.02 -0.12 -0.10 -0.08 -0.14 -0.11 -0.02 0.16 0.11 0.10 -0.02 -0.01 -0.02 -0.15 0.05 0.00 0.01 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.04 -0.00 0.02 0.01 -0.02 0.06 -0.00 0.01 0.22 -0.03 0.01 -0.04 -0.02 -0.01 0.03 0.00 -0.03 -0.07 -0.07 0.04 -0.03 0.06 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.02 -0.02 -0.05 -0.01 0.02 0.05 -0.00 -0.01 0.01 0.03 -0.00 -0.00 -0.00 0.01 0.02 -0.01 -0.01 -0.03 0.03 -0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.02 -0.01 -0.02 -0.02 -0.01 -0.01 0.03 0.02 0.01 -0.00 -0.00 0.07 0.16 -0.02 0.13 -0.14 -0.01 -0.01 -0.02 0.15 0.04 -0.04 -0.12 0.02 -0.04 -0.03 0.26 -0.05 0.10 -0.29 0.35 0.16 0.39 -0.12 -0.02 -0.20 -0.22 0.04 0.04 0.29 -0.15 -0.16 -0.17 -0.05 -0.04 0.03 -0.05 -0.00 0.01 0.00 0.04 -0.02 -0.11 0.04 0.02 0.07 -0.01 0.02 0.03 0.04 -0.01 0.05 0.02 -0.02 -0.05 0.01 0.02 0.01 0.00 -0.02 -0.02 -0.01 -0.03 -0.02 0.00 0.03 0.02 0.01 -0.00 -0.00 -0.00 -0.05 0.02 -0.04 -0.04 -0.06 0.01 -0.03 -0.04 -0.04 0.04 0.22 0.01 -0.01 -0.05 0.02 0.01 -0.04 0.04 0.06 -0.02 0.05 0.08 0.07 -0.08 -0.01 0.02 0.01 0.03 0.00 0.03 -0.03 0.01 -0.04 0.01 -0.00 0.03 -0.08 -0.12 -0.02 0.02 0.05 -0.03 -0.01 -0.03 -0.01 0.06 -0.00 0.06 -0.01 -0.01 0.00 -0.04 -0.10 0.05 0.04 0.10 0.07 -0.01 -0.01 0.01 0.03 0.01 -0.00 -0.02 -0.01 -0.05 -0.07 -0.04 -0.02 0.08 0.05 -0.00 0.00 0.00 -0.16 0.03 -0.04 -0.04 0.21 0.05 0.10 0.07 0.23 0.11 0.00 0.22 0.11 -0.01 -0.34 -0.15 0.07 0.01 0.08 -0.11 -0.02 -0.05 -0.04 0.00 -0.08 0.00 -0.00 -0.00 0.15 -0.04 -0.11 -0.16 0.05 -0.01 0.07 -0.05 0.04 -0.22 -0.14 -0.17 0.06 0.17 -0.19 -0.01 -0.10 0.06 -0.16 -0.17 -0.13 -0.02 -0.17 -0.05 0.06 0.18 0.05 0.03 0.02 0.02 -0.04 -0.02 -0.01 -0.10 -0.06 0.03 0.10 0.06 -0.01 0.00 0.00 -0.00 0.03 -0.01 0.04 0.02 0.02 -0.01 0.00 0.01 0.01 -0.01 -0.07 -0.00 0.01 0.02 -0.02 -0.00 0.04 -0.06 -0.03 0.01 0.02 -0.04 -0.04 0.07 0.02 -0.02 -0.02 -0.04 -0.01 -0.02 0.03 0.01 0.01 -0.00 0.00 -0.01 0.03 0.04 -0.02 0.03 0.07 -0.03 -0.02 -0.07 0.00 -0.02 0.00 0.06 -0.01 -0.01 -0.01 -0.04 -0.09 0.01 0.04 0.09 0.09 -0.01 -0.01 0.02 0.02 0.02 0.01 -0.03 -0.02 -0.06 -0.10 -0.06 -0.02 0.11 0.07 -0.04 0.01 0.00 0.06 0.00 0.02 0.06 -0.09 -0.03 -0.10 -0.07 -0.19 -0.09 -0.01 -0.23 -0.11 0.01 0.33 0.17 -0.07 -0.00 -0.10 0.14 0.03 0.08 0.03 -0.00 0.03 -0.08 0.02 0.01 -0.08 -0.00 0.08 0.15 -0.07 0.02 -0.12 0.06 -0.02 0.08 0.05 -0.21 0.07 0.22 -0.30 -0.04 -0.18 -0.02 0.05 0.05 -0.19 -0.01 -0.18 -0.15 0.07 0.23 0.11 0.06 0.01 0.07 -0.08 -0.02 0.03 -0.18 -0.10 0.11 0.16 0.08 -0.05 0.01 0.01 0.00 0.03 -0.02 -0.11 -0.05 -0.08 -0.02 -0.04 -0.02 -0.02 0.02 0.07 0.00 0.01 -0.01 -0.00 0.00 0.04 -0.11 -0.05 0.02 0.23 0.08 0.07 0.07 0.04 -0.03 -0.03 -0.05 -0.02 -0.02 0.03 0.05 -0.03 0.00 -0.00 0.01 -0.02 -0.05 -0.00 -0.01 -0.02 -0.00 0.01 0.03 -0.00 0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.02 0.01 0.02 0.05 0.03 -0.00 -0.05 -0.03 0.04 -0.01 -0.01 -0.16 0.04 0.02 0.25 0.07 0.07 -0.11 -0.09 -0.13 -0.08 -0.03 -0.31 -0.13 0.01 0.38 0.23 -0.09 0.02 -0.16 0.21 0.06 0.14 0.02 -0.00 -0.03 -0.22 0.04 0.04 -0.00 -0.08 0.08 0.18 -0.13 0.05 -0.22 0.09 -0.00 -0.05 -0.06 0.08 0.00 -0.09 0.05 0.01 0.06 0.03 -0.07 -0.08 0.01 -0.02 0.01 0.09 -0.00 -0.04 -0.11 -0.05 -0.00 -0.08 0.07 0.03 -0.08 0.12 0.07 -0.13 -0.10 -0.04 0.05 -0.01 -0.01 0.00 0.01 -0.01 -0.04 -0.01 -0.02 -0.00 -0.01 -0.00 -0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 0.01 0.05 0.02 0.02 -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 -0.01 0.05 -0.00 0.01 0.04 -0.01 -0.02 -0.00 0.00 -0.00 -0.12 0.02 0.02 0.00 0.02 0.04 -0.00 -0.02 -0.05 -0.11 0.02 0.01 0.05 0.04 0.02 0.02 -0.05 -0.04 0.02 -0.08 -0.05 0.05 0.06 0.04 -0.13 0.02 0.02 -0.05 -0.00 0.01 0.06 0.02 0.02 -0.00 -0.00 0.02 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.02 0.02 0.01 0.02 -0.01 -0.00 -0.02 -0.03 0.01 0.01 0.03 -0.02 -0.01 -0.00 -0.01 0.01 -0.02 0.01 -0.00 -0.01 -0.01 0.16 -0.03 -0.07 0.19 0.00 0.04 0.01 -0.02 -0.02 0.15 0.03 0.11 0.13 -0.08 -0.14 0.37 0.15 0.05 0.24 -0.23 -0.10 0.30 -0.29 -0.17 0.44 0.20 0.08 -0.13 0.04 0.03 -0.01 -0.10 0.04 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 0.01 -0.04 0.03 0.02 0.19 -0.08 0.00 0.01 0.03 0.06 -0.05 -0.01 0.01 0.00 0.07 -0.09 0.02 -0.07 -0.01 0.00 -0.00 0.01 -0.02 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 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 0.00 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 0.04 0.25 -0.07 0.06 -0.07 0.04 -0.02 0.01 -0.35 -0.12 0.05 0.06 -0.09 0.11 0.21 0.02 -0.08 -0.12 0.13 -0.08 -0.12 -0.25 0.18 0.02 0.24 0.21 -0.04 -0.08 -0.44 0.20 0.21 0.23 0.06 -0.00 -0.13 0.04 0.01 -0.07 -0.04 0.03 0.00 -0.02 0.03 0.00 0.01 0.00 -0.01 -0.01 0.02 -0.00 0.01 0.03 -0.01 -0.02 0.02 0.01 0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.03 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.02 0.01 -0.03 -0.03 0.02 0.05 0.01 -0.01 -0.00 0.02 0.00 -0.02 -0.02 0.00 -0.01 -0.01 0.19 -0.09 -0.16 -0.17 0.09 0.14 0.04 0.05 0.01 -0.07 -0.05 -0.01 -0.03 0.03 0.05 0.01 0.00 -0.02 0.01 -0.04 -0.03 0.00 0.01 0.01 0.01 0.00 0.01 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 0.02 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.14 -0.17 -0.17 -0.38 0.17 0.12 -0.08 -0.07 0.04 -0.02 -0.04 -0.24 -0.03 -0.06 0.21 0.26 -0.11 -0.01 -0.20 0.26 0.03 0.11 0.08 -0.01 -0.01 -0.25 0.05 0.05 -0.07 -0.09 0.09 0.21 -0.15 -0.03 0.21 -0.09 0.03 -0.17 -0.04 -0.07 0.01 0.07 0.04 0.01 0.02 -0.01 0.03 0.01 0.03 0.02 0.02 0.03 -0.01 -0.03 -0.00 0.00 0.00 0.03 -0.02 -0.01 0.03 -0.01 -0.01 0.01 0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.03 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.02 0.06 0.03 0.10 -0.06 -0.03 -0.12 -0.02 -0.01 -0.07 -0.04 -0.02 0.04 -0.07 -0.04 0.02 0.08 0.05 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -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 -0.02 0.01 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.06 -0.06 -0.01 0.03 -0.06 -0.02 0.43 0.06 -0.01 -0.39 0.18 0.07 -0.26 0.08 0.07 0.22 -0.02 -0.01 0.12 0.55 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.04 -0.01 -0.00 -0.00 0.02 0.03 -0.09 -0.12 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.04 -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 -0.00 0.22 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.08 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.04 0.68 -0.07 0.01 -0.02 -0.00 -0.03 -0.00 -0.01 -0.13 0.37 0.53 -0.02 0.01 -0.00 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.01 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.03 0.00 0.00 0.00 -0.07 -0.00 -0.03 0.06 -0.02 -0.03 -0.00 -0.00 0.01 0.01 0.02 0.06 0.06 -0.02 -0.04 -0.07 0.00 -0.01 0.00 0.02 -0.00 -0.00 -0.01 -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 -0.03 0.01 -0.00 -0.03 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.02 0.01 -0.01 0.03 0.00 -0.40 0.10 0.20 0.59 0.02 0.17 -0.00 0.01 0.01 0.37 -0.03 0.07 -0.41 0.10 0.22 -0.06 -0.01 -0.04 0.04 -0.02 -0.05 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.03 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.01 -0.01 -0.02 -0.00 -0.00 0.01 -0.01 -0.00 0.04 -0.02 -0.01 -0.04 -0.01 -0.00 0.01 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 0.01 -0.00 -0.00 -0.04 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.02 0.01 -0.02 -0.18 -0.06 -0.02 0.14 -0.10 -0.05 0.40 -0.28 -0.18 -0.48 -0.14 -0.07 0.11 0.53 0.32 0.02 -0.01 0.01 0.06 0.00 0.00 0.00 0.02 -0.03 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.02 0.05 -0.11 -0.02 0.01 0.02 0.01 -0.04 -0.03 0.02 -0.02 0.03 -0.01 -0.03 0.06 -0.02 -0.01 0.04 -0.11 0.01 0.01 -0.01 0.01 0.02 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.04 0.01 0.01 0.04 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.41 -0.22 -0.05 0.05 0.01 -0.02 -0.00 0.01 -0.07 -0.05 0.03 0.09 -0.03 0.06 0.10 0.12 -0.12 -0.11 0.04 0.05 -0.11 -0.13 0.18 0.01 -0.03 -0.16 0.04 0.03 -0.06 -0.05 0.01 0.06 -0.07 -0.04 0.43 -0.21 -0.00 0.01 0.03 0.31 -0.10 -0.23 0.26 0.02 0.12 -0.01 0.01 0.02 -0.19 -0.02 -0.11 -0.09 0.05 0.12 -0.03 -0.01 -0.00 -0.03 0.02 0.02 0.05 -0.03 -0.02 0.04 0.01 0.01 0.00 0.02 0.01 -0.02 0.01 -0.01 0.05 -0.01 -0.01 -0.00 0.05 0.00 0.00 -0.02 0.00 0.01 -0.00 -0.03 -0.02 -0.05 0.08 0.00 -0.01 -0.02 -0.02 -0.00 0.03 -0.01 0.02 -0.03 0.01 0.02 -0.04 0.02 0.01 -0.02 -0.09 0.01 -0.00 -0.00 -0.01 0.00 0.02 -0.01 -0.00 0.01 0.00 0.02 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.02 -0.01 -0.03 -0.00 0.02 0.05 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.26 0.16 0.03 0.06 -0.03 0.05 -0.01 -0.02 0.06 0.04 -0.03 -0.10 0.02 -0.05 -0.04 -0.10 0.09 0.08 -0.02 -0.05 0.08 0.09 -0.14 -0.01 0.01 0.11 -0.02 -0.01 0.06 0.02 -0.01 -0.03 0.03 0.03 -0.31 0.14 0.02 -0.22 -0.02 0.35 -0.11 -0.24 0.35 0.03 0.16 -0.03 0.10 0.09 -0.30 -0.02 -0.14 -0.17 0.08 0.17 -0.10 -0.03 -0.01 -0.10 0.07 0.05 0.10 -0.07 -0.05 0.11 0.03 0.02 0.00 0.01 0.01 -0.00 0.00 -0.00 0.04 -0.00 -0.01 -0.00 0.06 -0.02 0.00 -0.02 0.01 0.01 -0.01 -0.04 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.04 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.07 0.01 0.01 -0.01 0.00 0.02 -0.02 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.00 -0.01 0.02 -0.01 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.05 0.02 0.01 0.05 -0.03 -0.02 -0.03 0.02 0.01 -0.04 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.04 0.01 0.03 -0.03 0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.02 0.00 -0.01 0.00 -0.01 0.01 0.01 0.00 -0.01 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 0.01 -0.05 0.02 0.02 -0.22 0.01 0.01 -0.00 -0.02 0.01 0.00 0.01 -0.03 0.11 0.11 0.13 0.01 0.02 0.11 -0.04 -0.05 0.45 0.15 0.06 0.36 -0.26 -0.15 -0.33 0.23 0.15 -0.44 -0.13 -0.07 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.13 0.06 0.00 0.05 -0.03 -0.02 0.01 0.10 -0.01 -0.03 0.01 0.01 -0.00 -0.01 -0.04 0.09 -0.02 0.00 0.01 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.06 0.02 -0.00 0.00 0.02 -0.00 0.00 0.01 -0.00 -0.04 -0.00 -0.00 -0.01 -0.03 -0.00 -0.01 -0.02 0.01 0.02 -0.00 -0.01 -0.00 0.03 0.01 0.01 0.03 -0.02 -0.01 -0.02 0.01 0.01 -0.02 -0.00 0.00 -0.01 0.00 0.00 0.10 -0.03 -0.01 -0.02 0.09 -0.01 -0.02 -0.02 0.02 0.00 -0.01 -0.04 0.00 -0.02 0.01 -0.03 0.02 0.01 0.00 -0.02 0.01 0.00 -0.03 -0.00 -0.01 0.02 -0.00 0.00 0.03 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.04 0.54 -0.02 0.20 -0.06 -0.12 0.21 0.01 0.08 0.08 -0.29 -0.26 -0.24 0.01 -0.09 -0.17 0.05 0.13 0.24 0.08 0.03 0.18 -0.14 -0.06 -0.17 0.11 0.08 -0.24 -0.07 -0.04 -0.01 0.00 0.00 -0.02 0.01 -0.00 0.01 0.02 0.01 0.02 0.01 -0.12 -0.01 0.02 0.03 -0.00 -0.03 0.03 0.15 -0.12 -0.03 0.03 0.03 0.00 0.02 -0.10 -0.01 -0.06 0.06 0.01 -0.05 0.02 -0.01 -0.06 0.04 0.02 -0.03 0.00 0.01 -0.02 0.05 0.07 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -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 -0.00 0.00 -0.00 -0.00 -0.21 0.30 -0.02 -0.18 0.23 -0.02 -0.00 -0.01 0.29 0.16 -0.07 -0.09 0.09 -0.17 -0.15 -0.02 0.04 0.06 -0.12 0.12 0.05 0.00 0.05 0.00 0.13 -0.13 0.03 0.04 -0.19 -0.06 0.13 0.24 -0.09 0.03 -0.28 0.13 -0.05 0.36 0.10 0.02 -0.02 -0.02 -0.05 -0.00 -0.02 0.04 -0.20 -0.13 0.04 -0.00 0.01 0.06 -0.01 -0.03 -0.03 -0.01 -0.00 -0.02 0.01 0.01 0.02 -0.01 -0.01 0.03 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.07 0.00 0.02 -0.02 -0.01 0.12 0.01 -0.03 -0.03 0.00 0.05 -0.05 0.15 -0.08 -0.06 -0.02 0.02 0.06 -0.01 0.05 -0.07 -0.05 0.03 0.02 -0.04 0.01 0.01 -0.05 0.03 0.02 0.13 -0.01 0.00 0.01 -0.04 -0.04 0.04 -0.01 -0.01 0.03 -0.01 -0.01 -0.00 0.03 0.00 -0.00 0.00 0.01 -0.05 0.01 0.01 -0.04 -0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.14 -0.13 0.03 0.08 -0.29 -0.08 0.01 0.01 0.23 0.13 -0.04 -0.00 0.06 -0.12 -0.12 0.01 0.01 0.02 -0.08 0.11 0.01 -0.03 0.10 0.01 0.10 -0.14 0.03 0.03 -0.16 -0.05 0.10 0.19 -0.08 -0.00 -0.02 0.01 0.05 -0.43 -0.08 0.07 -0.01 -0.03 0.05 -0.01 -0.01 -0.06 0.29 0.20 -0.25 0.01 -0.06 -0.25 0.06 0.13 0.06 0.02 -0.00 0.06 -0.05 -0.01 -0.07 0.04 0.03 -0.09 -0.02 -0.01 -0.01 -0.00 -0.00 -0.02 0.01 -0.00 -0.11 0.01 -0.00 0.02 0.06 -0.13 -0.01 0.00 0.05 0.01 -0.04 -0.01 0.01 0.18 0.04 0.03 -0.03 -0.03 0.02 -0.08 0.06 -0.00 -0.07 -0.01 -0.01 -0.05 -0.00 -0.01 -0.05 -0.03 0.19 -0.02 -0.01 -0.02 0.05 0.07 0.07 -0.01 -0.02 0.04 -0.01 -0.01 -0.00 -0.02 0.01 -0.00 0.01 0.01 -0.09 0.02 0.02 -0.05 -0.00 -0.02 0.01 -0.00 -0.00 0.02 0.01 0.00 0.02 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 0.10 -0.02 -0.16 0.15 0.04 0.09 0.09 -0.17 -0.05 0.04 0.19 -0.01 0.15 -0.09 0.16 -0.08 0.00 -0.04 0.08 -0.03 0.10 0.06 -0.01 0.02 0.06 -0.02 -0.06 -0.07 0.11 -0.02 -0.11 0.13 -0.00 -0.12 0.06 -0.02 0.03 0.07 0.15 -0.05 -0.06 0.13 0.00 0.02 0.01 -0.06 -0.01 -0.46 0.02 -0.12 -0.38 0.10 0.21 0.10 0.04 0.00 0.09 -0.07 -0.02 -0.09 0.06 0.04 -0.14 -0.03 -0.02 -0.01 -0.00 -0.00 -0.03 0.02 -0.04 0.07 -0.01 -0.00 -0.01 -0.04 0.07 0.00 -0.00 -0.03 -0.01 0.02 0.02 0.16 0.21 0.05 -0.02 -0.05 0.01 -0.03 0.05 -0.02 -0.06 -0.07 -0.01 -0.06 -0.07 -0.02 -0.06 -0.05 -0.03 -0.11 0.01 -0.01 0.01 -0.03 -0.04 -0.04 0.01 0.02 -0.01 0.01 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.02 0.04 -0.01 -0.01 0.02 0.01 0.02 -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 0.04 -0.13 0.01 0.04 0.03 -0.00 0.18 0.16 -0.05 0.07 0.01 0.27 0.04 0.12 -0.29 0.26 -0.08 0.07 -0.16 0.22 -0.01 0.20 0.14 -0.01 0.14 0.02 -0.01 -0.08 -0.24 0.15 0.07 -0.01 0.17 0.04 -0.40 0.17 0.01 0.04 -0.03 -0.02 0.01 0.00 0.01 0.01 0.03 -0.00 0.02 -0.01 0.17 -0.01 0.04 0.16 -0.04 -0.07 -0.01 -0.00 0.01 -0.03 0.02 0.00 0.03 -0.02 -0.01 0.04 0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 0.01 -0.09 -0.02 0.00 -0.16 0.06 -0.02 0.04 0.09 -0.04 0.01 -0.04 0.04 -0.00 -0.01 0.02 0.00 -0.02 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.04 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.02 0.10 -0.15 0.01 0.00 0.01 -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 0.01 0.23 0.00 -0.24 0.35 -0.04 -0.02 -0.02 -0.02 -0.04 0.02 0.01 -0.01 0.02 0.04 -0.00 -0.03 -0.04 0.03 -0.01 -0.04 -0.04 0.02 0.00 -0.05 -0.03 0.01 0.01 0.03 -0.02 -0.04 -0.03 -0.03 0.01 -0.16 0.07 -0.01 0.09 0.01 0.02 -0.02 -0.02 0.00 -0.00 0.00 -0.11 0.71 0.30 -0.03 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.01 0.02 -0.00 0.00 -0.01 0.01 -0.01 -0.04 -0.00 -0.05 0.03 -0.01 -0.00 0.03 0.05 -0.04 0.20 -0.06 0.01 -0.06 -0.00 -0.01 0.01 -0.02 0.01 -0.04 -0.01 0.01 -0.06 -0.02 0.00 -0.06 0.01 -0.02 -0.04 -0.00 0.02 0.01 -0.02 0.01 0.02 0.02 0.01 0.02 0.01 0.02 -0.05 0.00 -0.02 -0.06 0.02 0.01 0.02 -0.02 0.01 0.02 -0.02 -0.04 -0.02 0.02 0.01 0.01 -0.02 0.02 0.01 -0.01 0.02 0.01 0.02 0.01 0.00 -0.00 -0.01 -0.01 -0.35 -0.32 -0.12 0.14 0.03 0.03 0.02 0.03 -0.03 0.08 -0.05 -0.11 0.04 -0.04 -0.11 0.00 0.10 0.15 -0.08 -0.02 0.16 0.13 -0.12 -0.02 0.12 0.16 -0.04 -0.06 -0.04 0.10 0.09 0.04 0.13 -0.04 0.53 -0.25 -0.01 0.07 0.01 -0.03 0.02 0.03 -0.01 0.00 0.01 -0.03 0.19 0.07 0.03 0.01 0.03 -0.07 0.03 0.06 0.09 0.04 0.02 -0.05 0.05 0.03 0.05 -0.03 -0.02 -0.03 -0.01 -0.00 0.01 0.03 0.02 0.01 -0.00 0.01 0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.02 -0.01 0.10 -0.02 -0.00 -0.03 -0.01 0.01 0.00 -0.01 0.00 -0.02 -0.01 0.00 -0.03 -0.01 -0.00 -0.03 -0.01 0.04 0.10 0.00 0.00 -0.01 0.07 -0.02 -0.04 -0.06 -0.02 -0.07 0.00 0.01 -0.01 -0.08 0.08 0.20 -0.09 -0.02 -0.08 0.04 -0.02 -0.06 0.14 0.16 0.08 -0.06 -0.05 -0.02 0.08 -0.08 -0.05 0.03 -0.07 -0.04 -0.10 -0.01 -0.00 0.02 0.06 0.04 -0.17 -0.15 -0.06 -0.00 0.02 0.01 0.01 0.02 -0.02 0.03 -0.02 -0.05 0.02 -0.01 -0.06 0.01 0.04 0.07 -0.04 -0.01 0.07 0.07 -0.05 -0.01 0.06 0.08 -0.02 -0.03 -0.02 0.06 0.04 0.01 0.07 -0.02 0.21 -0.10 -0.00 0.03 -0.00 0.06 -0.02 -0.03 0.15 -0.01 0.00 -0.01 0.05 0.02 -0.11 -0.01 -0.09 0.34 -0.13 -0.28 -0.43 -0.17 -0.08 0.14 -0.13 -0.07 -0.25 0.12 0.07 0.06 0.04 0.02 -0.02 -0.11 -0.06 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.03 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.02 0.05 0.00 -0.01 -0.00 -0.06 -0.02 -0.07 -0.06 0.02 0.04 -0.00 -0.00 0.01 0.27 -0.02 0.03 0.03 -0.00 -0.01 0.07 -0.03 -0.05 -0.24 0.13 0.08 -0.10 -0.04 -0.02 -0.01 -0.01 -0.00 0.10 0.01 0.00 -0.01 -0.07 -0.04 -0.00 0.04 0.02 -0.09 -0.02 -0.02 -0.10 -0.01 -0.03 -0.00 0.00 -0.02 0.00 -0.01 -0.02 0.01 -0.01 -0.02 0.01 0.01 0.02 -0.01 -0.01 0.02 0.02 -0.02 -0.00 0.01 0.02 -0.01 -0.01 -0.00 0.02 0.01 -0.00 0.02 -0.00 0.05 -0.02 0.00 -0.01 -0.00 -0.19 0.02 0.02 -0.28 0.01 -0.04 0.00 -0.03 -0.01 -0.37 -0.03 -0.17 -0.21 0.08 0.14 0.20 0.06 0.04 0.36 -0.28 -0.18 0.14 -0.01 -0.01 0.31 0.02 -0.00 -0.02 -0.06 -0.03 -0.00 -0.00 0.01 0.02 -0.01 0.01 -0.02 -0.02 0.07 0.00 0.02 -0.04 0.01 0.03 -0.04 -0.03 0.02 0.07 0.04 -0.03 -0.03 0.05 0.02 -0.04 0.01 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.01 -0.02 -0.01 0.08 0.19 0.00 -0.04 0.01 0.06 -0.04 -0.08 -0.10 -0.01 -0.06 -0.01 -0.00 0.03 0.03 0.06 0.13 -0.10 -0.02 -0.07 0.09 -0.04 -0.08 -0.04 -0.13 -0.09 0.10 0.04 0.02 -0.09 0.07 0.05 -0.09 0.07 0.04 0.11 0.04 0.02 -0.02 -0.10 -0.06 -0.40 0.20 -0.08 -0.53 0.10 -0.14 -0.03 -0.01 -0.09 -0.03 -0.01 -0.06 0.04 -0.01 -0.06 0.02 0.01 0.04 -0.02 -0.02 0.04 0.04 -0.04 -0.01 -0.01 0.05 -0.02 -0.02 0.02 0.05 0.01 -0.02 0.04 0.00 0.02 -0.02 0.00 -0.09 0.01 0.10 -0.06 -0.11 -0.11 -0.01 -0.06 0.02 -0.09 -0.03 0.22 -0.01 0.04 -0.14 0.05 0.08 0.00 0.01 -0.00 0.01 0.01 -0.01 0.14 -0.09 -0.05 -0.15 -0.05 -0.02 0.02 0.10 0.06 0.01 0.00 -0.02 0.01 -0.01 -0.03 0.02 0.05 -0.07 -0.01 -0.03 0.05 -0.01 -0.06 0.08 0.04 -0.01 -0.05 -0.06 0.03 0.02 -0.08 -0.00 0.06 -0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.00 0.01 0.01 0.03 0.06 0.00 0.05 -0.04 0.03 -0.02 -0.04 -0.06 -0.00 -0.02 0.01 -0.00 -0.05 0.04 0.03 0.09 -0.05 -0.01 -0.03 0.04 -0.02 -0.04 -0.03 -0.04 -0.03 0.04 0.01 0.01 -0.04 0.03 0.02 -0.04 0.03 0.02 0.05 0.01 0.01 -0.01 -0.04 -0.03 0.50 -0.39 0.07 0.58 -0.15 0.17 0.04 0.02 0.09 0.04 0.01 0.07 -0.04 0.01 0.06 -0.01 -0.01 -0.03 0.01 0.02 -0.04 -0.02 0.04 0.01 0.02 -0.04 0.01 0.02 -0.03 -0.04 0.00 0.03 -0.03 -0.00 -0.01 0.01 -0.00 0.15 -0.04 -0.12 0.04 0.06 0.02 0.01 0.01 -0.02 0.10 0.03 -0.02 -0.01 -0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.05 -0.04 -0.03 0.07 -0.04 -0.02 -0.04 -0.02 -0.01 0.01 0.04 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.00 0.02 -0.01 -0.00 -0.00 0.01 -0.00 -0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.04 0.10 0.00 0.01 -0.02 -0.03 0.01 0.01 0.05 -0.00 0.00 0.00 -0.01 -0.01 -0.03 -0.03 -0.07 -0.03 -0.00 -0.02 0.02 -0.01 -0.02 0.02 0.04 0.03 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.02 -0.02 -0.02 -0.03 -0.01 -0.01 0.00 0.02 0.01 0.04 -0.05 0.00 0.05 -0.05 0.02 0.01 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.03 -0.03 0.35 -0.12 -0.26 -0.39 -0.03 -0.17 -0.00 0.02 0.01 0.49 0.01 0.19 -0.40 0.13 0.28 -0.07 -0.02 -0.02 0.03 -0.02 -0.02 -0.10 0.06 0.04 0.09 0.03 0.01 0.01 0.03 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.00 0.01 0.00 -0.00 -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.04 0.00 0.01 -0.02 0.02 -0.01 -0.02 -0.03 -0.00 -0.02 0.00 -0.01 -0.01 0.00 0.02 0.02 -0.02 -0.00 -0.01 0.02 -0.01 -0.01 -0.00 -0.04 -0.03 -0.10 -0.02 -0.01 0.08 -0.04 -0.03 0.02 -0.00 -0.00 -0.02 0.00 0.00 0.02 0.09 0.05 -0.01 -0.02 -0.00 -0.04 -0.06 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.01 -0.03 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.02 0.01 0.08 -0.00 0.03 -0.04 0.01 0.03 0.53 0.19 0.08 -0.44 0.34 0.20 0.23 -0.15 -0.10 -0.25 -0.07 -0.04 -0.06 -0.28 -0.17 0.01 -0.00 -0.00 0.01 -0.00 -0.03 0.02 -0.14 -0.05 0.01 -0.06 -0.04 0.02 0.15 -0.16 0.02 -0.01 -0.01 -0.05 0.03 -0.02 -0.04 0.01 0.03 -0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.03 -0.03 -0.11 0.21 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.03 0.12 0.09 -0.00 0.00 0.00 -0.03 0.00 -0.01 0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.02 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.02 0.01 0.37 -0.26 0.02 0.29 0.56 0.13 0.05 0.01 0.09 0.03 0.01 0.05 -0.05 0.02 0.08 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 0.00 0.02 -0.02 0.00 0.01 -0.03 -0.02 -0.01 0.01 -0.00 -0.01 0.06 -0.03 -0.05 0.03 0.26 0.02 0.00 -0.02 -0.05 -0.00 -0.02 0.04 -0.15 -0.14 0.10 0.00 0.05 -0.10 0.03 0.07 0.09 0.03 0.01 -0.08 0.06 0.03 0.03 -0.02 -0.01 -0.04 -0.01 -0.00 -0.01 -0.05 -0.03 0.01 -0.01 0.04 0.01 -0.00 -0.01 0.00 -0.02 0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.00 0.03 0.02 -0.01 -0.02 -0.10 -0.02 -0.05 0.02 -0.02 -0.01 -0.01 -0.04 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.78 0.03 0.41 0.07 0.06 0.06 -0.00 0.15 0.05 0.05 0.16 -0.08 -0.00 0.13 0.03 -0.00 0.02 -0.01 -0.00 -0.01 0.03 0.03 -0.00 0.04 0.00 0.00 0.01 -0.00 -0.03 0.01 0.01 0.01 -0.02 0.28 -0.13 0.01 -0.06 -0.01 -0.04 0.02 0.03 -0.01 0.00 -0.00 -0.01 0.02 0.03 0.03 0.00 0.01 -0.03 0.01 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.02 -0.03 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 0.06 -0.09 0.08 0.03 0.00 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.12 0.09 0.02 -0.01 -0.02 -0.00 -0.02 0.08 -0.20 0.01 -0.11 -0.22 0.10 0.02 -0.19 0.42 -0.14 -0.21 0.22 -0.39 -0.22 0.39 -0.30 0.11 -0.01 -0.13 -0.00 0.02 -0.11 0.03 -0.08 -0.07 0.05 -0.00 0.07 -0.03 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 0.01 0.01 -0.02 -0.04 -0.02 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.08 0.01 -0.02 0.00 -0.03 -0.09 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 0.19 0.11 0.03 -0.03 -0.00 -0.00 0.00 0.13 -0.28 -0.02 -0.16 -0.31 0.13 0.09 -0.28 -0.09 0.02 0.03 -0.03 0.09 -0.01 -0.05 0.09 -0.01 0.18 0.43 0.04 0.02 0.32 -0.30 0.21 0.24 -0.24 -0.01 0.10 -0.05 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.02 0.00 0.01 0.01 -0.01 -0.03 0.04 -0.01 0.07 -0.00 0.00 -0.02 0.00 0.04 -0.00 -0.01 -0.12 0.02 -0.05 0.08 -0.05 0.01 -0.01 0.00 -0.05 -0.01 0.00 0.01 -0.02 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.05 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.08 -0.02 -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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.54 -0.11 0.03 -0.50 0.31 -0.05 0.01 -0.06 0.20 0.06 0.10 0.25 -0.07 -0.09 0.15 0.01 0.00 0.00 0.02 -0.02 -0.04 0.05 0.02 0.01 0.09 0.01 0.01 0.01 -0.00 -0.06 0.02 0.02 0.01 -0.02 0.23 -0.10 0.02 -0.21 -0.04 0.04 -0.03 -0.03 0.00 -0.00 -0.00 -0.02 0.07 0.11 -0.01 -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 -0.01 0.01 -0.02 -0.00 0.01 -0.02 0.00 -0.08 0.04 -0.01 0.12 0.00 0.00 -0.02 -0.01 -0.02 -0.01 0.01 0.06 0.03 0.02 -0.05 -0.04 -0.01 0.00 -0.00 0.04 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.10 -0.00 0.02 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.12 -0.02 0.00 -0.00 -0.01 -0.02 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.22 -0.16 -0.03 0.38 0.61 0.11 0.02 0.07 -0.14 -0.04 -0.09 -0.23 0.04 0.11 -0.11 -0.03 0.00 -0.01 -0.02 0.02 0.04 -0.05 -0.02 -0.01 -0.05 -0.02 -0.01 0.00 -0.04 0.04 -0.04 -0.03 -0.01 0.01 -0.15 0.07 0.04 -0.35 -0.04 -0.05 0.02 0.05 0.01 0.01 0.01 -0.04 0.12 0.18 0.03 0.01 0.02 -0.04 0.02 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 0.01 0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.02 0.00 -0.02 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.05 0.01 0.02 -0.03 0.00 0.00 0.01 -0.00 -0.05 -0.03 0.03 0.01 -0.02 -0.05 0.02 0.02 0.02 0.05 -0.00 0.01 0.01 -0.12 0.02 0.02 0.12 -0.01 -0.01 0.00 -0.01 -0.00 0.01 0.03 0.08 0.10 -0.02 -0.03 -0.11 0.00 -0.01 0.00 0.02 -0.00 0.02 -0.02 -0.01 -0.03 -0.01 -0.01 -0.06 0.02 0.02 0.06 0.01 0.00 0.00 0.01 0.01 -0.19 -0.11 -0.02 0.14 0.07 0.03 0.02 -0.06 0.17 0.01 0.09 0.18 -0.09 -0.03 0.17 0.17 -0.05 -0.07 0.08 -0.16 -0.07 0.15 -0.12 0.04 0.08 0.27 0.02 -0.01 0.20 -0.15 0.13 0.14 -0.14 0.01 -0.12 0.05 0.00 -0.04 0.01 0.19 -0.09 -0.21 -0.23 -0.04 -0.17 -0.00 0.01 0.02 -0.21 -0.04 -0.16 0.11 -0.08 -0.18 -0.00 -0.03 -0.02 -0.02 -0.02 -0.02 0.13 -0.11 -0.07 -0.17 -0.07 -0.04 -0.03 -0.16 -0.10 -0.01 0.00 -0.01 -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 0.01 0.05 0.02 0.02 -0.00 -0.01 -0.01 0.01 0.00 -0.07 -0.04 0.03 0.01 -0.02 -0.07 0.03 -0.01 -0.01 -0.03 0.00 -0.01 -0.00 0.07 -0.01 -0.01 -0.07 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.05 -0.06 0.01 0.02 0.06 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.01 0.02 0.01 0.00 0.03 -0.01 -0.01 -0.04 -0.00 -0.00 -0.00 -0.01 -0.00 -0.22 -0.14 -0.02 0.03 0.02 -0.01 0.00 -0.10 0.22 0.01 0.13 0.26 -0.11 -0.07 0.22 0.21 -0.06 -0.09 0.10 -0.20 -0.09 0.19 -0.15 0.05 0.11 0.34 0.03 -0.01 0.25 -0.19 0.17 0.18 -0.17 0.01 -0.14 0.06 -0.00 0.02 -0.00 -0.13 0.06 0.14 0.14 0.02 0.10 0.00 -0.00 -0.00 0.12 0.03 0.10 -0.07 0.05 0.11 0.00 0.02 0.01 0.01 0.01 0.01 -0.08 0.07 0.04 0.11 0.04 0.02 0.02 0.10 0.06 0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.04 0.20 0.13 0.01 -0.07 -0.04 -0.01 0.00 0.04 0.00 -0.01 -0.00 -0.02 0.01 0.00 0.03 -0.13 -0.03 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.03 -0.15 -0.10 0.01 -0.01 -0.02 0.03 0.00 0.01 -0.00 0.04 0.00 -0.01 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.16 0.80 0.06 0.09 0.08 0.02 0.00 -0.05 -0.09 -0.04 0.12 0.02 0.02 -0.01 -0.04 -0.01 -0.01 0.05 -0.06 -0.05 0.00 -0.03 -0.01 -0.00 0.00 -0.02 0.02 -0.01 -0.00 -0.01 -0.01 0.05 -0.02 -0.00 0.30 -0.08 -0.06 0.01 0.04 -0.08 -0.00 -0.03 0.02 -0.08 -0.10 -0.08 0.00 -0.02 -0.05 0.01 0.01 -0.03 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.04 -0.01 -0.01 -0.01 -0.03 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -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 0.02 0.03 0.07 0.00 -0.00 -0.00 -0.05 -0.00 -0.02 0.04 -0.02 -0.03 -0.00 0.00 0.00 0.01 0.04 0.06 0.06 -0.01 -0.01 -0.06 0.00 -0.00 -0.02 -0.13 -0.09 -0.08 0.06 0.04 0.10 0.03 0.02 0.14 -0.02 -0.01 -0.14 0.02 0.02 -0.02 -0.10 -0.06 0.00 0.01 -0.00 0.04 0.04 0.01 0.02 0.02 0.00 0.00 -0.01 -0.01 -0.01 0.02 0.01 0.01 -0.00 -0.01 -0.01 -0.00 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 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.05 -0.04 -0.10 -0.07 -0.02 -0.08 0.00 -0.00 -0.00 -0.15 -0.01 -0.11 0.11 -0.05 -0.13 0.17 0.15 0.08 -0.09 0.19 0.11 -0.23 0.27 0.16 0.34 0.19 0.10 0.11 0.50 0.30 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.00 0.02 0.02 -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 -0.01 0.00 -0.01 -0.03 -0.00 -0.01 -0.07 0.14 -0.25 0.07 -0.05 0.00 0.20 -0.08 0.13 -0.07 -0.15 -0.10 -0.02 0.28 -0.27 -0.24 -0.01 0.52 -0.15 0.04 0.12 0.05 -0.38 -0.06 -0.14 0.32 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 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.04 0.00 -0.00 0.02 0.03 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 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 -0.05 -0.05 -0.01 0.20 0.25 -0.15 0.41 -0.15 0.02 -0.09 -0.14 0.20 0.14 -0.14 -0.30 -0.15 0.05 0.35 -0.36 -0.38 0.00 -0.16 0.05 -0.01 -0.04 -0.01 0.11 0.03 0.05 -0.10 -0.00 -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 0.01 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 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.04 -0.01 -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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.00 -0.00 0.03 0.03 0.01 -0.04 0.01 -0.10 0.13 -0.02 0.04 0.01 -0.14 0.04 -0.40 -0.10 -0.38 0.01 0.40 -0.36 0.22 -0.22 0.07 0.16 -0.18 -0.00 -0.07 0.22 0.01 0.17 0.04 0.30 -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 -0.00 0.00 0.00 0.00 0.00 0.00 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 -0.04 0.01 0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 0.00 -0.00 -0.02 -0.01 -0.01 0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.02 0.03 0.00 0.04 0.16 -0.27 0.43 -0.12 0.08 -0.03 -0.31 0.19 -0.01 0.08 0.21 0.07 -0.09 -0.09 0.10 0.22 -0.02 0.35 0.03 0.03 0.18 -0.15 -0.37 -0.25 -0.21 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 0.00 -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 -0.01 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.04 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.03 -0.02 0.00 -0.00 0.02 0.01 0.02 0.03 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.04 -0.01 -0.01 -0.07 -0.06 -0.02 0.29 0.16 0.24 -0.08 -0.05 -0.15 -0.14 0.36 0.07 -0.22 -0.04 -0.19 0.00 0.21 -0.19 0.14 -0.12 0.04 -0.02 0.23 0.01 0.16 -0.34 -0.15 -0.30 -0.14 -0.31 -0.00 0.02 -0.01 0.00 -0.02 -0.01 0.03 -0.01 -0.01 0.03 0.00 0.01 0.00 -0.02 -0.02 0.03 0.00 0.01 0.02 -0.01 -0.01 0.03 0.00 0.00 0.03 -0.02 -0.01 0.03 -0.01 -0.01 0.03 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.08 -0.01 -0.00 0.00 -0.01 -0.01 -0.04 0.02 0.05 -0.05 -0.01 -0.05 -0.00 0.00 0.00 0.04 -0.01 -0.01 -0.06 -0.01 -0.04 -0.04 0.02 0.05 0.09 -0.01 -0.01 -0.07 -0.06 -0.03 -0.05 0.07 0.05 -0.07 0.09 0.05 -0.09 -0.06 -0.03 0.08 -0.01 -0.01 0.00 -0.00 0.00 0.02 0.08 0.01 0.03 0.03 -0.01 0.03 -0.02 -0.01 -0.01 0.00 0.02 0.04 0.02 0.07 0.02 -0.06 0.01 -0.00 0.06 -0.01 0.02 -0.07 -0.00 -0.04 0.10 0.03 0.08 0.03 0.10 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.22 -0.06 -0.12 0.22 0.00 0.05 0.00 -0.01 -0.01 0.24 0.01 0.07 0.21 -0.07 -0.11 0.37 0.07 0.03 0.34 -0.19 -0.12 0.32 -0.18 -0.12 0.36 0.08 0.03 0.10 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.03 -0.03 -0.02 0.01 0.01 0.00 0.00 0.00 -0.00 -0.02 -0.03 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.09 -0.08 -0.02 0.43 0.32 0.17 0.12 -0.15 -0.21 -0.21 0.35 0.20 0.04 0.08 0.20 0.07 -0.14 -0.06 0.07 0.19 -0.02 0.05 -0.20 -0.01 -0.10 0.27 0.08 0.21 0.09 0.26 0.00 -0.02 0.01 -0.00 0.01 0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 0.02 0.02 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.04 -0.01 -0.00 -0.03 0.02 0.01 -0.03 0.02 0.01 -0.04 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.06 0.05 0.02 -0.14 -0.06 0.01 -0.19 0.03 -0.00 -0.00 -0.01 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 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.27 -0.06 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.04 0.25 0.12 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 0.00 0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.24 -0.01 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.02 0.01 0.03 0.01 -0.03 0.01 -0.00 0.02 -0.00 0.01 -0.06 -0.00 -0.04 0.09 0.03 0.09 0.04 0.08 0.00 -0.01 0.00 0.07 -0.51 -0.14 0.02 -0.01 -0.01 0.04 0.00 0.01 0.12 -0.44 -0.43 0.03 -0.00 0.01 0.03 -0.01 -0.01 -0.04 -0.01 -0.00 -0.04 0.02 0.01 -0.04 0.02 0.01 -0.04 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 -0.00 0.02 0.01 -0.00 0.01 0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 -0.01 -0.01 0.00 -0.03 -0.00 -0.09 0.04 0.09 -0.12 -0.02 -0.07 0.00 -0.02 -0.01 0.15 -0.02 -0.02 -0.06 -0.02 -0.06 -0.04 0.03 0.08 -0.11 0.01 0.01 0.03 0.04 0.02 0.01 -0.04 -0.02 0.07 -0.06 -0.04 0.09 0.04 0.02 -0.06 0.01 0.01 -0.00 0.00 0.00 0.05 0.08 0.01 -0.03 -0.02 -0.01 -0.01 0.01 0.01 0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.05 0.01 0.33 -0.10 -0.19 0.35 0.01 0.10 -0.01 0.03 0.03 0.37 -0.02 0.10 0.33 -0.08 -0.18 -0.24 -0.04 -0.00 -0.21 0.11 0.05 -0.21 0.13 0.08 -0.25 -0.07 -0.03 -0.08 0.01 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 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.10 0.24 -0.00 0.00 0.00 0.04 -0.06 -0.15 -0.04 -0.05 -0.13 0.00 -0.00 -0.00 -0.01 -0.06 -0.16 0.09 0.03 0.11 -0.09 0.06 0.13 -0.03 -0.14 -0.08 0.11 0.09 0.05 -0.06 0.12 0.07 0.00 -0.13 -0.08 -0.07 -0.12 -0.07 0.05 0.23 0.14 0.00 0.01 -0.00 0.04 -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 -0.23 0.02 0.01 0.13 -0.04 -0.08 -0.00 0.00 0.00 -0.25 0.03 -0.02 0.26 -0.05 -0.12 -0.27 -0.04 0.01 0.25 -0.11 -0.05 -0.16 -0.03 -0.02 0.15 -0.07 -0.05 -0.07 -0.35 -0.20 -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 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.10 0.25 -0.00 0.00 0.00 0.08 -0.07 -0.17 -0.04 -0.05 -0.13 0.00 -0.00 -0.00 -0.01 -0.11 -0.23 0.04 0.04 0.12 -0.09 0.07 0.16 0.04 0.20 0.14 -0.09 -0.11 -0.07 0.04 -0.13 -0.08 -0.03 0.14 0.08 0.09 0.12 0.07 -0.05 -0.23 -0.13 0.00 0.01 -0.00 0.03 -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 -0.27 0.04 0.06 0.14 -0.04 -0.07 -0.00 0.00 0.00 -0.17 0.03 0.05 0.26 -0.06 -0.08 0.21 -0.03 -0.01 -0.23 0.04 0.04 0.19 -0.00 -0.00 -0.19 0.05 0.04 0.06 0.29 0.17 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.00 -0.02 -0.00 0.00 0.00 0.06 -0.01 -0.01 0.08 -0.00 0.02 -0.00 0.00 0.00 0.11 -0.01 0.00 -0.09 0.00 -0.03 -0.08 0.01 0.02 -0.22 0.03 0.02 0.28 0.03 0.01 0.26 -0.10 -0.07 -0.23 0.09 0.06 -0.26 -0.02 -0.00 0.12 -0.02 -0.01 0.00 -0.00 -0.00 -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 0.02 0.06 -0.08 -0.01 -0.05 0.00 -0.00 -0.00 0.15 -0.00 0.07 0.09 -0.03 -0.10 -0.34 -0.18 -0.08 -0.26 0.28 0.15 0.18 -0.21 -0.13 0.26 0.15 0.08 0.14 -0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.00 0.03 0.00 -0.01 -0.00 -0.24 0.04 0.05 -0.30 0.00 -0.06 0.00 -0.00 -0.00 -0.20 0.01 -0.02 0.30 -0.00 0.07 0.26 -0.05 -0.08 -0.03 0.02 0.02 0.10 -0.00 -0.00 0.09 -0.05 -0.03 -0.09 0.04 0.03 -0.09 0.00 0.00 0.04 -0.02 -0.01 -0.00 0.00 0.00 0.06 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.00 0.00 0.01 -0.00 0.14 -0.09 -0.22 0.28 0.04 0.18 -0.00 0.00 0.00 -0.38 -0.03 -0.19 -0.21 0.11 0.26 -0.09 -0.06 -0.04 -0.09 0.08 0.06 0.08 -0.08 -0.05 0.08 0.06 0.03 0.06 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.03 0.03 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.02 -0.28 0.30 0.10 -0.12 -0.31 0.12 0.35 0.08 0.16 0.06 0.26 -0.12 -0.37 -0.16 -0.17 -0.05 0.05 0.51 0.00 0.00 -0.03 0.03 0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.01 0.03 0.03 -0.01 -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 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.01 -0.21 -0.01 -0.00 0.03 0.28 -0.31 -0.10 0.12 0.31 -0.12 -0.35 -0.08 -0.17 0.05 0.21 -0.10 -0.31 -0.13 -0.14 -0.04 0.05 0.43 0.01 -0.01 -0.19 0.20 0.05 0.08 -0.08 0.08 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 0.01 0.00 -0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.12 -0.06 0.88 0.01 0.01 -0.06 0.03 -0.03 -0.01 0.01 0.04 -0.01 -0.03 -0.01 -0.02 0.00 0.02 -0.01 -0.02 -0.01 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.29 0.26 0.06 0.11 -0.10 0.11 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 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -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 0.05 0.02 -0.36 -0.00 -0.00 0.02 -0.11 0.12 0.04 -0.04 -0.12 0.05 0.12 0.03 0.06 -0.02 -0.10 0.05 0.14 0.06 0.06 0.02 -0.02 -0.21 0.03 -0.01 -0.53 0.53 0.13 0.22 -0.20 0.21 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 0.04 -0.01 0.00 -0.04 -0.02 -0.07 0.01 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.04 -0.17 0.19 0.07 -0.00 -0.03 0.01 -0.26 -0.07 -0.13 -0.02 -0.06 0.01 0.57 0.24 0.24 -0.07 0.06 0.57 0.01 -0.00 -0.19 -0.15 -0.04 -0.06 -0.01 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.08 0.03 -0.01 -0.01 -0.01 -0.02 0.02 -0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.09 0.40 -0.45 -0.16 -0.04 -0.05 0.02 0.55 0.15 0.28 -0.01 -0.03 0.01 0.21 0.09 0.09 -0.02 0.02 0.20 0.02 -0.00 -0.21 -0.18 -0.04 -0.07 -0.04 0.05 0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.03 -0.05 -0.01 -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 0.03 -0.00 -0.00 0.01 0.09 -0.10 -0.04 -0.02 -0.05 0.02 0.10 0.03 0.05 -0.01 -0.05 0.02 0.22 0.09 0.09 -0.03 0.02 0.23 -0.05 0.01 0.64 0.58 0.14 0.23 0.06 -0.08 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.09 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 -0.01 0.01 0.00 -0.04 -0.23 0.23 0.09 0.28 0.73 -0.31 0.34 0.07 0.17 -0.02 -0.07 0.03 0.02 0.01 0.01 -0.01 0.01 0.07 -0.00 -0.00 0.01 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.04 -0.07 0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 -0.01 0.01 0.01 0.02 0.06 -0.03 0.03 0.01 0.02 0.17 0.82 -0.36 0.26 0.10 0.13 0.02 -0.04 -0.23 -0.00 0.00 0.03 0.02 0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.01 -0.08 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 -0.02 -0.00 0.07 -0.17 -0.07 0.97 -0.06 0.07 0.02 0.01 0.02 -0.01 -0.03 -0.01 -0.02 -0.00 -0.02 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 0.02 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.06 -0.05 -0.04 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 0.01 -0.00 -0.00 0.03 -0.02 0.02 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.33 -0.13 -0.05 -0.07 -0.59 0.67 0.24 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 0.01 0.02 0.01 0.03 0.03 0.02 0.02 -0.04 -0.02 -0.04 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.01 0.04 -0.02 -0.01 -0.03 -0.09 0.23 0.13 -0.19 -0.20 -0.11 -0.33 -0.34 -0.19 -0.18 0.43 0.26 0.52 -0.07 -0.06 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.03 0.02 0.02 0.03 0.01 -0.03 -0.03 -0.02 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 -0.01 -0.00 -0.01 0.01 -0.01 -0.03 -0.00 0.00 -0.00 -0.04 0.04 0.09 0.07 0.02 0.08 0.15 -0.39 -0.23 -0.29 -0.31 -0.16 0.34 0.35 0.20 -0.17 0.42 0.25 -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 0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.02 -0.01 -0.03 -0.00 0.00 0.00 -0.01 0.03 0.02 -0.03 -0.03 -0.01 0.01 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 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.05 0.02 0.06 0.08 -0.08 -0.20 0.00 0.00 -0.00 0.11 -0.11 -0.28 0.24 0.08 0.30 0.15 -0.38 -0.22 0.29 0.31 0.17 -0.04 -0.03 -0.02 -0.01 0.01 0.01 0.49 -0.07 -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.03 -0.03 -0.01 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.02 0.01 0.01 0.02 0.01 -0.01 0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 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 -0.05 -0.02 -0.06 0.15 -0.14 -0.36 0.00 0.00 -0.00 -0.14 0.14 0.36 0.40 0.14 0.50 -0.01 0.02 0.01 -0.18 -0.19 -0.10 -0.16 -0.17 -0.10 0.08 -0.18 -0.11 -0.16 0.02 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.02 -0.05 0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.03 0.02 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.02 0.01 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.11 -0.04 -0.14 -0.10 0.09 0.23 -0.00 -0.00 0.00 -0.24 0.24 0.62 -0.15 -0.05 -0.19 0.13 -0.31 -0.18 0.08 0.09 0.05 -0.06 -0.06 -0.03 0.07 -0.18 -0.11 0.32 -0.04 -0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.03 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.03 -0.02 -0.03 -0.03 -0.02 -0.02 -0.02 -0.01 0.01 -0.03 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.06 -0.02 -0.07 0.05 -0.05 -0.12 0.00 0.00 0.00 -0.13 0.13 0.34 0.10 0.04 0.13 -0.15 0.38 0.22 0.34 0.36 0.19 0.26 0.26 0.15 -0.12 0.29 0.17 0.05 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 0.02 0.02 0.01 -0.03 -0.03 -0.02 -0.01 0.03 0.02 -0.05 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 0.02 0.01 0.02 0.06 -0.06 -0.14 0.00 0.00 -0.00 0.02 -0.02 -0.06 -0.03 -0.01 -0.04 -0.10 0.25 0.15 -0.21 -0.22 -0.12 0.30 0.31 0.17 0.15 -0.37 -0.22 0.56 -0.08 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.02 -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.04 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.01 0.02 -0.30 0.28 0.70 0.00 0.00 -0.00 0.02 -0.02 -0.05 0.34 0.12 0.42 -0.04 0.10 0.06 -0.03 -0.03 -0.02 0.05 0.05 0.03 0.02 -0.05 -0.03 0.07 -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 -0.05 -0.02 -0.06 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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.59 0.21 0.74 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.08 0.08 0.20 -0.02 -0.01 -0.02 0.00 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 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 0.06 -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 -0.03 -0.02 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 -0.09 -0.61 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.09 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -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 -0.17 -0.10 0.96 0.01 0.00 0.02 -0.00 0.00 0.00 0.01 0.09 -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 -0.05 -0.02 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.79 0.36 0.50 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 8 8 7 7 7 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 8 8 7 7 7 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 15.99491 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 337.17903 0.99999 -0.00381 0.00359 0.00374 0.99981 0.01902 -0.00366 -0.01901 0.99981 asymmetric 1 0.02647 0.00443 0.00413 0.55160 0.09237 0.08603 1046611.1 23.70 43.76 63.50 72.77 88.81 119.26 121.23 128.72 156.69 184.01 239.45 272.95 312.06 336.60 352.23 377.74 418.75 422.53 458.31 475.98 485.57 495.10 529.98 564.91 574.47 594.63 598.34 599.69 618.45 686.09 748.98 755.64 789.22 804.09 850.67 885.17 907.54 938.37 968.49 1009.64 1024.63 1040.48 1062.73 1117.76 1121.51 1171.43 1205.74 1214.06 1236.69 1239.84 1266.29 1306.70 1318.19 1348.37 1360.58 1364.17 1365.79 1398.48 1402.42 1421.92 1433.44 1439.61 1452.95 1453.87 1465.98 1469.19 1483.90 1496.59 1516.36 1533.25 1544.60 1589.90 1593.40 1643.91 1647.04 1700.73 1713.82 1724.88 1742.50 1754.72 1765.06 1781.27 1785.55 1813.32 1853.32 1866.29 1869.40 1878.60 1904.02 1913.75 1927.68 1960.94 1967.06 1999.86 2017.97 2022.80 2026.84 2038.34 2064.21 2064.68 2108.05 2122.75 2124.24 2134.38 2139.69 2161.63 2175.83 2181.84 2187.39 2209.27 2221.42 2307.10 2329.97 2355.84 2365.53 4345.34 4349.78 4356.96 4365.66 4430.76 4433.37 4443.35 4452.30 4477.50 4482.17 4496.20 4547.09 4555.49 4567.24 4571.25 4573.69 4578.55 4588.59 4594.01 4619.68 4676.44 4690.40 5452.56 0.398633 0.421086 0.422030 0.345700 -1090.639818 -1090.617365 -1090.616420 -1090.692751 264.236 88.757 160.650 0.000 0.000 0.000 0.889 2.981 43.341 0.889 2.981 35.549 262.458 82.795 81.761 1 0.593 1.986 7.019 2 0.594 1.984 5.802 3 0.595 1.980 5.064 4 0.595 1.977 4.795 5 0.597 1.973 4.401 6 0.600 1.961 3.821 7 0.601 1.960 3.789 8 0.602 1.957 3.672 9 0.606 1.942 3.288 10 0.611 1.925 2.978 11 0.624 1.884 2.475 12 0.633 1.854 2.231 13 0.646 1.815 1.985 14 0.654 1.789 1.848 15 0.660 1.771 1.768 16 0.670 1.741 1.645 17 0.687 1.690 1.468 18 0.688 1.686 1.453 19 0.705 1.638 1.318 20 0.713 1.614 1.256 21 0.718 1.601 1.224 22 0.723 1.587 1.193 23 0.741 1.537 1.087 24 0.760 1.486 0.990 25 0.765 1.472 0.965 26 0.777 1.441 0.915 27 0.779 1.436 0.906 28 0.780 1.434 0.903 29 0.791 1.405 0.859 30 0.833 1.301 0.719 31 0.876 1.204 0.609 32 0.880 1.194 0.598 33 0.904 1.143 0.547 34 0.914 1.120 0.526 35 0.949 1.050 0.465 36 0.975 1.000 0.424 0.222550e+25 24.347428 56.062024 0.697597e+09 8.843605 20.363152 0.100000e+01 0.000000 0.000000 0.243357e+09 8.386245 19.310042 0.131093e+08 7.117578 16.388830 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1091.0384508 4.012E-9 4.133E-6 0.3986331 0.4210862 -1090.6173645 -1090.6164204 -1090.6927506 6.1755281,-10.3960629,4.2205348,0.4130823,-2.9677082,-5.6762544 C01 [X(C20H23N3O2)] -0.3586862 0.7734199 -0.3359198 -0.8073839 0.1599119 0.0108045 0.0739822 -1.0814367 -0.3974436 -0.014958 -0.4343326 -0.8367379 -3.0567282 0.0304163 0.2597623 -0.4189226 -0.5378835 -0.0852575 0.1243584 -0.2177621 -0.6500239 -0.3481807 -0.0837896 -0.0055712 0.0924411 -0.9131723 -0.5892677 0.2591946 -0.3210995 -0.3269672 -0.2604188 -0.1042198 -0.1134878 -0.0308627 -0.0884029 0.1061965 -0.0539271 -0.2150164 -0.7022762 -0.3908619 0.0578259 -0.0367794 0.1097077 -0.9370277 -0.1419059 -0.0474585 -0.015304 -0.628362 0.1701301 0.0360377 0.0328688 -0.0728267 0.1926851 0.0011062 -0.0804196 -0.0594543 0.1599952 0.4693765 0.0171127 0.0064187 0.0085096 0.7962814 0.2753848 0.00299 0.2752471 0.518893 1.39057 -0.162503 -0.4362354 0.03464 1.1442479 0.4403484 -0.9028257 0.403041 0.7878363 0.0365808 0.0246877 -0.0150028 0.0242586 0.0256409 0.0532812 0.0162376 0.0761243 -0.0064767 0.0091232 -0.0477258 -0.051109 -0.0186377 0.0648896 -0.0398639 0.0098243 -0.0065797 0.0722534 0.056497 0.0203013 0.0030293 0.012128 0.0065707 -0.036049 0.0105709 -0.019168 0.0626769 2.2988697 0.0121137 0.0210125 0.2176309 0.1352047 -0.0591666 0.4519119 -0.0706295 0.1639105 0.0642561 0.0410203 0.0476766 -0.0168359 0.6700741 0.3770717 -0.0373789 0.4700107 0.520941 -0.4482999 -0.0225315 0.0639482 0.0798154 -0.179908 -0.0141473 -0.389074 -0.0355228 -0.1077271 -0.4867259 0.0254794 -0.0323356 -0.0971102 -0.1748239 -0.0782067 0.2837108 -0.0267272 0.0037878 0.0626753 -0.0556806 0.1402987 -0.048473 0.392679 -0.1428404 0.1581276 -0.1270113 0.5561846 0.1649547 0.0254897 0.0684592 0.0121173 -0.051642 0.0418886 0.0379353 0.0198844 -0.1496144 0.0981357 0.0497798 -0.1012644 -0.054628 -0.1281216 -0.0842064 -0.0206067 -0.0893206 0.0720679 0.0499452 0.0083074 0.0768627 0.0884448 -0.1141569 -0.0640651 0.0513849 -0.0927899 0.0906837 0.6069103 0.0332902 0.0704972 0.0518675 -0.0074018 0.0192973 0.0846166 0.0381126 0.0049244 -0.2731736 0.007864 -0.0019369 0.0519751 -0.1329734 0.0684545 0.0491053 0.0744847 -0.0028739 -0.2217417 -0.0327772 -0.0546322 -0.09127 -0.1479324 0.0445722 -0.1285177 0.0557883 -0.0415237 0.050082 -0.0162335 -0.0517235 -0.0581669 -0.1512257 0.0845955 -0.0398928 0.0783897 0.024245 0.0171262 0.0208389 0.0353385 0.0601792 -0.1373185 0.1061126 0.0247418 0.0880522 0.0491734 -0.1050898 0.0032014 -0.0020165 -0.0004469 -0.1758305 0.04555 -0.0065636 0.042378 -0.0808579 0.0095845 -0.0051188 -0.0060225 0.0175255 -0.105455 0.0489025 -0.0315163 0.0993896 -0.0775891 0.0514041 0.0445595 -0.0423045 0.019118 -0.0249832 0.0150213 0.0693999 0.0154026 -0.031813 -0.0535941 -0.0713508 -0.1382924 -0.0950389 0.0087655 -0.0609562 -0.1443138 -0.0486087 -0.0532622 0.0628716 0.0991171 -0.0043218 0.0955695 -0.1512545 -0.0153864 0.0128682 -0.0568037 0.0546528 -0.1379098 -0.0556013 0.1469196 -0.0235735 0.0783795 0.0309471 0.108223 0.0403338 0.0021159 0.0772134 0.0454763 -0.0169862 0.0043934 -0.1655957 -0.0864613 -0.0278187 -0.065394 0.0580473 -0.1697821 -0.0296701 0.0901633 -0.0103382 0.0858498 -0.017356 0.1394043 -0.0070572 -0.0160859 0.0590367 -0.0087579 -0.0396628 0.0226615 -0.0047688 0.1447495 -0.0796117 0.1041279 -0.137525 0.0943039 0.027735 -0.0048677 0.040093 -0.0597987 0.0938511 -0.0261662 0.1394548 -0.081925 -0.1629402 -0.0015752 0.1252773 -0.0425619 0.0569206 0.0102828 0.1266444 -0.0080439 0.034924 0.0170828 -0.0604123 -0.1299936 -0.0402838 -0.0276499 -0.0718151 -0.1246629 -0.1109582 -0.0435036 0.4178954 0.0015982 0.075931 0.0403184 0.3402586 0.0621394 0.1247725 0.0681063 0.4103061 0.204307 0.0201401 -0.0150316 0.0172204 0.0735491 0.0052016 -0.0248534 0.0301801 0.1428711 0.0160356 -0.0472559 0.0727077 -0.0478803 0.1764368 0.0536581 0.1138769 0.0470515 0.041672 0.0591712 0.007333 -0.0812687 0.0080112 0.169495 0.0653592 -0.0937832 0.0525695 -0.0012831 0.1743608 0.0190381 -0.0180903 0.024026 0.0296054 0.0289719 -0.0183468 0.0236529 0.102608 0.0748527 0.0197756 -0.0706016 0.0255679 0.1527812 0.0534093 -0.080026 0.0632259 -0.0269552 0.0417049 -0.0450625 0.0914909 -0.0583385 0.1427193 0.0633802 0.0859261 0.0609483 0.0261004 0.083654 -0.0350567 -0.070076 -0.0312753 0.1382753 -0.0916856 -0.0702297 -0.0853192 -0.0271277 0.0208269 0.0413593 0.1007475 0.0399739 0.1507922 -0.0626267 0.0998295 -0.0611355 0.0245231 -0.0128905 0.0330354 0.0990581 0.0395515 0.1519046 -0.0726589 0.1190187 -0.0682078 -0.0055349 0.0549154 -0.0275211 -0.0663456 -0.0341792 0.1406934 -0.0978785 -0.0892207 -0.093293 -0.0597743 -0.1287325 -0.020002 -0.033313 -0.0200776 0.1740638 -0.0304888 -0.0325015 -0.030417 0.1104263 451.8101635|10.7231787|284.7333481|10.1850357|13.3422118|354.0380431 -0.000009673 -0.000004981 -0.000008091 0.000006266 0.000017419 0.000002136 0.000001382 -0.000006703 0.000010045 0.000009962 0.000006221 -0.000001036 0.000005462 -0.000009148 -0.000000001 0.000005686 0.000004774 0.000001513 -0.000002996 -0.000001492 0.000006144 -0.000007410 -0.000010667 -0.000000817 -0.000001284 0.000000898 -0.000004754 -0.000000663 -0.000008031 -0.000006141 -0.000004176 -0.000005579 -0.000005341 -0.000001208 -0.000009271 0.000001503 -0.000003772 0.000010566 -0.000002911 -0.000000074 0.000002624 0.000000107 0.000003673 0.000000184 -0.000002923 -0.000016653 -0.000007509 0.000002606 -0.000001742 -0.000000233 0.000003342 0.000001322 0.000001976 -0.000004182 -0.000003765 0.000001097 -0.000001514 0.000001093 0.000003103 -0.000000980 -0.000000064 0.000003045 -0.000000270 0.000002358 0.000000408 -0.000000725 -0.000001183 0.000003929 -0.000000025 -0.000002104 0.000001344 -0.000001941 -0.000001541 0.000002358 -0.000001376 -0.000001176 0.000000405 0.000000241 0.000002763 0.000001067 0.000005320 0.000003407 -0.000000481 -0.000004085 0.000002075 0.000000472 -0.000000260 0.000002373 -0.000001925 0.000000375 -0.000001648 0.000000946 0.000000790 0.000002123 -0.000002003 0.000000869 0.000000445 0.000000394 0.000002006 0.000000793 -0.000003287 0.000003833 0.000001076 -0.000002757 0.000001088 0.000002547 -0.000001232 0.000001195 0.000007780 0.000000282 0.000006289 0.000003504 -0.000002503 0.000000886 -0.000000836 -0.000000768 -0.000001788 -0.000001774 0.000001259 0.000000694 -0.000000797 -0.000001248 0.000003081 0.000000465 0.000000663 -0.000000827 -0.000001190 0.000003084 0.000000551 0.000000334 0.000002596 -0.000000677 -0.000000616 0.000000498 -0.000000838 -0.000000226 0.000003871 -0.000000925 0.000000248 0.000001506 -0.000001083 -0.000000566 0.000002827 -0.000001105 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 12-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C20H23N3O2)] 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/bitertanol_RS/octanol/CONF56/ #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 bitertanol_RS CONF56 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 16 16 14 14 14 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 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 2 2 2 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 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 713 A 688 A 688 1084 713 90 90 2125.6091764272 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531947921 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.666210 0.000000 3.709560 2.344631 0.000000 4.370595 2.921262 1.359574 0.000000 5.846020 4.370679 2.187279 2.260088 0.000000 2.417326 3.800674 3.171154 3.747841 4.772771 0.000000 1.432534 2.354712 2.524006 3.084560 4.579614 1.554373 0.000000 2.379397 1.423221 1.452173 2.457765 3.601051 2.636465 1.543324 0.000000 3.002370 4.342201 3.640844 4.596317 5.017982 1.538469 2.556164 3.060596 0.000000 2.750649 4.831210 4.604854 4.981599 6.229586 1.543284 2.496457 3.926291 2.513393 0.000000 3.780760 4.476314 3.080791 3.273817 4.066339 1.541032 2.555983 3.257324 2.518604 2.487081 0.000000 3.881236 1.381995 2.956870 3.565518 4.544889 5.021266 3.672268 2.429958 5.321315 6.147690 5.615304 0.000000 4.789786 3.450021 1.348830 2.215384 1.321981 3.928292 3.653270 2.521958 3.986269 5.453886 3.615856 3.683691 0.000000 4.576649 2.456330 3.276806 4.184350 4.467582 5.460795 4.362100 2.924806 5.384608 6.731040 6.040044 1.393953 3.508749 0.000000 4.802634 2.348590 4.027462 4.262150 5.423418 6.140590 4.683436 3.639203 6.610646 7.139038 6.672038 1.395253 4.793752 2.415918 0.000000 5.567728 4.047314 2.090150 1.319098 1.364703 4.616333 4.237892 3.489517 5.267656 5.921628 3.825372 4.415208 2.102699 4.747549 5.080335 0.000000 6.570614 4.192811 5.284443 5.783372 6.081180 7.733983 6.465506 5.112880 7.799825 8.923673 8.234335 2.814038 5.485645 2.440871 2.434037 6.199282 0.000000 5.900006 3.703910 4.492645 5.262857 5.291666 6.849888 5.744014 4.304061 6.715542 8.123049 7.376006 2.406631 4.523558 1.393859 2.775913 5.643210 1.400767 0.000000 6.072295 3.633832 5.064974 5.327539 6.119832 7.397859 5.988260 4.814888 7.725244 8.458946 7.898019 2.410477 5.576773 2.786518 1.388586 5.928600 1.404715 2.400629 0.000000 8.025410 5.676831 6.661972 7.121002 7.203272 9.188750 7.944647 6.571448 9.184929 10.396342 9.657833 4.298388 6.717769 3.801485 3.795747 7.397210 1.484373 2.513527 2.516799 0.000000 8.747107 6.494978 7.772216 8.159439 8.465154 10.153184 8.815512 7.551775 10.217855 11.254496 10.708908 5.165514 7.967384 4.890491 4.396369 8.536759 2.513103 3.706336 3.038636 1.404119 0.000000 8.889502 6.525633 7.101300 7.595467 7.257974 9.787050 8.678562 7.209918 9.657645 11.101214 10.133967 5.158696 6.889841 4.395997 4.879781 7.646151 2.513214 3.036004 3.708759 1.404210 2.409658 0.000000 10.122560 7.870989 9.048330 9.423058 9.574257 11.498562 10.185326 8.890804 11.511342 12.625068 12.025249 6.527763 9.143910 6.157132 5.771367 9.704566 3.795144 4.883260 4.398248 2.433608 1.393360 2.783430 0.000000 10.245495 7.896278 8.479232 8.939726 8.526168 11.176436 10.066922 8.602249 11.016699 12.488414 11.516324 6.522328 8.222272 5.771880 6.147797 8.931925 3.795160 4.395810 4.885561 2.433588 2.783333 1.393331 2.409388 0.000000 10.809685 8.494741 9.367612 9.777830 9.608021 11.970837 10.756939 9.363065 11.880934 13.199611 12.399855 7.116613 9.262955 6.534794 6.529855 9.887736 4.302616 5.168565 5.171007 2.818243 2.418528 2.418575 1.395178 1.395193 0.000000 2.078452 2.560129 2.763170 2.809415 4.710619 2.168905 1.096410 2.145701 3.488158 2.770671 2.699400 3.920074 4.032930 4.854418 4.675479 4.052770 6.714519 6.180702 6.040565 8.193421 9.000662 8.986513 10.379080 10.366917 11.005313 0.000000 2.633237 2.084629 2.052896 3.317929 3.881085 2.878357 2.167330 1.089779 2.715747 4.206375 3.670179 2.692781 2.605914 2.687769 4.057264 4.125979 5.086683 4.052010 5.058875 6.486253 7.521225 7.028507 8.820118 8.403572 9.216857 3.050824 0.000000 3.543103 4.193124 3.134304 4.242064 4.239330 2.195261 2.894184 2.831409 1.094034 3.481386 2.746378 4.962128 3.163413 4.808878 6.313441 4.722973 7.242521 6.075738 7.316241 8.572809 9.693720 8.919074 10.942576 10.262261 11.205599 3.832269 2.298761 0.000000 2.661240 4.320670 4.172590 5.224188 5.763300 2.188150 2.763277 3.254748 1.093178 2.813944 3.482488 5.238597 4.604034 5.267194 6.514921 6.016439 7.644486 6.564773 7.593318 9.010025 9.961939 9.555682 11.252254 10.893619 11.682786 3.796581 2.730922 1.774102 0.000000 3.921025 5.418293 4.532353 5.390695 5.632429 2.169468 3.499647 4.113627 1.093994 2.696161 2.783630 6.404203 4.729613 6.422704 7.695184 5.933099 8.850960 7.729840 8.806919 10.217358 11.275270 10.633173 12.554401 11.980631 12.883730 4.314772 3.777975 1.761635 1.768267 0.000000 2.460461 4.943778 5.141669 5.664849 6.937742 2.197758 2.793493 4.194391 2.743909 1.090804 3.460308 6.218395 6.020017 6.778291 7.196509 6.689588 8.940774 8.145278 8.490268 10.397653 11.179904 11.166788 12.548292 12.536226 13.180637 3.226192 4.327398 3.790484 2.603154 2.979934 0.000000 3.790766 5.807786 5.278547 5.639389 6.642312 2.170299 3.456325 4.774611 2.777240 1.093870 2.666751 7.093672 5.951402 7.577994 8.137690 6.420077 9.841309 8.968914 9.440553 11.303569 12.215106 11.935794 13.574015 13.323010 14.092596 3.733244 4.960065 3.745971 3.221096 2.509617 1.768806 0.000000 3.020263 4.913973 4.813654 4.908549 6.451518 2.189799 2.702299 4.213387 3.477614 1.095083 2.766899 6.286889 5.812669 7.062463 7.112080 5.913328 9.100312 8.440992 8.479233 10.584527 11.379030 11.360252 12.764282 12.747487 13.402571 2.527636 4.730218 4.344213 3.798691 3.729931 1.769630 1.769612 0.000000 4.018863 4.539144 3.291561 3.043789 4.267089 2.191069 2.756519 3.557906 3.482124 2.780016 1.093470 5.730869 4.030408 6.363442 6.609289 3.673344 8.379990 7.677328 7.880630 9.811958 10.801196 10.357382 12.129921 11.736743 12.564201 2.442807 4.228950 3.749287 4.340166 3.800378 3.804753 3.066120 2.611393 0.000000 4.551719 5.529025 4.090786 4.286594 4.794755 2.161312 3.491507 4.269044 2.784191 2.646974 1.094007 6.661479 4.429282 7.006592 7.750982 4.668146 9.255688 8.337585 8.967422 10.666732 11.742678 11.093513 13.049783 12.468923 13.389477 3.673439 4.540350 3.118134 3.793954 2.602137 3.648437 2.357156 3.027480 1.767724 0.000000 4.247537 4.366077 2.494446 2.782833 3.070122 2.208848 2.920911 3.076231 2.752386 3.466021 1.090019 5.310492 2.705430 5.564991 6.412289 3.051258 7.741364 6.830010 7.532619 9.109728 10.243127 9.462549 11.514510 10.826168 11.785254 3.157342 3.402656 2.528047 3.763261 3.101407 4.344496 3.657985 3.804435 1.769281 1.756094 0.000000 0.965912 2.232135 3.861724 4.429224 6.048674 3.259990 1.959231 2.499654 3.877444 3.620746 4.486418 3.361028 5.020739 4.232263 4.091436 5.684102 5.976484 5.471318 5.360115 7.417174 8.036354 8.383484 9.418997 9.716524 10.187075 2.308729 2.869440 4.276599 3.508883 4.845531 3.327522 4.690779 3.704680 4.586830 5.349751 4.863638 0.000000 4.963708 3.830994 2.135891 3.241484 2.152761 4.167345 4.021925 2.845372 3.814570 5.706742 4.077409 3.920052 1.078655 3.390586 5.154917 3.161305 5.500329 4.342803 5.820126 6.665837 7.958253 6.737647 9.091966 8.045223 9.136855 4.632042 2.485395 2.824381 4.318823 4.519494 6.152916 6.150525 6.237973 4.703809 4.769862 3.190154 5.249870 0.000000 4.371715 2.749687 3.053174 4.210872 4.191528 4.958304 4.109857 2.685661 4.630988 6.292591 5.561394 2.165243 3.060589 1.081668 3.405717 4.701173 3.409229 2.140307 3.867855 4.653289 5.799304 5.050581 7.004936 6.398402 7.267994 4.795616 2.092214 3.957125 4.521571 5.616575 6.342932 7.044962 6.771785 6.054097 6.439300 5.043563 4.247505 2.665521 0.000000 4.749675 2.533599 4.321726 4.292865 5.822747 6.170683 4.652455 3.902702 6.864798 7.004653 6.675610 2.141974 5.285873 3.390989 1.083824 5.234392 3.419754 3.859554 2.157317 4.672420 5.083105 5.809913 6.431919 7.020800 7.293961 4.416104 4.531545 6.706539 6.797286 7.933321 7.078684 8.036709 6.817298 6.452334 7.762733 6.546965 3.962916 5.794079 4.295385 0.000000 6.438527 4.911136 3.131814 2.100023 2.156005 5.435672 5.093034 4.478699 6.203662 6.623392 4.475668 5.251755 3.143635 5.663436 5.721720 1.079405 6.862234 6.453573 6.509480 7.978909 9.074531 8.194831 10.193862 9.420262 10.356266 4.736592 5.181579 5.710500 6.996960 6.800927 7.458795 7.072199 6.487487 4.128868 5.228494 3.776214 6.522644 4.173739 5.708265 5.760233 0.000000 6.584190 4.584250 5.084901 5.965624 5.626232 7.381335 6.428038 4.965075 7.041045 8.703521 7.891891 3.380966 4.860686 2.135504 3.859737 6.198249 2.155249 1.084072 3.389513 2.727318 3.980536 2.798917 4.948589 4.058555 4.986831 6.972658 4.521111 6.303874 6.873844 7.990975 8.711598 9.479921 9.123915 8.303127 8.785316 7.270868 6.250543 4.468534 2.437880 4.943344 7.027591 0.000000 6.868306 4.483220 5.956516 6.047340 6.944426 8.272198 6.815469 5.740355 8.699809 9.260535 8.740035 3.385967 6.514457 3.870318 2.135063 6.631714 2.159554 3.389367 1.084076 2.732130 2.801565 3.985259 4.061314 4.953061 4.990673 6.746334 6.071436 8.332684 8.568648 9.784496 9.289706 10.267446 9.187881 8.625836 9.823914 8.408870 6.087893 6.830478 4.951780 2.471177 7.088848 4.296228 0.000000 8.350907 6.217749 7.767029 8.113602 8.700692 9.948197 8.536555 7.400374 10.105857 10.937916 10.589399 4.980855 8.140343 4.952365 4.055236 8.641065 2.722957 3.975413 2.795655 2.157167 1.084438 3.395935 2.145578 3.867593 3.396529 8.666484 7.443270 9.689107 9.795750 11.184072 10.807505 11.941112 11.001869 10.626996 11.640436 10.226478 7.567441 8.194196 5.920174 4.586898 9.186077 4.451560 2.374815 0.000000 8.621737 6.274451 6.516549 7.057471 6.457460 9.274099 8.284394 6.766688 9.079676 10.658930 9.525062 4.968296 6.136877 4.049772 4.937538 6.981316 2.723285 2.794158 3.977106 2.157345 3.395945 1.084431 3.867641 2.145490 3.396499 8.637296 6.536082 8.265506 9.058486 10.009585 10.790749 11.430691 10.967803 9.801528 10.442442 8.780407 8.217495 5.931499 4.547104 5.919986 7.548139 2.375903 4.455724 4.298087 0.000000 10.754181 8.579223 9.911964 10.249320 10.536444 12.266782 10.903642 9.679338 12.323026 13.323481 12.845952 7.277885 10.091104 7.019976 6.414241 10.594883 4.659660 5.804524 5.066960 3.411674 2.147758 3.868228 1.084834 3.394968 2.154144 11.059530 9.641085 11.809941 12.017121 13.379705 13.200167 14.302613 13.422490 12.913329 13.884237 12.387766 9.997951 10.065587 7.897366 6.961699 11.063879 5.926928 4.570942 2.462963 4.952468 0.000000 10.961722 8.620391 8.968773 9.442345 8.782836 11.724970 10.706295 9.203165 11.491519 13.093046 11.985171 7.269133 8.560186 6.411802 7.008266 9.300254 4.659658 5.064888 5.806427 3.411633 3.868129 2.147650 3.394982 1.084840 2.154190 11.038202 8.955384 10.668414 11.416778 12.409436 13.181958 13.876798 13.394106 12.246605 12.897259 11.225894 10.494916 8.327538 6.922367 7.908431 9.758987 4.569565 5.931236 4.952423 2.462719 4.295305 0.000000 11.885442 9.579189 10.424667 10.821944 10.587815 13.045582 11.839929 10.441147 12.932329 14.279955 13.463402 8.201133 10.280366 7.603184 7.598393 10.888699 5.387141 6.228625 6.230903 3.902768 3.402134 3.402062 2.156269 2.156127 1.084525 12.088167 10.280278 12.240785 12.728100 13.925771 14.255318 15.168762 14.487041 13.630468 14.446980 12.831101 11.259432 10.136109 8.309741 8.337043 11.325022 5.984055 5.987605 4.291672 4.291455 2.485995 2.485816 0.000000 C20H23N3O2 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5516048 0.0923688 0.0860253 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= 688 RedAO= T EigKep= 1.13D-06 NBF= 688 NBsUse= 685 1.00D-06 EigRej= 7.58D-07 NBFU= 685 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= 704 704 704 704 704 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1091.03845078097 -1091.03845078 1 1.086283775537e+03 -6.789427498913e+03 2.486552521958e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1839220472 LenY= 1838711390 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. PT1307.700S Mon Jul 12 16:45:12 2021 GINC-BECERRIL PAULAPLA 12-Jul-2021 0 Wavefunction bitertanol_RS CONF56 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1091.0384508 RMSD=4.653e-09 Dipole=-0.3586865,0.7734198,-0.3359202 Quadrupole=6.175535,-10.3960674,4.2205324,0.4130835,-2.9677083,-5.6762522 PG=C01 [X(C20H23N3O2)] 0 3.2005335338 2.1378135413 1.3106474884 0 1.117315178 0.4896322834 1.0817958657 0 2.088728147 -0.8588956853 -0.5720253935 0 2.3493436588 -1.9865473847 0.1413628495 0 1.9044185792 -2.4911884894 -2.0162691833 0 4.6741175412 0.9353656816 -0.1813761469 0 3.4180949091 0.8464381611 0.7299829903 0 2.091531876 0.4557511625 0.0448236854 0 4.4123491216 1.8136260442 -1.417103985 0 5.8092091915 1.5602565337 0.6569577532 0 5.1435164853 -0.463235615 -0.6267502922 0 -0.2263203081 0.3969700853 0.7720112797 0 1.8189333675 -1.1820570029 -1.8534775089 0 -0.7754001113 0.7294519896 -0.4653540282 0 -1.0531178351 -0.0354322822 1.8093950432 0 2.2275742056 -2.9352978108 -0.766968226 0 -3.0039748197 0.1897966995 0.3713535368 0 -2.152259195 0.6213880375 -0.6535647283 0 -2.4239387047 -0.1312370159 1.609788435 0 -4.4677477598 0.0715445104 0.1551408047 0 -5.376869402 0.429476934 1.1635714432 0 -4.9808786915 -0.4026587344 -1.0629038607 0 -6.7508632104 0.3174725251 0.960965125 0 -6.3549427144 -0.512373481 -1.2660857266 0 -7.2468912211 -0.1532370619 -0.2551396256 0 3.6110953593 0.1111002346 1.52001086 0 1.8608918736 1.1742758647 -0.7413982037 0 3.7024433345 1.3468973727 -2.1063854042 0 4.0235811257 2.7951231375 -1.1332709828 0 5.3451372323 1.9678840465 -1.9674971814 0 5.589612907 2.5916042984 0.9361571395 0 6.7378475895 1.5546158092 0.0789009521 0 5.9809821128 0.9883504906 1.5749036725 0 5.2697156881 -1.1330138037 0.2283207909 0 6.1124096737 -0.3720268642 -1.1265278867 0 4.4626801921 -0.9370423947 -1.3339355426 0 2.4541189412 2.068600634 1.9197953798 0 1.5778999027 -0.4462455436 -2.6044638129 0 -0.1585433351 1.0826076461 -1.280690417 0 -0.6069951795 -0.3038176176 2.7599835557 0 2.3736312496 -3.9773913788 -0.5265045644 0 -2.5664459283 0.90076757 -1.6156506399 0 -3.0478340205 -0.4886738276 2.4210923001 0 -5.0066928621 0.8165691332 2.1065112227 0 -4.2995655922 -0.7074865192 -1.8495946689 0 -7.4349057878 0.6064076286 1.7518298919 0 -6.7286653014 -0.8882162188 -2.212632976 0 -8.3163388735 -0.2400387403 -0.413065991 Gaussian 16 12-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C20H23N3O2)] 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/bitertanol_RS/octanol/CONF56/ #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 bitertanol_RS CONF56 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 16 16 14 14 14 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 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 2 2 2 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 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 713 A 688 A 688 1084 713 90 90 2125.6091764272 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531947921 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.666210 0.000000 3.709560 2.344631 0.000000 4.370595 2.921262 1.359574 0.000000 5.846020 4.370679 2.187279 2.260088 0.000000 2.417326 3.800674 3.171154 3.747841 4.772771 0.000000 1.432534 2.354712 2.524006 3.084560 4.579614 1.554373 0.000000 2.379397 1.423221 1.452173 2.457765 3.601051 2.636465 1.543324 0.000000 3.002370 4.342201 3.640844 4.596317 5.017982 1.538469 2.556164 3.060596 0.000000 2.750649 4.831210 4.604854 4.981599 6.229586 1.543284 2.496457 3.926291 2.513393 0.000000 3.780760 4.476314 3.080791 3.273817 4.066339 1.541032 2.555983 3.257324 2.518604 2.487081 0.000000 3.881236 1.381995 2.956870 3.565518 4.544889 5.021266 3.672268 2.429958 5.321315 6.147690 5.615304 0.000000 4.789786 3.450021 1.348830 2.215384 1.321981 3.928292 3.653270 2.521958 3.986269 5.453886 3.615856 3.683691 0.000000 4.576649 2.456330 3.276806 4.184350 4.467582 5.460795 4.362100 2.924806 5.384608 6.731040 6.040044 1.393953 3.508749 0.000000 4.802634 2.348590 4.027462 4.262150 5.423418 6.140590 4.683436 3.639203 6.610646 7.139038 6.672038 1.395253 4.793752 2.415918 0.000000 5.567728 4.047314 2.090150 1.319098 1.364703 4.616333 4.237892 3.489517 5.267656 5.921628 3.825372 4.415208 2.102699 4.747549 5.080335 0.000000 6.570614 4.192811 5.284443 5.783372 6.081180 7.733983 6.465506 5.112880 7.799825 8.923673 8.234335 2.814038 5.485645 2.440871 2.434037 6.199282 0.000000 5.900006 3.703910 4.492645 5.262857 5.291666 6.849888 5.744014 4.304061 6.715542 8.123049 7.376006 2.406631 4.523558 1.393859 2.775913 5.643210 1.400767 0.000000 6.072295 3.633832 5.064974 5.327539 6.119832 7.397859 5.988260 4.814888 7.725244 8.458946 7.898019 2.410477 5.576773 2.786518 1.388586 5.928600 1.404715 2.400629 0.000000 8.025410 5.676831 6.661972 7.121002 7.203272 9.188750 7.944647 6.571448 9.184929 10.396342 9.657833 4.298388 6.717769 3.801485 3.795747 7.397210 1.484373 2.513527 2.516799 0.000000 8.747107 6.494978 7.772216 8.159439 8.465154 10.153184 8.815512 7.551775 10.217855 11.254496 10.708908 5.165514 7.967384 4.890491 4.396369 8.536759 2.513103 3.706336 3.038636 1.404119 0.000000 8.889502 6.525633 7.101300 7.595467 7.257974 9.787050 8.678562 7.209918 9.657645 11.101214 10.133967 5.158696 6.889841 4.395997 4.879781 7.646151 2.513214 3.036004 3.708759 1.404210 2.409658 0.000000 10.122560 7.870989 9.048330 9.423058 9.574257 11.498562 10.185326 8.890804 11.511342 12.625068 12.025249 6.527763 9.143910 6.157132 5.771367 9.704566 3.795144 4.883260 4.398248 2.433608 1.393360 2.783430 0.000000 10.245495 7.896278 8.479232 8.939726 8.526168 11.176436 10.066922 8.602249 11.016699 12.488414 11.516324 6.522328 8.222272 5.771880 6.147797 8.931925 3.795160 4.395810 4.885561 2.433588 2.783333 1.393331 2.409388 0.000000 10.809685 8.494741 9.367612 9.777830 9.608021 11.970837 10.756939 9.363065 11.880934 13.199611 12.399855 7.116613 9.262955 6.534794 6.529855 9.887736 4.302616 5.168565 5.171007 2.818243 2.418528 2.418575 1.395178 1.395193 0.000000 2.078452 2.560129 2.763170 2.809415 4.710619 2.168905 1.096410 2.145701 3.488158 2.770671 2.699400 3.920074 4.032930 4.854418 4.675479 4.052770 6.714519 6.180702 6.040565 8.193421 9.000662 8.986513 10.379080 10.366917 11.005313 0.000000 2.633237 2.084629 2.052896 3.317929 3.881085 2.878357 2.167330 1.089779 2.715747 4.206375 3.670179 2.692781 2.605914 2.687769 4.057264 4.125979 5.086683 4.052010 5.058875 6.486253 7.521225 7.028507 8.820118 8.403572 9.216857 3.050824 0.000000 3.543103 4.193124 3.134304 4.242064 4.239330 2.195261 2.894184 2.831409 1.094034 3.481386 2.746378 4.962128 3.163413 4.808878 6.313441 4.722973 7.242521 6.075738 7.316241 8.572809 9.693720 8.919074 10.942576 10.262261 11.205599 3.832269 2.298761 0.000000 2.661240 4.320670 4.172590 5.224188 5.763300 2.188150 2.763277 3.254748 1.093178 2.813944 3.482488 5.238597 4.604034 5.267194 6.514921 6.016439 7.644486 6.564773 7.593318 9.010025 9.961939 9.555682 11.252254 10.893619 11.682786 3.796581 2.730922 1.774102 0.000000 3.921025 5.418293 4.532353 5.390695 5.632429 2.169468 3.499647 4.113627 1.093994 2.696161 2.783630 6.404203 4.729613 6.422704 7.695184 5.933099 8.850960 7.729840 8.806919 10.217358 11.275270 10.633173 12.554401 11.980631 12.883730 4.314772 3.777975 1.761635 1.768267 0.000000 2.460461 4.943778 5.141669 5.664849 6.937742 2.197758 2.793493 4.194391 2.743909 1.090804 3.460308 6.218395 6.020017 6.778291 7.196509 6.689588 8.940774 8.145278 8.490268 10.397653 11.179904 11.166788 12.548292 12.536226 13.180637 3.226192 4.327398 3.790484 2.603154 2.979934 0.000000 3.790766 5.807786 5.278547 5.639389 6.642312 2.170299 3.456325 4.774611 2.777240 1.093870 2.666751 7.093672 5.951402 7.577994 8.137690 6.420077 9.841309 8.968914 9.440553 11.303569 12.215106 11.935794 13.574015 13.323010 14.092596 3.733244 4.960065 3.745971 3.221096 2.509617 1.768806 0.000000 3.020263 4.913973 4.813654 4.908549 6.451518 2.189799 2.702299 4.213387 3.477614 1.095083 2.766899 6.286889 5.812669 7.062463 7.112080 5.913328 9.100312 8.440992 8.479233 10.584527 11.379030 11.360252 12.764282 12.747487 13.402571 2.527636 4.730218 4.344213 3.798691 3.729931 1.769630 1.769612 0.000000 4.018863 4.539144 3.291561 3.043789 4.267089 2.191069 2.756519 3.557906 3.482124 2.780016 1.093470 5.730869 4.030408 6.363442 6.609289 3.673344 8.379990 7.677328 7.880630 9.811958 10.801196 10.357382 12.129921 11.736743 12.564201 2.442807 4.228950 3.749287 4.340166 3.800378 3.804753 3.066120 2.611393 0.000000 4.551719 5.529025 4.090786 4.286594 4.794755 2.161312 3.491507 4.269044 2.784191 2.646974 1.094007 6.661479 4.429282 7.006592 7.750982 4.668146 9.255688 8.337585 8.967422 10.666732 11.742678 11.093513 13.049783 12.468923 13.389477 3.673439 4.540350 3.118134 3.793954 2.602137 3.648437 2.357156 3.027480 1.767724 0.000000 4.247537 4.366077 2.494446 2.782833 3.070122 2.208848 2.920911 3.076231 2.752386 3.466021 1.090019 5.310492 2.705430 5.564991 6.412289 3.051258 7.741364 6.830010 7.532619 9.109728 10.243127 9.462549 11.514510 10.826168 11.785254 3.157342 3.402656 2.528047 3.763261 3.101407 4.344496 3.657985 3.804435 1.769281 1.756094 0.000000 0.965912 2.232135 3.861724 4.429224 6.048674 3.259990 1.959231 2.499654 3.877444 3.620746 4.486418 3.361028 5.020739 4.232263 4.091436 5.684102 5.976484 5.471318 5.360115 7.417174 8.036354 8.383484 9.418997 9.716524 10.187075 2.308729 2.869440 4.276599 3.508883 4.845531 3.327522 4.690779 3.704680 4.586830 5.349751 4.863638 0.000000 4.963708 3.830994 2.135891 3.241484 2.152761 4.167345 4.021925 2.845372 3.814570 5.706742 4.077409 3.920052 1.078655 3.390586 5.154917 3.161305 5.500329 4.342803 5.820126 6.665837 7.958253 6.737647 9.091966 8.045223 9.136855 4.632042 2.485395 2.824381 4.318823 4.519494 6.152916 6.150525 6.237973 4.703809 4.769862 3.190154 5.249870 0.000000 4.371715 2.749687 3.053174 4.210872 4.191528 4.958304 4.109857 2.685661 4.630988 6.292591 5.561394 2.165243 3.060589 1.081668 3.405717 4.701173 3.409229 2.140307 3.867855 4.653289 5.799304 5.050581 7.004936 6.398402 7.267994 4.795616 2.092214 3.957125 4.521571 5.616575 6.342932 7.044962 6.771785 6.054097 6.439300 5.043563 4.247505 2.665521 0.000000 4.749675 2.533599 4.321726 4.292865 5.822747 6.170683 4.652455 3.902702 6.864798 7.004653 6.675610 2.141974 5.285873 3.390989 1.083824 5.234392 3.419754 3.859554 2.157317 4.672420 5.083105 5.809913 6.431919 7.020800 7.293961 4.416104 4.531545 6.706539 6.797286 7.933321 7.078684 8.036709 6.817298 6.452334 7.762733 6.546965 3.962916 5.794079 4.295385 0.000000 6.438527 4.911136 3.131814 2.100023 2.156005 5.435672 5.093034 4.478699 6.203662 6.623392 4.475668 5.251755 3.143635 5.663436 5.721720 1.079405 6.862234 6.453573 6.509480 7.978909 9.074531 8.194831 10.193862 9.420262 10.356266 4.736592 5.181579 5.710500 6.996960 6.800927 7.458795 7.072199 6.487487 4.128868 5.228494 3.776214 6.522644 4.173739 5.708265 5.760233 0.000000 6.584190 4.584250 5.084901 5.965624 5.626232 7.381335 6.428038 4.965075 7.041045 8.703521 7.891891 3.380966 4.860686 2.135504 3.859737 6.198249 2.155249 1.084072 3.389513 2.727318 3.980536 2.798917 4.948589 4.058555 4.986831 6.972658 4.521111 6.303874 6.873844 7.990975 8.711598 9.479921 9.123915 8.303127 8.785316 7.270868 6.250543 4.468534 2.437880 4.943344 7.027591 0.000000 6.868306 4.483220 5.956516 6.047340 6.944426 8.272198 6.815469 5.740355 8.699809 9.260535 8.740035 3.385967 6.514457 3.870318 2.135063 6.631714 2.159554 3.389367 1.084076 2.732130 2.801565 3.985259 4.061314 4.953061 4.990673 6.746334 6.071436 8.332684 8.568648 9.784496 9.289706 10.267446 9.187881 8.625836 9.823914 8.408870 6.087893 6.830478 4.951780 2.471177 7.088848 4.296228 0.000000 8.350907 6.217749 7.767029 8.113602 8.700692 9.948197 8.536555 7.400374 10.105857 10.937916 10.589399 4.980855 8.140343 4.952365 4.055236 8.641065 2.722957 3.975413 2.795655 2.157167 1.084438 3.395935 2.145578 3.867593 3.396529 8.666484 7.443270 9.689107 9.795750 11.184072 10.807505 11.941112 11.001869 10.626996 11.640436 10.226478 7.567441 8.194196 5.920174 4.586898 9.186077 4.451560 2.374815 0.000000 8.621737 6.274451 6.516549 7.057471 6.457460 9.274099 8.284394 6.766688 9.079676 10.658930 9.525062 4.968296 6.136877 4.049772 4.937538 6.981316 2.723285 2.794158 3.977106 2.157345 3.395945 1.084431 3.867641 2.145490 3.396499 8.637296 6.536082 8.265506 9.058486 10.009585 10.790749 11.430691 10.967803 9.801528 10.442442 8.780407 8.217495 5.931499 4.547104 5.919986 7.548139 2.375903 4.455724 4.298087 0.000000 10.754181 8.579223 9.911964 10.249320 10.536444 12.266782 10.903642 9.679338 12.323026 13.323481 12.845952 7.277885 10.091104 7.019976 6.414241 10.594883 4.659660 5.804524 5.066960 3.411674 2.147758 3.868228 1.084834 3.394968 2.154144 11.059530 9.641085 11.809941 12.017121 13.379705 13.200167 14.302613 13.422490 12.913329 13.884237 12.387766 9.997951 10.065587 7.897366 6.961699 11.063879 5.926928 4.570942 2.462963 4.952468 0.000000 10.961722 8.620391 8.968773 9.442345 8.782836 11.724970 10.706295 9.203165 11.491519 13.093046 11.985171 7.269133 8.560186 6.411802 7.008266 9.300254 4.659658 5.064888 5.806427 3.411633 3.868129 2.147650 3.394982 1.084840 2.154190 11.038202 8.955384 10.668414 11.416778 12.409436 13.181958 13.876798 13.394106 12.246605 12.897259 11.225894 10.494916 8.327538 6.922367 7.908431 9.758987 4.569565 5.931236 4.952423 2.462719 4.295305 0.000000 11.885442 9.579189 10.424667 10.821944 10.587815 13.045582 11.839929 10.441147 12.932329 14.279955 13.463402 8.201133 10.280366 7.603184 7.598393 10.888699 5.387141 6.228625 6.230903 3.902768 3.402134 3.402062 2.156269 2.156127 1.084525 12.088167 10.280278 12.240785 12.728100 13.925771 14.255318 15.168762 14.487041 13.630468 14.446980 12.831101 11.259432 10.136109 8.309741 8.337043 11.325022 5.984055 5.987605 4.291672 4.291455 2.485995 2.485816 0.000000 C20H23N3O2 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5516048 0.0923688 0.0860253 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= 688 RedAO= T EigKep= 1.13D-06 NBF= 688 NBsUse= 685 1.00D-06 EigRej= 7.58D-07 NBFU= 685 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= 704 704 704 704 704 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1091.03845078097 -1091.03845078 1 1.086283775537e+03 -6.789427498913e+03 2.486552521958e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1839220472 LenY= 1838711390 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 4.6002 269.52 0.7558 0.000 90 91 0.69960 -1090.86939601 2 Singlet-A 4.7073 263.39 0.0099 0.000 88 91 0.24447 89 91 0.10117 90 92 0.64051 3 Singlet-A 4.8565 255.29 0.0059 0.000 88 91 0.12802 89 91 -0.33613 90 93 0.17964 90 94 0.56599 4 Singlet-A 5.0132 247.32 0.0038 0.000 90 93 0.66684 90 94 -0.19657 5 Singlet-A 5.4676 226.76 0.0506 0.000 87 94 -0.20165 89 91 0.52666 90 92 -0.11047 90 94 0.29869 90 95 -0.19828 6 Singlet-A 5.5749 222.40 0.0046 0.000 88 91 0.23572 89 91 0.13782 90 92 -0.10935 90 95 0.59179 90 97 0.16854 7 Singlet-A 5.6411 219.79 0.0968 0.000 87 92 -0.20867 88 91 0.53533 90 92 -0.19436 90 94 -0.17537 90 95 -0.22722 90 96 -0.10308 8 Singlet-A 5.6896 217.91 0.0155 0.000 87 91 0.48477 90 96 0.41967 90 97 0.19815 9 Singlet-A 5.7953 213.94 0.0105 0.000 89 92 0.67395 90 96 0.14128 10 Singlet-A 5.8605 211.56 0.0101 0.000 87 91 -0.35184 88 92 -0.24887 89 92 -0.13316 89 94 -0.26003 90 96 0.43402 90 99 0.10345 PT77664.200S Mon Jul 12 19:27:38 2021 GINC-BECERRIL PAULAPLA 12-Jul-2021 0 Electronic spectrum bitertanol_RS CONF56 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1091.0384508 RMSD=4.091e-09 PG=C01 [X(C20H23N3O2)] 0 3.2005335338 2.1378135413 1.3106474884 0 1.117315178 0.4896322834 1.0817958657 0 2.088728147 -0.8588956853 -0.5720253935 0 2.3493436588 -1.9865473847 0.1413628495 0 1.9044185792 -2.4911884894 -2.0162691833 0 4.6741175412 0.9353656816 -0.1813761469 0 3.4180949091 0.8464381611 0.7299829903 0 2.091531876 0.4557511625 0.0448236854 0 4.4123491216 1.8136260442 -1.417103985 0 5.8092091915 1.5602565337 0.6569577532 0 5.1435164853 -0.463235615 -0.6267502922 0 -0.2263203081 0.3969700853 0.7720112797 0 1.8189333675 -1.1820570029 -1.8534775089 0 -0.7754001113 0.7294519896 -0.4653540282 0 -1.0531178351 -0.0354322822 1.8093950432 0 2.2275742056 -2.9352978108 -0.766968226 0 -3.0039748197 0.1897966995 0.3713535368 0 -2.152259195 0.6213880375 -0.6535647283 0 -2.4239387047 -0.1312370159 1.609788435 0 -4.4677477598 0.0715445104 0.1551408047 0 -5.376869402 0.429476934 1.1635714432 0 -4.9808786915 -0.4026587344 -1.0629038607 0 -6.7508632104 0.3174725251 0.960965125 0 -6.3549427144 -0.512373481 -1.2660857266 0 -7.2468912211 -0.1532370619 -0.2551396256 0 3.6110953593 0.1111002346 1.52001086 0 1.8608918736 1.1742758647 -0.7413982037 0 3.7024433345 1.3468973727 -2.1063854042 0 4.0235811257 2.7951231375 -1.1332709828 0 5.3451372323 1.9678840465 -1.9674971814 0 5.589612907 2.5916042984 0.9361571395 0 6.7378475895 1.5546158092 0.0789009521 0 5.9809821128 0.9883504906 1.5749036725 0 5.2697156881 -1.1330138037 0.2283207909 0 6.1124096737 -0.3720268642 -1.1265278867 0 4.4626801921 -0.9370423947 -1.3339355426 0 2.4541189412 2.068600634 1.9197953798 0 1.5778999027 -0.4462455436 -2.6044638129 0 -0.1585433351 1.0826076461 -1.280690417 0 -0.6069951795 -0.3038176176 2.7599835557 0 2.3736312496 -3.9773913788 -0.5265045644 0 -2.5664459283 0.90076757 -1.6156506399 0 -3.0478340205 -0.4886738276 2.4210923001 0 -5.0066928621 0.8165691332 2.1065112227 0 -4.2995655922 -0.7074865192 -1.8495946689 0 -7.4349057878 0.6064076286 1.7518298919 0 -6.7286653014 -0.8882162188 -2.212632976 0 -8.3163388735 -0.2400387403 -0.413065991 Gaussian 16 12-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C20H23N3O2)] 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/bitertanol_RS/octanol/CONF56/ #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 bitertanol_RS CONF56 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 16 16 14 14 14 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 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 2 2 2 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 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 1332 A 1182 A 1182 1703 1332 90 90 2125.6091764272 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531947921 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.666210 0.000000 3.709560 2.344631 0.000000 4.370595 2.921262 1.359574 0.000000 5.846020 4.370679 2.187279 2.260088 0.000000 2.417326 3.800674 3.171154 3.747841 4.772771 0.000000 1.432534 2.354712 2.524006 3.084560 4.579614 1.554373 0.000000 2.379397 1.423221 1.452173 2.457765 3.601051 2.636465 1.543324 0.000000 3.002370 4.342201 3.640844 4.596317 5.017982 1.538469 2.556164 3.060596 0.000000 2.750649 4.831210 4.604854 4.981599 6.229586 1.543284 2.496457 3.926291 2.513393 0.000000 3.780760 4.476314 3.080791 3.273817 4.066339 1.541032 2.555983 3.257324 2.518604 2.487081 0.000000 3.881236 1.381995 2.956870 3.565518 4.544889 5.021266 3.672268 2.429958 5.321315 6.147690 5.615304 0.000000 4.789786 3.450021 1.348830 2.215384 1.321981 3.928292 3.653270 2.521958 3.986269 5.453886 3.615856 3.683691 0.000000 4.576649 2.456330 3.276806 4.184350 4.467582 5.460795 4.362100 2.924806 5.384608 6.731040 6.040044 1.393953 3.508749 0.000000 4.802634 2.348590 4.027462 4.262150 5.423418 6.140590 4.683436 3.639203 6.610646 7.139038 6.672038 1.395253 4.793752 2.415918 0.000000 5.567728 4.047314 2.090150 1.319098 1.364703 4.616333 4.237892 3.489517 5.267656 5.921628 3.825372 4.415208 2.102699 4.747549 5.080335 0.000000 6.570614 4.192811 5.284443 5.783372 6.081180 7.733983 6.465506 5.112880 7.799825 8.923673 8.234335 2.814038 5.485645 2.440871 2.434037 6.199282 0.000000 5.900006 3.703910 4.492645 5.262857 5.291666 6.849888 5.744014 4.304061 6.715542 8.123049 7.376006 2.406631 4.523558 1.393859 2.775913 5.643210 1.400767 0.000000 6.072295 3.633832 5.064974 5.327539 6.119832 7.397859 5.988260 4.814888 7.725244 8.458946 7.898019 2.410477 5.576773 2.786518 1.388586 5.928600 1.404715 2.400629 0.000000 8.025410 5.676831 6.661972 7.121002 7.203272 9.188750 7.944647 6.571448 9.184929 10.396342 9.657833 4.298388 6.717769 3.801485 3.795747 7.397210 1.484373 2.513527 2.516799 0.000000 8.747107 6.494978 7.772216 8.159439 8.465154 10.153184 8.815512 7.551775 10.217855 11.254496 10.708908 5.165514 7.967384 4.890491 4.396369 8.536759 2.513103 3.706336 3.038636 1.404119 0.000000 8.889502 6.525633 7.101300 7.595467 7.257974 9.787050 8.678562 7.209918 9.657645 11.101214 10.133967 5.158696 6.889841 4.395997 4.879781 7.646151 2.513214 3.036004 3.708759 1.404210 2.409658 0.000000 10.122560 7.870989 9.048330 9.423058 9.574257 11.498562 10.185326 8.890804 11.511342 12.625068 12.025249 6.527763 9.143910 6.157132 5.771367 9.704566 3.795144 4.883260 4.398248 2.433608 1.393360 2.783430 0.000000 10.245495 7.896278 8.479232 8.939726 8.526168 11.176436 10.066922 8.602249 11.016699 12.488414 11.516324 6.522328 8.222272 5.771880 6.147797 8.931925 3.795160 4.395810 4.885561 2.433588 2.783333 1.393331 2.409388 0.000000 10.809685 8.494741 9.367612 9.777830 9.608021 11.970837 10.756939 9.363065 11.880934 13.199611 12.399855 7.116613 9.262955 6.534794 6.529855 9.887736 4.302616 5.168565 5.171007 2.818243 2.418528 2.418575 1.395178 1.395193 0.000000 2.078452 2.560129 2.763170 2.809415 4.710619 2.168905 1.096410 2.145701 3.488158 2.770671 2.699400 3.920074 4.032930 4.854418 4.675479 4.052770 6.714519 6.180702 6.040565 8.193421 9.000662 8.986513 10.379080 10.366917 11.005313 0.000000 2.633237 2.084629 2.052896 3.317929 3.881085 2.878357 2.167330 1.089779 2.715747 4.206375 3.670179 2.692781 2.605914 2.687769 4.057264 4.125979 5.086683 4.052010 5.058875 6.486253 7.521225 7.028507 8.820118 8.403572 9.216857 3.050824 0.000000 3.543103 4.193124 3.134304 4.242064 4.239330 2.195261 2.894184 2.831409 1.094034 3.481386 2.746378 4.962128 3.163413 4.808878 6.313441 4.722973 7.242521 6.075738 7.316241 8.572809 9.693720 8.919074 10.942576 10.262261 11.205599 3.832269 2.298761 0.000000 2.661240 4.320670 4.172590 5.224188 5.763300 2.188150 2.763277 3.254748 1.093178 2.813944 3.482488 5.238597 4.604034 5.267194 6.514921 6.016439 7.644486 6.564773 7.593318 9.010025 9.961939 9.555682 11.252254 10.893619 11.682786 3.796581 2.730922 1.774102 0.000000 3.921025 5.418293 4.532353 5.390695 5.632429 2.169468 3.499647 4.113627 1.093994 2.696161 2.783630 6.404203 4.729613 6.422704 7.695184 5.933099 8.850960 7.729840 8.806919 10.217358 11.275270 10.633173 12.554401 11.980631 12.883730 4.314772 3.777975 1.761635 1.768267 0.000000 2.460461 4.943778 5.141669 5.664849 6.937742 2.197758 2.793493 4.194391 2.743909 1.090804 3.460308 6.218395 6.020017 6.778291 7.196509 6.689588 8.940774 8.145278 8.490268 10.397653 11.179904 11.166788 12.548292 12.536226 13.180637 3.226192 4.327398 3.790484 2.603154 2.979934 0.000000 3.790766 5.807786 5.278547 5.639389 6.642312 2.170299 3.456325 4.774611 2.777240 1.093870 2.666751 7.093672 5.951402 7.577994 8.137690 6.420077 9.841309 8.968914 9.440553 11.303569 12.215106 11.935794 13.574015 13.323010 14.092596 3.733244 4.960065 3.745971 3.221096 2.509617 1.768806 0.000000 3.020263 4.913973 4.813654 4.908549 6.451518 2.189799 2.702299 4.213387 3.477614 1.095083 2.766899 6.286889 5.812669 7.062463 7.112080 5.913328 9.100312 8.440992 8.479233 10.584527 11.379030 11.360252 12.764282 12.747487 13.402571 2.527636 4.730218 4.344213 3.798691 3.729931 1.769630 1.769612 0.000000 4.018863 4.539144 3.291561 3.043789 4.267089 2.191069 2.756519 3.557906 3.482124 2.780016 1.093470 5.730869 4.030408 6.363442 6.609289 3.673344 8.379990 7.677328 7.880630 9.811958 10.801196 10.357382 12.129921 11.736743 12.564201 2.442807 4.228950 3.749287 4.340166 3.800378 3.804753 3.066120 2.611393 0.000000 4.551719 5.529025 4.090786 4.286594 4.794755 2.161312 3.491507 4.269044 2.784191 2.646974 1.094007 6.661479 4.429282 7.006592 7.750982 4.668146 9.255688 8.337585 8.967422 10.666732 11.742678 11.093513 13.049783 12.468923 13.389477 3.673439 4.540350 3.118134 3.793954 2.602137 3.648437 2.357156 3.027480 1.767724 0.000000 4.247537 4.366077 2.494446 2.782833 3.070122 2.208848 2.920911 3.076231 2.752386 3.466021 1.090019 5.310492 2.705430 5.564991 6.412289 3.051258 7.741364 6.830010 7.532619 9.109728 10.243127 9.462549 11.514510 10.826168 11.785254 3.157342 3.402656 2.528047 3.763261 3.101407 4.344496 3.657985 3.804435 1.769281 1.756094 0.000000 0.965912 2.232135 3.861724 4.429224 6.048674 3.259990 1.959231 2.499654 3.877444 3.620746 4.486418 3.361028 5.020739 4.232263 4.091436 5.684102 5.976484 5.471318 5.360115 7.417174 8.036354 8.383484 9.418997 9.716524 10.187075 2.308729 2.869440 4.276599 3.508883 4.845531 3.327522 4.690779 3.704680 4.586830 5.349751 4.863638 0.000000 4.963708 3.830994 2.135891 3.241484 2.152761 4.167345 4.021925 2.845372 3.814570 5.706742 4.077409 3.920052 1.078655 3.390586 5.154917 3.161305 5.500329 4.342803 5.820126 6.665837 7.958253 6.737647 9.091966 8.045223 9.136855 4.632042 2.485395 2.824381 4.318823 4.519494 6.152916 6.150525 6.237973 4.703809 4.769862 3.190154 5.249870 0.000000 4.371715 2.749687 3.053174 4.210872 4.191528 4.958304 4.109857 2.685661 4.630988 6.292591 5.561394 2.165243 3.060589 1.081668 3.405717 4.701173 3.409229 2.140307 3.867855 4.653289 5.799304 5.050581 7.004936 6.398402 7.267994 4.795616 2.092214 3.957125 4.521571 5.616575 6.342932 7.044962 6.771785 6.054097 6.439300 5.043563 4.247505 2.665521 0.000000 4.749675 2.533599 4.321726 4.292865 5.822747 6.170683 4.652455 3.902702 6.864798 7.004653 6.675610 2.141974 5.285873 3.390989 1.083824 5.234392 3.419754 3.859554 2.157317 4.672420 5.083105 5.809913 6.431919 7.020800 7.293961 4.416104 4.531545 6.706539 6.797286 7.933321 7.078684 8.036709 6.817298 6.452334 7.762733 6.546965 3.962916 5.794079 4.295385 0.000000 6.438527 4.911136 3.131814 2.100023 2.156005 5.435672 5.093034 4.478699 6.203662 6.623392 4.475668 5.251755 3.143635 5.663436 5.721720 1.079405 6.862234 6.453573 6.509480 7.978909 9.074531 8.194831 10.193862 9.420262 10.356266 4.736592 5.181579 5.710500 6.996960 6.800927 7.458795 7.072199 6.487487 4.128868 5.228494 3.776214 6.522644 4.173739 5.708265 5.760233 0.000000 6.584190 4.584250 5.084901 5.965624 5.626232 7.381335 6.428038 4.965075 7.041045 8.703521 7.891891 3.380966 4.860686 2.135504 3.859737 6.198249 2.155249 1.084072 3.389513 2.727318 3.980536 2.798917 4.948589 4.058555 4.986831 6.972658 4.521111 6.303874 6.873844 7.990975 8.711598 9.479921 9.123915 8.303127 8.785316 7.270868 6.250543 4.468534 2.437880 4.943344 7.027591 0.000000 6.868306 4.483220 5.956516 6.047340 6.944426 8.272198 6.815469 5.740355 8.699809 9.260535 8.740035 3.385967 6.514457 3.870318 2.135063 6.631714 2.159554 3.389367 1.084076 2.732130 2.801565 3.985259 4.061314 4.953061 4.990673 6.746334 6.071436 8.332684 8.568648 9.784496 9.289706 10.267446 9.187881 8.625836 9.823914 8.408870 6.087893 6.830478 4.951780 2.471177 7.088848 4.296228 0.000000 8.350907 6.217749 7.767029 8.113602 8.700692 9.948197 8.536555 7.400374 10.105857 10.937916 10.589399 4.980855 8.140343 4.952365 4.055236 8.641065 2.722957 3.975413 2.795655 2.157167 1.084438 3.395935 2.145578 3.867593 3.396529 8.666484 7.443270 9.689107 9.795750 11.184072 10.807505 11.941112 11.001869 10.626996 11.640436 10.226478 7.567441 8.194196 5.920174 4.586898 9.186077 4.451560 2.374815 0.000000 8.621737 6.274451 6.516549 7.057471 6.457460 9.274099 8.284394 6.766688 9.079676 10.658930 9.525062 4.968296 6.136877 4.049772 4.937538 6.981316 2.723285 2.794158 3.977106 2.157345 3.395945 1.084431 3.867641 2.145490 3.396499 8.637296 6.536082 8.265506 9.058486 10.009585 10.790749 11.430691 10.967803 9.801528 10.442442 8.780407 8.217495 5.931499 4.547104 5.919986 7.548139 2.375903 4.455724 4.298087 0.000000 10.754181 8.579223 9.911964 10.249320 10.536444 12.266782 10.903642 9.679338 12.323026 13.323481 12.845952 7.277885 10.091104 7.019976 6.414241 10.594883 4.659660 5.804524 5.066960 3.411674 2.147758 3.868228 1.084834 3.394968 2.154144 11.059530 9.641085 11.809941 12.017121 13.379705 13.200167 14.302613 13.422490 12.913329 13.884237 12.387766 9.997951 10.065587 7.897366 6.961699 11.063879 5.926928 4.570942 2.462963 4.952468 0.000000 10.961722 8.620391 8.968773 9.442345 8.782836 11.724970 10.706295 9.203165 11.491519 13.093046 11.985171 7.269133 8.560186 6.411802 7.008266 9.300254 4.659658 5.064888 5.806427 3.411633 3.868129 2.147650 3.394982 1.084840 2.154190 11.038202 8.955384 10.668414 11.416778 12.409436 13.181958 13.876798 13.394106 12.246605 12.897259 11.225894 10.494916 8.327538 6.922367 7.908431 9.758987 4.569565 5.931236 4.952423 2.462719 4.295305 0.000000 11.885442 9.579189 10.424667 10.821944 10.587815 13.045582 11.839929 10.441147 12.932329 14.279955 13.463402 8.201133 10.280366 7.603184 7.598393 10.888699 5.387141 6.228625 6.230903 3.902768 3.402134 3.402062 2.156269 2.156127 1.084525 12.088167 10.280278 12.240785 12.728100 13.925771 14.255318 15.168762 14.487041 13.630468 14.446980 12.831101 11.259432 10.136109 8.309741 8.337043 11.325022 5.984055 5.987605 4.291672 4.291455 2.485995 2.485816 0.000000 C20H23N3O2 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 0 314.2328999999998 AuxInfo=1/0/N:9,10,11,25,23,24,21,22,18,19,14,15,16,13,20,17,12,7,8,6,5,4,3,1,2/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,21.2,22.2/rA:48OONN2N2CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s1s6;s2s3s7;s6;s6;s6;s2;s3s5;s12;s12;s4s5;;s14s17;s15s17;s17;s20;s20;s21;s22;s23s24;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s1;s13;s14;s15;s16;s18;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5516048 0.0923688 0.0860253 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= 1182 RedAO= T EigKep= 1.34D-06 NBF= 1182 NBsUse= 1177 1.00D-06 EigRej= 9.11D-07 NBFU= 1177 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= 1283 1283 1283 1283 1283 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1091.04500097338 -1091.11156685208 -0.066565878695 -1091.11160870316 -0.000041851088 -1091.11183946339 -0.000230760224 -1091.11186559654 -0.000026133149 -1091.11187067240 -0.000005075869 -1091.11187089698 -0.000000224577 -1091.11187093832 -0.000000041341 -1091.11187093976 -0.000000001434 -1091.11187094011 -0.000000000350 -1091.11187094004 0.000000000070 -1091.11187094 11 1.085941144935e+03 -6.789492113650e+03 2.486886347138e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1836679504 LenY= 1834903948 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. PT54580.400S Mon Jul 12 21:21:54 2021 GINC-BECERRIL PAULAPLA 12-Jul-2021 0 Single Point bitertanol_RS CONF56 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1091.1118709 RMSD=6.136e-09 Dipole=-0.3193295,0.7892101,-0.3033132 Quadrupole=5.7978716,-9.9582862,4.1604146,0.5660686,-2.8105715,-5.5502979 PG=C01 [X(C20H23N3O2)] 0 3.2005335338 2.1378135413 1.3106474884 0 1.117315178 0.4896322834 1.0817958657 0 2.088728147 -0.8588956853 -0.5720253935 0 2.3493436588 -1.9865473847 0.1413628495 0 1.9044185792 -2.4911884894 -2.0162691833 0 4.6741175412 0.9353656816 -0.1813761469 0 3.4180949091 0.8464381611 0.7299829903 0 2.091531876 0.4557511625 0.0448236854 0 4.4123491216 1.8136260442 -1.417103985 0 5.8092091915 1.5602565337 0.6569577532 0 5.1435164853 -0.463235615 -0.6267502922 0 -0.2263203081 0.3969700853 0.7720112797 0 1.8189333675 -1.1820570029 -1.8534775089 0 -0.7754001113 0.7294519896 -0.4653540282 0 -1.0531178351 -0.0354322822 1.8093950432 0 2.2275742056 -2.9352978108 -0.766968226 0 -3.0039748197 0.1897966995 0.3713535368 0 -2.152259195 0.6213880375 -0.6535647283 0 -2.4239387047 -0.1312370159 1.609788435 0 -4.4677477598 0.0715445104 0.1551408047 0 -5.376869402 0.429476934 1.1635714432 0 -4.9808786915 -0.4026587344 -1.0629038607 0 -6.7508632104 0.3174725251 0.960965125 0 -6.3549427144 -0.512373481 -1.2660857266 0 -7.2468912211 -0.1532370619 -0.2551396256 0 3.6110953593 0.1111002346 1.52001086 0 1.8608918736 1.1742758647 -0.7413982037 0 3.7024433345 1.3468973727 -2.1063854042 0 4.0235811257 2.7951231375 -1.1332709828 0 5.3451372323 1.9678840465 -1.9674971814 0 5.589612907 2.5916042984 0.9361571395 0 6.7378475895 1.5546158092 0.0789009521 0 5.9809821128 0.9883504906 1.5749036725 0 5.2697156881 -1.1330138037 0.2283207909 0 6.1124096737 -0.3720268642 -1.1265278867 0 4.4626801921 -0.9370423947 -1.3339355426 0 2.4541189412 2.068600634 1.9197953798 0 1.5778999027 -0.4462455436 -2.6044638129 0 -0.1585433351 1.0826076461 -1.280690417 0 -0.6069951795 -0.3038176176 2.7599835557 0 2.3736312496 -3.9773913788 -0.5265045644 0 -2.5664459283 0.90076757 -1.6156506399 0 -3.0478340205 -0.4886738276 2.4210923001 0 -5.0066928621 0.8165691332 2.1065112227 0 -4.2995655922 -0.7074865192 -1.8495946689 0 -7.4349057878 0.6064076286 1.7518298919 0 -6.7286653014 -0.8882162188 -2.212632976 0 -8.3163388735 -0.2400387403 -0.413065991