Gaussian 16 GINC-CIBELES28 PAULAPLA Optimization bitertanol_RR CONF9 octanol EM64L-G16RevC.01 8-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-2508787/Gau-4383.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2508787/" chk=/home/paulapla/almacen/ADAMA/censo_results/bitertanol_RR/octanol/CONF9/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_RR CONF9 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 1.4024 0.9638 1.3927 1.3608 1.3337 1.4494 1.3352 1.308 1.3111 1.3474 1.548 1.5302 1.5316 1.5309 1.5507 1.0958 1.0953 1.0913 1.0919 1.0913 1.0913 1.0925 1.0925 1.0906 1.092 1.0927 1.3893 1.3918 1.0786 1.3886 1.0816 1.3812 1.0828 1.0789 1.3919 1.3973 1.4761 1.0827 1.0828 1.3963 1.3963 1.3868 1.0831 1.3868 1.0831 1.3882 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 48 110.1416 120.3435 120.5839 110.13 128.9908 102.5566 102.7957 111.3824 111.2848 107.8415 108.8563 108.4276 108.9754 112.4057 110.41 105.3879 113.6474 108.1274 106.3065 109.5317 107.2287 112.1538 111.1424 105.516 111.3131 113.0881 109.4006 112.2398 106.5616 108.0021 107.2339 109.8903 112.9686 112.9892 106.16 106.5856 107.8302 112.2183 110.5127 111.3503 107.4418 107.7267 107.375 124.9137 115.3334 119.752 109.7278 123.7322 126.5362 119.3432 122.4124 118.2292 120.0994 119.6528 120.2466 114.7819 121.8701 123.3474 117.6153 121.2087 121.1723 121.8954 118.0724 120.0057 121.2925 118.6246 120.0712 120.7014 120.9901 118.3072 120.8614 119.8953 119.228 120.8367 119.9262 119.2258 120.2664 119.6068 120.1239 120.2881 119.5985 120.1119 119.4398 120.2783 120.2819 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 56.1744 -71.8743 173.7241 75.4462 -163.8437 -41.3552 -6.1426 174.2101 -175.1005 -0.8017 -140.4284 101.2684 -19.5153 46.4639 -71.8393 167.377 0.9561 -179.711 174.639 -6.028 0.4078 -179.3374 -0.6462 -179.9557 0.1409 179.8818 -177.4241 -51.1024 66.6643 -55.7538 70.5679 -171.6654 63.7175 -169.9608 -52.1941 68.9093 -172.4938 -53.589 -54.1608 64.4361 -176.6591 -172.5831 -53.9862 64.9186 -177.1284 64.525 -58.2311 -53.9997 -172.3464 64.8975 64.0775 -54.2692 -177.0253 -59.2957 -179.1976 61.5548 179.9769 60.075 -59.1726 61.6302 -58.2718 -177.5193 -146.6557 -26.9715 90.3348 85.9783 -154.3375 -37.0312 -32.8368 86.8474 -155.8463 -179.3883 -0.8332 0.2446 178.7997 179.2454 -1.1491 -0.4216 179.1839 0.1959 178.3222 -178.4196 -0.2933 0.1632 178.9177 -179.44 -0.6854 -0.4453 -178.5362 178.8683 0.7774 0.2637 -178.473 -179.0501 2.2132 -141.5671 38.0152 37.7221 -142.6957 179.5314 0.9629 -0.0618 -178.6303 -179.3961 1.8372 0.1959 -178.5709 -0.1092 -179.4908 178.4687 -0.9129 -0.16 -179.7098 178.6153 -0.9346 0.1473 -179.8492 179.5257 -0.4708 -0.014 179.9825 179.5335 -0.47 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2134.7885400560 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= 1.11D-06 NBF= 688 NBsUse= 685 1.00D-06 EigRej= 6.47D-07 NBFU= 685 Berny optimization. local minimum Step number 16 out of a maximum of 268 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00307 0.00341 0.00373 0.00378 0.00533 0.00595 0.00779 0.01101 0.01277 0.01675 0.01816 0.01835 0.02115 0.02152 0.02179 0.02200 0.02207 0.02216 0.02225 0.02233 0.02235 0.02244 0.02250 0.02252 0.02254 0.02256 0.02278 0.02362 0.02635 0.02638 0.02663 0.04037 0.04363 0.04630 0.04780 0.04951 0.05089 0.05255 0.05392 0.05483 0.05532 0.05608 0.05632 0.05672 0.05818 0.06909 0.07869 0.08694 0.14528 0.14954 0.15450 0.15794 0.15975 0.15991 0.15994 0.15997 0.15997 0.15999 0.15999 0.15999 0.16000 0.16000 0.16001 0.16004 0.16013 0.16020 0.16055 0.16106 0.16167 0.16352 0.16432 0.17861 0.19453 0.21824 0.21925 0.22000 0.22027 0.22326 0.23184 0.23581 0.23720 0.24144 0.24804 0.24840 0.24992 0.25267 0.26445 0.28414 0.29273 0.29680 0.30040 0.32563 0.34005 0.34185 0.34500 0.34536 0.34546 0.34586 0.34620 0.34657 0.34709 0.34828 0.35158 0.35410 0.35618 0.35625 0.35658 0.35663 0.35675 0.35694 0.35709 0.35789 0.35935 0.36146 0.36187 0.37608 0.39410 0.42195 0.42875 0.42929 0.43076 0.43514 0.46575 0.46603 0.47023 0.47370 0.47528 0.47682 0.48128 0.48880 0.49205 0.50899 0.53042 0.54682 0.56253 0.56713 0.60416 0.64326 -6.18445201e-09 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 2.69296 1.82472 2.66213 2.61014 2.56712 2.76709 2.54097 2.49732 2.50504 2.57282 2.94470 2.90924 2.91152 2.90955 2.93636 2.06612 2.06100 2.06473 2.06769 2.06604 2.06688 2.06803 2.06733 2.06443 2.06760 2.06903 2.63519 2.63774 2.03763 2.63563 2.04416 2.62289 2.04809 2.03983 2.64606 2.65544 2.80503 2.04863 2.04875 2.65326 2.65348 2.63310 2.04912 2.63293 2.04932 2.63651 2.05005 2.63658 2.05002 2.04942 1.91978 2.09102 2.11008 1.91799 2.25252 1.79044 1.79894 1.93336 1.94402 1.87665 1.90513 1.89882 1.90501 1.96082 1.93329 1.82962 1.98157 1.89451 1.85390 1.90896 1.86414 1.95135 1.95596 1.84310 1.94174 1.96117 1.90777 1.94647 1.87671 1.88356 1.88537 1.91120 1.95755 1.96111 1.86755 1.87235 1.88983 1.94506 1.92332 1.93720 1.88652 1.88642 1.88333 2.17619 2.00980 2.09715 1.91754 2.14675 2.21882 2.08022 2.12433 2.07841 2.09312 2.07728 2.11267 1.99978 2.12724 2.15614 2.05406 2.11508 2.11406 2.12590 2.06635 2.09056 2.11584 2.07596 2.09105 2.11060 2.10969 2.06289 2.11000 2.08833 2.08464 2.11021 2.08742 2.08536 2.09961 2.08789 2.09565 2.09941 2.08792 2.09582 2.08425 2.09962 2.09932 1.10662 -1.12993 -3.12259 1.41730 -2.74559 -0.61774 -0.24134 2.91074 -3.07881 -0.00788 -2.46723 1.75211 -0.36474 0.75997 -1.30388 2.86246 0.01241 -3.14141 3.07590 -0.07792 0.00095 -3.13356 -0.01092 -3.13966 0.00620 3.14059 -3.12871 -0.91787 1.13940 -1.00468 1.20616 -3.01975 1.08174 -2.99061 -0.93334 1.18051 -3.02067 -0.93709 -0.96621 1.11580 -3.08380 -3.04340 -0.96140 1.12218 -3.13793 1.07471 -1.05913 -0.99759 -3.06813 1.08121 1.07575 -0.99479 -3.12863 -1.03744 -3.13178 1.06613 -3.13223 1.05661 -1.02866 1.07368 -1.02066 -3.10594 -2.58470 -0.49444 1.56459 1.47325 -2.71968 -0.66064 -0.60739 1.48287 -2.74128 3.13908 -0.02536 -0.01350 3.10525 3.13944 -0.01833 0.00782 3.13323 0.00826 3.12016 -3.11109 0.00081 0.00341 3.11721 -3.12167 -0.00787 0.00264 -3.10886 -3.13933 0.03236 -0.00852 -3.12208 3.13345 0.01988 -2.46771 0.67534 0.67350 -2.46664 -3.13978 0.02439 0.00040 -3.11862 -3.14158 0.02160 0.00142 -3.11858 -0.00152 -3.13371 3.11755 -0.01464 -0.00214 -3.13400 3.11789 -0.01397 0.00081 -3.14089 3.13296 -0.00874 0.00100 -3.14049 3.13282 -0.00867 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -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 -0.00001 -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 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 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 -0.00001 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 0.00010 0.00010 0.00010 -0.00003 -0.00002 -0.00002 0.00001 0.00001 -0.00001 0.00002 0.00007 0.00007 0.00007 0.00004 0.00003 0.00004 -0.00003 0.00000 0.00001 0.00003 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00002 -0.00000 -0.00003 -0.00002 -0.00002 -0.00003 -0.00003 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00005 -0.00004 -0.00005 -0.00005 -0.00004 -0.00005 -0.00006 -0.00005 -0.00006 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 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 0.00004 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00003 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00004 -0.00002 -0.00001 0.00005 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00000 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 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00013 -0.00016 -0.00014 -0.00007 -0.00008 -0.00008 0.00001 -0.00002 0.00004 0.00018 0.00012 0.00013 0.00011 -0.00005 -0.00003 -0.00005 -0.00016 -0.00005 -0.00000 0.00010 -0.00015 -0.00005 0.00006 -0.00005 0.00006 -0.00004 -0.00002 -0.00004 0.00001 -0.00002 -0.00004 0.00001 -0.00002 -0.00004 0.00000 0.00002 0.00002 0.00002 0.00002 0.00003 0.00003 0.00003 0.00004 0.00003 0.00000 0.00001 0.00000 0.00001 0.00002 0.00000 -0.00000 0.00001 -0.00000 -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 0.00001 -0.00000 0.00002 0.00004 0.00003 0.00005 -0.00001 -0.00002 -0.00000 -0.00001 0.00002 0.00003 0.00006 0.00000 -0.00000 -0.00003 -0.00004 0.00000 0.00001 -0.00003 -0.00002 0.00001 -0.00002 0.00001 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 0.00002 0.00005 0.00002 0.00004 0.00002 0.00002 0.00002 0.00002 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00006 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00003 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00005 -0.00002 -0.00002 0.00006 0.00002 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00000 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 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00003 -0.00006 -0.00004 -0.00010 -0.00011 -0.00010 0.00002 -0.00001 0.00003 0.00020 0.00019 0.00020 0.00019 -0.00001 0.00000 -0.00002 -0.00018 -0.00005 0.00000 0.00014 -0.00015 -0.00006 0.00008 -0.00006 0.00005 -0.00005 -0.00004 -0.00006 -0.00000 -0.00003 -0.00005 0.00001 -0.00004 -0.00006 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00002 0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00002 -0.00002 -0.00003 -0.00007 -0.00007 -0.00006 -0.00008 -0.00008 -0.00008 -0.00008 -0.00007 -0.00007 -0.00004 -0.00004 -0.00003 -0.00001 -0.00001 -0.00000 -0.00007 -0.00007 -0.00006 -0.00001 0.00002 0.00003 0.00006 0.00001 -0.00000 -0.00003 -0.00004 -0.00000 0.00001 -0.00003 -0.00002 0.00000 -0.00002 0.00001 -0.00001 -0.00002 -0.00003 -0.00002 -0.00003 0.00002 0.00005 0.00002 0.00004 0.00001 0.00001 0.00002 0.00002 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 2.69302 1.82472 2.66212 2.61015 2.56713 2.76710 2.54097 2.49732 2.50505 2.57282 2.94466 2.90924 2.91152 2.90955 2.93635 2.06612 2.06101 2.06473 2.06769 2.06604 2.06688 2.06803 2.06733 2.06443 2.06760 2.06903 2.63519 2.63775 2.03763 2.63564 2.04416 2.62289 2.04809 2.03984 2.64606 2.65544 2.80503 2.04863 2.04875 2.65326 2.65348 2.63310 2.04912 2.63293 2.04932 2.63651 2.05005 2.63658 2.05002 2.04942 1.91974 2.09103 2.11008 1.91800 2.25251 1.79043 1.79894 1.93337 1.94402 1.87667 1.90514 1.89881 1.90500 1.96077 1.93326 1.82960 1.98163 1.89452 1.85391 1.90897 1.86413 1.95134 1.95595 1.84310 1.94175 1.96117 1.90778 1.94647 1.87671 1.88355 1.88536 1.91121 1.95754 1.96113 1.86754 1.87234 1.88983 1.94507 1.92331 1.93721 1.88652 1.88641 1.88332 2.17618 2.00980 2.09716 1.91754 2.14678 2.21880 2.08022 2.12434 2.07840 2.09311 2.07729 2.11267 1.99979 2.12723 2.15614 2.05405 2.11507 2.11406 2.12590 2.06635 2.09056 2.11584 2.07596 2.09106 2.11060 2.10970 2.06289 2.11000 2.08833 2.08463 2.11021 2.08742 2.08535 2.09961 2.08788 2.09565 2.09941 2.08791 2.09582 2.08424 2.09963 2.09932 1.10659 -1.12999 -3.12263 1.41721 -2.74569 -0.61784 -0.24132 2.91073 -3.07878 -0.00769 -2.46704 1.75231 -0.36456 0.75995 -1.30388 2.86244 0.01223 -3.14146 3.07590 -0.07778 0.00080 -3.13362 -0.01084 -3.13972 0.00625 3.14054 -3.12875 -0.91793 1.13940 -1.00471 1.20611 -3.01975 1.08170 -2.99067 -0.93334 1.18050 -3.02067 -0.93709 -0.96621 1.11580 -3.08381 -3.04340 -0.96138 1.12219 -3.13795 1.07470 -1.05915 -0.99760 -3.06814 1.08120 1.07573 -0.99481 -3.12866 -1.03751 -3.13185 1.06607 -3.13231 1.05653 -1.02874 1.07360 -1.02074 -3.10601 -2.58474 -0.49449 1.56456 1.47324 -2.71969 -0.66064 -0.60746 1.48279 -2.74134 3.13906 -0.02534 -0.01347 3.10531 3.13945 -0.01834 0.00779 3.13320 0.00826 3.12017 -3.11112 0.00079 0.00341 3.11719 -3.12166 -0.00788 0.00261 -3.10890 -3.13935 0.03233 -0.00849 -3.12203 3.13347 0.01993 -2.46769 0.67535 0.67352 -2.46662 -3.13978 0.02440 0.00040 -3.11861 -3.14158 0.02161 0.00142 -3.11857 -0.00152 -3.13371 3.11754 -0.01465 -0.00214 -3.13400 3.11788 -0.01398 0.00081 -3.14089 3.13296 -0.00874 0.00100 -3.14049 3.13282 -0.00867 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.000657 0.000164 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.839750e-09 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 1.4251 0.9656 1.4087 1.3812 1.3585 1.4643 1.3446 1.3215 1.3256 1.3615 1.5583 1.5395 1.5407 1.5397 1.5539 1.0933 1.0906 1.0926 1.0942 1.0933 1.0937 1.0944 1.094 1.0924 1.0941 1.0949 1.3945 1.3958 1.0783 1.3947 1.0817 1.388 1.0838 1.0794 1.4002 1.4052 1.4844 1.0841 1.0842 1.404 1.4042 1.3934 1.0843 1.3933 1.0845 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 48 109.995 119.8064 120.8987 109.8929 129.0596 102.5845 103.0717 110.7733 111.3844 107.5244 109.1562 108.7945 109.149 112.3467 110.7691 104.8294 113.5355 108.5472 106.2209 109.3752 106.8073 111.804 112.0681 105.6017 111.2534 112.3666 109.3074 111.5246 107.5275 107.92 108.0238 109.5037 112.1592 112.3636 107.0025 107.2778 108.2793 111.4437 110.1979 110.9936 108.0896 108.0838 107.9067 124.6862 115.153 120.1581 109.8671 122.9999 127.1288 119.1879 121.715 119.0844 119.9267 119.0193 121.0473 114.5792 121.8817 123.5378 117.6887 121.1849 121.1264 121.8051 118.3931 119.78 121.2287 118.9439 119.8083 120.9285 120.8765 118.1949 120.8941 119.6522 119.4411 120.9061 119.6004 119.4821 120.2989 119.6271 120.0718 120.2874 119.6288 120.0815 119.4185 120.2996 120.2819 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 63.4045 -64.7402 -178.9111 81.2055 -157.3105 -35.3938 -13.8279 166.7731 -176.403 -0.4517 -141.362 100.3883 -20.8982 43.5429 -74.7068 164.0067 0.7109 -179.9896 176.236 -4.4646 0.0547 -179.5399 -0.6259 -179.889 0.3555 179.9425 -179.2621 -52.5903 65.2826 -57.5638 69.108 -173.0191 61.9789 -171.3493 -53.4764 67.6382 -173.0716 -53.6912 -55.3596 63.9307 -176.689 -174.3742 -55.084 64.2963 -179.7903 61.5765 -60.6837 -57.1578 -175.7911 61.9487 61.6361 -56.9972 -179.2573 -59.441 -179.4379 61.0848 -179.4637 60.5394 -58.9379 61.5171 -58.4797 -177.957 -148.0924 -28.3295 89.6445 84.4111 -155.826 -37.8519 -34.8008 84.962 -157.0639 179.8558 -1.4532 -0.7733 177.9177 179.8767 -1.0505 0.4482 179.521 0.4734 178.7723 -178.2524 0.0465 0.1952 178.6029 -178.8585 -0.4508 0.1511 -178.1247 -179.8702 1.854 -0.488 -178.8821 179.5333 1.1392 -141.3891 38.6941 38.5888 -141.328 -179.8961 1.3974 0.023 -178.6836 -179.9995 1.2375 0.0814 -178.6816 -0.0871 -179.5482 178.6222 -0.839 -0.1224 -179.565 178.642 -0.8006 0.0466 -179.9595 179.5053 -0.5008 0.0571 -179.9367 179.4972 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0527385223 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 3.525900 0.000000 2.637155 2.321650 0.000000 3.149102 3.477228 1.333694 0.000000 3.927395 4.139395 2.164189 2.236953 0.000000 2.453123 3.192708 3.814880 4.505441 5.759343 0.000000 1.402393 2.371457 2.475220 3.358655 4.274962 1.547970 0.000000 2.426573 1.392729 1.449358 2.417933 3.577042 2.593579 1.550724 0.000000 3.791318 2.969396 4.423752 5.250971 6.489664 1.530212 2.542634 2.991240 0.000000 2.932017 4.107249 4.227407 4.479145 6.174881 1.531593 2.542292 3.183778 2.490431 0.000000 2.939691 4.386579 4.951986 5.680359 6.644019 1.530891 2.488366 3.896491 2.483182 2.492834 0.000000 4.754509 1.360843 3.002813 3.912930 4.609084 4.305284 3.655644 2.388832 3.789935 4.998504 5.602133 0.000000 3.200733 2.917857 1.335220 2.187982 1.311121 4.721170 3.216970 2.513703 5.324687 5.355633 5.625600 3.564074 0.000000 5.250011 2.438465 3.124555 3.577659 4.582285 4.996314 4.359601 2.863001 4.621152 5.313916 6.433392 1.389277 3.846106 0.000000 5.849782 2.325904 4.263384 5.256099 5.655862 5.155164 4.647101 3.620911 4.331665 6.024730 6.292211 1.391795 4.579018 2.405464 0.000000 3.831113 4.321669 2.061094 1.307997 1.347438 5.580143 4.265413 3.451015 6.380700 5.659927 6.607451 4.710778 2.077780 4.380387 5.945585 0.000000 7.484301 4.162306 5.385388 5.924918 6.508929 6.911399 6.431216 5.069508 6.117350 7.378724 8.254726 2.804962 5.792305 2.430623 2.421767 6.531136 0.000000 6.638130 3.677787 4.431140 4.755579 5.608570 6.273665 5.727330 4.248152 5.715516 6.540834 7.712820 2.397679 5.008301 1.388562 2.760407 5.417445 1.391908 0.000000 7.114677 3.604376 5.287521 6.107393 6.505205 6.398035 5.944688 4.786207 5.485733 7.124483 7.593679 2.402682 5.583372 2.773924 1.381188 6.734006 1.397297 2.385981 0.000000 8.938758 5.637797 6.765838 7.195226 7.722771 8.340016 7.901206 6.522160 7.482902 8.739671 9.690202 4.280920 7.122114 3.783419 3.775709 7.721145 1.476074 2.499074 2.503279 0.000000 9.834181 6.437689 7.639155 8.173183 8.388852 9.300204 8.783823 7.458982 8.406258 9.849822 10.566957 5.130636 7.795677 4.859239 4.359521 8.568558 2.496605 3.683361 3.013496 1.396299 0.000000 9.605417 6.493383 7.446429 7.673543 8.462118 8.933007 8.611401 7.196018 8.086954 9.114579 10.352720 5.146456 7.955911 4.379129 4.864591 8.259170 2.500152 3.018119 3.695250 1.396275 2.397551 0.000000 11.184652 7.809263 8.946368 9.400671 9.616600 10.628093 10.144460 8.798144 9.701730 11.118787 11.910562 6.488825 9.099807 6.120363 5.731658 9.759126 3.773156 4.854276 4.370089 2.420625 1.386792 2.770058 0.000000 10.983735 7.855174 8.781657 8.968692 9.679369 10.308585 9.995466 8.576067 9.427023 10.473203 11.721297 6.501237 9.236570 5.746105 6.124851 9.487378 3.775339 4.370391 4.865643 2.420342 2.769551 1.386832 2.397686 0.000000 11.713943 8.439812 9.462418 9.762527 10.210447 11.090319 10.697288 9.299886 10.166940 11.406740 12.445782 7.083364 9.756874 6.499829 6.495950 10.180834 4.278769 5.137954 5.144656 2.802728 2.406437 2.406793 1.388204 1.388274 0.000000 1.995771 2.383629 2.906390 4.022619 4.416873 2.156984 1.095822 2.135374 2.815345 3.469846 2.628226 3.743348 3.239577 4.708382 4.483413 4.726273 6.536867 6.024608 5.848745 8.010023 8.746097 8.867168 10.128371 10.233101 10.809370 0.000000 2.954245 2.071167 2.037041 2.451274 4.167259 2.710200 2.199772 1.095262 3.006220 2.791464 4.188966 2.614560 3.316235 2.664112 3.923156 3.698079 4.968999 3.988292 4.912284 6.358872 7.446483 6.834545 8.729484 8.213448 9.073527 3.032727 0.000000 4.169895 2.659570 4.196170 4.922087 6.333842 2.200534 2.899552 2.765608 1.091346 2.724479 3.460203 3.140866 5.216201 3.783812 3.753154 6.114418 5.240859 4.789821 4.767003 6.570086 7.578759 7.083977 8.842808 8.423199 9.223835 3.331595 2.503170 0.000000 4.594903 4.037834 5.465130 6.207528 7.542064 2.154924 3.481382 4.038429 1.091867 2.752310 2.657140 4.750711 6.397348 5.519952 5.172958 7.374156 6.860142 6.517739 6.229072 8.150832 9.087658 8.669577 10.335384 9.970605 10.741588 3.753783 3.920968 1.750009 0.000000 4.097341 2.787329 4.586676 5.617079 6.515402 2.190091 2.767253 3.217816 1.091281 3.462541 2.788746 3.638431 5.259779 4.728274 3.898384 6.626228 5.970146 5.772306 5.119863 7.338313 8.110290 8.102079 9.428076 9.421691 10.026206 2.605477 3.532393 1.765805 1.757585 0.000000 3.951229 4.883122 5.268310 5.516824 7.254789 2.161952 3.487894 4.132943 2.674097 1.091306 2.759205 5.679339 6.406139 6.004888 6.579826 6.723665 7.893259 7.133401 7.619050 9.197763 10.328331 9.498567 11.560393 10.825905 11.792452 4.294980 3.668105 2.948651 2.483658 3.710099 0.000000 2.703027 4.786170 4.423106 4.488384 6.131087 2.201189 2.862469 3.669736 3.465639 1.092498 2.727144 5.760575 5.474398 6.009572 6.869342 5.552012 8.209974 7.282494 7.999056 9.582684 10.695428 9.949818 11.971971 11.310847 12.258077 3.803828 3.365941 3.778780 3.721123 4.344002 1.745897 0.000000 3.264878 3.858364 3.854637 3.925963 5.856215 2.201410 2.813490 2.884377 2.808742 1.092459 3.470936 4.516633 5.115313 4.579568 5.643715 5.189905 6.689952 5.745244 6.617580 7.999801 9.179572 8.272886 10.408421 9.618350 10.611198 3.838630 2.156917 2.600550 3.206228 3.800203 1.750725 1.765762 0.000000 2.631696 4.961304 5.049217 5.636280 6.514115 2.189942 2.741542 4.245408 3.456724 2.772635 1.090643 6.236144 5.644701 6.977051 7.045444 6.448804 8.961783 8.313056 8.366692 10.416691 11.308677 11.068822 12.663418 12.449901 13.194680 2.951086 4.565294 4.339434 3.680289 3.794446 3.162153 2.558479 3.775179 0.000000 3.931554 5.169299 5.886829 6.545712 7.667245 2.169740 3.454415 4.736043 2.723797 2.720558 1.092024 6.279264 6.648987 7.076899 6.895640 7.548214 8.794498 8.291312 8.136150 10.186299 11.095907 10.774967 12.408079 12.122513 12.886279 3.653889 4.856116 3.705307 2.436807 3.146889 2.535293 3.014465 3.751764 1.759544 0.000000 3.333892 4.344777 5.169535 6.089190 6.738167 2.180772 2.748242 4.141596 2.729266 3.459475 1.092734 5.590990 5.634490 6.605361 6.091493 6.913688 8.246534 7.854810 7.428413 9.682050 10.436834 10.467577 11.794204 11.821868 12.437465 2.427158 4.649086 3.774400 2.979043 2.586789 3.748973 3.760263 4.339150 1.763323 1.760477 0.000000 0.963821 3.984644 2.875538 2.996737 4.211401 2.612952 1.956149 2.699769 4.016112 2.540561 3.233257 5.086671 3.671736 5.367009 6.288293 3.799037 7.704481 6.735509 7.481414 9.127008 10.120240 9.665230 11.439491 11.038627 11.863045 2.817187 2.874038 4.278931 4.723295 4.542865 3.574441 2.086127 2.768473 2.851251 4.068557 3.877030 0.000000 3.527349 2.833482 2.132035 3.216562 2.136847 4.837103 3.342669 2.857289 5.297608 5.740862 5.584638 3.554528 1.078572 4.163616 4.297017 3.134470 5.815500 5.269126 5.370905 7.152966 7.678111 8.134090 9.008296 9.399257 9.796297 3.005092 3.837807 5.299683 6.373454 5.014463 6.742516 5.941991 5.632245 5.683039 6.627068 5.384636 4.204699 0.000000 4.811975 2.755382 2.644622 2.740492 4.112115 4.837055 4.147826 2.621939 4.752471 4.908729 6.312871 2.170399 3.564865 1.081550 3.402008 3.632134 3.391490 2.125690 3.854604 4.624249 5.758514 5.019254 6.956059 6.356878 7.218177 4.698128 2.200341 3.946885 5.651251 5.049732 5.673355 5.469481 4.075304 6.723012 6.977104 6.630131 4.772701 4.146166 0.000000 5.874496 2.526443 4.667254 5.811181 6.035159 5.066353 4.619609 3.914871 4.171936 6.151543 5.990696 2.144896 4.853914 3.384967 1.082755 6.473797 3.401350 3.843118 2.141649 4.643805 5.032381 5.789999 6.378443 6.992157 7.250358 4.231056 4.395811 3.835156 4.966340 3.492533 6.661828 6.999053 5.957335 6.790406 6.581185 5.618967 6.434123 4.362430 4.300916 0.000000 4.644685 5.352186 3.101292 2.089272 2.139596 6.455977 5.216692 4.435141 7.311950 6.355711 7.469234 5.650487 3.119054 5.145908 6.894044 1.078889 7.237789 6.055482 7.583539 8.325934 9.191830 8.747500 10.308905 9.913293 10.643116 5.741381 4.533351 7.010588 8.267954 7.629005 7.395864 6.140708 5.830824 7.229118 8.378123 7.847149 4.465365 4.146085 4.304044 7.483343 0.000000 7.196515 4.555365 4.910330 4.952158 5.917911 6.957137 6.415045 4.895828 6.499953 7.025689 8.443262 3.367846 5.526434 2.124887 3.842636 5.548955 2.148665 1.082654 3.375566 2.717698 3.966124 2.780158 4.926998 4.033031 4.960037 6.826005 4.487060 5.529606 7.268032 6.675057 7.612637 7.700363 6.124873 8.981620 9.005929 8.679832 7.177635 5.938412 2.409625 4.925362 6.013565 0.000000 7.974108 4.449999 6.259333 7.142487 7.406252 7.145217 6.758593 5.718280 6.114565 7.964346 8.235456 3.375080 6.459412 3.856425 2.124430 7.730793 2.154360 3.375287 1.082835 2.723805 2.782592 3.976664 4.040094 4.939640 4.971860 6.547130 5.901468 5.471713 6.773253 5.622087 8.394140 8.873421 7.525827 9.062403 8.731285 7.968314 8.398987 6.122053 4.937316 2.445421 8.594673 4.284122 0.000000 9.578953 6.154289 7.436872 8.107380 8.089358 9.124934 8.525212 7.279507 8.250244 9.827493 10.303310 4.940384 7.444174 4.920708 4.011266 8.433945 2.710023 3.955739 2.768014 2.151819 1.083107 3.384041 2.136157 3.852390 3.381827 8.359231 7.424686 7.526016 8.976908 7.829121 10.350353 10.658671 9.247374 11.037795 10.881867 10.071024 9.961456 7.190864 5.882099 4.523639 9.124843 4.442274 2.349774 0.000000 9.160420 6.258845 7.092753 7.200415 8.247807 8.437361 8.205707 6.794658 7.645255 8.459593 9.899037 4.970910 7.758367 4.044650 4.935909 7.886974 2.716580 2.783572 3.972297 2.152139 3.384253 1.083123 3.852927 2.136183 3.382129 8.584267 6.288914 6.594831 8.186735 7.800140 8.805833 9.276763 7.561524 10.589925 10.277420 10.119344 9.124472 8.051308 4.526100 5.917371 8.335185 2.356434 4.453797 4.287667 0.000000 11.913720 8.509040 9.678497 10.194120 10.228481 11.400619 10.871222 9.564093 10.461300 11.980937 12.627754 7.231410 9.717792 6.978185 6.367214 10.478602 4.635181 5.772849 5.034350 3.396577 2.139702 3.852515 1.082501 3.381477 2.146457 10.769179 9.581056 9.656389 11.103896 10.102372 12.437697 12.833546 11.313866 13.385609 13.145970 12.437212 12.227430 9.539837 7.844208 6.897578 11.040423 5.904143 4.544469 2.450512 4.935421 0.000000 11.576893 8.584413 9.408986 9.478856 10.339875 10.862789 10.622362 9.198279 9.999663 10.891943 12.305560 7.251627 9.949958 6.387028 6.988897 10.029684 4.638546 5.038122 5.787454 3.396323 3.852008 2.139644 3.381380 1.082493 2.146386 10.944561 8.729727 8.958536 10.487114 10.088238 11.193329 11.713960 9.987338 13.022104 12.658364 12.481756 11.552865 10.194651 6.880280 7.885972 10.381128 4.539087 5.918826 4.934878 2.450386 4.280096 0.000000 12.788699 9.521961 10.518290 10.784911 11.210392 12.158951 11.777867 10.376042 11.219280 12.452735 13.515285 8.165610 10.796587 7.565511 7.562707 11.173418 5.361079 6.195432 6.202877 3.885045 3.388118 3.388420 2.147934 2.148036 1.082318 11.890824 10.134584 10.270123 11.768500 11.079765 12.818116 13.305283 11.643516 14.270147 13.940076 13.506958 12.927095 10.838188 8.256186 8.291500 11.594763 5.954039 5.967363 4.274372 4.274584 2.477198 2.477128 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4334030 0.0997475 0.0892862 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3.567712 0.000000 2.691155 2.344642 0.000000 3.198614 3.529566 1.358463 0.000000 4.054218 4.165394 2.185577 2.257617 0.000000 2.479431 3.187245 3.853854 4.568023 5.847780 0.000000 1.425055 2.380109 2.503653 3.402431 4.352524 1.558266 0.000000 2.452686 1.408740 1.464282 2.456116 3.614201 2.603154 1.553856 0.000000 3.821663 2.940837 4.454502 5.322518 6.541873 1.539502 2.549498 3.005700 0.000000 2.975319 4.090490 4.270649 4.546635 6.281941 1.540709 2.559840 3.184413 2.510083 0.000000 2.940604 4.400875 4.990914 5.732258 6.742597 1.539669 2.498727 3.911879 2.503590 2.510108 0.000000 4.812735 1.381229 3.082261 4.012911 4.708836 4.250061 3.662461 2.413862 3.685455 4.908347 5.577382 0.000000 3.313702 2.926962 1.344625 2.212804 1.325610 4.786563 3.279297 2.536429 5.351442 5.432653 5.704068 3.646176 0.000000 5.310766 2.458574 3.193461 3.674347 4.657014 4.969305 4.376027 2.890133 4.571112 5.247488 6.428156 1.394481 3.901913 0.000000 5.901101 2.344154 4.367943 5.379692 5.819987 5.033384 4.633132 3.640305 4.117866 5.858270 6.205947 1.395834 4.717140 2.418407 0.000000 3.926162 4.370336 2.091446 1.321527 1.361477 5.667893 4.334873 3.496998 6.456762 5.763922 6.691713 4.822699 2.104101 4.479469 6.103952 0.000000 7.547303 4.190675 5.511732 6.075487 6.711878 6.789830 6.426138 5.097306 5.923914 7.186012 8.163191 2.812888 5.954971 2.442213 2.433805 6.729411 0.000000 6.701798 3.704307 4.530789 4.881771 5.748632 6.204470 5.735648 4.276670 5.606278 6.412458 7.669076 2.405571 5.118169 1.394716 2.775968 5.569820 1.400236 0.000000 7.172635 3.629808 5.414623 6.255780 6.714411 6.255694 5.931125 4.810999 5.248164 6.918716 7.484391 2.409959 5.755371 2.788869 1.387971 6.931467 1.405197 2.400793 0.000000 9.009165 5.674607 6.912637 7.367086 7.971195 8.199893 7.897628 6.556618 7.265063 8.514540 9.577318 4.297228 7.319073 3.802686 3.795198 7.956740 1.484355 2.513249 2.516807 0.000000 9.959577 6.494536 7.834923 8.397489 8.710206 9.181698 8.818647 7.527732 8.181677 9.649920 10.479086 5.164167 8.054803 4.890864 4.394738 8.869489 2.513360 3.705572 3.038344 1.404044 0.000000 9.630005 6.521575 7.561975 7.809600 8.676134 8.762703 8.575374 7.205522 7.866513 8.843872 10.202344 5.157696 8.120611 4.397753 4.880100 8.459304 2.512815 3.036237 3.708873 1.404162 2.409560 0.000000 11.310689 7.870171 9.151494 9.635502 9.962946 10.495386 10.176922 8.868476 9.463072 10.895304 11.805388 6.526428 9.375900 6.157617 5.769843 10.080709 3.795260 4.882671 4.397854 2.433482 1.393375 2.783221 0.000000 11.021458 7.892491 8.918453 9.127062 9.932289 10.131216 9.966897 8.596543 9.192543 10.188605 11.560859 6.521293 9.431857 5.773451 6.147821 9.720886 3.794930 4.396023 4.885539 2.433652 2.783490 1.393287 2.409444 0.000000 11.800039 8.492367 9.641689 9.968493 10.525711 10.930660 10.700956 9.348917 9.923349 11.144826 12.307105 7.115381 10.004292 6.535834 6.529000 10.472425 4.302526 5.168415 5.170669 2.818171 2.418590 2.418404 1.395182 1.395217 0.000000 2.005924 2.394415 2.915246 4.047149 4.467651 2.169666 1.093343 2.135184 2.812686 3.489255 2.652140 3.771189 3.279095 4.735755 4.508241 4.769521 6.570296 6.056765 5.879396 8.051115 8.827373 8.879085 10.210981 10.255771 10.865144 0.000000 2.969265 2.077352 2.047590 2.490465 4.197683 2.719062 2.198313 1.090636 3.041678 2.781588 4.200224 2.595220 3.329814 2.658772 3.883839 3.742557 4.929595 3.966366 4.868048 6.318746 7.434374 6.771044 8.715172 8.156612 9.039565 3.030525 0.000000 4.188211 2.580237 4.195996 4.976313 6.342414 2.200915 2.883282 2.749719 1.092608 2.742826 3.476450 2.965507 5.195825 3.685129 3.460847 6.162209 4.982173 4.627243 4.455832 6.294231 7.289627 6.822421 8.545987 8.151699 8.934052 3.298737 2.527085 0.000000 4.627996 4.007621 5.497597 6.279831 7.602017 2.163607 3.492566 4.050516 1.094176 2.767044 2.686073 4.623842 6.430476 5.445051 4.912946 7.455541 6.597221 6.362284 5.919686 7.844099 8.763511 8.356150 9.985121 9.630377 10.383610 3.761988 3.948861 1.763832 0.000000 4.104561 2.775585 4.605864 5.675639 6.541520 2.190995 2.760227 3.235252 1.093300 3.477356 2.794710 3.581333 5.264998 4.719550 3.745644 6.680687 5.855309 5.724162 4.959382 7.208266 7.967548 7.980216 9.277941 9.289412 9.880650 2.585290 3.574349 1.767540 1.769972 0.000000 3.978013 4.883653 5.324517 5.601434 7.366737 2.166862 3.504443 4.153529 2.713804 1.093744 2.750678 5.596771 6.487366 5.956440 6.396638 6.838829 7.679423 7.006823 7.384002 8.937000 10.078922 9.193915 11.278377 10.495548 11.473670 4.311691 3.693391 3.013454 2.517688 3.742119 0.000000 2.700411 4.740846 4.413405 4.486763 6.204388 2.200755 2.844537 3.621025 3.482385 1.094357 2.753404 5.657125 5.518783 5.914732 6.711181 5.604173 8.019213 7.137679 7.805819 9.363634 10.513923 9.674409 11.768104 11.024715 12.006530 3.799214 3.296809 3.783250 3.752471 4.349732 1.758948 0.000000 3.345334 3.823256 3.917188 4.032852 5.979509 2.203000 2.840366 2.888923 2.795840 1.093985 3.484719 4.393294 5.199431 4.484418 5.439129 5.327050 6.453608 5.579676 6.368905 7.730804 8.935096 7.960629 10.141496 9.294656 10.308736 3.855649 2.151305 2.581417 3.178713 3.790493 1.761771 1.773536 0.000000 2.608243 4.969188 5.072066 5.659389 6.616015 2.189491 2.739582 4.241276 3.471482 2.777779 1.092450 6.215988 5.727059 6.964883 6.982876 6.518084 8.887269 8.271023 8.284470 10.325388 11.258034 10.927265 12.597148 12.302723 13.083695 2.972041 4.547918 4.345090 3.707316 3.795667 3.136720 2.571983 3.787892 0.000000 3.938426 5.175057 5.927863 6.604564 7.767592 2.175076 3.465551 4.751164 2.744267 2.734990 1.094128 6.226682 6.725382 7.050757 6.758045 7.638994 8.642666 8.208798 7.960780 9.998708 10.921323 10.550052 12.206785 11.876362 12.651895 3.676168 4.870062 3.731179 2.467987 3.157079 2.521026 3.056800 3.755666 1.769984 0.000000 3.317372 4.362898 5.194945 6.127424 6.811515 2.185690 2.747642 4.154487 2.743426 3.475263 1.094883 5.586635 5.692666 6.616123 6.039653 6.975783 8.196250 7.839900 7.362117 9.618165 10.397266 10.373120 11.742601 11.721653 12.357720 2.440957 4.661647 3.781007 3.007762 2.585969 3.747127 3.779385 4.347788 1.770530 1.769900 0.000000 0.965598 3.978972 2.841882 2.948877 4.247282 2.690962 1.975904 2.669796 4.088910 2.644349 3.313275 5.076655 3.695852 5.350000 6.271800 3.800603 7.679621 6.712361 7.460596 9.102510 10.148739 9.591597 11.464305 10.973997 11.845429 2.828372 2.839211 4.325026 4.813470 4.587010 3.672080 2.149889 2.888700 2.911780 4.162955 3.929889 0.000000 3.644945 2.816418 2.133069 3.239094 2.155333 4.889775 3.400236 2.865134 5.294281 5.802555 5.664042 3.612928 1.078269 4.190306 4.425253 3.161725 5.959906 5.352856 5.532717 7.334453 7.924137 8.285223 9.272316 9.582189 10.031367 3.050821 3.833682 5.238750 6.378040 4.989040 6.804290 5.984631 5.687022 5.779497 6.698968 5.447741 4.242444 0.000000 4.864219 2.757730 2.654611 2.791105 4.093249 4.864205 4.171082 2.639717 4.782603 4.922426 6.347584 2.168101 3.534527 1.081722 3.409106 3.656661 3.409713 2.140584 3.870023 4.653266 5.796786 5.052854 7.002628 6.399968 7.267519 4.709999 2.230837 3.954280 5.673619 5.090798 5.722313 5.432721 4.084826 6.736859 7.011346 6.662833 4.754535 4.088930 0.000000 5.903559 2.526917 4.751845 5.914139 6.188539 4.915591 4.583405 3.916019 3.913156 5.965375 5.875272 2.142596 4.981466 3.393090 1.083801 6.614922 3.419816 3.859601 2.157022 4.672190 5.081488 5.810802 6.430414 7.021354 7.293365 4.238950 4.343074 3.510551 4.662190 3.279617 6.451280 6.828114 5.737898 6.707522 6.410659 5.539290 6.406724 4.491155 4.298798 0.000000 4.734558 5.403922 3.132743 2.102016 2.154691 6.548899 5.286140 4.482950 7.397792 6.470593 7.555321 5.765052 3.146028 5.252436 7.056907 1.079434 7.450479 6.220856 7.790982 8.582911 9.518079 8.970926 10.661770 10.175278 10.967296 5.783280 4.584295 7.073553 8.360622 7.690494 7.524216 6.203288 5.986806 7.297800 8.473911 7.908597 4.468095 4.175177 4.342763 7.628069 0.000000 7.268784 4.585601 5.007112 5.078724 6.047083 6.911849 6.435341 4.931397 6.426267 6.923910 8.418169 3.379738 5.625323 2.135050 3.859694 5.697693 2.154943 1.084086 3.389741 2.727413 3.979030 2.801185 4.947551 4.060403 4.987253 6.863287 4.482215 5.415601 7.150722 6.654292 7.517720 7.574220 5.992841 8.952792 8.946854 8.679174 7.161177 6.008693 2.436056 4.943294 6.180903 0.000000 8.031496 4.478760 6.395544 7.298780 7.642682 6.979014 6.740524 5.743829 5.838866 7.728046 8.100892 3.386035 6.653611 3.872795 2.135024 7.946240 2.159763 3.389310 1.084152 2.731521 2.800460 3.984808 4.059982 4.952303 4.989394 6.581257 5.852627 5.128304 6.407415 5.428859 8.113591 8.657920 7.246248 8.963558 8.516610 7.883820 8.378194 6.313915 4.954100 2.471709 8.821534 4.296183 0.000000 9.741914 6.219477 7.654737 8.354293 8.436947 9.035072 8.588825 7.368657 8.036220 9.666436 10.249328 4.979819 7.729121 4.952174 4.053510 8.758106 2.723733 3.974242 2.796152 2.157217 1.084346 3.395853 2.145368 3.867629 3.396382 8.467833 7.432122 7.238997 8.667301 7.685645 10.137910 10.523109 9.040350 11.030626 10.741014 10.060448 10.029814 7.465474 5.915874 4.585019 9.472216 4.448614 2.375111 0.000000 9.133148 6.268040 7.158501 7.281067 8.393114 8.249533 8.134756 6.771197 7.437654 8.166752 9.726831 4.966668 7.864252 4.051060 4.938055 8.021466 2.721891 2.793694 3.976897 2.156854 3.395589 1.084451 3.867477 2.145814 3.396630 8.560303 6.199592 6.359022 7.896488 7.693014 8.491904 8.966418 7.228438 10.411852 10.041730 10.003833 9.001207 8.145228 4.550896 5.921354 8.489594 2.379011 4.455383 4.297684 0.000000 12.071092 8.579472 9.908217 10.455762 10.612995 11.281419 10.925230 9.652023 10.221057 11.773415 12.538713 7.276550 10.025637 7.020100 6.412370 10.834070 4.659905 5.803728 5.066597 3.411560 2.147764 3.868022 1.084840 3.395000 2.154122 10.874317 9.581146 9.354364 10.747153 9.946787 12.164526 12.652775 11.061968 13.344773 12.954528 12.401115 12.282799 9.837389 7.893855 6.959659 11.429889 5.925157 4.569697 2.462696 4.952308 0.000000 11.584891 8.615639 9.524877 9.612491 10.567488 10.668632 10.573767 9.203533 9.766524 10.582779 12.122334 7.268181 10.122817 6.413557 7.008731 10.237078 4.659318 5.065247 5.806510 3.411701 3.868274 2.147690 3.395044 1.084824 2.154243 10.948363 8.660415 8.700119 10.147675 9.961338 10.839767 11.395111 9.642898 12.843296 12.390277 12.362224 11.457464 10.356544 6.925073 7.909596 10.617076 4.572166 5.930677 4.952444 2.463351 4.295341 0.000000 12.877202 9.576781 10.704214 10.998075 11.541521 11.992294 11.781630 10.427170 10.967603 12.179416 13.367361 8.199885 11.055298 7.604172 7.597494 11.478046 5.387034 6.228470 6.230527 3.902679 3.402169 3.401896 2.156260 2.156105 1.084508 11.948578 10.100826 9.975937 11.395818 10.928579 12.482031 13.043125 11.331284 14.151436 13.690470 13.420643 12.909603 11.085317 8.309141 8.336397 11.935361 5.984480 5.986266 4.291462 4.291702 2.485951 2.485847 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4124259 0.0997980 0.0885974 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= 706 706 706 706 706 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 2120.1671488647 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 -0.0526501037 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 2117.7546093674 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 -0.0523732787 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 2121.1713193910 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 -0.0527350126 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 2120.8812736471 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 -0.0527271644 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 2121.0527062967 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 -0.0527208293 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 2121.2445645000 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 -0.0527485165 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 2121.1349634903 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 -0.0527717344 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 2121.1796749802 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 -0.0528221035 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 2121.1602258177 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 -0.0528066167 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 2121.1929519719 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 -0.0528179195 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 2121.3200442501 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 -0.0528438584 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 2121.2894718007 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 -0.0528275172 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 2121.2879508393 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 -0.0528280054 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 2121.3050293401 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 -0.0528321098 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 2121.2999014223 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 -0.0528316299 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= 1.19D-06 NBF= 688 NBsUse= 685 1.00D-06 EigRej= 7.17D-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= 706 706 706 706 706 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1090.40198102020 -1090.66971656997 -0.267735549771 -1090.99539815856 -0.325681588590 -1091.02317881281 -0.027780654248 -1091.03485833084 -0.011679518030 -1091.03537110351 -0.000512772670 -1091.03543029523 -0.000059191725 -1091.03543417046 -0.000003875230 -1091.03543438892 -0.000000218457 -1091.03543442413 -0.000000035210 -1091.03543442605 -0.000000001923 -1091.03543442636 -0.000000000308 -1091.03543442638 -0.000000000017 -1091.03543442650 -0.000000000121 -1091.03543443 14 1.086951348778e+03 -6.808159139989e+03 2.495440607345e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830119088 LenY= 2829610006 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. 2.14576383e-01 -1.81949182e+00 6.03314936e-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 -0.010975457 0.008096032 -0.001390695 -0.006311184 -0.008004517 -0.007700321 0.001220289 -0.009866827 -0.002723284 -0.000405966 0.002340282 0.018330061 0.000267934 0.012244524 -0.010006266 -0.000509393 -0.001441737 0.001314114 0.006884807 -0.008249203 -0.003316865 -0.004042196 -0.001179262 0.008269704 0.004205932 -0.003953865 0.000210979 -0.000503028 0.001454943 0.005825577 -0.004590596 -0.002390654 -0.002002241 0.007068525 -0.000353056 0.001621181 0.001451561 -0.009644382 -0.013283115 -0.002131197 0.004221365 0.003543149 -0.000964285 -0.003159815 -0.003531704 -0.001768524 0.016976325 0.004866765 0.002636862 0.000043402 0.000388295 0.000692063 0.003516398 0.003599264 0.001748450 -0.003758007 -0.003174221 -0.002946755 -0.000102728 -0.000357561 -0.000376111 -0.000722024 -0.005286876 -0.001744540 0.000566260 0.004999675 0.002746058 -0.000607812 -0.003887041 0.001624273 0.000748304 0.004477601 0.005430060 0.000141434 0.000699816 0.000871998 0.001022610 0.000747666 -0.000159782 -0.000546753 -0.002437277 0.001027891 0.002093684 -0.000260816 -0.001193764 -0.001177306 0.001021349 0.000222728 0.000811438 -0.001823196 -0.000368712 -0.001982249 0.000313185 -0.001184240 0.001221941 -0.001295885 0.001153058 0.000602422 -0.000224303 -0.000388520 0.001949509 0.000060727 0.000110822 -0.001069587 0.001378043 0.000839839 -0.000211899 -0.001534307 -0.000133070 0.001333952 0.001560612 0.000001591 -0.001270871 0.001008938 -0.001218362 -0.000421258 -0.000706711 -0.001781745 -0.000030133 -0.000195203 -0.000059757 0.000533098 0.000362242 0.000822474 0.000551483 0.000618992 0.000968491 -0.000397118 -0.000347503 -0.000690552 -0.000069366 -0.000675098 -0.000979001 0.000120548 0.000423457 0.001106914 -0.000176829 -0.001274992 0.000714137 0.000161157 0.001549556 0.001609977 0.000036146 0.000244532 0.018330061 0.004026384 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1091.03897550850 -1091.03897693544 -0.000001426937 -1091.03897694296 -0.000000007523 -1091.03897695112 -0.000000008164 -1091.03897695182 -0.000000000695 -1091.03897695196 -0.000000000145 -1091.03897695188 0.000000000080 -1091.03897695192 -0.000000000035 -1091.03897695 8 1.086279786723e+03 -6.780616545642e+03 2.482054271627e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830119088 LenY= 2829610006 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) PT99433S Thu Jul 8 08:53:34 2021 5.74190832e-01 -1.77576451e+00 5.84376408e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1091.038977 4.473E-9 4.719E-6 2.6691871,-7.4152728,4.7460857,7.3673497,-7.0614614,9.5433914 C01 [X(C20H23N3O2)] 0.4606027 -1.6208838 0.9925278 -0.000011541 0.000006432 -0.000001648 0.000001235 0.000006693 0.000004077 -0.000024731 0.000004458 0.000001758 0.000022758 -0.000001612 0.000000298 -0.000004584 0.000004984 -0.000006059 -0.000005143 0.000005096 -0.000002441 0.000013702 -0.000019398 0.000002290 0.000003982 -0.000003941 -0.000003622 -0.000001602 -0.000001043 0.000001471 -0.000000107 0.000000042 -0.000002946 0.000003808 -0.000000384 0.000003194 -0.000004176 -0.000000454 -0.000002749 0.000021196 -0.000010951 -0.000006004 -0.000003544 0.000000920 -0.000003419 -0.000000389 -0.000001701 0.000001568 -0.000013011 -0.000000744 -0.000002266 0.000000244 0.000001279 0.000000953 0.000003359 0.000001282 0.000000373 0.000000374 -0.000000345 -0.000000377 0.000000155 0.000001845 0.000001965 -0.000002412 0.000000031 -0.000000425 -0.000001353 0.000002115 -0.000000074 0.000001791 0.000001003 0.000000749 0.000000388 0.000002779 0.000001570 0.000000753 0.000001761 0.000000743 -0.000000550 0.000000169 0.000000057 0.000001335 0.000001370 0.000000310 0.000001048 -0.000000326 0.000002342 0.000000848 -0.000000448 0.000002287 0.000000676 -0.000001463 0.000001188 0.000000573 0.000000748 0.000001850 -0.000000234 0.000001107 -0.000001417 -0.000000310 0.000001181 0.000001585 -0.000000813 -0.000000836 0.000000011 0.000000498 -0.000001124 0.000001711 -0.000000447 -0.000002071 -0.000000114 0.000000708 -0.000002140 -0.000000306 -0.000002468 -0.000000765 -0.000002696 -0.000000652 -0.000000157 0.000000193 0.000001299 -0.000002170 0.000001270 -0.000001459 -0.000000620 -0.000003767 -0.000001228 0.000001141 -0.000000221 -0.000000204 -0.000001846 0.000002127 0.000001025 -0.000000182 0.000000855 -0.000000264 0.000002358 0.000000807 0.000000036 0.000000314 0.000000896 -0.000000685 0.000003316 0.000000847 0.000000115 0.000002295 0.000001208 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-CIBELES28 PAULAPLA Optimization bitertanol_RR CONF9 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_RR CONF9 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_RR/octanol/CONF9/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 1.4251 0.9656 1.4087 1.3812 1.3585 1.4643 1.3446 1.3215 1.3256 1.3615 1.5583 1.5395 1.5407 1.5397 1.5539 1.0933 1.0906 1.0926 1.0942 1.0933 1.0937 1.0944 1.094 1.0924 1.0941 1.0949 1.3945 1.3958 1.0783 1.3947 1.0817 1.388 1.0838 1.0794 1.4002 1.4052 1.4844 1.0841 1.0842 1.404 1.4042 1.3934 1.0843 1.3933 1.0845 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 48 109.995 119.8064 120.8987 109.8929 129.0596 102.5845 103.0717 110.7733 111.3844 107.5244 109.1562 108.7945 109.149 112.3467 110.7691 104.8294 113.5355 108.5472 106.2209 109.3752 106.8073 111.804 112.0681 105.6017 111.2534 112.3666 109.3074 111.5246 107.5275 107.92 108.0238 109.5037 112.1592 112.3636 107.0025 107.2778 108.2793 111.4437 110.1979 110.9936 108.0896 108.0838 107.9067 124.6862 115.153 120.1581 109.8671 122.9999 127.1288 119.1879 121.715 119.0844 119.9267 119.0193 121.0473 114.5792 121.8817 123.5378 117.6887 121.1849 121.1264 121.8051 118.3931 119.78 121.2287 118.9439 119.8083 120.9285 120.8765 118.1949 120.8941 119.6522 119.4411 120.9061 119.6004 119.4821 120.2989 119.6271 120.0718 120.2874 119.6288 120.0815 119.4185 120.2996 120.2819 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 63.4045 -64.7402 -178.9111 81.2055 -157.3105 -35.3938 -13.8279 166.7731 -176.403 -0.4517 -141.362 100.3883 -20.8982 43.5429 -74.7068 164.0067 0.7109 -179.9896 176.236 -4.4646 0.0547 -179.5399 -0.6259 -179.889 0.3555 179.9425 -179.2621 -52.5903 65.2826 -57.5638 69.108 -173.0191 61.9789 -171.3493 -53.4764 67.6382 -173.0716 -53.6912 -55.3596 63.9307 -176.689 -174.3742 -55.084 64.2963 -179.7903 61.5765 -60.6837 -57.1578 -175.7911 61.9487 61.6361 -56.9972 -179.2573 -59.441 -179.4379 61.0848 -179.4637 60.5394 -58.9379 61.5171 -58.4797 -177.957 -148.0924 -28.3295 89.6445 84.4111 -155.826 -37.8519 -34.8008 84.962 -157.0639 179.8558 -1.4532 -0.7733 177.9177 179.8767 -1.0505 0.4482 179.521 0.4734 178.7723 -178.2524 0.0465 0.1952 178.6029 -178.8585 -0.4508 0.1511 -178.1247 -179.8702 1.854 -0.488 -178.8821 179.5333 1.1392 -141.3891 38.6941 38.5888 -141.328 -179.8961 1.3974 0.023 -178.6836 -179.9995 1.2375 0.0814 -178.6816 -0.0871 -179.5482 178.6222 -0.839 -0.1224 -179.565 178.642 -0.8006 0.0466 -179.9595 179.5053 -0.5008 0.0571 -179.9367 179.4972 -0.4967 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00210 0.00283 0.00364 0.00423 0.00450 0.00555 0.00570 0.00681 0.00703 0.00781 0.01501 0.01613 0.01708 0.01743 0.01774 0.01809 0.02148 0.02168 0.02303 0.02356 0.02357 0.02457 0.02493 0.02626 0.02721 0.02829 0.02836 0.02897 0.03015 0.03378 0.03624 0.04407 0.04477 0.04523 0.04544 0.04556 0.04674 0.04679 0.04786 0.05053 0.05218 0.05738 0.05800 0.06441 0.06857 0.07278 0.07363 0.08119 0.10841 0.10842 0.11073 0.11551 0.11629 0.11766 0.11809 0.11908 0.11930 0.12046 0.12199 0.12426 0.12638 0.12847 0.13319 0.14277 0.14417 0.14494 0.14595 0.15398 0.15478 0.16257 0.17488 0.17741 0.17976 0.18448 0.18556 0.19257 0.19351 0.19403 0.19515 0.19579 0.20177 0.20868 0.21566 0.23124 0.23382 0.24222 0.25233 0.27259 0.27366 0.27897 0.28395 0.29630 0.30364 0.31197 0.32166 0.32773 0.32911 0.33026 0.33048 0.33148 0.33232 0.33321 0.33404 0.33881 0.33982 0.34099 0.34167 0.35077 0.35342 0.35489 0.35556 0.35623 0.35709 0.35806 0.35880 0.35998 0.36186 0.36291 0.36902 0.37388 0.37593 0.38447 0.40181 0.40262 0.40768 0.41263 0.42676 0.44634 0.45443 0.45704 0.45935 0.46427 0.49771 0.49850 0.50233 0.51899 0.55373 0.59337 Angle between quadratic step and forces= 63.56 degrees. 1 2 0.00014655 0.00000001 0.00000001 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 2.69296 1.82472 2.66213 2.61014 2.56712 2.76709 2.54097 2.49732 2.50504 2.57282 2.94470 2.90924 2.91152 2.90955 2.93636 2.06612 2.06100 2.06473 2.06769 2.06604 2.06688 2.06803 2.06733 2.06443 2.06760 2.06903 2.63519 2.63774 2.03763 2.63563 2.04416 2.62289 2.04809 2.03983 2.64606 2.65544 2.80503 2.04863 2.04875 2.65326 2.65348 2.63310 2.04912 2.63293 2.04932 2.63651 2.05005 2.63658 2.05002 2.04942 1.91978 2.09102 2.11008 1.91799 2.25252 1.79044 1.79894 1.93336 1.94402 1.87665 1.90513 1.89882 1.90501 1.96082 1.93329 1.82962 1.98157 1.89451 1.85390 1.90896 1.86414 1.95135 1.95596 1.84310 1.94174 1.96117 1.90777 1.94647 1.87671 1.88356 1.88537 1.91120 1.95755 1.96111 1.86755 1.87235 1.88983 1.94506 1.92332 1.93720 1.88652 1.88642 1.88333 2.17619 2.00980 2.09715 1.91754 2.14675 2.21882 2.08022 2.12433 2.07841 2.09312 2.07728 2.11267 1.99978 2.12724 2.15614 2.05406 2.11508 2.11406 2.12590 2.06635 2.09056 2.11584 2.07596 2.09105 2.11060 2.10969 2.06289 2.11000 2.08833 2.08464 2.11021 2.08742 2.08536 2.09961 2.08789 2.09565 2.09941 2.08792 2.09582 2.08425 2.09962 2.09932 1.10662 -1.12993 -3.12259 1.41730 -2.74559 -0.61774 -0.24134 2.91074 -3.07881 -0.00788 -2.46723 1.75211 -0.36474 0.75997 -1.30388 2.86246 0.01241 -3.14141 3.07590 -0.07792 0.00095 -3.13356 -0.01092 -3.13966 0.00620 3.14059 -3.12871 -0.91787 1.13940 -1.00468 1.20616 -3.01975 1.08174 -2.99061 -0.93334 1.18051 -3.02067 -0.93709 -0.96621 1.11580 -3.08380 -3.04340 -0.96140 1.12218 -3.13793 1.07471 -1.05913 -0.99759 -3.06813 1.08121 1.07575 -0.99479 -3.12863 -1.03744 -3.13178 1.06613 -3.13223 1.05661 -1.02866 1.07368 -1.02066 -3.10594 -2.58470 -0.49444 1.56459 1.47325 -2.71968 -0.66064 -0.60739 1.48287 -2.74128 3.13908 -0.02536 -0.01350 3.10525 3.13944 -0.01833 0.00782 3.13323 0.00826 3.12016 -3.11109 0.00081 0.00341 3.11721 -3.12167 -0.00787 0.00264 -3.10886 -3.13933 0.03236 -0.00852 -3.12208 3.13345 0.01988 -2.46771 0.67534 0.67350 -2.46664 -3.13978 0.02439 0.00040 -3.11862 -3.14158 0.02160 0.00142 -3.11858 -0.00152 -3.13371 3.11755 -0.01464 -0.00214 -3.13400 3.11789 -0.01397 0.00081 -3.14089 3.13296 -0.00874 0.00100 -3.14049 3.13282 -0.00867 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -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 -0.00001 -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 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00006 0.00000 -0.00002 -0.00002 -0.00001 0.00001 0.00000 0.00000 0.00002 0.00000 -0.00003 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 0.00001 -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 -0.00004 0.00001 0.00002 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00004 -0.00003 -0.00002 0.00006 0.00003 -0.00000 0.00001 -0.00001 0.00000 -0.00002 -0.00001 0.00002 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00003 -0.00002 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00005 -0.00007 -0.00005 0.00004 0.00002 0.00004 -0.00016 -0.00016 -0.00005 0.00018 0.00032 0.00034 0.00032 0.00004 0.00005 0.00004 -0.00018 -0.00002 0.00008 0.00024 -0.00013 -0.00006 0.00009 -0.00008 0.00003 -0.00004 -0.00001 -0.00003 0.00002 -0.00001 -0.00003 0.00002 -0.00002 -0.00004 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00003 0.00003 0.00003 0.00003 0.00004 0.00003 0.00002 0.00002 0.00002 -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 -0.00005 -0.00004 -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 -0.00001 -0.00002 -0.00002 -0.00008 -0.00008 -0.00009 0.00003 0.00007 0.00004 0.00008 -0.00004 -0.00004 -0.00004 -0.00005 0.00000 0.00001 -0.00004 -0.00003 0.00001 -0.00002 0.00001 -0.00002 -0.00004 -0.00005 -0.00004 -0.00005 0.00003 0.00006 0.00004 0.00007 0.00007 0.00006 0.00007 0.00006 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00006 0.00000 -0.00002 -0.00002 -0.00001 0.00001 0.00000 0.00000 0.00002 0.00000 -0.00003 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 0.00001 -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 -0.00004 0.00001 0.00002 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00004 -0.00003 -0.00002 0.00006 0.00003 -0.00000 0.00001 -0.00001 0.00000 -0.00002 -0.00001 0.00002 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00003 -0.00002 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00005 -0.00007 -0.00005 0.00004 0.00002 0.00004 -0.00016 -0.00016 -0.00005 0.00018 0.00032 0.00034 0.00032 0.00004 0.00005 0.00004 -0.00018 -0.00002 0.00008 0.00024 -0.00013 -0.00006 0.00009 -0.00008 0.00003 -0.00004 -0.00001 -0.00003 0.00002 -0.00001 -0.00003 0.00002 -0.00002 -0.00004 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00003 0.00003 0.00003 0.00003 0.00004 0.00003 0.00002 0.00002 0.00002 -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 -0.00005 -0.00004 -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 -0.00001 -0.00002 -0.00002 -0.00008 -0.00008 -0.00009 0.00003 0.00007 0.00004 0.00008 -0.00004 -0.00004 -0.00004 -0.00005 0.00000 0.00001 -0.00004 -0.00003 0.00001 -0.00002 0.00001 -0.00002 -0.00004 -0.00005 -0.00004 -0.00005 0.00003 0.00006 0.00004 0.00007 0.00007 0.00006 0.00007 0.00006 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 2.69302 1.82472 2.66212 2.61013 2.56711 2.76711 2.54097 2.49733 2.50506 2.57282 2.94466 2.90924 2.91151 2.90955 2.93637 2.06611 2.06101 2.06473 2.06769 2.06604 2.06688 2.06804 2.06734 2.06443 2.06760 2.06903 2.63519 2.63775 2.03763 2.63564 2.04416 2.62289 2.04809 2.03983 2.64606 2.65544 2.80502 2.04863 2.04875 2.65326 2.65348 2.63310 2.04912 2.63293 2.04932 2.63651 2.05005 2.63658 2.05002 2.04942 1.91973 2.09103 2.11010 1.91801 2.25250 1.79044 1.79894 1.93336 1.94402 1.87667 1.90513 1.89882 1.90500 1.96078 1.93326 1.82960 1.98162 1.89453 1.85390 1.90897 1.86413 1.95135 1.95594 1.84309 1.94176 1.96117 1.90778 1.94647 1.87671 1.88356 1.88537 1.91121 1.95754 1.96113 1.86754 1.87234 1.88983 1.94507 1.92331 1.93722 1.88652 1.88641 1.88333 2.17617 2.00981 2.09715 1.91753 2.14678 2.21880 2.08022 2.12433 2.07841 2.09311 2.07729 2.11267 1.99979 2.12723 2.15614 2.05406 2.11507 2.11405 2.12589 2.06635 2.09056 2.11584 2.07596 2.09105 2.11059 2.10970 2.06289 2.11000 2.08833 2.08464 2.11021 2.08742 2.08536 2.09961 2.08788 2.09565 2.09941 2.08791 2.09582 2.08425 2.09962 2.09931 1.10657 -1.13000 -3.12263 1.41735 -2.74556 -0.61769 -0.24150 2.91057 -3.07886 -0.00770 -2.46691 1.75244 -0.36442 0.76000 -1.30382 2.86250 0.01223 -3.14143 3.07598 -0.07768 0.00082 -3.13362 -0.01083 -3.13973 0.00623 3.14054 -3.12873 -0.91791 1.13941 -1.00469 1.20613 -3.01974 1.08172 -2.99064 -0.93333 1.18051 -3.02068 -0.93710 -0.96621 1.11579 -3.08381 -3.04339 -0.96139 1.12219 -3.13790 1.07474 -1.05910 -0.99756 -3.06810 1.08124 1.07577 -0.99477 -3.12861 -1.03748 -3.13182 1.06609 -3.13228 1.05656 -1.02871 1.07363 -1.02070 -3.10598 -2.58474 -0.49449 1.56454 1.47324 -2.71970 -0.66067 -0.60747 1.48278 -2.74137 3.13911 -0.02529 -0.01346 3.10533 3.13940 -0.01837 0.00778 3.13319 0.00826 3.12018 -3.11113 0.00078 0.00341 3.11719 -3.12166 -0.00789 0.00260 -3.10891 -3.13937 0.03231 -0.00848 -3.12202 3.13349 0.01995 -2.46763 0.67540 0.67357 -2.46658 -3.13979 0.02439 0.00040 -3.11861 -3.14158 0.02161 0.00142 -3.11858 -0.00152 -3.13371 3.11754 -0.01465 -0.00214 -3.13400 3.11789 -0.01397 0.00081 -3.14089 3.13296 -0.00874 0.00100 -3.14049 3.13282 -0.00867 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.000765 0.000147 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.397828e-09 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 1.4251 0.9656 1.4087 1.3812 1.3585 1.4643 1.3446 1.3215 1.3256 1.3615 1.5583 1.5395 1.5407 1.5397 1.5539 1.0933 1.0906 1.0926 1.0942 1.0933 1.0937 1.0944 1.094 1.0924 1.0941 1.0949 1.3945 1.3958 1.0783 1.3947 1.0817 1.388 1.0838 1.0794 1.4002 1.4052 1.4844 1.0841 1.0842 1.404 1.4042 1.3934 1.0843 1.3933 1.0845 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 48 109.995 119.8064 120.8987 109.8929 129.0596 102.5845 103.0717 110.7733 111.3844 107.5244 109.1562 108.7945 109.149 112.3467 110.7691 104.8294 113.5355 108.5472 106.2209 109.3752 106.8073 111.804 112.0681 105.6017 111.2534 112.3666 109.3074 111.5246 107.5275 107.92 108.0238 109.5037 112.1592 112.3636 107.0025 107.2778 108.2793 111.4437 110.1979 110.9936 108.0896 108.0838 107.9067 124.6862 115.153 120.1581 109.8671 122.9999 127.1288 119.1879 121.715 119.0844 119.9267 119.0193 121.0473 114.5792 121.8817 123.5378 117.6887 121.1849 121.1264 121.8051 118.3931 119.78 121.2287 118.9439 119.8083 120.9285 120.8765 118.1949 120.8941 119.6522 119.4411 120.9061 119.6004 119.4821 120.2989 119.6271 120.0718 120.2874 119.6288 120.0815 119.4185 120.2996 120.2819 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 63.4045 -64.7402 -178.9111 81.2055 -157.3105 -35.3938 -13.8279 166.7731 -176.403 -0.4517 -141.362 100.3883 -20.8982 43.5429 -74.7068 164.0067 0.7109 -179.9896 176.236 -4.4646 0.0547 -179.5399 -0.6259 -179.889 0.3555 179.9425 -179.2621 -52.5903 65.2826 -57.5638 69.108 -173.0191 61.9789 -171.3493 -53.4764 67.6382 -173.0716 -53.6912 -55.3596 63.9307 -176.689 -174.3742 -55.084 64.2963 -179.7903 61.5765 -60.6837 -57.1578 -175.7911 61.9487 61.6361 -56.9972 -179.2573 -59.441 -179.4379 61.0848 -179.4637 60.5394 -58.9379 61.5171 -58.4797 -177.957 -148.0924 -28.3295 89.6445 84.4111 -155.826 -37.8519 -34.8008 84.962 -157.0639 179.8558 -1.4532 -0.7733 177.9177 179.8767 -1.0505 0.4482 179.521 0.4734 178.7723 -178.2524 0.0465 0.1952 178.6029 -178.8585 -0.4508 0.1511 -178.1247 -179.8702 1.854 -0.488 -178.8821 179.5333 1.1392 -141.3891 38.6941 38.5888 -141.328 -179.8961 1.3974 0.023 -178.6836 -179.9995 1.2375 0.0814 -178.6816 -0.0871 -179.5482 178.6222 -0.839 -0.1224 -179.565 178.642 -0.8006 0.0466 -179.9595 179.5053 -0.5008 0.0571 -179.9367 179.4972 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 90 90 2121.2999014223 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 -0.0528316299 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 3.567712 0.000000 2.691155 2.344642 0.000000 3.198614 3.529566 1.358463 0.000000 4.054218 4.165394 2.185577 2.257617 0.000000 2.479431 3.187245 3.853854 4.568023 5.847780 0.000000 1.425055 2.380109 2.503653 3.402431 4.352524 1.558266 0.000000 2.452686 1.408740 1.464282 2.456116 3.614201 2.603154 1.553856 0.000000 3.821663 2.940837 4.454502 5.322518 6.541873 1.539502 2.549498 3.005700 0.000000 2.975319 4.090490 4.270649 4.546635 6.281941 1.540709 2.559840 3.184413 2.510083 0.000000 2.940604 4.400875 4.990914 5.732258 6.742597 1.539669 2.498727 3.911879 2.503590 2.510108 0.000000 4.812735 1.381229 3.082261 4.012911 4.708836 4.250061 3.662461 2.413862 3.685455 4.908347 5.577382 0.000000 3.313702 2.926962 1.344625 2.212804 1.325610 4.786563 3.279297 2.536429 5.351442 5.432653 5.704068 3.646176 0.000000 5.310766 2.458574 3.193461 3.674347 4.657014 4.969305 4.376027 2.890133 4.571112 5.247488 6.428156 1.394481 3.901913 0.000000 5.901101 2.344154 4.367943 5.379692 5.819987 5.033384 4.633132 3.640305 4.117866 5.858270 6.205947 1.395834 4.717140 2.418407 0.000000 3.926162 4.370336 2.091446 1.321527 1.361477 5.667893 4.334873 3.496998 6.456762 5.763922 6.691713 4.822699 2.104101 4.479469 6.103952 0.000000 7.547303 4.190675 5.511732 6.075487 6.711878 6.789830 6.426138 5.097306 5.923914 7.186012 8.163191 2.812888 5.954971 2.442213 2.433805 6.729411 0.000000 6.701798 3.704307 4.530789 4.881771 5.748632 6.204470 5.735648 4.276670 5.606278 6.412458 7.669076 2.405571 5.118169 1.394716 2.775968 5.569820 1.400236 0.000000 7.172635 3.629808 5.414623 6.255780 6.714411 6.255694 5.931125 4.810999 5.248164 6.918716 7.484391 2.409959 5.755371 2.788869 1.387971 6.931467 1.405197 2.400793 0.000000 9.009165 5.674607 6.912637 7.367086 7.971195 8.199893 7.897628 6.556618 7.265063 8.514540 9.577318 4.297228 7.319073 3.802686 3.795198 7.956740 1.484355 2.513249 2.516807 0.000000 9.959577 6.494536 7.834923 8.397489 8.710206 9.181698 8.818647 7.527732 8.181677 9.649920 10.479086 5.164167 8.054803 4.890864 4.394738 8.869489 2.513360 3.705572 3.038344 1.404044 0.000000 9.630005 6.521575 7.561975 7.809600 8.676134 8.762703 8.575374 7.205522 7.866513 8.843872 10.202344 5.157696 8.120611 4.397753 4.880100 8.459304 2.512815 3.036237 3.708873 1.404162 2.409560 0.000000 11.310689 7.870171 9.151494 9.635502 9.962946 10.495386 10.176922 8.868476 9.463072 10.895304 11.805388 6.526428 9.375900 6.157617 5.769843 10.080709 3.795260 4.882671 4.397854 2.433482 1.393375 2.783221 0.000000 11.021458 7.892491 8.918453 9.127062 9.932289 10.131216 9.966897 8.596543 9.192543 10.188605 11.560859 6.521293 9.431857 5.773451 6.147821 9.720886 3.794930 4.396023 4.885539 2.433652 2.783490 1.393287 2.409444 0.000000 11.800039 8.492367 9.641689 9.968493 10.525711 10.930660 10.700956 9.348917 9.923349 11.144826 12.307105 7.115381 10.004292 6.535834 6.529000 10.472425 4.302526 5.168415 5.170669 2.818171 2.418590 2.418404 1.395182 1.395217 0.000000 2.005924 2.394415 2.915246 4.047149 4.467651 2.169666 1.093343 2.135184 2.812686 3.489255 2.652140 3.771189 3.279095 4.735755 4.508241 4.769521 6.570296 6.056765 5.879396 8.051115 8.827373 8.879085 10.210981 10.255771 10.865144 0.000000 2.969265 2.077352 2.047590 2.490465 4.197683 2.719062 2.198313 1.090636 3.041678 2.781588 4.200224 2.595220 3.329814 2.658772 3.883839 3.742557 4.929595 3.966366 4.868048 6.318746 7.434374 6.771044 8.715172 8.156612 9.039565 3.030525 0.000000 4.188211 2.580237 4.195996 4.976313 6.342414 2.200915 2.883282 2.749719 1.092608 2.742826 3.476450 2.965507 5.195825 3.685129 3.460847 6.162209 4.982173 4.627243 4.455832 6.294231 7.289627 6.822421 8.545987 8.151699 8.934052 3.298737 2.527085 0.000000 4.627996 4.007621 5.497597 6.279831 7.602017 2.163607 3.492566 4.050516 1.094176 2.767044 2.686073 4.623842 6.430476 5.445051 4.912946 7.455541 6.597221 6.362284 5.919686 7.844099 8.763511 8.356150 9.985121 9.630377 10.383610 3.761988 3.948861 1.763832 0.000000 4.104561 2.775585 4.605864 5.675639 6.541520 2.190995 2.760227 3.235252 1.093300 3.477356 2.794710 3.581333 5.264998 4.719550 3.745644 6.680687 5.855309 5.724162 4.959382 7.208266 7.967548 7.980216 9.277941 9.289412 9.880650 2.585290 3.574349 1.767540 1.769972 0.000000 3.978013 4.883653 5.324517 5.601434 7.366737 2.166862 3.504443 4.153529 2.713804 1.093744 2.750678 5.596771 6.487366 5.956440 6.396638 6.838829 7.679423 7.006823 7.384002 8.937000 10.078922 9.193915 11.278377 10.495548 11.473670 4.311691 3.693391 3.013454 2.517688 3.742119 0.000000 2.700411 4.740846 4.413405 4.486763 6.204388 2.200755 2.844537 3.621025 3.482385 1.094357 2.753404 5.657125 5.518783 5.914732 6.711181 5.604173 8.019213 7.137679 7.805819 9.363634 10.513923 9.674409 11.768104 11.024715 12.006530 3.799214 3.296809 3.783250 3.752471 4.349732 1.758948 0.000000 3.345334 3.823256 3.917188 4.032852 5.979509 2.203000 2.840366 2.888923 2.795840 1.093985 3.484719 4.393294 5.199431 4.484418 5.439129 5.327050 6.453608 5.579676 6.368905 7.730804 8.935096 7.960629 10.141496 9.294656 10.308736 3.855649 2.151305 2.581417 3.178713 3.790493 1.761771 1.773536 0.000000 2.608243 4.969188 5.072066 5.659389 6.616015 2.189491 2.739582 4.241276 3.471482 2.777779 1.092450 6.215988 5.727059 6.964883 6.982876 6.518084 8.887269 8.271023 8.284470 10.325388 11.258034 10.927265 12.597148 12.302723 13.083695 2.972041 4.547918 4.345090 3.707316 3.795667 3.136720 2.571983 3.787892 0.000000 3.938426 5.175057 5.927863 6.604564 7.767592 2.175076 3.465551 4.751164 2.744267 2.734990 1.094128 6.226682 6.725382 7.050757 6.758045 7.638994 8.642666 8.208798 7.960780 9.998708 10.921323 10.550052 12.206785 11.876362 12.651895 3.676168 4.870062 3.731179 2.467987 3.157079 2.521026 3.056800 3.755666 1.769984 0.000000 3.317372 4.362898 5.194945 6.127424 6.811515 2.185690 2.747642 4.154487 2.743426 3.475263 1.094883 5.586635 5.692666 6.616123 6.039653 6.975783 8.196250 7.839900 7.362117 9.618165 10.397266 10.373120 11.742601 11.721653 12.357720 2.440957 4.661647 3.781007 3.007762 2.585969 3.747127 3.779385 4.347788 1.770530 1.769900 0.000000 0.965598 3.978972 2.841882 2.948877 4.247282 2.690962 1.975904 2.669796 4.088910 2.644349 3.313275 5.076655 3.695852 5.350000 6.271800 3.800603 7.679621 6.712361 7.460596 9.102510 10.148739 9.591597 11.464305 10.973997 11.845429 2.828372 2.839211 4.325026 4.813470 4.587010 3.672080 2.149889 2.888700 2.911780 4.162955 3.929889 0.000000 3.644945 2.816418 2.133069 3.239094 2.155333 4.889775 3.400236 2.865134 5.294281 5.802555 5.664042 3.612928 1.078269 4.190306 4.425253 3.161725 5.959906 5.352856 5.532717 7.334453 7.924137 8.285223 9.272316 9.582189 10.031367 3.050821 3.833682 5.238750 6.378040 4.989040 6.804290 5.984631 5.687022 5.779497 6.698968 5.447741 4.242444 0.000000 4.864219 2.757730 2.654611 2.791105 4.093249 4.864205 4.171082 2.639717 4.782603 4.922426 6.347584 2.168101 3.534527 1.081722 3.409106 3.656661 3.409713 2.140584 3.870023 4.653266 5.796786 5.052854 7.002628 6.399968 7.267519 4.709999 2.230837 3.954280 5.673619 5.090798 5.722313 5.432721 4.084826 6.736859 7.011346 6.662833 4.754535 4.088930 0.000000 5.903559 2.526917 4.751845 5.914139 6.188539 4.915591 4.583405 3.916019 3.913156 5.965375 5.875272 2.142596 4.981466 3.393090 1.083801 6.614922 3.419816 3.859601 2.157022 4.672190 5.081488 5.810802 6.430414 7.021354 7.293365 4.238950 4.343074 3.510551 4.662190 3.279617 6.451280 6.828114 5.737898 6.707522 6.410659 5.539290 6.406724 4.491155 4.298798 0.000000 4.734558 5.403922 3.132743 2.102016 2.154691 6.548899 5.286140 4.482950 7.397792 6.470593 7.555321 5.765052 3.146028 5.252436 7.056907 1.079434 7.450479 6.220856 7.790982 8.582911 9.518079 8.970926 10.661770 10.175278 10.967296 5.783280 4.584295 7.073553 8.360622 7.690494 7.524216 6.203288 5.986806 7.297800 8.473911 7.908597 4.468095 4.175177 4.342763 7.628069 0.000000 7.268784 4.585601 5.007112 5.078724 6.047083 6.911849 6.435341 4.931397 6.426267 6.923910 8.418169 3.379738 5.625323 2.135050 3.859694 5.697693 2.154943 1.084086 3.389741 2.727413 3.979030 2.801185 4.947551 4.060403 4.987253 6.863287 4.482215 5.415601 7.150722 6.654292 7.517720 7.574220 5.992841 8.952792 8.946854 8.679174 7.161177 6.008693 2.436056 4.943294 6.180903 0.000000 8.031496 4.478760 6.395544 7.298780 7.642682 6.979014 6.740524 5.743829 5.838866 7.728046 8.100892 3.386035 6.653611 3.872795 2.135024 7.946240 2.159763 3.389310 1.084152 2.731521 2.800460 3.984808 4.059982 4.952303 4.989394 6.581257 5.852627 5.128304 6.407415 5.428859 8.113591 8.657920 7.246248 8.963558 8.516610 7.883820 8.378194 6.313915 4.954100 2.471709 8.821534 4.296183 0.000000 9.741914 6.219477 7.654737 8.354293 8.436947 9.035072 8.588825 7.368657 8.036220 9.666436 10.249328 4.979819 7.729121 4.952174 4.053510 8.758106 2.723733 3.974242 2.796152 2.157217 1.084346 3.395853 2.145368 3.867629 3.396382 8.467833 7.432122 7.238997 8.667301 7.685645 10.137910 10.523109 9.040350 11.030626 10.741014 10.060448 10.029814 7.465474 5.915874 4.585019 9.472216 4.448614 2.375111 0.000000 9.133148 6.268040 7.158501 7.281067 8.393114 8.249533 8.134756 6.771197 7.437654 8.166752 9.726831 4.966668 7.864252 4.051060 4.938055 8.021466 2.721891 2.793694 3.976897 2.156854 3.395589 1.084451 3.867477 2.145814 3.396630 8.560303 6.199592 6.359022 7.896488 7.693014 8.491904 8.966418 7.228438 10.411852 10.041730 10.003833 9.001207 8.145228 4.550896 5.921354 8.489594 2.379011 4.455383 4.297684 0.000000 12.071092 8.579472 9.908217 10.455762 10.612995 11.281419 10.925230 9.652023 10.221057 11.773415 12.538713 7.276550 10.025637 7.020100 6.412370 10.834070 4.659905 5.803728 5.066597 3.411560 2.147764 3.868022 1.084840 3.395000 2.154122 10.874317 9.581146 9.354364 10.747153 9.946787 12.164526 12.652775 11.061968 13.344773 12.954528 12.401115 12.282799 9.837389 7.893855 6.959659 11.429889 5.925157 4.569697 2.462696 4.952308 0.000000 11.584891 8.615639 9.524877 9.612491 10.567488 10.668632 10.573767 9.203533 9.766524 10.582779 12.122334 7.268181 10.122817 6.413557 7.008731 10.237078 4.659318 5.065247 5.806510 3.411701 3.868274 2.147690 3.395044 1.084824 2.154243 10.948363 8.660415 8.700119 10.147675 9.961338 10.839767 11.395111 9.642898 12.843296 12.390277 12.362224 11.457464 10.356544 6.925073 7.909596 10.617076 4.572166 5.930677 4.952444 2.463351 4.295341 0.000000 12.877202 9.576781 10.704214 10.998075 11.541521 11.992294 11.781630 10.427170 10.967603 12.179416 13.367361 8.199885 11.055298 7.604172 7.597494 11.478046 5.387034 6.228470 6.230527 3.902679 3.402169 3.401896 2.156260 2.156105 1.084508 11.948578 10.100826 9.975937 11.395818 10.928579 12.482031 13.043125 11.331284 14.151436 13.690470 13.420643 12.909603 11.085317 8.309141 8.336397 11.935361 5.984480 5.986266 4.291462 4.291702 2.485951 2.485847 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4124259 0.0997980 0.0885974 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= 1.19D-06 NBF= 688 NBsUse= 685 1.00D-06 EigRej= 7.17D-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= 706 706 706 706 706 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1091.03897695189 -1091.03897695 1 1.086279788054e+03 -6.780616543321e+03 2.482054267976e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830119088 LenY= 2829610006 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. 14942 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 2831155200 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 1.23D+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= 5.17D+01 1.22D+00. 144 vectors produced by pass 2 Test12= 5.36D-14 1.00D-09 XBig12= 4.25D-01 7.85D-02. 144 vectors produced by pass 3 Test12= 5.36D-14 1.00D-09 XBig12= 1.84D-03 3.47D-03. 144 vectors produced by pass 4 Test12= 5.36D-14 1.00D-09 XBig12= 4.83D-06 1.88D-04. 122 vectors produced by pass 5 Test12= 5.36D-14 1.00D-09 XBig12= 7.60D-09 9.12D-06. 44 vectors produced by pass 6 Test12= 5.36D-14 1.00D-09 XBig12= 1.03D-11 2.68D-07. 3 vectors produced by pass 7 Test12= 5.36D-14 1.00D-09 XBig12= 1.44D-14 1.29D-08. InvSVY: IOpt=1 It= 1 EMax= 1.55D-14 Solved reduced A of dimension 889 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 364.67 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 448.534 -9.832 300.151 6.401 22.396 345.331 457.665 -11.257 327.801 7.135 27.919 410.304 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT85662.100S Thu Jul 8 10:23:03 2021 5.74191166e-01 -1.77576393e+00 5.84376551e-01 4.48534293e+02 -9.83208795e+00 3.00150882e+02 6.40052621e+00 2.23955431e+01 3.45330895e+02 -13.7450 -0.0007 -0.0003 -0.0002 3.2846 5.9919 20.3721 31.6630 40.0561 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 19.7178 31.5137 39.8679 52.6365 57.3833 61.7454 65.1022 75.8671 89.5541 142.9721 171.4566 186.0886 227.6508 239.9224 249.8712 276.3216 286.2242 296.5232 304.2616 334.3147 343.0082 348.5471 363.8279 388.5881 396.5852 416.0830 426.3729 435.0678 456.2320 471.2631 510.6618 532.6438 552.9481 561.6295 613.0033 618.4343 631.2311 653.1967 676.7804 692.6613 711.7658 731.2086 736.8008 760.8300 779.1213 812.3944 829.7290 840.8419 852.7697 859.1533 885.7776 901.0759 912.1574 936.9633 947.3194 948.1578 949.1472 964.0654 974.4850 981.0945 994.2188 1009.9494 1010.1668 1018.0734 1023.6050 1036.0185 1038.7696 1048.7702 1055.0667 1063.4734 1089.1274 1100.9165 1105.8210 1143.1401 1146.7179 1182.4889 1196.4675 1203.8010 1207.7695 1214.3708 1219.1328 1239.5396 1241.6776 1261.7751 1280.2640 1295.3582 1297.6681 1304.1439 1324.7047 1335.3577 1342.5061 1359.2762 1360.2330 1399.3196 1401.0115 1406.7037 1414.0482 1427.8952 1434.4615 1437.9440 1475.6223 1477.5361 1479.5149 1484.9648 1487.0423 1499.9901 1511.2043 1513.0285 1517.4077 1527.9204 1544.0254 1603.2736 1619.7487 1637.1255 1644.2023 3017.6941 3020.2025 3027.0569 3064.5867 3079.6483 3081.2300 3083.5419 3087.4453 3096.7121 3097.9867 3103.9404 3160.4506 3166.1700 3173.0320 3174.8388 3177.7769 3181.8065 3189.3868 3191.9716 3209.4262 3248.6388 3267.4912 3797.1379 5.4460 3.7197 3.2729 5.0726 4.4372 5.1047 4.8397 4.1377 4.7133 5.0420 5.5208 5.2560 2.2496 2.0947 2.3238 2.5204 1.6401 2.4219 2.4297 2.1091 2.3020 5.6243 3.4889 2.3710 2.5507 2.9013 3.0425 4.9280 1.1229 2.9794 3.5779 3.8833 2.9677 2.4161 6.6376 4.2979 6.2624 5.9594 3.4440 4.2226 1.7188 5.2343 3.7264 4.6277 1.9950 3.9431 1.2540 5.4308 1.7190 1.2579 1.4748 1.4246 2.4206 1.4215 1.8061 1.8460 4.2841 1.3785 1.2069 1.3588 1.3851 4.8737 1.3547 5.3105 2.9533 2.7743 2.0164 3.4271 1.6503 1.9498 4.2429 2.9616 1.6436 2.1126 1.3343 1.1034 3.5037 1.7907 1.1840 1.4806 1.4879 2.9990 2.6865 2.3044 1.6663 2.9659 3.1039 3.3625 4.9096 1.7136 1.4555 2.2878 1.8189 1.9987 1.2452 1.2945 1.2903 1.2138 1.2189 2.5322 2.3631 1.1219 1.1365 1.1970 1.4071 1.0594 1.0640 1.1052 1.9942 3.7131 2.5347 5.3756 6.2788 5.4932 5.8778 1.0357 1.0358 1.0368 1.0857 1.1021 1.1018 1.1020 1.1009 1.1015 1.1011 1.0859 1.0860 1.0881 1.0896 1.0908 1.0908 1.0940 1.0983 1.0949 1.0929 1.0964 1.1004 1.0661 0.0012 0.0022 0.0031 0.0083 0.0086 0.0115 0.0121 0.0140 0.0223 0.0607 0.0956 0.1072 0.0687 0.0710 0.0855 0.1134 0.0792 0.1255 0.1325 0.1389 0.1596 0.4026 0.2721 0.2109 0.2364 0.2959 0.3259 0.5496 0.1377 0.3899 0.5497 0.6491 0.5346 0.4490 1.4696 0.9685 1.4702 1.4981 0.9294 1.1936 0.5130 1.6489 1.1919 1.5783 0.7135 1.5333 0.5087 2.2623 0.7365 0.5470 0.6817 0.6815 1.1866 0.7353 0.9550 0.9778 2.2739 0.7548 0.6753 0.7706 0.8066 2.9289 0.8145 3.2430 1.8231 1.7545 1.2819 2.2209 1.0823 1.2992 2.9653 2.1149 1.1842 1.6266 1.0338 0.9090 2.9552 1.5289 1.0176 1.2864 1.3030 2.7149 2.4404 2.1616 1.6092 2.9321 3.0795 3.3695 5.0762 1.8003 1.5456 2.4904 1.9829 2.3058 1.4400 1.5093 1.5201 1.4581 1.4777 3.0848 3.0317 1.4430 1.4658 1.5552 1.8333 1.4044 1.4316 1.4907 2.7054 5.1073 3.5603 8.1413 9.7056 8.6744 9.3622 5.5567 5.5665 5.5971 6.0074 6.1583 6.1630 6.1733 6.1832 6.2238 6.2261 6.1641 6.3914 6.4266 6.4635 6.4779 6.4902 6.5253 6.5827 6.5729 6.6323 6.8177 6.9222 9.0564 0.6350 0.1487 0.3420 0.0981 3.0375 0.6201 0.4129 0.1540 1.0249 1.6391 0.4010 0.5981 1.0304 1.8887 8.1421 4.1579 8.6551 0.6210 1.4660 9.0496 3.1420 4.8531 8.6222 23.1992 1.6661 0.6327 0.8279 0.1427 222.4250 0.5031 7.3330 29.4092 24.7814 11.3289 16.7513 10.5474 0.1474 1.5755 61.3228 18.3978 76.3163 1.0042 6.7802 62.1310 97.5523 50.7285 1.8364 15.4308 83.6981 1.3314 27.3762 4.7329 40.6287 3.3216 1.9048 22.2666 8.0127 0.2971 0.2545 0.8827 0.1171 4.0996 0.4943 14.7462 11.2268 30.8251 10.2058 167.4786 80.5927 10.0843 167.1137 16.8198 13.4648 85.8529 20.6777 0.1286 167.1815 28.2184 3.4648 124.5048 38.6055 212.1132 216.9797 28.9586 48.7608 51.5568 7.1307 2.5803 8.9061 8.0409 5.3077 18.4837 12.6240 60.7394 25.3460 6.0142 18.4596 4.2480 9.2141 2.5247 6.7504 6.1011 1.7498 8.2707 10.3825 11.8678 19.8986 46.4993 121.5024 108.4653 97.2987 4.8958 14.0284 39.0403 48.4151 56.6811 34.4304 20.9223 16.7995 26.6775 43.7421 7.8165 133.4806 46.4543 50.6585 18.0751 4.6865 2.2941 18.2747 8.7062 2.3543 36.1394 17.5576 4.5604 1.9649 1.1351 6.4121 77.2306 -0.00 0.06 -0.03 -0.00 -0.11 0.06 0.07 -0.05 0.01 0.07 -0.03 -0.00 0.21 -0.04 -0.02 -0.13 0.01 -0.02 -0.04 0.01 -0.01 -0.01 -0.06 0.03 -0.17 -0.06 -0.01 -0.15 0.00 -0.02 -0.15 0.09 -0.05 -0.00 -0.09 0.06 0.15 -0.06 0.00 -0.01 -0.10 0.07 0.01 -0.06 0.04 0.15 -0.03 -0.02 0.00 -0.02 0.03 -0.01 -0.07 0.05 0.01 -0.02 0.03 0.00 0.04 -0.00 -0.02 0.12 -0.02 0.03 0.03 -0.01 -0.02 0.18 -0.05 0.04 0.09 -0.04 0.01 0.17 -0.06 -0.02 0.02 -0.01 -0.05 -0.07 0.04 -0.15 -0.11 -0.00 -0.23 -0.05 -0.02 -0.16 -0.06 -0.01 -0.23 0.01 -0.04 -0.12 0.06 -0.03 -0.13 -0.06 -0.00 -0.13 0.13 -0.05 -0.21 0.09 -0.06 -0.14 0.10 -0.05 -0.01 0.05 -0.02 0.17 -0.07 0.01 -0.02 -0.13 0.09 0.01 -0.06 0.04 0.18 -0.01 -0.03 -0.02 -0.07 0.06 0.02 0.01 0.01 -0.05 0.13 -0.01 0.06 -0.03 -0.00 -0.04 0.24 -0.06 0.06 0.08 -0.05 0.02 0.22 -0.08 0.00 0.01 0.03 0.00 0.01 0.01 0.00 0.00 0.03 0.00 -0.01 0.04 0.01 0.01 0.06 -0.01 -0.01 -0.06 -0.00 0.02 -0.01 0.00 0.00 0.01 -0.03 -0.01 -0.12 0.02 -0.06 -0.05 -0.03 0.03 -0.06 0.00 -0.01 0.01 0.01 0.02 0.04 0.01 0.07 -0.05 -0.01 -0.11 0.08 0.00 -0.01 0.06 0.00 -0.02 0.01 0.01 0.07 -0.05 -0.01 -0.11 0.08 0.00 -0.00 0.00 -0.00 -0.18 -0.01 0.01 0.20 0.01 -0.00 -0.16 -0.02 0.02 0.22 -0.00 0.01 0.04 -0.02 -0.01 0.06 -0.01 0.00 -0.01 0.01 -0.02 -0.04 -0.12 -0.04 -0.02 -0.15 -0.05 0.03 -0.12 0.02 -0.07 -0.09 0.03 -0.06 -0.02 0.03 -0.09 -0.05 -0.02 0.03 -0.01 -0.03 0.02 -0.10 -0.06 0.08 -0.06 0.00 -0.04 0.04 0.01 0.03 0.04 0.02 0.13 -0.10 -0.02 -0.17 0.13 0.00 -0.02 0.07 0.02 0.14 -0.10 -0.02 -0.19 0.14 -0.01 -0.33 -0.02 0.02 0.33 0.03 -0.01 -0.30 -0.04 0.02 0.38 0.00 0.01 0.05 -0.03 -0.01 -0.00 -0.14 0.01 0.01 -0.01 0.00 -0.01 0.02 -0.08 -0.05 0.04 0.03 0.01 0.08 -0.01 0.01 0.02 0.01 -0.01 -0.04 0.00 -0.01 -0.01 0.06 0.04 0.22 -0.20 0.09 0.00 0.08 -0.06 -0.09 0.01 0.00 -0.01 0.07 0.03 0.05 0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.06 -0.04 0.08 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.04 -0.02 0.02 0.04 -0.02 0.01 -0.04 -0.03 0.02 0.04 -0.03 0.01 -0.00 -0.03 0.07 -0.07 -0.04 -0.00 -0.03 -0.01 -0.01 0.10 0.30 0.06 0.05 0.27 0.18 -0.03 0.24 -0.21 0.11 0.05 -0.26 0.08 -0.14 -0.28 0.16 0.08 0.04 -0.06 -0.25 0.05 -0.03 -0.04 0.23 -0.14 -0.08 -0.04 0.07 -0.15 0.14 0.07 0.04 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.11 -0.06 0.10 0.01 0.01 -0.02 0.00 -0.01 -0.00 0.00 -0.07 -0.02 0.02 0.07 -0.01 0.00 -0.08 -0.04 0.02 0.07 -0.03 0.01 -0.01 -0.04 -0.00 -0.02 -0.04 -0.02 -0.03 -0.09 0.02 -0.04 -0.00 -0.02 -0.09 0.02 0.19 0.01 0.09 -0.01 -0.01 0.06 -0.01 -0.04 -0.01 0.00 -0.05 -0.05 -0.05 -0.05 0.01 0.09 0.05 0.07 -0.06 -0.01 0.17 -0.02 0.02 -0.12 0.15 0.02 0.03 -0.04 0.01 -0.10 0.00 0.07 -0.14 0.09 -0.06 0.08 -0.02 0.06 -0.10 -0.04 0.04 -0.10 0.00 0.09 -0.13 -0.03 0.04 -0.03 0.03 -0.03 0.02 -0.11 0.08 0.00 0.02 -0.05 0.10 -0.12 0.06 0.08 -0.06 -0.01 0.13 -0.03 -0.10 -0.01 0.04 -0.07 -0.07 -0.01 -0.04 -0.07 -0.04 -0.03 0.07 -0.13 -0.10 -0.00 0.06 0.07 0.11 0.14 0.11 0.11 0.15 0.02 -0.00 -0.04 0.01 0.22 -0.05 -0.00 0.21 -0.15 -0.04 0.17 0.01 0.04 -0.04 0.20 0.07 0.02 -0.05 -0.02 -0.09 0.02 0.08 -0.16 0.09 -0.09 0.11 -0.06 0.02 -0.08 0.01 0.12 -0.14 0.10 -0.07 -0.01 -0.15 0.12 -0.03 0.07 -0.11 0.14 -0.18 0.09 0.11 -0.07 -0.03 0.19 -0.01 -0.01 0.02 -0.02 -0.02 -0.02 -0.01 -0.01 -0.01 0.32 0.02 0.02 -0.07 -0.01 0.02 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.03 0.01 0.08 -0.10 -0.00 -0.01 0.04 -0.04 -0.07 -0.02 -0.00 -0.03 -0.24 -0.03 -0.00 -0.02 -0.02 -0.01 -0.01 0.03 -0.05 0.27 0.02 0.03 -0.01 0.01 -0.03 -0.02 -0.01 -0.02 -0.01 0.03 -0.05 -0.02 0.01 -0.01 0.01 -0.03 0.01 -0.04 0.05 0.00 0.00 -0.02 0.04 -0.04 0.05 0.03 -0.02 0.02 0.05 -0.03 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.04 0.13 0.03 0.01 0.08 0.09 0.01 0.09 -0.06 -0.00 -0.00 -0.14 -0.05 -0.07 -0.15 0.05 0.03 0.02 -0.05 -0.15 0.02 -0.03 -0.05 0.12 -0.07 -0.06 0.01 -0.02 0.02 -0.51 -0.06 -0.02 -0.02 -0.04 0.00 -0.00 0.04 -0.06 0.48 0.04 0.05 -0.03 -0.02 -0.01 -0.00 0.05 -0.06 0.03 -0.06 -0.00 -0.05 0.07 -0.01 0.02 -0.05 0.05 -0.06 0.09 0.04 -0.03 0.03 0.07 -0.04 -0.07 0.14 -0.04 -0.01 0.09 -0.03 0.00 0.01 -0.05 0.07 -0.03 0.23 -0.01 -0.10 0.02 -0.06 -0.02 -0.03 -0.02 0.06 -0.04 0.00 0.07 0.07 0.01 0.00 -0.06 -0.14 -0.03 0.08 -0.09 -0.12 -0.04 0.05 0.06 0.14 -0.04 -0.03 -0.04 0.04 0.06 -0.04 0.11 0.01 0.10 0.06 -0.10 -0.03 0.11 -0.00 -0.03 0.08 0.03 -0.03 0.14 -0.02 -0.03 0.07 -0.01 -0.03 -0.01 -0.02 -0.02 0.07 -0.01 -0.03 -0.12 -0.03 -0.02 -0.04 -0.02 -0.02 -0.13 -0.03 -0.05 0.05 0.06 -0.06 0.03 0.08 0.03 0.01 0.08 0.09 -0.02 -0.07 0.14 0.08 0.02 0.02 -0.17 -0.08 -0.13 -0.25 -0.04 -0.13 -0.08 0.04 0.05 -0.13 -0.16 0.09 -0.10 -0.16 0.16 -0.05 -0.12 -0.02 -0.14 0.15 0.21 -0.09 -0.00 -0.04 0.01 0.09 -0.04 0.12 0.00 0.12 0.10 -0.15 -0.03 0.06 0.04 -0.04 0.17 -0.04 -0.03 -0.00 -0.02 -0.02 0.13 -0.00 -0.03 -0.19 -0.03 -0.02 -0.04 -0.02 -0.02 -0.22 -0.04 0.03 0.04 -0.04 0.04 -0.06 0.06 0.03 -0.04 0.02 -0.00 -0.02 0.00 -0.16 -0.09 -0.04 -0.08 0.01 0.00 0.01 -0.00 0.00 0.02 -0.04 0.04 -0.13 -0.06 -0.01 -0.08 0.01 0.00 -0.12 0.09 0.01 0.04 0.02 0.04 -0.07 -0.08 -0.00 0.03 -0.04 0.08 0.06 0.15 -0.05 -0.12 -0.05 -0.03 0.06 0.11 -0.02 0.04 0.01 0.05 0.07 0.19 -0.07 0.06 0.08 -0.01 0.08 -0.04 -0.01 0.06 0.11 -0.01 0.08 -0.15 -0.01 0.06 0.01 -0.00 0.07 -0.13 -0.00 0.04 -0.01 0.00 -0.01 -0.04 0.05 -0.10 -0.10 -0.03 -0.18 -0.05 0.00 -0.15 -0.08 -0.01 -0.16 0.02 -0.00 -0.03 0.09 0.01 -0.03 -0.06 0.01 -0.09 0.13 0.03 -0.17 0.08 -0.01 -0.14 0.10 0.00 -0.00 0.04 -0.04 -0.08 -0.10 0.00 0.02 -0.12 0.14 0.08 0.20 -0.09 -0.17 -0.04 -0.05 0.03 -0.04 0.09 0.07 0.28 -0.14 0.09 -0.07 -0.02 0.06 0.20 -0.00 0.08 -0.25 -0.01 0.05 0.03 0.00 0.07 -0.21 0.00 0.02 0.01 0.01 0.01 -0.04 0.02 0.01 -0.03 0.02 0.03 -0.03 0.02 -0.02 -0.04 0.02 -0.04 -0.01 -0.00 0.00 -0.01 0.01 0.02 -0.03 0.02 -0.06 -0.04 0.02 -0.08 -0.02 -0.00 -0.05 0.02 -0.03 0.02 0.02 -0.01 -0.02 -0.04 0.02 0.03 0.19 -0.13 0.01 -0.11 0.09 0.01 -0.03 0.02 0.02 0.11 -0.05 0.03 0.24 -0.15 0.02 -0.06 0.07 0.02 0.08 -0.03 0.04 0.14 -0.00 -0.02 -0.05 -0.02 0.03 0.05 0.03 -0.02 -0.15 0.01 0.00 -0.11 0.03 0.01 -0.00 0.01 0.02 -0.03 0.02 -0.05 -0.05 0.02 -0.08 -0.03 0.02 -0.05 -0.05 0.02 -0.11 -0.02 -0.01 -0.07 -0.00 -0.02 -0.08 -0.04 0.02 -0.04 0.04 -0.05 -0.08 0.02 -0.05 -0.03 0.03 -0.03 0.01 -0.00 0.01 -0.04 -0.04 0.02 0.02 0.28 -0.20 0.01 -0.25 0.19 0.02 -0.03 0.02 0.04 0.36 -0.24 0.02 -0.17 0.16 0.05 0.24 -0.00 -0.05 -0.08 -0.04 0.05 0.09 0.05 -0.04 -0.27 0.01 -0.00 -0.19 0.05 0.06 0.08 0.25 -0.00 -0.02 0.00 0.07 0.00 0.02 -0.05 0.02 -0.00 -0.07 -0.04 -0.04 -0.01 0.03 0.01 0.01 0.06 0.10 0.05 0.00 0.05 0.01 0.05 0.04 -0.11 -0.06 0.00 0.02 0.06 -0.11 0.01 -0.03 -0.06 0.05 -0.03 -0.00 0.04 -0.04 -0.07 -0.01 -0.02 -0.09 -0.13 -0.01 -0.04 0.02 -0.07 -0.11 0.04 -0.06 -0.09 -0.00 -0.04 -0.12 0.01 -0.07 -0.06 0.07 -0.04 -0.01 -0.06 -0.04 -0.03 0.06 0.05 0.08 -0.08 0.05 0.06 -0.01 0.11 0.11 -0.07 0.15 0.10 0.08 -0.00 0.04 -0.02 0.02 0.13 -0.02 0.03 -0.03 0.08 0.11 0.06 -0.04 -0.08 -0.05 -0.18 -0.16 -0.02 -0.18 0.00 0.07 0.02 0.08 -0.18 -0.03 0.06 -0.14 0.12 0.08 -0.10 0.12 -0.04 0.27 0.13 -0.05 0.01 0.06 -0.03 -0.05 -0.03 -0.00 -0.09 -0.23 -0.00 -0.07 0.06 -0.07 -0.10 -0.02 -0.03 -0.14 0.13 -0.08 -0.03 -0.11 -0.08 -0.07 0.11 0.09 0.12 -0.14 0.09 0.09 -0.02 0.20 0.18 0.08 0.09 0.20 0.01 -0.06 -0.15 0.10 -0.03 -0.08 0.05 -0.11 -0.04 -0.05 -0.01 0.04 0.01 0.04 -0.00 -0.00 0.04 0.00 0.05 -0.03 -0.12 0.03 0.06 0.02 0.00 0.05 -0.00 0.03 0.02 -0.01 -0.01 -0.06 -0.09 0.04 0.02 -0.04 -0.10 -0.07 -0.03 0.06 -0.04 -0.02 -0.04 -0.10 0.03 -0.04 0.04 0.10 -0.11 -0.01 0.07 0.05 0.01 0.07 -0.05 0.11 0.09 -0.10 0.09 0.04 0.02 0.10 0.07 -0.10 -0.03 -0.04 0.03 -0.02 -0.02 -0.03 -0.12 -0.08 -0.15 0.08 0.01 0.09 -0.05 -0.14 0.01 0.04 0.07 0.02 0.05 -0.01 0.08 0.08 0.03 0.13 0.05 0.01 -0.07 -0.06 -0.02 -0.06 0.17 -0.01 0.04 0.07 -0.11 -0.02 0.06 0.07 0.09 -0.07 -0.00 0.20 0.01 0.21 0.06 0.09 -0.06 -0.15 -0.09 -0.07 0.14 -0.06 -0.05 -0.10 -0.14 0.08 -0.19 -0.01 0.10 0.11 0.03 0.12 -0.16 0.14 0.07 0.06 0.16 0.10 -0.14 -0.08 -0.08 0.09 -0.06 -0.05 -0.02 -0.25 -0.14 -0.01 -0.05 0.12 0.01 0.11 -0.12 -0.09 -0.02 -0.03 -0.04 -0.03 -0.03 0.05 0.00 -0.00 -0.08 -0.05 0.03 -0.04 -0.06 0.02 -0.01 -0.02 -0.06 -0.09 -0.07 0.04 -0.12 -0.05 0.02 -0.10 -0.03 0.02 0.02 0.17 -0.12 -0.03 -0.00 -0.02 0.02 0.17 -0.11 0.05 0.16 -0.08 0.04 -0.01 -0.01 0.03 -0.06 0.10 0.02 0.05 0.01 0.03 0.03 0.04 0.04 -0.14 0.12 -0.02 -0.11 0.07 0.13 -0.12 0.08 -0.00 0.02 -0.02 0.15 0.00 -0.01 0.08 0.10 -0.05 -0.11 -0.05 0.02 0.06 -0.02 -0.08 -0.08 -0.03 -0.00 -0.07 -0.06 0.08 -0.12 -0.11 0.03 -0.05 -0.06 0.03 -0.16 -0.12 -0.00 -0.16 0.02 0.04 -0.08 0.01 -0.01 -0.13 -0.01 0.05 -0.08 -0.07 0.02 0.05 -0.09 0.12 -0.04 0.00 -0.03 0.02 0.22 -0.15 0.08 0.19 -0.12 0.10 -0.01 0.01 -0.00 0.03 0.03 0.03 -0.01 0.07 -0.07 -0.14 0.09 0.18 -0.15 0.13 -0.07 0.07 -0.07 0.21 0.04 -0.03 0.09 0.23 -0.11 -0.11 -0.05 0.12 -0.03 -0.00 -0.02 -0.14 0.05 -0.11 -0.08 -0.01 -0.06 0.04 0.14 0.05 -0.06 -0.02 -0.00 -0.12 -0.01 -0.01 -0.10 0.04 -0.09 -0.04 0.02 -0.01 -0.05 0.00 -0.00 -0.05 -0.09 0.04 -0.01 -0.09 0.03 -0.07 0.15 -0.05 0.02 -0.12 0.03 0.02 -0.10 0.05 0.02 0.04 0.05 0.07 0.02 -0.05 0.04 -0.06 -0.01 0.04 -0.03 -0.00 0.10 0.08 -0.06 0.16 0.08 -0.01 0.08 0.07 -0.04 0.16 0.00 0.04 0.07 -0.01 0.02 0.12 -0.06 0.06 -0.21 0.01 -0.01 -0.12 0.10 -0.07 -0.06 0.03 0.02 -0.02 0.01 -0.05 -0.03 0.06 -0.01 0.16 -0.00 0.03 -0.16 -0.18 -0.01 -0.14 0.19 -0.02 -0.06 -0.08 -0.03 -0.04 -0.05 0.15 -0.04 -0.21 0.05 -0.03 -0.09 0.13 -0.09 0.23 -0.08 0.03 -0.13 0.06 0.03 -0.12 0.06 0.08 -0.01 0.12 0.02 -0.05 -0.01 0.02 -0.02 -0.03 0.21 0.09 -0.03 0.05 0.09 -0.06 0.19 -0.02 0.07 0.02 -0.04 0.04 0.12 -0.14 0.09 -0.04 0.06 -0.01 -0.01 -0.04 0.04 0.01 -0.06 0.02 0.01 -0.05 0.01 0.01 -0.08 -0.01 -0.02 0.05 -0.03 -0.07 0.04 -0.03 -0.04 -0.04 0.01 0.03 0.14 -0.09 0.03 0.08 -0.02 0.01 -0.06 0.05 -0.01 0.01 0.03 0.01 -0.08 0.01 0.00 0.04 0.01 -0.01 0.03 0.02 0.01 -0.06 -0.00 0.01 0.02 -0.00 0.01 0.04 -0.01 -0.01 0.03 0.00 0.01 -0.03 -0.00 0.02 -0.05 -0.00 0.02 -0.05 -0.00 0.02 0.00 0.00 0.02 -0.01 -0.00 0.02 0.04 0.00 -0.07 0.06 -0.03 -0.07 -0.05 0.01 -0.02 0.08 0.05 0.03 0.08 -0.29 0.11 0.35 -0.07 0.34 0.08 0.03 -0.11 -0.16 -0.03 -0.09 0.35 -0.07 0.01 0.03 -0.18 -0.06 0.05 0.32 0.10 -0.37 0.08 -0.08 -0.01 -0.00 0.01 -0.10 0.02 0.01 0.04 0.02 -0.02 0.03 0.02 0.00 -0.05 -0.02 0.02 0.05 -0.02 -0.03 0.03 -0.01 0.02 -0.06 -0.00 0.02 -0.06 -0.00 0.01 0.01 -0.00 0.02 0.00 -0.00 0.02 0.10 0.00 -0.05 0.03 -0.02 -0.03 0.06 -0.06 -0.02 -0.03 0.07 -0.01 0.01 0.04 0.02 -0.07 -0.03 -0.03 0.03 0.01 -0.05 0.02 0.02 -0.02 -0.02 0.02 0.03 0.13 -0.02 -0.03 -0.01 0.02 0.00 -0.02 0.02 -0.02 -0.00 -0.05 -0.00 -0.09 0.03 -0.01 -0.03 -0.04 0.00 -0.02 -0.02 0.01 -0.01 -0.03 0.01 -0.02 0.00 -0.02 -0.04 -0.01 0.01 -0.03 0.01 0.02 0.03 0.01 0.03 0.05 0.02 0.04 0.04 0.01 0.03 0.01 0.01 0.04 0.00 0.01 0.04 -0.04 0.00 -0.03 0.01 0.02 0.03 -0.09 -0.01 0.02 0.22 -0.06 0.15 0.13 0.01 -0.01 0.13 -0.02 -0.18 -0.02 -0.03 0.05 0.11 0.03 0.04 -0.16 0.04 -0.07 -0.29 0.38 0.29 -0.19 -0.31 -0.19 0.38 -0.03 -0.07 0.05 -0.02 -0.01 -0.15 0.05 -0.01 -0.02 -0.05 0.03 -0.03 -0.03 0.03 0.03 -0.07 -0.04 -0.04 0.00 0.01 -0.05 0.02 0.03 0.06 0.02 0.05 0.06 0.02 0.03 0.00 0.01 0.04 -0.01 0.01 0.05 -0.09 -0.00 0.03 -0.01 -0.04 0.01 0.14 -0.07 -0.03 0.00 0.10 -0.02 0.08 0.06 0.02 -0.04 -0.04 -0.00 -0.02 0.01 0.04 -0.02 0.01 0.03 0.00 0.03 -0.03 -0.04 -0.02 -0.01 -0.03 0.01 -0.03 0.02 0.02 0.01 0.02 -0.05 -0.01 -0.07 0.05 0.01 -0.04 -0.02 0.00 -0.03 -0.02 0.01 0.05 -0.03 0.00 -0.04 -0.00 -0.01 -0.07 0.01 0.00 -0.06 0.01 -0.00 0.05 -0.01 0.00 0.08 -0.00 -0.01 0.08 -0.00 0.00 0.01 0.01 -0.01 0.01 0.00 -0.00 -0.07 0.00 0.07 -0.03 0.01 0.09 -0.06 -0.01 -0.02 -0.10 0.03 -0.07 -0.06 -0.10 -0.01 0.03 -0.01 0.21 -0.03 0.03 -0.12 -0.21 -0.01 -0.11 0.16 0.01 0.05 0.27 -0.33 -0.29 0.18 0.34 0.15 -0.37 0.06 -0.04 -0.08 -0.03 -0.01 -0.14 0.08 0.01 -0.03 -0.03 0.01 -0.03 -0.03 0.03 0.10 -0.09 -0.01 -0.09 0.02 0.01 -0.08 0.02 0.01 0.11 0.00 -0.01 0.10 -0.00 0.01 -0.01 0.01 -0.02 -0.00 0.01 -0.00 -0.16 0.01 0.03 -0.01 0.12 0.02 0.09 -0.03 -0.08 -0.05 0.02 -0.04 -0.04 0.01 0.04 -0.06 -0.01 0.01 0.01 -0.06 0.00 0.00 -0.04 -0.01 -0.02 -0.03 -0.00 -0.04 0.00 0.03 0.18 -0.07 0.02 -0.01 -0.05 0.01 0.04 0.05 -0.03 -0.07 0.01 0.02 0.01 0.07 -0.02 0.00 0.06 0.03 -0.04 -0.01 0.00 0.01 -0.01 0.03 -0.01 0.03 -0.02 -0.01 0.02 0.00 0.01 -0.05 0.02 -0.00 -0.03 -0.03 -0.00 -0.04 0.02 -0.00 0.00 -0.04 -0.00 -0.00 -0.01 0.01 0.02 -0.08 0.09 -0.05 -0.01 -0.05 -0.03 0.05 0.10 -0.21 0.06 0.04 0.30 -0.15 -0.33 -0.02 -0.26 0.23 0.03 0.18 0.45 -0.10 0.17 -0.03 -0.12 0.02 0.02 -0.12 -0.01 0.02 0.02 0.06 -0.09 -0.04 0.23 0.09 0.11 -0.05 -0.10 0.01 0.03 0.00 0.09 -0.06 0.00 0.08 0.08 -0.02 -0.02 0.05 -0.02 0.03 -0.04 -0.03 0.02 0.04 -0.01 -0.04 -0.05 -0.01 -0.06 0.04 -0.01 0.02 -0.06 -0.00 0.01 -0.02 0.01 0.04 0.05 0.00 -0.00 0.06 0.07 -0.02 -0.00 -0.01 -0.02 0.00 -0.03 -0.02 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.03 -0.02 -0.01 0.03 -0.00 -0.03 -0.01 0.00 -0.00 -0.05 -0.00 -0.00 -0.03 -0.00 0.04 0.04 0.04 0.04 -0.00 -0.00 -0.02 0.04 0.01 0.06 0.01 0.01 0.04 0.01 -0.03 0.00 0.00 0.01 -0.00 0.04 -0.01 0.04 0.00 -0.01 0.02 -0.01 0.00 -0.04 -0.01 -0.00 -0.04 -0.05 -0.00 -0.03 -0.02 -0.01 -0.01 -0.06 0.00 -0.00 -0.05 0.00 0.01 0.03 -0.03 -0.01 0.04 0.00 -0.03 -0.01 0.03 -0.03 0.02 0.00 0.01 -0.03 -0.01 -0.01 0.36 -0.02 0.04 -0.28 -0.36 -0.06 -0.27 0.37 0.02 -0.06 -0.15 0.33 0.15 -0.11 -0.18 -0.22 0.27 0.01 -0.01 -0.13 0.01 -0.00 0.01 -0.02 0.04 0.00 0.07 -0.02 0.01 0.06 0.01 -0.04 0.01 0.07 -0.02 0.03 -0.00 -0.02 0.02 -0.01 -0.00 -0.04 -0.07 -0.01 -0.05 0.00 -0.01 0.01 -0.08 0.00 0.00 -0.06 0.01 0.02 0.04 0.04 -0.03 0.02 0.05 -0.03 -0.10 -0.05 -0.07 -0.06 -0.10 -0.05 0.04 -0.01 0.02 0.01 0.02 0.06 0.02 -0.02 0.03 -0.00 -0.01 -0.03 0.05 0.09 0.04 0.02 -0.11 0.06 -0.01 0.13 -0.02 0.01 0.02 0.03 -0.06 -0.01 -0.04 0.01 0.01 0.05 -0.01 0.00 0.04 0.04 -0.07 0.01 0.00 0.01 -0.00 0.02 -0.00 0.03 -0.01 -0.00 0.02 0.00 0.00 -0.03 0.01 -0.01 -0.03 -0.02 -0.01 -0.03 0.01 -0.00 -0.00 -0.03 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.08 0.03 0.02 0.02 -0.03 -0.04 -0.04 0.31 -0.01 -0.00 -0.27 0.25 0.38 0.07 -0.19 -0.14 -0.06 0.14 0.06 0.14 0.14 -0.35 0.10 0.05 0.27 -0.12 -0.19 0.17 0.00 0.08 0.09 -0.01 -0.00 0.05 -0.03 -0.10 0.02 -0.06 0.01 0.01 0.05 -0.02 0.00 0.05 0.11 -0.09 0.05 0.03 -0.01 0.03 -0.02 -0.01 0.01 0.02 -0.01 -0.03 -0.04 -0.02 -0.04 0.02 -0.01 0.01 -0.04 -0.00 0.00 -0.02 0.02 0.03 -0.04 -0.09 0.01 -0.04 -0.06 0.03 -0.08 -0.02 0.02 -0.06 -0.01 0.02 0.04 -0.02 0.00 0.05 0.03 -0.01 0.03 0.00 -0.00 -0.03 -0.00 0.03 0.02 -0.05 0.05 0.09 0.11 -0.01 0.02 0.19 -0.08 -0.03 -0.04 -0.02 -0.05 -0.04 0.01 -0.03 -0.01 -0.04 -0.01 -0.01 -0.03 0.02 -0.01 0.00 -0.01 -0.00 -0.00 -0.03 0.00 -0.03 -0.01 0.01 -0.02 0.01 -0.00 0.03 0.01 0.00 0.03 0.03 0.00 0.02 0.01 0.00 0.01 0.04 -0.00 0.00 0.04 -0.00 -0.00 0.05 0.03 -0.00 -0.02 0.02 0.03 0.01 -0.12 0.14 -0.09 -0.04 0.02 0.12 -0.04 0.07 0.44 0.12 0.08 -0.06 -0.15 -0.02 -0.04 0.42 -0.08 0.05 0.19 0.06 -0.03 0.11 -0.30 -0.02 0.42 -0.10 -0.05 -0.11 0.01 -0.07 -0.06 0.02 -0.03 -0.00 -0.06 0.01 -0.01 -0.04 0.07 0.01 -0.01 -0.05 0.02 -0.03 0.00 0.03 -0.03 0.00 0.00 0.03 0.05 0.01 0.04 -0.01 0.01 -0.01 0.05 -0.00 -0.00 0.04 -0.00 -0.02 -0.01 0.05 -0.04 -0.04 0.04 -0.07 0.04 -0.00 0.01 0.03 -0.00 0.00 -0.01 -0.02 -0.01 0.00 0.01 0.02 -0.02 0.02 0.00 -0.01 0.00 -0.02 0.01 0.00 0.05 0.04 -0.10 0.03 0.01 0.05 -0.03 -0.06 -0.02 0.01 0.03 -0.01 0.00 -0.07 -0.03 0.03 -0.03 -0.03 0.05 -0.01 -0.01 -0.01 -0.02 0.09 0.00 -0.06 0.04 0.02 -0.03 0.05 0.04 0.01 0.02 -0.03 0.05 -0.06 -0.01 0.02 -0.06 -0.03 0.05 -0.02 0.01 0.02 -0.03 -0.01 0.05 0.06 0.02 -0.01 -0.01 0.00 0.02 -0.04 -0.04 0.07 0.24 -0.26 0.16 0.11 0.46 -0.22 -0.37 0.01 0.21 -0.14 -0.05 -0.02 -0.25 0.11 -0.01 -0.01 0.03 0.03 0.13 -0.13 -0.10 0.08 0.01 0.08 -0.01 -0.02 -0.13 -0.11 -0.02 0.04 -0.02 0.01 -0.08 -0.06 0.04 -0.01 -0.08 0.07 -0.03 -0.01 -0.01 -0.10 0.03 0.04 -0.02 0.05 0.04 0.08 -0.11 -0.03 0.02 -0.09 -0.04 0.06 -0.03 0.01 -0.00 -0.05 -0.00 0.05 0.15 0.04 -0.01 -0.09 0.03 -0.00 0.06 -0.09 0.04 0.02 0.05 0.02 0.06 0.03 -0.02 -0.00 -0.02 0.01 -0.02 -0.01 0.01 -0.02 -0.02 0.02 -0.00 -0.03 0.00 -0.04 -0.00 -0.03 0.05 -0.02 -0.02 -0.01 0.03 -0.01 -0.05 -0.01 0.03 -0.01 0.03 -0.05 -0.06 0.02 0.02 -0.06 0.04 -0.02 0.04 -0.01 -0.00 0.12 0.00 -0.05 0.05 0.02 0.02 0.06 0.03 0.00 0.03 -0.02 0.02 -0.08 -0.02 -0.00 -0.08 -0.03 0.02 -0.03 -0.00 -0.00 -0.04 -0.01 0.01 0.08 0.01 -0.01 -0.02 -0.02 0.05 -0.07 -0.05 -0.08 -0.28 0.34 -0.18 -0.14 -0.41 0.26 0.33 0.04 -0.16 0.08 0.03 0.01 0.16 -0.08 0.00 -0.01 -0.01 -0.02 -0.04 0.13 0.03 -0.03 -0.03 -0.10 0.06 0.01 0.11 0.06 0.01 0.05 -0.04 0.04 -0.08 -0.09 0.01 0.07 -0.11 0.05 -0.04 0.06 -0.04 -0.10 0.06 0.04 0.06 0.08 0.05 0.04 -0.13 -0.03 -0.01 -0.13 -0.04 0.03 -0.05 -0.00 -0.01 -0.06 -0.01 0.00 0.20 0.02 -0.18 -0.18 0.02 -0.04 0.05 -0.04 0.22 0.00 -0.04 0.18 -0.05 -0.03 -0.08 -0.04 -0.00 0.00 -0.00 -0.00 -0.05 -0.00 -0.01 -0.02 0.02 -0.04 0.00 -0.02 0.05 0.03 0.02 0.00 -0.03 0.07 -0.02 -0.06 0.18 0.02 0.15 0.01 -0.04 -0.01 0.10 0.06 -0.11 0.12 0.04 -0.05 -0.08 -0.00 -0.03 -0.11 0.02 0.01 -0.07 0.04 -0.12 -0.09 0.06 0.01 -0.02 -0.06 0.06 0.07 -0.03 0.02 0.07 -0.05 0.07 0.03 0.02 0.01 0.02 -0.00 0.05 -0.07 0.03 -0.07 0.00 -0.01 -0.02 -0.03 -0.05 -0.06 -0.13 0.25 -0.11 -0.06 -0.12 0.18 0.12 0.08 -0.01 0.02 0.00 0.07 0.06 0.03 0.07 -0.03 -0.03 0.01 0.13 -0.02 -0.10 0.07 -0.05 -0.02 0.10 -0.02 -0.07 -0.04 0.01 0.22 0.05 -0.04 0.07 0.12 0.11 -0.19 0.16 0.05 -0.18 -0.12 0.02 0.06 -0.11 0.04 -0.20 -0.18 0.06 0.11 0.10 -0.04 0.00 0.11 -0.06 0.09 0.06 0.04 -0.04 0.04 0.02 0.05 -0.17 0.06 0.17 0.21 -0.03 -0.06 -0.01 -0.00 -0.02 -0.00 -0.01 -0.02 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.03 -0.01 0.03 0.01 -0.01 -0.02 -0.01 -0.00 -0.04 -0.15 0.03 0.06 0.00 -0.01 0.05 -0.11 -0.02 -0.09 0.05 0.00 -0.02 0.00 -0.00 -0.07 0.04 0.01 -0.11 0.04 0.02 0.01 0.00 0.00 -0.05 -0.03 0.01 -0.06 -0.02 0.01 -0.11 -0.02 0.02 0.01 -0.01 -0.02 0.06 0.01 0.01 0.05 0.02 -0.03 0.07 0.02 0.03 0.05 -0.00 -0.01 0.08 -0.02 0.02 0.02 -0.00 -0.01 -0.01 0.00 -0.00 -0.08 -0.40 0.30 -0.30 -0.19 -0.22 0.17 0.05 0.07 0.15 0.01 0.04 0.04 -0.04 0.02 0.05 0.08 -0.07 -0.03 -0.28 0.09 0.22 -0.18 -0.14 0.01 0.04 -0.03 0.10 0.11 -0.02 -0.03 0.00 -0.00 -0.05 0.05 0.02 -0.13 0.04 0.02 0.02 0.00 0.01 -0.06 -0.04 0.02 -0.14 -0.04 0.00 0.10 0.01 -0.01 0.06 0.05 -0.02 0.07 0.03 0.02 0.02 -0.01 0.01 0.08 -0.05 0.03 -0.04 0.06 0.02 0.03 0.01 -0.01 0.01 0.01 0.03 -0.00 0.03 0.02 -0.00 -0.00 -0.01 -0.07 0.00 -0.08 -0.07 0.03 -0.08 -0.03 -0.01 -0.03 -0.00 -0.01 0.17 0.13 -0.05 -0.07 -0.09 -0.05 -0.03 0.04 -0.01 0.00 0.01 -0.01 0.02 0.05 -0.01 0.00 0.05 0.00 -0.01 -0.01 0.02 -0.01 0.03 -0.00 -0.00 0.05 0.01 -0.01 0.05 -0.01 -0.00 0.00 -0.00 0.01 -0.03 0.01 -0.01 -0.02 -0.00 0.01 -0.03 -0.01 -0.01 -0.03 0.01 0.01 -0.04 -0.00 -0.01 -0.11 0.09 -0.08 -0.07 -0.05 -0.03 -0.14 0.02 0.41 -0.09 0.01 0.19 0.31 -0.07 0.22 0.20 -0.08 -0.13 0.21 -0.06 0.17 0.25 -0.12 -0.21 -0.10 -0.07 0.02 -0.04 -0.05 -0.01 -0.15 -0.05 -0.03 -0.17 -0.30 0.06 0.01 -0.03 0.03 0.04 -0.02 0.01 0.06 0.02 -0.02 -0.01 0.04 -0.03 0.06 0.02 -0.02 0.06 -0.01 0.01 -0.05 0.02 0.00 -0.03 -0.01 0.01 -0.03 -0.01 -0.01 -0.01 0.02 -0.00 -0.04 -0.01 -0.01 0.09 -0.02 0.02 -0.02 -0.04 0.03 -0.01 0.00 0.01 -0.01 0.02 0.01 0.00 0.01 -0.00 0.06 -0.02 -0.10 0.05 -0.01 -0.08 -0.01 -0.01 -0.00 0.15 0.03 0.03 -0.08 -0.03 -0.13 -0.10 0.06 0.14 -0.04 -0.00 0.01 -0.00 0.00 0.01 -0.04 0.01 -0.00 -0.06 0.01 -0.00 -0.00 0.01 -0.00 -0.03 -0.02 -0.01 -0.03 0.00 -0.02 -0.05 -0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.00 0.02 0.03 0.02 0.00 0.02 0.02 0.01 0.03 -0.01 -0.00 0.04 -0.01 0.00 0.04 0.05 -0.08 -0.05 -0.01 0.01 0.06 0.18 0.07 0.24 0.05 0.13 0.25 -0.06 0.04 -0.20 -0.05 -0.18 -0.10 -0.01 -0.23 -0.12 -0.10 0.01 0.04 0.22 0.31 -0.17 0.12 0.29 -0.39 -0.07 0.13 0.11 -0.15 0.04 -0.01 -0.00 0.01 -0.03 0.01 0.00 -0.07 0.02 -0.00 0.00 0.02 -0.01 -0.02 0.01 -0.03 -0.07 0.00 -0.04 0.02 -0.00 0.02 0.04 0.04 0.02 0.01 0.04 0.00 0.03 -0.01 0.00 0.04 -0.03 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.05 0.03 0.01 0.04 -0.03 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.04 -0.03 0.00 -0.04 0.02 -0.00 0.00 0.00 -0.01 -0.20 -0.01 -0.01 0.20 0.01 -0.01 0.20 0.01 -0.00 -0.20 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.01 0.01 0.00 0.02 0.01 0.00 -0.00 -0.01 -0.01 -0.02 0.01 -0.01 -0.02 0.02 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.09 0.06 0.02 0.08 -0.06 0.00 0.00 -0.00 0.01 0.09 -0.07 -0.00 -0.08 0.05 -0.00 -0.44 -0.03 -0.01 0.44 0.03 -0.02 0.44 0.02 -0.00 -0.44 -0.02 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.03 0.00 -0.01 0.00 0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.01 0.01 0.00 0.00 0.01 -0.03 -0.01 0.00 0.01 -0.03 -0.16 0.11 0.03 0.17 -0.13 0.00 0.01 -0.00 0.00 0.01 0.02 0.00 0.15 -0.09 -0.01 -0.17 0.15 0.01 0.01 -0.02 0.01 0.04 -0.02 -0.00 -0.06 -0.02 0.02 -0.05 -0.01 -0.01 0.04 0.00 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.02 -0.01 0.00 0.02 -0.00 -0.03 0.01 -0.00 -0.00 -0.02 -0.01 -0.01 -0.01 -0.00 0.01 -0.02 -0.01 -0.02 -0.02 0.01 0.02 0.01 0.02 0.01 0.00 0.01 -0.00 0.01 0.01 0.00 0.03 0.04 -0.01 -0.02 -0.00 0.01 -0.06 -0.34 0.23 0.07 0.33 -0.25 0.01 0.02 -0.01 0.01 0.33 -0.22 -0.01 -0.38 0.32 0.01 0.09 -0.02 -0.02 -0.13 -0.04 0.03 -0.12 0.00 -0.02 0.08 0.01 -0.00 0.03 0.02 0.00 -0.00 0.00 0.01 0.18 -0.05 0.03 -0.01 -0.02 0.04 -0.04 -0.02 -0.01 -0.02 -0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.01 0.02 -0.03 -0.02 -0.03 0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.01 -0.03 -0.10 0.15 0.03 -0.01 -0.02 0.03 -0.11 0.12 -0.11 -0.04 0.04 -0.00 -0.04 -0.00 0.00 0.02 -0.17 0.07 0.11 -0.21 -0.07 0.03 -0.17 -0.03 -0.05 0.13 -0.07 0.03 0.14 0.05 -0.01 0.14 -0.07 0.01 0.01 0.09 0.04 0.02 0.03 -0.03 -0.04 -0.02 -0.02 -0.00 0.01 -0.01 -0.04 -0.01 -0.08 0.02 -0.06 -0.04 -0.04 -0.02 0.01 0.00 0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.01 -0.00 0.02 0.00 -0.02 -0.02 0.02 -0.01 -0.03 0.04 0.02 -0.01 0.04 0.05 -0.00 0.06 0.00 -0.02 0.09 -0.12 0.19 -0.21 0.05 0.03 -0.02 -0.06 0.01 0.18 0.23 -0.35 -0.14 0.06 -0.27 -0.15 0.10 0.17 0.12 0.02 0.21 -0.15 0.03 -0.06 0.18 0.10 -0.00 0.04 -0.07 -0.12 -0.04 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.03 -0.00 0.01 -0.01 -0.01 -0.01 0.03 -0.01 0.02 0.02 -0.04 -0.01 -0.03 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 0.01 0.01 0.00 0.01 0.00 0.01 -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 -0.00 -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 -0.05 -0.02 0.01 -0.01 -0.02 -0.01 0.00 0.04 0.03 0.06 -0.00 0.06 0.06 -0.05 0.02 0.16 -0.05 0.01 -0.02 -0.11 -0.05 -0.03 0.07 -0.04 0.00 0.04 0.02 -0.06 0.00 -0.02 -0.05 0.02 -0.01 0.46 0.83 -0.10 -0.00 -0.01 0.01 0.01 0.01 0.00 0.01 0.00 0.01 -0.01 0.02 -0.01 0.01 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.14 -0.09 -0.00 0.01 -0.02 0.01 0.01 0.01 -0.00 0.02 0.04 -0.00 -0.02 0.04 -0.00 -0.13 -0.09 0.03 0.05 -0.13 0.02 0.04 -0.05 0.01 -0.02 0.16 0.01 0.07 0.06 0.05 -0.15 -0.06 -0.12 -0.01 -0.00 0.01 0.02 0.04 0.01 -0.03 0.00 0.01 -0.04 0.00 -0.00 -0.01 0.04 0.00 -0.03 -0.00 -0.01 -0.03 0.01 -0.01 -0.04 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.00 -0.01 0.01 0.00 0.01 0.02 0.00 -0.01 0.03 -0.00 0.00 0.09 -0.17 0.02 0.07 0.00 0.01 -0.11 0.40 -0.02 0.30 0.11 0.01 -0.04 0.23 0.00 0.17 0.12 0.22 0.14 0.11 0.17 0.17 0.13 -0.21 -0.16 -0.04 -0.20 -0.21 -0.08 -0.20 -0.01 0.01 -0.11 0.17 -0.04 -0.01 0.03 0.06 0.00 -0.03 0.01 0.01 -0.06 0.01 0.00 -0.03 0.04 0.00 -0.02 0.01 -0.02 -0.04 -0.00 -0.01 0.02 0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.03 -0.01 0.00 -0.02 -0.00 -0.01 -0.00 0.07 0.10 0.00 -0.00 -0.04 0.01 -0.06 -0.05 0.00 -0.01 0.01 -0.02 -0.01 -0.04 0.04 0.03 0.07 0.03 0.05 0.12 0.00 -0.00 0.02 0.02 0.01 -0.05 -0.04 -0.04 -0.00 0.01 0.12 -0.09 0.00 0.01 -0.05 0.02 -0.03 -0.02 -0.03 -0.02 -0.04 0.01 -0.06 0.01 0.00 0.07 -0.10 -0.01 -0.09 -0.01 -0.01 -0.09 -0.02 -0.02 0.23 0.05 -0.02 0.00 0.05 0.01 0.01 0.05 -0.02 -0.10 0.00 0.03 -0.10 0.00 0.01 0.15 -0.01 0.13 0.10 0.06 0.04 0.14 0.13 -0.04 0.03 0.06 0.00 0.00 0.04 0.07 -0.03 0.03 0.04 0.02 -0.01 0.03 0.02 -0.04 0.03 0.03 -0.10 -0.04 -0.04 0.02 -0.01 -0.02 0.05 -0.09 -0.08 -0.00 -0.03 0.12 -0.03 0.01 0.04 -0.06 0.02 -0.16 0.09 -0.07 -0.17 0.08 0.01 -0.08 0.04 -0.00 -0.25 0.09 -0.04 -0.26 0.09 -0.04 -0.21 0.05 0.05 -0.20 0.06 -0.05 -0.35 -0.04 0.06 -0.35 -0.02 0.02 0.23 -0.03 -0.04 -0.03 -0.02 0.01 0.16 0.07 -0.00 0.00 -0.06 0.01 -0.09 -0.06 0.01 -0.02 0.01 -0.03 0.01 -0.06 0.08 0.06 0.13 0.08 0.09 0.17 -0.03 0.01 0.03 0.02 0.00 -0.09 -0.05 -0.06 0.00 0.00 -0.14 -0.01 -0.00 0.00 -0.07 -0.02 -0.06 -0.06 0.00 -0.04 -0.08 0.02 -0.08 0.01 -0.05 -0.01 0.11 -0.05 0.08 0.05 -0.01 0.06 0.05 -0.01 -0.11 -0.04 0.02 -0.01 -0.03 0.00 -0.01 -0.06 0.03 0.05 0.01 -0.01 0.05 -0.01 0.02 -0.07 0.01 0.23 0.17 0.11 0.16 0.19 0.16 -0.07 0.04 0.09 -0.04 0.02 0.07 0.07 -0.05 0.04 0.06 0.01 -0.06 0.04 0.01 -0.05 0.05 0.02 -0.15 -0.08 -0.10 0.02 0.04 -0.03 0.10 -0.12 -0.15 0.00 -0.08 0.16 -0.04 0.00 0.04 -0.08 -0.09 0.07 -0.24 0.11 0.08 -0.22 0.03 -0.11 0.05 -0.13 0.25 -0.03 0.09 0.21 0.02 0.06 0.10 -0.04 -0.01 0.10 -0.06 0.04 0.18 0.03 -0.06 0.18 0.01 0.02 -0.09 0.03 0.03 -0.14 0.02 0.06 -0.04 0.00 -0.01 -0.00 0.01 -0.04 0.01 0.02 0.02 -0.01 -0.00 -0.03 0.18 -0.03 0.08 0.05 -0.10 0.06 0.00 -0.04 -0.18 0.10 0.05 0.01 -0.06 -0.02 0.08 0.00 0.04 0.03 -0.01 0.03 -0.03 -0.02 0.01 -0.04 0.03 0.02 -0.02 0.00 -0.02 0.01 0.01 -0.00 -0.06 -0.03 -0.01 -0.04 0.00 0.00 -0.03 -0.03 -0.03 -0.04 0.03 -0.00 0.00 0.01 0.02 0.01 0.01 -0.02 0.01 -0.02 0.02 0.02 -0.01 -0.02 0.05 0.02 0.01 0.08 0.05 -0.10 0.01 -0.03 -0.03 -0.14 -0.01 0.06 -0.33 0.14 0.09 -0.15 0.03 0.06 0.09 -0.18 -0.33 -0.00 -0.19 0.17 0.02 -0.17 0.07 -0.05 -0.19 -0.01 0.33 0.01 0.15 0.10 -0.12 0.05 0.34 0.13 -0.01 -0.07 -0.04 0.02 -0.05 0.05 -0.01 -0.08 0.05 -0.02 0.02 0.02 -0.01 -0.00 0.01 -0.03 -0.02 0.00 -0.05 0.03 -0.03 0.01 0.04 -0.03 -0.00 -0.01 -0.06 0.00 -0.01 -0.06 -0.01 0.05 0.02 0.01 0.00 -0.02 -0.00 -0.01 -0.04 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.02 -0.01 0.02 0.01 0.01 0.02 0.01 0.02 -0.02 0.01 0.01 0.00 -0.00 -0.02 0.00 -0.01 0.01 0.01 0.14 -0.12 -0.01 0.00 -0.00 -0.00 -0.05 0.02 -0.00 -0.04 0.02 0.00 -0.00 0.00 0.02 0.16 -0.10 0.00 0.01 0.01 -0.00 0.01 0.01 0.00 -0.15 0.01 0.00 -0.04 0.02 -0.01 -0.03 0.02 -0.00 0.07 -0.01 0.00 0.07 -0.00 0.00 -0.10 -0.02 0.04 0.03 0.01 0.01 0.02 0.03 -0.02 0.00 0.02 -0.05 0.02 0.01 -0.01 0.00 0.01 0.02 -0.02 -0.05 0.00 -0.02 0.01 0.01 -0.02 -0.01 -0.01 -0.03 0.00 0.05 0.00 0.03 -0.00 -0.03 0.01 0.02 0.03 -0.01 -0.03 0.00 -0.01 -0.04 -0.34 0.24 -0.02 -0.37 0.25 0.01 -0.00 0.00 -0.05 -0.25 0.22 -0.02 -0.27 0.23 -0.03 0.15 0.05 0.01 0.16 0.05 -0.02 0.30 -0.00 0.02 0.29 0.00 -0.00 -0.10 -0.01 -0.16 0.09 0.01 0.23 -0.03 -0.00 0.04 -0.00 0.01 -0.07 0.02 0.01 0.03 0.02 -0.00 0.01 -0.08 0.02 -0.07 0.03 0.05 0.12 -0.04 -0.06 0.09 -0.07 -0.02 -0.01 0.01 0.03 -0.04 -0.01 -0.02 0.20 0.02 0.04 -0.06 -0.01 0.02 -0.08 0.09 0.12 0.04 -0.06 -0.08 0.01 0.03 -0.00 -0.22 0.01 -0.05 -0.11 0.06 0.06 0.00 -0.10 -0.12 -0.21 -0.01 -0.03 -0.02 -0.01 0.14 -0.01 -0.00 -0.13 0.02 0.00 0.12 0.03 0.01 -0.14 0.21 -0.01 0.02 -0.13 0.04 0.05 0.12 -0.06 -0.06 0.09 -0.04 -0.03 0.13 -0.08 -0.03 0.08 -0.05 -0.03 -0.05 0.06 0.16 0.00 0.08 -0.06 -0.01 0.06 -0.01 0.02 0.08 -0.00 -0.16 -0.02 -0.07 -0.04 0.05 -0.02 -0.30 -0.01 0.02 -0.17 -0.02 0.02 -0.19 0.03 0.05 -0.16 -0.01 -0.00 0.03 0.04 -0.01 0.05 -0.02 0.04 0.12 -0.08 -0.02 0.13 0.01 0.08 0.13 0.01 -0.01 -0.13 0.03 0.00 -0.13 0.04 -0.07 0.21 -0.01 0.05 -0.06 -0.01 -0.03 -0.05 -0.12 -0.17 0.08 0.01 0.00 -0.10 -0.00 -0.01 0.06 0.03 0.00 -0.01 0.01 -0.04 0.08 0.06 0.20 0.17 -0.02 0.04 -0.00 0.01 0.00 0.01 0.01 -0.09 -0.04 -0.03 -0.00 -0.07 0.03 0.06 -0.11 -0.00 -0.00 -0.08 0.03 0.08 0.04 0.09 0.16 0.02 0.02 -0.00 0.06 -0.06 -0.02 -0.03 -0.05 -0.10 0.06 -0.01 -0.02 0.05 0.00 0.02 0.03 0.00 -0.01 -0.03 -0.00 0.05 0.03 0.00 -0.05 -0.03 -0.00 0.00 -0.05 0.00 -0.02 0.20 0.13 0.19 0.46 0.01 -0.05 -0.03 0.03 0.04 -0.01 0.02 0.05 0.05 -0.04 0.01 0.00 0.03 -0.02 0.03 0.05 -0.10 0.02 0.03 -0.14 -0.05 -0.06 0.02 0.03 -0.01 0.09 -0.10 -0.11 -0.00 -0.30 0.04 -0.04 -0.29 -0.01 -0.02 0.08 0.15 0.13 0.00 0.14 0.14 0.04 0.02 0.01 0.02 0.00 -0.16 -0.05 0.01 -0.14 -0.02 -0.02 0.01 -0.05 -0.02 0.03 0.05 -0.02 -0.04 0.03 -0.02 -0.02 -0.06 -0.01 0.02 0.03 -0.00 0.00 -0.00 0.05 0.05 -0.04 -0.00 -0.00 0.04 -0.00 -0.00 -0.03 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.04 -0.05 0.02 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.02 0.01 0.01 0.00 -0.00 -0.02 0.02 0.05 0.00 -0.00 -0.05 0.02 -0.01 0.05 0.02 0.01 -0.01 -0.01 0.00 0.00 -0.02 0.01 -0.06 -0.03 -0.01 0.06 -0.03 0.00 -0.02 -0.02 0.13 0.20 -0.01 0.22 -0.25 -0.01 0.15 0.28 0.01 -0.19 -0.21 0.01 -0.27 0.02 0.01 -0.13 -0.02 -0.03 -0.04 -0.13 0.02 0.03 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.02 -0.00 -0.01 0.03 0.01 0.01 -0.00 0.00 0.00 -0.01 0.02 0.02 0.00 0.09 -0.00 0.01 0.14 0.01 0.00 -0.05 0.06 -0.05 0.06 0.07 -0.03 -0.01 -0.01 0.00 -0.07 -0.01 -0.03 0.07 -0.00 -0.01 0.05 -0.01 0.28 -0.14 -0.00 0.25 0.16 0.01 -0.28 -0.07 0.01 -0.32 -0.04 -0.02 0.26 0.03 0.00 0.00 0.01 0.07 0.08 -0.16 -0.01 -0.01 0.11 -0.00 -0.00 -0.09 -0.03 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.02 -0.07 0.03 0.05 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.05 0.05 0.13 0.01 -0.01 -0.25 0.07 0.07 0.22 0.07 0.13 -0.00 -0.02 0.00 0.00 -0.05 -0.05 -0.22 -0.08 -0.17 0.26 -0.09 -0.10 -0.00 -0.01 -0.04 -0.04 -0.03 -0.07 0.06 -0.03 -0.07 -0.06 0.03 0.05 0.05 0.03 0.05 0.00 -0.04 0.03 0.02 -0.01 -0.02 -0.15 0.08 0.08 -0.01 -0.00 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.02 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.02 0.01 0.01 0.01 0.00 0.01 0.06 0.02 0.00 0.44 0.05 0.01 -0.19 0.07 0.12 0.16 0.07 0.17 0.04 -0.02 0.01 -0.16 -0.11 -0.18 0.22 -0.11 -0.12 0.02 0.01 -0.09 0.02 0.01 -0.09 -0.03 0.12 0.08 -0.01 0.12 0.08 0.02 -0.01 -0.06 0.03 -0.02 0.01 -0.00 0.08 0.09 0.21 0.04 0.01 -0.03 -0.02 0.00 0.20 0.01 0.01 -0.00 -0.02 0.02 -0.02 0.00 -0.11 -0.06 0.07 0.00 0.02 -0.02 -0.01 -0.01 -0.00 0.07 -0.02 -0.01 -0.01 -0.02 0.00 0.00 -0.18 -0.03 -0.02 -0.06 0.01 -0.02 0.05 0.01 0.02 -0.09 -0.04 -0.00 0.01 -0.01 -0.00 -0.07 -0.03 -0.05 0.06 -0.01 -0.01 0.02 0.00 -0.00 0.01 -0.01 -0.03 0.01 -0.01 0.00 0.00 0.01 -0.01 0.00 0.01 0.02 -0.02 -0.01 0.00 -0.05 -0.02 -0.11 -0.23 0.02 0.05 0.02 0.01 -0.02 0.07 -0.03 -0.04 -0.00 0.03 -0.01 0.00 -0.01 0.07 -0.01 -0.01 0.08 -0.01 -0.00 0.08 -0.01 0.01 -0.03 -0.06 -0.02 -0.06 0.00 0.03 -0.02 0.17 -0.04 0.02 -0.69 -0.11 -0.04 -0.06 -0.01 -0.00 0.06 0.01 0.01 -0.38 -0.08 -0.02 -0.09 -0.03 -0.03 0.06 -0.01 -0.02 -0.00 0.00 -0.02 -0.02 0.00 -0.01 0.03 0.04 0.01 0.02 0.04 0.02 -0.02 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.04 -0.05 -0.21 -0.03 -0.01 0.28 0.05 0.02 0.20 0.03 0.01 0.00 0.01 -0.01 0.01 -0.01 0.07 0.02 -0.02 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.05 0.02 0.01 0.01 0.01 0.00 -0.00 -0.04 -0.01 0.01 0.03 -0.00 0.02 -0.01 -0.00 -0.00 -0.26 -0.02 -0.01 -0.01 0.00 -0.00 0.03 0.01 0.02 -0.02 0.00 0.00 -0.02 -0.00 -0.00 -0.01 0.00 0.02 -0.00 0.01 -0.02 -0.01 -0.01 0.02 -0.00 -0.00 -0.02 0.02 0.01 0.00 0.03 -0.01 0.07 0.12 0.04 -0.02 -0.02 -0.00 0.01 -0.04 0.02 0.02 -0.00 -0.01 0.01 -0.00 0.00 -0.04 0.01 0.01 -0.06 0.01 0.00 -0.06 0.01 -0.00 0.02 0.04 0.02 0.04 0.00 -0.01 0.01 -0.10 0.01 -0.01 -0.04 -0.01 0.01 0.04 0.02 0.01 -0.02 -0.00 0.00 -0.82 -0.10 -0.04 0.05 0.02 0.01 -0.01 0.01 0.00 0.01 0.00 0.02 0.01 0.00 -0.00 -0.03 -0.02 -0.00 -0.03 -0.02 -0.01 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.10 -0.01 -0.00 0.07 -0.00 0.00 0.07 -0.00 0.00 -0.14 -0.01 -0.00 -0.14 -0.01 -0.00 0.07 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.02 -0.01 0.01 0.01 -0.02 0.02 -0.01 0.50 0.03 -0.00 0.51 0.03 0.01 0.18 0.02 -0.01 0.18 0.02 -0.01 0.60 0.03 -0.07 0.02 0.01 0.16 0.00 0.03 -0.06 -0.01 -0.00 0.03 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.02 0.10 -0.02 -0.05 0.03 -0.02 -0.01 -0.01 -0.00 0.04 -0.02 -0.01 -0.01 0.07 -0.10 0.09 0.01 -0.00 0.01 -0.10 0.09 -0.00 -0.09 0.01 -0.12 -0.02 0.01 -0.00 -0.03 0.12 -0.08 -0.11 -0.04 0.05 -0.11 -0.09 -0.01 0.14 0.04 0.02 0.08 -0.03 -0.14 0.04 -0.05 0.18 0.08 0.02 -0.16 0.05 0.00 0.19 -0.18 -0.04 -0.03 -0.04 0.05 -0.02 0.07 -0.02 -0.05 0.03 -0.02 -0.01 0.03 -0.02 -0.01 0.03 -0.02 -0.01 -0.01 -0.00 0.04 -0.00 0.00 0.04 -0.00 -0.00 0.04 -0.02 -0.00 -0.01 -0.04 -0.01 -0.02 -0.02 -0.00 -0.01 -0.05 0.00 0.01 0.08 0.00 0.02 -0.18 0.18 -0.15 -0.23 0.17 -0.16 -0.05 0.01 -0.01 -0.13 -0.15 0.14 -0.12 -0.18 0.05 -0.06 0.03 -0.09 -0.07 0.06 0.10 0.27 0.17 -0.00 0.28 0.17 0.11 -0.17 0.10 -0.04 0.03 -0.01 -0.01 -0.07 0.02 -0.04 0.03 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.03 -0.04 -0.01 0.01 -0.02 0.01 0.01 0.00 -0.00 -0.03 0.02 0.01 0.01 -0.06 -0.18 0.13 -0.01 0.00 -0.00 0.07 0.09 -0.09 0.03 0.12 -0.02 0.00 0.00 0.00 0.04 0.18 -0.14 0.04 -0.13 0.05 0.03 -0.10 0.08 -0.05 0.07 -0.00 -0.05 -0.06 0.07 -0.01 -0.05 -0.05 -0.06 0.01 0.07 -0.00 0.02 -0.06 0.07 -0.07 0.00 0.02 -0.04 0.03 0.02 -0.01 -0.00 -0.02 0.01 0.01 -0.02 0.02 0.01 -0.02 0.01 0.01 0.00 0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 -0.04 0.02 0.01 0.01 0.02 0.01 0.01 0.02 0.01 0.01 -0.00 -0.00 -0.01 -0.05 0.01 -0.01 0.14 0.27 -0.17 0.09 0.35 -0.21 0.01 -0.00 0.01 0.04 -0.29 0.16 -0.01 -0.25 0.17 -0.01 0.08 0.07 0.04 0.06 -0.00 -0.15 0.29 0.02 -0.08 0.28 -0.02 0.07 0.18 -0.01 -0.01 -0.04 0.00 -0.01 -0.09 -0.04 -0.10 0.07 0.01 0.01 -0.02 0.08 -0.00 -0.09 -0.00 0.01 0.03 -0.02 0.12 0.20 -0.09 0.05 0.27 -0.09 0.11 -0.07 -0.04 -0.03 0.00 0.22 -0.17 -0.09 -0.08 -0.03 -0.02 0.01 0.02 -0.05 -0.01 0.03 -0.01 -0.02 -0.00 0.03 0.03 0.01 -0.06 0.01 0.02 0.02 -0.01 0.03 -0.02 -0.01 -0.02 0.01 0.04 -0.02 0.00 -0.00 -0.02 -0.00 0.03 -0.01 0.00 -0.02 -0.02 -0.00 0.03 -0.01 0.00 -0.03 0.03 -0.00 0.00 0.13 0.27 -0.10 0.03 0.26 -0.09 0.10 -0.04 -0.04 0.15 -0.08 -0.06 0.12 -0.05 -0.04 -0.02 -0.03 0.15 -0.02 -0.01 0.28 -0.02 -0.02 0.24 -0.22 -0.16 -0.09 -0.09 -0.08 -0.03 -0.20 -0.16 -0.08 0.13 -0.01 0.01 0.20 -0.15 0.04 0.08 0.02 0.00 0.03 0.06 0.00 0.03 -0.01 -0.06 0.02 -0.03 0.00 -0.05 0.00 0.01 -0.00 0.00 0.02 0.01 -0.00 -0.01 -0.06 0.00 0.00 -0.04 0.00 -0.02 0.03 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 -0.01 0.00 -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 -0.05 0.00 -0.00 0.00 0.02 -0.04 0.03 -0.02 -0.04 0.02 0.00 0.00 0.00 -0.01 -0.06 0.05 0.02 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.20 0.01 0.00 -0.08 0.00 -0.00 -0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.12 -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 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.04 0.04 -0.03 -0.03 0.02 -0.03 0.00 0.00 -0.00 0.05 0.20 -0.16 0.01 0.20 -0.17 0.00 0.03 0.01 -0.01 0.04 0.01 -0.01 0.51 0.02 -0.00 0.51 0.02 -0.00 0.49 0.03 0.04 -0.00 -0.01 -0.02 -0.06 -0.01 0.01 0.10 0.00 -0.02 -0.02 0.11 0.00 -0.09 -0.01 0.00 -0.11 0.07 0.00 -0.04 0.10 -0.09 0.28 -0.14 -0.11 0.04 0.05 0.01 -0.04 -0.17 0.07 0.01 0.04 0.03 -0.00 0.00 0.01 -0.05 -0.02 -0.00 0.05 0.04 0.01 -0.05 -0.05 0.02 -0.06 0.01 -0.04 0.00 -0.00 0.01 0.05 0.06 0.02 -0.05 -0.05 0.00 0.00 0.00 0.01 -0.00 -0.02 0.01 0.00 0.02 0.02 0.00 -0.02 0.01 -0.00 0.03 -0.02 -0.00 -0.00 -0.08 -0.25 0.12 -0.11 0.35 -0.12 -0.14 0.16 0.01 0.06 -0.01 -0.04 -0.17 0.18 0.04 -0.02 0.06 0.10 0.04 0.09 -0.30 0.03 0.08 -0.34 0.12 0.10 0.04 -0.05 -0.00 -0.03 0.11 0.10 0.04 -0.10 -0.00 -0.02 -0.00 -0.19 0.03 -0.05 -0.04 0.09 -0.04 0.04 -0.08 0.03 0.01 -0.08 0.07 -0.03 0.08 0.08 0.03 -0.06 0.01 0.00 -0.02 0.00 -0.00 0.02 0.04 0.01 -0.00 0.04 -0.00 0.02 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -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 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.06 0.04 0.00 0.07 -0.04 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.06 0.04 0.00 0.06 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.01 0.03 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 -0.02 0.01 0.01 0.00 -0.01 -0.00 -0.01 0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 0.04 0.44 -0.35 -0.04 -0.42 0.31 0.00 0.00 -0.01 0.04 0.34 -0.26 -0.05 -0.36 0.26 -0.01 0.02 0.00 -0.00 -0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 -0.07 0.04 0.01 0.23 0.02 0.10 -0.03 0.01 -0.00 -0.00 0.01 0.04 0.00 -0.01 -0.00 -0.01 -0.09 0.04 -0.01 -0.03 -0.03 0.13 0.04 -0.11 -0.06 0.02 0.03 0.00 -0.03 -0.08 0.06 0.01 0.04 -0.02 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.11 -0.19 -0.05 0.11 0.14 0.01 -0.00 -0.00 0.09 -0.02 0.03 -0.07 -0.12 -0.23 -0.13 0.14 0.18 0.01 0.01 0.00 -0.02 0.01 0.03 -0.01 -0.01 -0.04 -0.04 0.01 0.05 -0.03 -0.01 -0.06 0.04 -0.00 0.01 -0.13 -0.10 -0.02 0.05 0.06 -0.08 -0.08 0.10 -0.00 0.08 -0.03 -0.04 -0.12 0.12 0.02 -0.01 0.03 0.08 0.02 0.05 -0.15 0.02 0.04 -0.18 0.13 0.12 0.03 -0.09 -0.01 -0.06 0.11 0.12 0.04 -0.06 -0.02 0.02 0.08 -0.04 0.03 0.07 -0.24 -0.03 0.07 0.04 0.14 -0.01 0.02 -0.03 -0.31 -0.18 -0.08 -0.31 0.09 0.07 -0.02 -0.09 0.03 -0.01 0.08 -0.04 -0.09 -0.06 0.00 -0.09 0.09 -0.03 0.03 0.02 0.01 -0.00 0.00 0.00 0.01 -0.02 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.10 -0.07 0.00 -0.00 -0.00 -0.01 -0.08 0.05 -0.00 -0.07 0.06 0.00 0.00 0.00 0.02 0.10 -0.07 -0.01 -0.06 0.03 -0.01 -0.06 0.05 0.00 -0.06 -0.01 -0.00 0.01 0.01 -0.00 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 0.00 0.00 0.03 -0.00 -0.01 -0.00 -0.02 0.01 0.02 0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 0.02 0.00 -0.01 -0.00 -0.01 0.02 0.02 0.00 0.02 -0.01 0.00 -0.01 -0.00 -0.00 0.04 0.42 -0.33 0.05 0.42 -0.30 -0.00 0.00 -0.00 0.02 0.29 -0.23 0.03 0.33 -0.24 -0.00 0.01 0.01 -0.00 0.15 0.02 -0.03 -0.16 -0.01 0.02 -0.03 -0.00 0.01 -0.17 -0.03 -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 0.01 0.00 -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 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.07 -0.00 -0.00 0.07 0.01 0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -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 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.03 0.01 0.06 -0.04 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.00 0.05 -0.02 -0.01 0.51 0.04 0.00 -0.50 -0.04 -0.01 0.47 0.03 0.01 -0.48 -0.03 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.05 0.00 0.00 0.01 0.00 -0.00 0.05 0.01 0.00 -0.00 -0.02 0.00 -0.00 0.01 -0.02 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 -0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 -0.02 -0.00 -0.02 0.01 -0.02 0.02 0.00 0.02 -0.01 -0.01 -0.01 0.02 0.00 0.00 0.00 0.02 0.00 0.00 -0.01 0.00 0.01 -0.02 0.03 0.02 0.01 -0.02 -0.00 -0.01 0.01 0.02 0.01 0.02 -0.01 0.00 0.92 0.14 0.04 0.00 0.01 0.00 0.00 -0.00 -0.00 0.28 0.04 0.02 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.03 0.00 0.01 0.03 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 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.05 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.18 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 -0.00 0.01 -0.01 0.01 -0.02 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.28 -0.05 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.93 0.13 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 0.05 -0.02 -0.01 0.05 0.01 0.03 0.03 0.01 -0.01 -0.01 0.01 0.04 0.01 -0.01 -0.00 0.03 0.16 0.04 -0.05 -0.11 0.15 -0.07 0.02 -0.09 0.11 0.00 -0.03 0.02 0.05 -0.04 -0.12 0.00 -0.05 0.02 0.01 0.00 -0.03 -0.01 0.00 -0.00 -0.02 -0.02 -0.00 0.00 0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.02 -0.02 -0.02 -0.02 0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.15 -0.36 0.17 -0.09 0.06 -0.07 0.23 -0.28 -0.04 -0.27 0.09 0.07 0.08 -0.21 -0.03 -0.01 -0.05 -0.32 -0.04 -0.08 0.00 -0.03 -0.07 0.16 -0.29 -0.23 -0.14 0.15 0.00 0.04 -0.03 -0.13 -0.03 -0.15 0.08 -0.03 0.15 -0.01 0.02 -0.01 -0.01 -0.04 0.00 0.00 0.01 -0.06 0.02 -0.04 -0.04 0.02 -0.04 -0.02 0.03 0.00 -0.00 0.02 0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.02 -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 -0.01 0.01 -0.00 0.00 0.00 0.01 0.02 -0.02 -0.01 0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.00 -0.02 0.00 -0.00 -0.01 -0.00 -0.00 0.08 0.00 -0.00 -0.10 -0.01 0.00 -0.10 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.09 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.12 0.11 -0.03 -0.10 0.08 0.00 -0.01 0.00 0.00 0.08 -0.07 0.01 0.06 -0.05 -0.01 0.55 0.04 -0.00 0.55 0.05 0.01 -0.04 -0.00 -0.01 -0.05 -0.00 0.00 -0.54 -0.02 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.02 0.00 -0.03 0.00 -0.01 0.05 -0.04 0.14 -0.02 0.03 0.01 0.02 -0.02 0.01 -0.01 0.01 -0.05 0.10 0.05 0.09 -0.00 -0.01 -0.07 -0.11 -0.03 -0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.02 0.01 -0.04 0.01 0.10 -0.18 -0.03 -0.33 0.13 0.03 -0.22 0.02 0.02 -0.17 0.00 -0.04 -0.07 -0.04 -0.43 -0.15 0.03 0.39 0.13 0.18 0.02 -0.42 -0.13 -0.19 -0.13 0.09 -0.06 -0.00 -0.02 0.00 -0.00 -0.04 0.05 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.06 0.00 0.00 0.01 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.00 -0.01 0.02 0.00 0.00 0.01 -0.00 -0.04 -0.01 0.04 -0.01 0.01 -0.07 0.05 0.04 -0.02 -0.12 -0.02 -0.03 0.05 -0.03 0.01 -0.02 -0.06 0.07 -0.06 0.01 -0.05 0.11 0.05 0.01 -0.06 0.01 0.00 0.00 0.00 -0.03 -0.04 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.05 0.04 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 -0.04 0.05 -0.03 0.04 -0.02 -0.18 0.03 0.19 -0.29 0.19 0.21 0.26 -0.25 0.00 -0.09 0.08 0.41 0.01 0.11 -0.13 -0.05 0.12 0.07 0.18 0.09 0.22 0.09 0.10 0.19 -0.35 -0.16 -0.08 -0.08 0.02 -0.02 0.01 0.06 -0.07 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.10 -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 0.02 -0.01 -0.00 0.01 0.00 0.02 -0.01 0.03 0.11 0.02 -0.14 0.10 -0.02 0.24 -0.21 -0.03 -0.01 -0.08 -0.01 -0.02 0.05 -0.01 -0.00 -0.03 -0.01 0.00 -0.06 -0.03 -0.03 0.07 0.06 0.05 -0.03 0.01 0.00 0.00 -0.03 0.11 0.13 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.04 -0.21 -0.15 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.04 -0.05 0.05 -0.01 -0.02 -0.04 -0.15 0.09 0.14 -0.04 0.06 0.12 0.26 -0.17 -0.01 0.02 0.05 0.29 0.04 0.09 0.09 0.03 0.07 -0.14 0.04 -0.03 0.12 0.25 0.12 0.20 -0.17 -0.15 -0.03 -0.06 0.05 -0.02 0.05 -0.23 0.27 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.31 -0.04 -0.01 0.04 -0.04 0.00 0.02 -0.00 0.00 -0.03 -0.00 -0.00 -0.03 -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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.06 -0.04 0.01 0.06 -0.04 -0.00 0.01 0.00 0.00 0.04 -0.03 -0.01 -0.07 0.05 -0.01 -0.07 0.06 -0.00 -0.03 -0.01 0.00 0.02 0.01 -0.00 0.02 0.01 -0.01 -0.00 0.00 0.01 0.00 0.01 0.00 -0.02 -0.01 0.01 0.01 0.00 -0.02 -0.02 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.01 0.00 0.01 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.04 -0.32 0.25 -0.02 -0.36 0.26 -0.00 0.01 0.00 0.05 0.42 -0.32 0.05 0.43 -0.31 0.02 -0.11 -0.01 -0.01 -0.10 -0.01 -0.02 0.01 -0.01 0.02 -0.02 -0.00 0.00 0.10 -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 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.04 -0.02 -0.06 0.07 -0.01 0.00 -0.04 0.03 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.01 0.00 -0.00 0.01 -0.27 0.24 0.19 0.14 0.01 0.13 0.34 -0.12 0.00 -0.17 0.01 0.01 -0.07 -0.02 -0.37 -0.14 0.05 0.31 -0.24 -0.18 -0.25 0.11 -0.06 -0.12 0.39 0.10 0.09 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 0.01 0.06 -0.05 -0.01 -0.06 0.05 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.08 0.06 0.01 0.08 -0.05 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.01 0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.34 0.26 0.03 0.36 -0.26 -0.00 0.00 0.00 0.04 0.44 -0.34 -0.05 -0.41 0.31 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.02 -0.00 0.01 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 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.09 -0.02 -0.01 0.09 0.02 0.00 0.09 0.00 0.00 -0.09 -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 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.03 -0.02 -0.02 0.47 0.02 -0.02 -0.48 -0.03 0.00 -0.50 -0.04 -0.01 0.51 0.03 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.02 0.00 0.00 -0.00 -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 -0.07 -0.06 0.04 0.07 0.09 0.00 -0.01 0.00 -0.10 -0.00 -0.02 0.01 0.03 0.01 0.01 -0.03 -0.01 -0.10 0.00 -0.02 -0.11 0.01 -0.29 -0.19 -0.05 0.25 0.04 0.03 -0.04 0.02 0.05 0.06 0.30 -0.05 0.04 0.01 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.02 -0.00 -0.01 0.02 0.00 -0.01 0.01 0.01 0.01 0.00 -0.02 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.04 -0.03 -0.13 0.01 0.03 0.14 0.00 -0.00 -0.01 -0.03 -0.07 0.09 -0.01 0.05 -0.08 -0.06 0.04 -0.33 -0.15 0.19 0.31 0.07 -0.15 -0.06 0.05 -0.31 0.05 0.31 0.27 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 -0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.04 0.03 0.03 -0.03 -0.03 -0.00 0.09 0.01 -0.01 0.08 -0.00 -0.04 -0.10 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.26 0.06 0.03 0.24 -0.02 0.00 -0.52 -0.02 -0.01 -0.49 -0.04 -0.05 0.57 0.03 -0.01 0.01 0.00 0.01 -0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.00 0.06 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.02 -0.04 -0.01 0.02 0.01 0.04 0.00 0.01 -0.01 -0.01 0.02 0.01 0.01 -0.01 0.01 -0.02 -0.00 -0.01 0.00 0.02 -0.05 0.12 -0.14 -0.18 0.06 0.15 0.21 0.00 -0.02 0.00 -0.18 -0.00 -0.03 0.01 0.07 0.10 0.03 -0.07 -0.09 -0.17 0.00 -0.03 0.04 -0.02 0.15 0.08 0.01 -0.13 0.12 0.02 -0.16 0.06 -0.01 0.19 -0.12 -0.00 -0.02 0.01 -0.02 -0.02 0.04 0.02 0.03 -0.01 -0.02 0.02 -0.05 0.03 0.02 0.04 -0.05 -0.01 0.01 -0.02 -0.08 -0.01 -0.03 0.07 0.01 -0.03 0.03 0.05 0.05 0.01 -0.06 -0.02 -0.03 0.02 0.05 0.01 0.04 -0.02 0.01 -0.01 0.05 -0.06 -0.04 -0.23 -0.28 -0.14 0.21 0.29 0.00 0.02 -0.05 -0.13 0.13 0.13 -0.10 -0.11 -0.18 -0.03 0.04 0.17 0.02 -0.03 -0.17 0.09 -0.03 -0.20 0.02 0.02 0.21 -0.12 0.00 -0.02 -0.03 0.04 0.01 -0.01 -0.01 -0.03 -0.01 0.06 -0.03 -0.01 0.01 0.21 0.01 -0.03 -0.04 -0.04 0.00 -0.04 -0.05 -0.15 -0.05 0.09 0.02 0.10 0.01 0.02 -0.05 -0.02 0.07 0.03 0.05 -0.04 0.04 -0.01 -0.01 -0.00 0.00 0.05 -0.17 -0.02 0.04 0.04 -0.01 -0.02 -0.03 0.01 -0.08 0.02 0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.02 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.02 -0.00 0.02 -0.01 0.00 -0.03 0.01 -0.00 0.00 0.03 -0.07 -0.06 0.22 0.08 0.08 -0.04 -0.04 0.09 -0.17 0.10 0.10 0.18 -0.19 -0.02 0.05 -0.07 -0.32 -0.04 -0.11 0.27 0.03 -0.12 0.12 0.20 0.21 0.02 -0.25 -0.07 -0.14 0.10 0.20 0.03 0.16 -0.06 0.03 -0.03 0.16 -0.22 0.04 0.00 0.13 0.04 -0.04 -0.05 0.00 0.09 -0.20 0.06 0.00 -0.04 0.01 0.01 0.03 0.01 0.00 -0.02 0.01 0.01 0.02 -0.01 -0.00 0.03 0.00 -0.00 -0.03 0.00 0.00 -0.00 0.06 -0.05 -0.02 0.01 -0.01 -0.03 -0.00 0.00 0.01 0.00 -0.01 -0.06 -0.00 0.01 0.01 -0.03 0.00 -0.00 -0.08 0.06 0.02 -0.03 0.03 0.03 0.03 0.01 -0.03 -0.02 -0.00 -0.00 0.02 -0.03 0.05 0.03 -0.00 0.00 0.00 -0.01 0.03 0.02 0.05 0.08 0.03 -0.05 -0.06 -0.00 0.01 -0.00 -0.08 -0.01 -0.02 0.00 -0.08 -0.12 -0.05 0.09 0.12 -0.10 0.00 -0.02 -0.02 -0.00 0.04 -0.01 0.00 -0.04 0.07 0.01 -0.13 0.03 -0.01 0.14 0.03 0.00 0.00 -0.03 0.11 0.01 0.01 0.04 0.02 0.03 -0.08 0.04 -0.14 0.07 0.06 0.10 -0.14 -0.02 0.03 0.00 0.01 0.01 0.01 0.09 0.03 -0.01 -0.09 0.08 0.11 -0.04 -0.20 -0.08 -0.14 0.14 0.16 0.04 0.00 0.02 -0.03 0.00 -0.07 0.06 0.21 0.14 0.19 0.32 -0.13 -0.14 0.00 -0.04 0.07 0.25 -0.18 -0.18 0.13 0.16 0.24 -0.11 -0.01 0.07 -0.08 0.02 -0.10 -0.03 0.01 -0.21 -0.08 -0.02 0.19 0.04 -0.00 0.00 -0.07 0.06 0.02 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 0.08 0.00 -0.00 -0.02 0.06 -0.01 -0.01 0.11 -0.07 -0.01 -0.06 -0.04 0.01 -0.06 -0.04 0.06 0.05 0.02 0.01 -0.02 0.04 -0.08 0.01 0.00 0.00 -0.00 0.02 -0.05 0.01 0.02 0.04 0.02 -0.02 -0.03 0.00 -0.02 0.00 -0.03 -0.00 -0.01 0.00 -0.03 -0.05 -0.02 0.04 0.05 -0.04 0.00 -0.01 -0.01 -0.00 0.02 -0.00 -0.00 -0.02 0.03 0.00 -0.06 0.01 -0.00 0.07 0.02 0.00 0.00 0.08 -0.07 -0.01 -0.08 -0.04 0.02 -0.08 0.20 -0.08 0.31 -0.15 -0.13 -0.19 0.30 0.03 -0.05 -0.02 -0.12 -0.04 -0.05 -0.12 -0.06 -0.02 0.24 -0.09 -0.14 0.09 0.30 0.12 0.22 -0.26 -0.26 -0.07 -0.02 0.00 0.03 -0.01 0.11 -0.09 0.08 0.07 0.06 0.15 -0.06 -0.07 -0.01 0.05 -0.08 0.12 -0.09 -0.07 0.07 0.07 0.11 -0.06 -0.01 0.03 -0.05 0.01 -0.05 -0.02 0.01 -0.10 -0.05 -0.01 0.09 0.02 -0.00 0.00 0.10 -0.09 -0.03 0.06 0.01 -0.02 0.00 -0.03 -0.04 -0.01 0.02 0.20 0.00 -0.01 -0.04 -0.00 -0.00 0.02 -0.04 0.23 0.07 -0.14 -0.13 0.02 0.02 -0.01 0.03 0.00 -0.06 -0.02 -0.02 -0.00 0.02 0.04 0.01 0.01 0.00 0.07 -0.15 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.04 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.02 0.01 0.01 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.02 -0.00 0.00 -0.02 -0.01 -0.00 -0.00 0.00 0.36 0.05 -0.22 -0.25 0.01 0.09 -0.06 -0.06 0.03 -0.04 -0.05 -0.10 0.06 0.01 -0.01 0.06 0.29 0.04 0.09 -0.15 -0.01 0.10 -0.14 -0.07 -0.05 -0.07 -0.03 -0.03 -0.05 0.09 0.03 0.03 -0.19 0.09 -0.07 -0.05 0.35 -0.27 -0.09 -0.01 -0.10 -0.04 0.03 0.01 -0.02 0.14 -0.24 -0.03 -0.01 -0.00 -0.05 0.00 -0.01 0.03 0.01 -0.01 0.02 -0.00 0.02 0.02 -0.01 0.04 0.03 0.00 -0.03 -0.01 0.00 -0.00 -0.05 0.03 0.01 -0.05 0.01 0.03 -0.01 0.01 -0.00 -0.00 0.00 0.03 0.00 -0.01 -0.00 -0.01 0.02 0.05 0.03 -0.03 -0.08 0.08 -0.02 0.00 0.06 0.05 0.01 -0.01 -0.10 -0.03 -0.04 0.05 0.01 -0.03 -0.00 -0.00 0.00 0.01 -0.03 -0.01 0.01 0.02 -0.00 -0.01 -0.02 0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 0.00 0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.02 0.01 0.00 -0.04 -0.00 -0.00 0.04 0.03 0.00 0.01 0.03 -0.17 -0.07 0.10 -0.03 -0.01 0.21 -0.25 -0.05 -0.27 0.10 0.02 -0.08 -0.10 -0.01 -0.04 0.09 0.47 0.08 0.16 -0.22 0.00 0.16 -0.31 -0.21 -0.17 -0.11 0.18 0.02 0.03 0.11 -0.06 0.03 0.18 -0.15 0.05 -0.01 0.05 -0.05 0.03 0.02 0.05 0.04 -0.03 -0.03 0.00 0.03 -0.05 0.02 -0.00 0.01 0.04 0.00 0.01 -0.08 -0.01 0.04 -0.07 0.01 -0.06 -0.07 0.01 -0.10 -0.09 -0.01 0.07 0.04 -0.00 0.01 0.01 -0.01 -0.01 0.00 0.01 0.02 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 0.02 0.03 0.01 -0.02 -0.04 -0.02 -0.01 -0.01 -0.00 0.03 0.01 0.01 -0.02 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.04 0.01 0.00 -0.04 -0.01 -0.02 -0.00 0.00 -0.00 0.11 0.01 0.02 -0.00 0.03 0.04 0.02 -0.03 -0.04 0.10 -0.00 0.02 -0.05 0.00 0.04 -0.03 0.00 -0.06 -0.02 0.00 -0.09 -0.05 -0.00 0.08 0.13 0.00 0.02 -0.04 0.05 0.03 -0.01 -0.02 -0.04 -0.06 0.07 0.02 0.07 -0.02 0.00 0.04 0.01 0.00 0.02 -0.03 -0.12 -0.02 -0.04 0.07 0.00 -0.04 0.07 0.07 0.06 0.02 -0.08 -0.02 -0.03 -0.02 0.04 -0.00 -0.09 0.05 -0.02 -0.00 0.01 -0.00 -0.12 -0.02 -0.04 -0.17 0.03 0.01 -0.00 0.02 -0.02 -0.16 0.08 0.09 -0.08 -0.07 -0.12 -0.34 -0.04 0.16 -0.28 0.03 -0.26 -0.31 0.03 -0.33 -0.40 -0.03 0.22 0.14 -0.00 0.03 -0.01 0.02 0.01 0.16 -0.09 -0.21 0.00 0.02 0.06 0.00 -0.01 -0.08 -0.00 0.01 -0.02 -0.00 -0.01 0.01 -0.03 -0.07 -0.06 -0.19 0.12 0.28 0.03 0.02 0.02 0.01 -0.03 -0.01 -0.02 0.04 -0.00 0.10 -0.02 -0.00 0.00 0.01 -0.01 -0.03 0.00 -0.00 -0.01 0.02 0.03 0.00 -0.02 0.03 0.06 -0.01 0.00 -0.02 0.00 0.01 -0.08 0.01 -0.00 0.07 0.01 0.01 -0.00 -0.00 0.02 -0.01 -0.00 -0.01 -0.03 -0.00 0.00 -0.02 0.00 -0.01 0.03 0.00 0.00 0.22 -0.01 -0.06 -0.21 0.11 0.28 0.11 -0.11 -0.05 -0.13 0.03 -0.02 -0.09 0.00 0.00 -0.01 0.03 0.14 0.01 0.04 -0.09 -0.01 0.04 -0.04 -0.11 -0.10 -0.03 0.14 0.04 0.05 0.03 -0.06 0.01 0.24 -0.10 0.04 0.01 -0.10 0.03 -0.16 -0.06 -0.08 -0.19 0.08 0.09 0.01 -0.16 0.21 -0.10 0.04 0.02 -0.28 -0.07 -0.12 -0.10 0.01 0.06 -0.09 0.01 -0.08 -0.11 0.00 -0.06 -0.11 -0.00 0.03 0.03 0.00 -0.01 -0.10 0.06 0.04 0.02 0.01 -0.00 0.03 -0.05 -0.02 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.31 -0.02 0.02 -0.16 -0.04 -0.07 0.00 0.05 -0.07 -0.07 0.01 -0.01 -0.01 -0.06 0.06 0.01 0.01 0.01 -0.00 0.00 0.04 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -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 0.35 -0.03 0.03 -0.34 -0.06 -0.02 -0.05 -0.06 0.12 -0.23 0.15 0.14 0.19 -0.22 -0.03 0.13 -0.01 -0.01 0.04 0.03 0.24 0.09 -0.05 -0.24 0.06 0.10 -0.09 -0.24 -0.13 -0.18 0.20 0.19 0.06 -0.07 0.03 0.05 -0.00 0.10 0.01 -0.06 0.01 -0.07 0.02 -0.00 -0.01 -0.01 0.03 -0.03 0.02 -0.02 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.00 -0.00 0.00 -0.00 0.03 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.07 -0.10 0.00 -0.06 0.11 0.00 -0.03 0.06 0.00 -0.06 -0.04 0.00 -0.07 -0.01 -0.00 0.09 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.00 0.01 -0.04 0.00 0.01 0.00 -0.00 0.00 0.03 0.02 -0.05 -0.01 0.02 -0.04 -0.44 -0.04 0.05 0.41 -0.04 0.19 0.25 0.01 0.08 -0.26 0.01 0.00 -0.10 -0.03 0.62 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 0.07 -0.00 -0.00 0.00 0.02 0.00 0.05 -0.12 0.00 -0.00 -0.00 0.03 0.01 0.01 -0.00 -0.07 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.06 -0.14 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.05 0.20 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.01 -0.11 -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.06 0.03 -0.00 0.09 -0.68 0.07 -0.02 -0.01 -0.02 -0.01 0.00 -0.00 -0.01 -0.23 0.59 0.01 -0.01 -0.01 0.02 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 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 0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.02 -0.03 -0.00 -0.00 0.00 -0.07 0.02 0.01 0.07 0.01 0.03 -0.00 0.00 0.00 0.01 -0.03 -0.04 0.06 0.03 0.05 -0.07 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.02 0.00 -0.03 -0.03 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.03 0.01 -0.00 0.00 -0.01 0.00 -0.32 -0.08 -0.13 0.62 -0.15 -0.14 0.00 -0.00 0.01 0.33 -0.05 -0.01 -0.46 -0.14 -0.25 -0.06 0.03 0.03 0.04 0.03 0.04 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.04 0.00 -0.03 0.05 0.00 -0.01 -0.01 -0.00 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 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 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.17 0.01 -0.06 -0.15 0.01 -0.11 -0.40 0.01 -0.31 0.48 0.01 -0.18 -0.10 -0.03 0.63 -0.01 -0.00 0.00 -0.06 -0.01 0.01 -0.04 0.25 0.17 0.02 -0.05 -0.11 0.01 -0.07 0.13 0.02 0.02 0.06 0.04 0.04 0.00 0.01 -0.10 -0.01 -0.01 -0.01 -0.03 -0.01 0.00 -0.02 0.00 -0.02 -0.02 0.13 -0.00 0.01 -0.01 0.06 -0.12 -0.02 -0.01 -0.01 0.00 0.01 0.02 0.01 -0.07 -0.07 -0.01 -0.01 -0.01 0.01 -0.02 -0.03 -0.02 0.03 0.04 0.02 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.07 -0.26 0.03 -0.07 -0.43 -0.06 -0.09 0.05 0.06 0.06 0.01 0.07 0.14 -0.04 -0.01 0.05 0.01 -0.01 0.01 0.01 0.02 0.02 -0.02 -0.05 0.04 0.02 0.05 -0.06 0.00 0.02 -0.10 -0.02 -0.03 -0.00 -0.01 0.01 0.03 -0.15 -0.04 -0.34 -0.12 -0.22 -0.25 0.10 0.10 -0.00 0.06 -0.28 0.23 -0.09 -0.09 0.05 0.05 0.09 0.02 0.00 -0.00 0.03 0.00 0.02 -0.05 0.00 -0.04 -0.04 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.07 0.02 -0.00 0.03 0.00 0.00 -0.01 -0.06 0.00 0.10 0.15 -0.02 0.08 -0.00 0.01 0.03 0.02 -0.02 -0.05 -0.06 0.00 -0.01 -0.05 0.02 -0.05 -0.06 -0.02 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 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 0.03 -0.47 0.04 -0.03 -0.10 0.01 -0.18 0.14 0.11 0.19 -0.03 0.11 0.28 -0.05 -0.01 0.00 0.02 0.02 0.02 0.02 -0.06 0.00 0.03 -0.09 0.14 0.08 0.13 -0.18 0.02 0.07 -0.27 -0.03 -0.08 0.29 -0.20 0.03 -0.04 0.31 -0.11 0.04 0.02 0.03 0.01 -0.01 -0.01 0.01 -0.16 0.24 -0.02 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 -0.01 0.00 -0.00 0.01 -0.03 -0.03 -0.00 0.01 0.02 -0.00 0.01 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.02 -0.03 -0.00 -0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.02 -0.00 -0.00 0.01 0.01 0.02 0.00 0.00 -0.00 0.05 0.00 -0.02 0.04 -0.00 0.03 -0.04 0.00 -0.02 -0.04 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.02 -0.00 -0.02 0.06 0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 0.02 0.01 -0.20 -0.07 -0.11 -0.16 0.06 0.06 0.00 -0.00 0.03 0.26 -0.07 -0.07 0.12 0.05 0.10 0.41 0.02 -0.15 0.35 -0.02 0.28 -0.35 0.01 -0.27 -0.40 -0.01 0.15 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.05 0.01 -0.00 0.01 -0.05 -0.08 -0.00 -0.01 0.04 -0.00 0.04 -0.01 -0.02 0.02 0.01 -0.02 0.00 0.00 0.02 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.09 -0.01 -0.01 0.00 -0.03 0.04 -0.04 -0.00 -0.01 -0.01 0.01 0.02 -0.00 0.03 0.01 -0.01 -0.01 -0.02 0.03 -0.01 -0.01 0.00 0.03 0.04 0.03 0.00 -0.00 -0.03 -0.00 0.01 -0.02 0.00 -0.02 0.02 -0.00 0.02 0.02 0.00 -0.01 0.01 0.00 0.00 0.07 -0.02 0.00 -0.05 0.18 0.07 0.00 0.01 -0.01 0.02 -0.01 -0.01 0.01 0.00 0.00 -0.03 0.00 0.01 -0.00 -0.00 -0.04 -0.01 0.02 0.02 0.03 0.02 0.02 -0.02 0.01 0.01 -0.03 0.01 -0.01 0.12 -0.07 0.01 0.02 -0.13 0.08 -0.40 -0.15 -0.23 -0.32 0.12 0.12 -0.01 0.10 -0.08 0.40 -0.13 -0.11 0.13 0.08 0.13 -0.27 -0.01 0.10 -0.21 0.02 -0.16 0.17 -0.01 0.14 0.22 0.00 -0.09 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.01 -0.02 0.09 -0.01 0.05 -0.03 0.01 -0.06 -0.06 0.04 -0.04 -0.05 0.01 -0.03 -0.01 0.03 0.05 -0.02 -0.00 0.02 0.02 -0.02 0.01 0.01 -0.02 0.02 0.02 -0.03 -0.00 -0.01 -0.00 0.03 -0.01 -0.03 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.03 0.01 -0.00 -0.00 -0.00 0.03 -0.00 0.00 0.02 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.18 0.09 -0.01 -0.01 -0.17 -0.05 0.02 -0.02 -0.01 -0.06 0.02 -0.02 -0.07 0.02 0.00 0.05 -0.01 -0.01 0.01 0.01 0.08 0.02 -0.03 -0.02 -0.08 -0.04 -0.07 0.06 -0.02 -0.04 0.10 -0.00 0.03 -0.22 0.14 -0.03 -0.07 0.51 -0.18 -0.16 -0.05 -0.09 -0.15 0.04 0.04 0.03 -0.31 0.38 0.26 -0.08 -0.06 0.17 0.06 0.10 -0.10 -0.01 0.04 -0.08 0.01 -0.06 0.07 -0.00 0.06 0.10 0.00 -0.03 0.00 0.00 0.00 0.01 0.00 -0.00 -0.13 0.01 -0.01 0.00 -0.04 -0.03 -0.00 0.00 0.03 -0.00 0.01 -0.03 0.26 0.01 -0.01 -0.04 -0.02 -0.03 0.06 0.01 0.02 -0.07 -0.00 -0.01 -0.10 -0.01 0.00 -0.07 -0.00 0.02 0.21 -0.02 0.00 0.00 -0.02 0.01 0.06 0.02 0.03 0.03 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.02 -0.02 -0.08 -0.01 -0.03 -0.04 0.03 0.03 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.26 -0.05 -0.02 -0.04 0.11 0.08 -0.17 0.18 0.05 0.05 0.01 0.08 0.06 0.11 0.01 0.22 -0.00 0.07 0.07 0.10 0.27 0.10 -0.06 -0.27 -0.18 -0.10 -0.16 -0.01 -0.08 -0.14 0.08 -0.03 0.03 -0.11 0.07 -0.02 -0.01 0.10 -0.03 0.03 0.00 0.00 0.02 0.02 0.02 -0.00 -0.00 0.04 -0.34 0.07 0.04 -0.34 -0.08 -0.15 0.02 0.01 -0.00 0.05 -0.01 0.04 -0.05 0.00 -0.03 -0.06 -0.00 0.02 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.12 -0.01 -0.02 -0.00 0.00 -0.03 0.01 -0.05 0.01 -0.01 0.04 0.04 0.20 -0.01 0.06 -0.04 0.01 -0.03 -0.01 -0.01 0.07 -0.06 0.00 -0.03 -0.08 0.00 -0.02 -0.05 0.00 -0.01 -0.20 0.00 -0.02 0.00 -0.01 -0.02 -0.06 -0.01 -0.02 -0.03 -0.00 -0.01 -0.00 0.03 -0.00 0.00 0.01 0.02 0.07 0.01 0.03 0.05 -0.02 -0.02 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.18 -0.04 -0.02 -0.01 -0.03 0.07 -0.17 0.11 0.11 0.05 0.04 0.12 0.10 0.02 0.00 0.20 -0.01 0.01 0.05 0.07 0.21 0.10 -0.08 -0.23 -0.14 -0.10 -0.08 0.01 -0.03 -0.07 0.00 -0.08 -0.00 -0.12 0.08 -0.01 0.04 -0.34 0.10 0.02 0.02 0.03 -0.05 -0.01 -0.01 -0.02 0.23 -0.27 0.32 -0.06 -0.03 0.32 0.08 0.14 -0.03 -0.01 0.01 -0.04 0.01 -0.03 0.04 -0.00 0.03 0.05 0.00 -0.02 0.00 0.00 -0.00 0.01 -0.00 0.02 0.02 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.02 0.25 -0.12 0.03 -0.09 -0.01 0.00 0.01 0.02 -0.01 -0.08 0.05 0.01 -0.09 0.03 0.01 -0.08 0.04 -0.03 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 -0.01 -0.07 0.05 0.05 0.02 0.16 -0.18 0.27 -0.17 -0.13 -0.00 0.23 0.04 -0.06 0.04 0.33 0.11 0.18 -0.13 -0.09 0.20 -0.07 0.14 0.19 -0.11 -0.25 -0.10 -0.13 0.02 0.25 0.01 -0.33 0.19 -0.02 0.01 -0.06 0.02 0.03 0.02 0.02 -0.01 0.00 0.00 -0.00 0.02 -0.04 0.03 -0.00 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 -0.03 0.02 -0.03 0.02 0.00 0.02 0.00 0.03 0.00 -0.00 0.03 -0.00 0.00 -0.01 0.02 0.08 0.02 -0.12 -0.07 0.02 0.09 -0.05 -0.03 -0.04 -0.02 -0.02 0.04 -0.02 -0.01 0.02 -0.02 -0.01 0.04 -0.01 0.02 0.03 0.00 -0.00 0.00 -0.02 -0.01 -0.02 0.01 -0.01 -0.01 0.00 -0.03 -0.02 -0.01 0.02 0.03 0.02 -0.01 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 0.02 0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.43 -0.11 0.09 0.28 -0.01 -0.14 -0.01 0.09 -0.07 0.04 -0.05 -0.06 -0.09 0.13 0.02 0.01 0.02 0.10 0.02 0.02 0.12 -0.00 0.00 -0.01 -0.05 0.01 -0.12 -0.01 -0.06 -0.10 0.11 0.06 0.04 0.59 -0.35 0.05 -0.00 0.01 -0.00 -0.04 -0.04 -0.03 0.03 -0.01 -0.02 0.01 -0.12 0.10 0.06 -0.02 -0.02 0.01 -0.00 -0.00 0.03 0.00 -0.02 -0.03 0.00 -0.03 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 -0.01 0.01 0.05 -0.11 -0.03 0.21 0.05 -0.01 0.03 0.15 0.01 0.01 0.06 0.00 -0.00 -0.03 -0.00 -0.08 0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.01 -0.01 -0.02 0.01 -0.07 0.01 0.01 0.01 0.01 -0.02 0.01 0.01 0.03 -0.15 -0.16 -0.01 -0.03 -0.04 -0.01 0.01 0.01 0.01 0.01 0.01 0.02 0.00 -0.04 -0.01 -0.00 0.01 0.01 -0.00 0.02 0.01 -0.00 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.01 -0.03 0.14 -0.04 -0.04 0.24 0.09 -0.03 -0.00 0.04 0.02 0.01 0.04 0.05 -0.02 -0.01 0.01 -0.01 -0.02 0.00 0.02 -0.03 0.01 0.01 -0.05 -0.00 -0.02 0.03 -0.02 0.02 0.03 -0.05 -0.02 -0.02 -0.11 0.06 -0.01 0.03 -0.23 0.06 0.01 0.00 0.02 0.04 -0.01 -0.01 0.07 -0.65 0.45 -0.03 0.02 0.02 0.08 0.03 0.06 -0.08 -0.00 0.04 0.04 -0.00 0.03 -0.04 0.00 -0.02 0.02 0.00 -0.01 -0.00 -0.00 0.02 0.01 -0.00 0.01 -0.02 -0.00 -0.01 0.00 0.00 -0.03 -0.01 0.04 0.01 -0.00 0.01 0.02 -0.01 0.01 0.04 0.01 -0.01 -0.03 0.01 -0.01 0.02 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.04 0.07 0.00 -0.02 0.00 -0.07 -0.02 -0.04 0.05 -0.05 -0.06 0.00 -0.02 -0.03 0.07 0.12 0.17 0.07 -0.05 -0.06 -0.03 -0.03 -0.04 -0.13 -0.02 0.19 0.05 0.01 -0.05 -0.07 0.01 -0.09 -0.04 0.00 -0.08 0.10 0.00 -0.02 -0.01 -0.00 0.07 -0.10 0.09 -0.04 0.01 0.07 0.03 -0.01 -0.01 0.03 0.00 0.01 0.03 0.03 -0.03 -0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.04 0.01 0.01 -0.03 0.01 -0.01 0.03 -0.01 0.02 0.03 -0.04 -0.02 -0.01 -0.16 0.09 -0.01 0.00 -0.03 0.01 -0.01 -0.00 0.00 -0.21 0.03 0.02 0.01 -0.11 0.08 0.19 -0.09 -0.09 -0.38 -0.16 -0.28 0.42 0.02 -0.20 -0.15 0.01 -0.15 0.25 -0.01 0.14 -0.09 -0.01 0.05 0.02 0.01 -0.12 -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 -0.03 -0.01 0.01 0.02 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.04 0.00 -0.00 -0.00 -0.07 0.04 0.05 -0.05 -0.03 -0.04 0.00 -0.00 -0.00 0.27 -0.04 -0.00 0.05 0.01 0.01 0.06 0.03 0.05 -0.24 0.01 -0.15 -0.10 -0.00 0.05 -0.02 -0.00 0.01 0.10 0.00 -0.01 -0.00 -0.01 0.09 -0.00 0.00 -0.04 0.03 -0.08 0.02 -0.07 -0.05 0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.02 -0.02 0.01 0.00 0.00 0.01 0.02 -0.00 -0.01 0.02 -0.00 -0.01 0.02 -0.00 0.01 -0.02 0.01 -0.01 -0.02 0.02 0.01 0.01 0.08 -0.05 0.01 0.00 -0.02 0.00 -0.24 -0.01 -0.05 -0.32 0.05 0.03 0.00 -0.00 -0.00 -0.30 0.11 0.13 -0.18 -0.06 -0.12 0.16 -0.00 -0.06 0.36 -0.01 0.32 0.14 0.00 0.01 0.36 0.01 -0.04 -0.01 -0.00 0.06 0.01 -0.00 0.01 -0.04 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.02 0.01 0.04 0.09 -0.01 -0.07 -0.05 -0.03 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 -0.02 -0.00 0.00 -0.01 -0.02 0.03 0.13 0.19 -0.00 0.01 0.02 -0.09 -0.06 -0.10 0.14 -0.05 -0.05 -0.00 0.01 0.02 -0.05 0.11 0.17 0.12 -0.06 -0.07 -0.13 -0.05 -0.09 0.05 -0.01 -0.19 -0.12 -0.00 0.06 0.11 -0.00 0.10 0.11 -0.00 0.10 -0.14 -0.00 0.05 0.02 0.01 -0.14 0.09 0.46 -0.09 0.36 0.12 -0.10 -0.04 0.01 0.04 0.02 0.02 0.07 0.07 0.00 -0.01 -0.00 -0.03 -0.05 0.01 0.05 -0.09 0.02 0.05 -0.12 0.00 -0.02 0.04 -0.04 0.03 0.05 -0.07 -0.01 -0.03 -0.16 0.10 -0.01 -0.01 0.07 -0.00 -0.05 -0.07 -0.07 0.05 -0.02 -0.02 -0.01 0.03 -0.01 -0.16 0.02 -0.00 0.10 0.02 0.06 0.01 -0.01 0.01 -0.04 -0.01 -0.02 -0.19 0.01 -0.13 0.18 0.01 -0.07 -0.02 -0.01 0.14 0.00 0.00 0.00 0.01 0.01 0.03 0.00 0.05 0.01 0.00 -0.01 -0.02 0.01 -0.05 -0.05 0.03 0.06 0.10 -0.04 -0.08 -0.02 -0.06 -0.04 -0.04 -0.01 -0.02 -0.03 -0.01 -0.02 0.00 -0.00 -0.01 -0.03 0.00 -0.04 -0.06 -0.01 0.03 0.04 0.01 0.01 0.02 -0.03 0.01 0.01 -0.00 -0.00 0.04 0.02 -0.03 -0.04 -0.04 0.02 0.02 0.04 0.02 0.03 -0.01 0.00 0.01 0.02 -0.00 -0.01 -0.03 -0.00 -0.02 -0.02 0.00 -0.01 0.02 0.00 -0.00 -0.00 -0.00 0.03 0.34 0.67 -0.09 0.40 0.18 -0.14 -0.05 0.02 0.04 0.05 0.01 0.09 0.08 0.03 -0.01 -0.01 -0.04 -0.05 0.02 0.07 -0.10 0.02 0.07 -0.16 0.00 -0.03 0.04 -0.05 0.03 0.06 -0.07 0.00 -0.03 -0.03 0.02 -0.00 -0.02 0.09 0.03 0.01 -0.00 0.03 -0.09 0.03 0.03 -0.01 0.04 -0.02 0.12 -0.03 -0.02 -0.10 -0.03 -0.05 -0.05 -0.00 0.02 0.06 0.00 0.05 0.01 -0.00 0.01 0.01 -0.00 0.00 0.01 0.00 -0.04 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.03 0.01 -0.01 -0.02 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.06 -0.09 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.04 -0.01 -0.00 0.00 -0.00 0.00 -0.04 0.05 0.07 -0.05 0.01 0.01 0.04 0.01 0.02 0.03 -0.01 -0.05 -0.02 -0.00 0.01 0.03 0.00 0.03 0.03 -0.00 0.04 -0.05 -0.00 0.01 0.01 0.00 -0.04 -0.05 -0.14 0.02 -0.02 0.05 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.02 0.02 -0.00 -0.01 0.03 -0.00 0.00 -0.01 0.01 -0.01 -0.02 0.01 -0.00 0.01 0.01 -0.01 0.00 0.00 0.01 -0.00 0.42 0.16 0.26 -0.35 0.12 0.12 0.00 -0.01 0.00 0.45 -0.15 -0.13 -0.40 -0.15 -0.26 -0.03 0.00 0.01 -0.02 0.00 -0.01 -0.09 0.00 -0.06 0.06 0.00 -0.03 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 0.02 0.01 -0.09 0.06 0.00 -0.03 0.03 -0.02 0.13 0.09 -0.01 0.01 0.01 -0.00 -0.04 -0.00 -0.03 0.11 -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 0.02 -0.10 -0.12 -0.00 -0.01 -0.01 0.03 -0.01 -0.01 -0.01 0.06 -0.08 -0.01 0.01 0.03 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.04 0.08 0.00 -0.01 -0.06 0.00 -0.03 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.07 0.10 0.13 -0.02 0.24 -0.44 -0.22 -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 0.02 -0.02 -0.00 0.01 -0.01 0.01 0.01 0.01 0.00 0.01 0.02 0.00 0.02 -0.00 -0.04 0.03 -0.00 0.01 -0.05 -0.16 0.05 0.01 0.02 -0.08 0.02 0.03 0.01 -0.06 0.08 0.02 -0.02 -0.02 -0.07 -0.02 -0.04 -0.39 -0.02 0.16 0.31 -0.02 0.26 -0.18 0.00 -0.13 0.20 0.00 -0.07 0.04 0.01 -0.24 0.00 0.00 0.00 0.00 -0.00 0.02 0.00 -0.05 0.04 0.00 -0.02 0.01 -0.01 0.07 0.05 -0.00 0.01 0.01 -0.01 -0.03 0.00 -0.02 0.07 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.04 0.01 -0.06 -0.07 0.03 0.01 0.02 -0.03 0.01 0.01 -0.00 0.04 -0.05 0.01 -0.02 -0.04 -0.03 0.01 0.01 0.02 0.01 0.02 -0.01 -0.00 0.04 -0.09 -0.00 0.02 0.08 -0.00 0.05 0.02 0.00 0.00 -0.02 0.00 -0.00 0.01 0.00 -0.10 0.12 0.16 -0.02 0.13 -0.28 -0.14 -0.00 0.01 -0.00 0.00 0.00 0.02 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.02 0.00 0.01 -0.02 0.01 0.01 0.01 -0.00 0.01 0.02 0.00 0.02 -0.00 -0.01 0.01 0.00 0.01 -0.03 -0.10 -0.05 -0.02 -0.03 0.01 -0.00 -0.00 0.00 -0.03 0.05 0.03 -0.01 -0.01 -0.04 -0.01 -0.02 0.47 0.02 -0.20 -0.39 0.02 -0.33 0.21 -0.01 0.15 -0.24 -0.01 0.08 -0.05 -0.02 0.30 -0.01 0.00 -0.01 0.01 0.00 -0.02 -0.01 0.09 0.07 0.02 -0.13 0.04 -0.01 0.04 0.01 0.00 0.01 0.00 -0.01 -0.01 0.03 0.04 -0.07 -0.03 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.02 -0.00 -0.00 0.02 -0.13 -0.03 -0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.13 -0.08 0.00 -0.00 0.00 0.02 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.15 0.02 -0.40 0.57 0.25 -0.03 0.04 0.03 -0.04 0.01 0.02 -0.05 0.04 -0.01 -0.02 -0.02 -0.06 -0.02 0.01 -0.06 0.03 0.03 -0.07 -0.03 -0.04 -0.04 -0.06 -0.00 -0.02 -0.06 -0.01 -0.00 0.12 -0.08 0.01 -0.04 0.39 -0.22 0.06 0.03 0.04 0.03 -0.01 -0.01 0.00 -0.11 0.25 0.01 0.01 0.01 0.06 0.02 0.03 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 -0.02 -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 0.02 -0.01 -0.03 0.03 0.03 0.00 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.05 -0.09 -0.05 -0.05 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 0.25 0.01 -0.25 -0.04 0.07 0.03 -0.07 -0.03 0.09 -0.01 0.02 0.09 -0.02 0.01 0.03 0.08 0.19 0.07 -0.01 0.19 -0.10 -0.05 0.18 0.24 0.33 0.25 0.39 0.04 0.29 0.41 0.21 -0.01 0.12 -0.07 0.00 0.00 -0.01 0.00 0.03 0.02 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.02 0.00 0.00 0.01 0.00 0.03 -0.01 0.00 -0.03 0.01 -0.00 0.01 -0.01 0.01 -0.02 -0.02 0.00 0.04 -0.04 -0.05 -0.02 0.02 -0.06 0.05 0.03 -0.01 0.00 0.05 -0.04 -0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.02 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.07 -0.35 -0.02 0.38 0.18 -0.07 0.17 -0.23 -0.18 0.28 -0.08 -0.20 0.26 -0.26 0.07 0.00 -0.08 -0.18 -0.06 0.03 -0.15 0.09 0.03 -0.16 0.10 0.17 0.09 0.20 -0.01 0.06 0.20 0.05 0.01 -0.18 0.11 -0.00 -0.01 0.11 -0.04 -0.04 -0.03 -0.01 -0.01 0.01 0.01 -0.00 -0.02 0.06 -0.02 0.01 0.01 0.02 0.01 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.02 -0.02 -0.00 0.01 -0.00 -0.00 0.02 0.01 -0.01 0.02 0.01 0.00 0.01 0.00 0.03 -0.01 0.00 -0.03 0.01 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 0.03 -0.05 -0.06 -0.02 0.02 0.05 -0.03 -0.02 0.01 -0.00 -0.08 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.03 0.02 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.03 -0.02 0.01 -0.01 -0.02 0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.26 -0.03 0.44 0.16 -0.09 -0.13 0.17 0.14 -0.21 0.06 0.12 -0.22 0.15 -0.06 -0.06 0.12 0.27 0.11 -0.07 0.37 -0.19 -0.03 0.32 0.03 0.04 0.05 0.04 0.00 0.03 0.06 0.01 -0.00 -0.19 0.14 -0.01 -0.01 0.11 -0.03 -0.03 -0.02 -0.00 -0.02 0.01 0.01 -0.00 -0.03 0.06 -0.02 0.01 0.01 0.02 0.01 0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.02 -0.02 -0.00 0.01 -0.00 -0.00 0.02 0.01 -0.00 0.04 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.08 -0.01 -0.03 0.06 0.01 -0.02 -0.02 0.01 0.01 -0.00 0.00 -0.03 0.01 0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.77 -0.15 -0.05 -0.32 -0.08 0.07 0.04 -0.06 -0.04 0.08 -0.03 -0.06 0.07 -0.08 0.02 0.06 0.05 0.12 0.05 -0.00 0.11 -0.06 -0.07 0.14 -0.05 -0.07 -0.02 -0.06 0.01 -0.03 -0.05 -0.04 0.00 -0.30 0.20 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.02 0.04 -0.02 -0.02 0.00 -0.01 0.01 0.02 -0.01 -0.02 -0.01 -0.02 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.00 -0.02 0.03 0.00 -0.01 0.01 0.00 -0.03 -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.03 -0.02 0.02 -0.02 0.00 0.00 -0.06 0.05 0.02 0.01 -0.00 -0.08 0.05 0.03 0.02 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -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 -0.25 0.19 0.01 0.07 0.02 -0.02 0.16 -0.25 -0.16 0.29 -0.07 -0.17 0.28 -0.25 0.07 -0.02 0.13 0.27 0.10 -0.06 0.31 -0.16 -0.05 0.28 -0.12 -0.18 -0.09 -0.21 -0.00 -0.12 -0.20 -0.10 0.00 0.12 -0.06 -0.00 -0.00 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.03 0.00 -0.02 0.01 -0.00 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 0.01 0.01 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.05 -0.07 -0.00 0.01 -0.01 -0.16 -0.00 -0.02 0.18 -0.00 0.02 0.00 -0.02 0.01 -0.01 -0.06 -0.08 0.14 0.01 0.04 -0.14 0.02 0.01 0.01 0.01 -0.02 0.03 -0.00 0.03 -0.03 -0.00 0.02 -0.08 0.00 -0.03 0.08 0.00 -0.01 0.00 0.00 -0.02 0.17 0.03 -0.00 -0.13 -0.07 0.00 0.01 -0.02 -0.00 0.03 -0.01 -0.02 0.01 -0.02 0.00 0.02 0.01 0.02 0.00 0.00 0.00 -0.00 -0.02 0.02 -0.01 -0.02 -0.01 -0.02 0.00 0.00 -0.01 0.00 -0.00 -0.03 0.02 0.00 0.01 -0.05 0.01 0.34 0.20 0.30 -0.34 0.17 0.19 0.00 0.01 -0.03 -0.26 0.14 0.17 0.10 0.12 0.19 -0.01 0.01 0.05 -0.04 0.01 0.03 0.16 -0.01 0.16 -0.24 -0.01 0.11 -0.04 -0.01 0.25 0.00 -0.00 0.00 0.00 -0.01 -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 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.04 0.06 0.00 -0.00 0.01 0.05 -0.01 -0.01 -0.05 -0.01 -0.03 -0.00 0.00 -0.00 -0.00 0.03 0.07 -0.06 -0.00 -0.02 0.06 -0.01 -0.00 0.02 -0.00 -0.15 0.08 -0.00 0.07 -0.10 -0.00 0.04 -0.14 0.00 -0.02 0.14 0.00 0.03 0.02 0.01 -0.11 -0.00 -0.00 -0.00 -0.02 -0.02 0.01 0.01 0.01 -0.03 -0.02 0.01 0.01 0.02 0.03 0.00 0.02 0.01 0.02 -0.02 -0.01 -0.03 0.02 -0.04 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.02 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.06 -0.06 -0.09 0.08 -0.06 -0.07 0.00 -0.01 0.01 0.15 -0.08 -0.07 -0.09 -0.07 -0.10 -0.15 -0.01 0.17 0.10 -0.01 0.21 0.26 -0.02 0.31 -0.33 -0.02 0.22 -0.09 -0.03 0.59 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 -0.04 0.00 -0.02 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.00 0.01 -0.02 0.02 0.00 0.02 -0.04 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.03 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.04 -0.01 0.00 0.04 -0.17 -0.04 -0.03 0.08 0.01 -0.04 -0.03 -0.13 -0.04 -0.10 0.00 0.23 0.06 0.16 -0.13 -0.07 -0.19 0.17 -0.35 0.04 -0.13 -0.17 -0.22 -0.09 0.17 0.44 -0.11 0.52 -0.06 0.01 -0.01 0.00 -0.01 0.05 0.01 -0.00 0.00 0.00 -0.02 0.01 0.01 0.00 -0.02 0.05 -0.02 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 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 0.04 -0.05 0.00 -0.02 0.02 0.00 -0.01 -0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 0.02 -0.03 -0.04 -0.00 0.00 0.02 0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.04 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 -0.20 -0.03 0.19 -0.05 -0.38 -0.14 0.11 0.37 0.36 0.47 0.06 -0.02 0.07 0.14 -0.17 -0.22 -0.09 0.16 -0.21 -0.05 0.03 0.01 0.10 -0.01 -0.04 -0.13 0.06 -0.16 0.02 -0.01 0.01 -0.00 -0.01 0.06 0.02 0.01 0.01 0.01 -0.02 0.01 0.01 0.00 -0.03 0.06 -0.02 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 0.01 0.00 -0.01 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.05 0.06 -0.00 0.03 -0.02 -0.00 0.02 0.01 0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.03 -0.00 -0.00 0.00 0.01 0.01 -0.04 0.01 0.00 0.00 0.00 0.02 -0.05 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.03 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 -0.00 0.04 0.29 0.04 0.06 0.24 -0.29 -0.25 -0.01 -0.11 0.22 0.03 0.05 -0.01 -0.01 -0.01 0.01 0.01 0.03 -0.01 0.01 0.01 -0.11 -0.35 0.38 -0.38 0.15 0.23 0.32 0.07 -0.00 -0.01 0.01 -0.00 0.01 -0.06 -0.03 0.01 -0.00 0.01 0.03 -0.01 -0.01 -0.00 0.03 -0.07 0.03 -0.01 -0.00 0.02 0.00 0.01 0.01 0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.08 0.09 -0.00 0.04 -0.03 -0.01 0.03 0.02 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.02 -0.04 -0.01 -0.00 -0.01 0.01 0.03 -0.01 0.00 -0.02 0.02 0.01 0.00 0.01 0.00 0.03 -0.07 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.01 -0.04 0.03 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.02 -0.02 0.06 0.45 0.06 0.05 -0.13 -0.02 0.07 0.04 0.16 0.05 0.12 0.00 -0.17 0.11 0.21 -0.21 -0.37 0.02 0.17 -0.20 -0.08 0.01 0.16 -0.36 0.23 -0.03 0.04 -0.26 0.18 -0.02 -0.05 0.05 -0.00 0.01 -0.10 -0.04 0.00 -0.01 0.00 0.04 -0.01 -0.01 -0.00 0.06 -0.11 0.04 -0.01 -0.01 0.02 0.00 0.01 0.02 -0.00 -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 0.00 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 -0.03 -0.03 -0.00 0.01 0.00 0.00 0.00 0.00 -0.03 0.00 -0.03 0.01 -0.02 0.01 0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.07 0.00 -0.03 -0.04 0.00 0.09 -0.35 0.06 0.21 0.10 0.39 0.00 0.29 -0.01 -0.20 -0.08 -0.21 0.13 0.09 0.18 -0.16 0.34 -0.05 -0.12 -0.17 -0.09 -0.11 0.13 0.30 -0.01 0.32 -0.03 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.04 -0.04 0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.03 -0.01 0.01 0.01 0.00 0.02 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -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 0.04 0.08 0.00 -0.04 -0.35 0.35 0.36 0.02 0.19 -0.29 0.04 -0.06 0.18 0.06 0.17 -0.11 -0.06 -0.18 0.14 -0.28 0.04 -0.01 -0.14 0.33 -0.23 0.02 -0.06 0.25 -0.16 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -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 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.02 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.03 -0.02 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.04 -0.02 -0.00 0.01 0.00 0.01 0.02 -0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.02 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.00 0.00 -0.01 -0.02 0.00 0.06 0.14 0.01 0.08 -0.07 -0.10 -0.03 0.05 0.17 0.10 0.18 0.01 0.57 -0.08 -0.08 0.20 0.49 -0.19 -0.13 -0.15 0.32 0.02 0.08 -0.12 0.10 -0.02 -0.03 -0.11 0.00 -0.00 0.01 -0.04 0.00 0.00 0.00 -0.02 0.04 0.01 0.02 0.04 -0.01 -0.01 -0.00 0.03 -0.05 0.05 -0.01 -0.01 0.04 0.01 0.02 0.06 0.00 -0.01 0.05 -0.00 0.03 0.05 -0.00 0.03 0.06 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.07 -0.01 -0.00 0.00 -0.01 0.02 -0.03 -0.03 -0.04 -0.03 0.03 0.04 0.00 -0.00 0.00 0.03 0.00 0.01 -0.05 0.03 0.03 -0.05 -0.03 -0.05 0.10 0.00 0.02 -0.07 -0.00 0.07 -0.05 0.00 -0.09 -0.07 0.00 -0.10 -0.10 -0.00 0.07 0.08 0.00 0.01 0.00 0.01 0.00 -0.02 -0.16 -0.03 -0.03 -0.01 0.06 0.04 -0.01 -0.03 -0.06 -0.05 -0.01 -0.15 0.02 0.02 -0.05 -0.12 0.04 0.03 0.04 -0.09 -0.01 -0.02 0.04 -0.04 0.01 0.01 0.04 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.03 0.00 0.23 0.07 0.12 0.18 -0.03 -0.02 -0.00 0.00 -0.00 0.20 -0.04 -0.04 0.19 0.05 0.11 0.38 0.01 -0.09 0.33 -0.01 0.20 0.33 -0.01 0.21 0.37 0.01 -0.10 0.10 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.11 0.02 0.01 -0.10 0.09 0.02 -0.18 0.04 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 0.30 -0.05 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.02 0.20 -0.19 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.03 -0.00 0.03 0.17 0.03 0.01 -0.03 -0.01 0.00 0.01 0.03 0.01 0.03 -0.00 0.07 -0.01 0.00 0.02 0.05 -0.03 -0.01 -0.04 0.05 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.00 -0.02 0.00 0.00 0.05 -0.53 0.26 -0.02 -0.01 -0.01 -0.02 0.01 0.01 0.02 -0.31 0.51 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.05 0.00 -0.01 0.05 -0.00 0.03 0.05 -0.00 0.03 0.05 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.02 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.14 -0.01 0.00 -0.00 0.02 0.00 -0.09 -0.05 -0.08 -0.11 0.06 0.06 -0.00 0.01 -0.01 0.15 0.00 0.03 -0.07 0.05 0.05 -0.06 -0.05 -0.08 -0.11 -0.00 -0.02 0.02 0.00 -0.04 0.01 -0.00 0.04 0.07 -0.00 0.06 0.08 0.00 -0.04 -0.06 -0.00 -0.01 0.00 0.00 -0.00 0.02 -0.12 -0.03 -0.01 -0.02 0.03 0.02 -0.00 0.00 -0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.03 0.39 0.12 0.21 0.34 -0.08 -0.07 0.00 -0.02 0.04 0.36 -0.09 -0.05 0.34 0.10 0.16 -0.21 -0.02 0.04 -0.19 0.02 -0.10 -0.19 0.01 -0.14 -0.23 -0.01 0.07 -0.07 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.01 0.15 0.22 -0.00 0.00 0.00 -0.05 -0.09 -0.14 0.04 -0.08 -0.11 -0.00 0.00 -0.00 0.01 -0.10 -0.14 -0.09 0.07 0.09 0.09 0.07 0.12 0.03 0.01 -0.16 -0.11 -0.01 0.11 0.07 -0.01 0.14 -0.01 0.01 -0.16 0.06 0.01 -0.14 -0.04 -0.01 0.27 0.01 -0.00 -0.00 -0.05 -0.03 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.25 0.01 0.03 -0.13 -0.04 -0.07 0.00 -0.00 0.00 0.25 -0.04 0.01 -0.25 -0.06 -0.09 0.27 0.02 -0.03 -0.24 0.02 -0.10 0.17 0.00 -0.04 -0.15 0.00 -0.08 0.06 0.02 -0.41 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 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 -0.15 -0.22 0.00 -0.00 -0.00 0.09 0.10 0.15 -0.03 0.08 0.11 0.00 -0.00 0.00 -0.00 0.13 0.21 0.04 -0.08 -0.11 -0.09 -0.09 -0.14 0.03 -0.00 -0.24 -0.08 -0.01 0.13 0.05 -0.01 0.15 -0.04 0.01 -0.16 0.08 0.01 -0.14 -0.04 -0.01 0.26 -0.01 0.00 0.00 0.04 0.04 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.30 -0.04 -0.08 0.14 0.04 0.07 -0.00 0.00 -0.00 -0.18 -0.03 -0.05 0.25 0.02 0.08 0.21 -0.01 0.03 -0.22 -0.01 -0.05 0.20 -0.00 0.01 -0.18 -0.00 -0.06 0.06 0.02 -0.34 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.01 0.01 0.00 -0.00 -0.00 0.06 0.00 0.01 0.08 -0.02 -0.01 0.00 -0.00 0.00 0.11 -0.01 -0.00 -0.09 0.02 0.01 -0.08 -0.01 -0.02 -0.22 0.00 -0.02 0.29 0.01 -0.04 0.26 -0.01 0.11 -0.24 0.00 -0.10 -0.27 -0.00 0.03 0.13 0.00 0.01 0.00 0.00 0.00 -0.02 0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.04 -0.05 -0.08 0.03 0.04 0.00 0.00 -0.00 0.13 -0.06 -0.04 0.08 0.06 0.08 -0.35 -0.03 0.21 -0.25 0.03 -0.30 0.18 -0.01 0.25 0.27 0.01 -0.18 0.14 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.17 0.03 0.02 0.00 -0.01 -0.00 0.24 0.02 0.06 0.30 -0.06 -0.04 0.00 -0.00 0.00 0.20 -0.03 -0.01 -0.30 0.06 0.04 -0.27 -0.03 -0.08 0.02 0.00 0.03 -0.09 0.00 0.00 -0.09 0.00 -0.05 0.09 -0.00 0.05 0.09 0.00 -0.00 -0.04 0.00 -0.02 0.01 0.00 0.00 -0.05 0.05 0.03 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.18 -0.14 -0.21 -0.28 0.13 0.15 0.00 0.00 -0.01 0.35 -0.14 -0.13 0.21 0.15 0.23 0.09 0.00 -0.07 0.09 0.01 0.09 -0.08 0.00 -0.09 -0.07 -0.00 0.06 -0.05 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.02 -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 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.02 0.01 0.01 -0.01 -0.04 0.01 0.01 -0.00 -0.04 -0.02 -0.31 0.11 -0.33 0.19 0.10 0.29 0.16 0.15 0.29 -0.20 -0.08 0.04 0.41 -0.17 -0.05 0.03 0.51 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.02 -0.01 0.00 -0.00 -0.03 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.01 -0.25 -0.11 -0.14 0.06 0.36 -0.12 -0.05 -0.00 0.34 -0.02 -0.31 0.11 -0.33 0.19 0.10 0.30 0.17 0.16 -0.18 0.12 0.05 -0.03 -0.26 0.11 0.03 -0.02 -0.32 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.03 -0.01 -0.00 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 -0.01 -0.05 0.00 -0.00 0.02 -0.33 -0.15 -0.18 0.08 0.49 -0.16 -0.07 -0.00 0.45 0.01 0.20 -0.07 0.23 -0.13 -0.07 -0.20 -0.11 -0.11 0.16 -0.10 -0.04 0.02 0.22 -0.09 -0.03 0.02 0.28 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 0.00 -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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.07 0.98 -0.04 0.03 -0.13 -0.02 -0.01 -0.01 0.00 0.03 -0.01 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.05 -0.03 -0.02 -0.02 -0.01 -0.01 0.03 -0.02 -0.01 0.01 0.08 -0.03 0.00 -0.00 -0.04 -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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 0.02 -0.01 -0.02 0.02 -0.00 -0.01 -0.04 0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.09 0.01 -0.00 0.02 -0.05 -0.02 -0.03 -0.03 -0.17 0.05 -0.02 0.00 0.15 -0.02 -0.21 0.08 0.21 -0.12 -0.07 0.06 0.04 0.03 0.04 -0.04 0.00 0.07 0.61 -0.24 0.05 -0.05 -0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.07 0.05 -0.01 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.02 0.01 -0.06 0.03 0.01 0.02 0.02 0.10 -0.03 0.01 -0.00 -0.10 -0.05 -0.40 0.15 0.59 -0.35 -0.20 0.30 0.19 0.17 -0.09 0.06 0.02 -0.02 -0.18 0.07 -0.02 0.02 0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.03 0.04 -0.02 -0.05 -0.06 -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 0.02 -0.02 0.02 -0.08 -0.22 -0.09 -0.12 -0.06 -0.40 0.13 -0.03 0.01 0.25 0.03 0.53 -0.20 0.07 -0.06 -0.03 0.46 0.25 0.26 0.01 -0.00 -0.00 -0.01 -0.05 0.02 -0.00 0.01 0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.03 -0.05 0.04 -0.03 -0.04 -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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.02 0.01 -0.06 0.25 0.10 0.14 0.09 0.55 -0.17 0.06 -0.01 -0.39 0.02 0.38 -0.15 0.01 -0.01 -0.00 0.29 0.16 0.16 0.09 -0.06 -0.02 0.02 0.15 -0.06 0.02 -0.02 -0.21 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.04 -0.02 -0.08 -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 -0.06 0.04 -0.18 0.62 0.26 0.32 -0.01 0.02 -0.02 -0.11 -0.01 0.63 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.03 0.01 -0.00 0.00 0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 -0.06 0.07 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 -0.02 0.00 -0.00 0.01 -0.03 -0.01 -0.02 -0.01 -0.05 0.01 -0.00 0.00 0.02 -0.01 -0.08 0.03 0.06 -0.03 -0.02 -0.01 -0.00 -0.00 0.72 -0.46 -0.18 -0.05 -0.35 0.15 0.01 -0.00 -0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.02 -0.07 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 0.14 0.28 -0.21 0.89 0.12 0.05 0.06 0.00 0.02 -0.01 -0.02 -0.00 0.11 -0.00 0.04 -0.01 0.03 -0.02 -0.01 0.09 0.05 0.05 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.02 -0.02 -0.00 0.02 -0.03 -0.00 0.03 -0.02 0.00 -0.04 0.04 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.00 -0.00 0.02 0.03 0.04 0.02 -0.01 -0.02 0.09 -0.02 0.24 0.20 0.02 -0.26 0.31 0.03 -0.39 0.20 -0.03 0.52 -0.51 -0.00 -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 -0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.04 -0.02 -0.00 0.03 0.03 0.00 -0.04 -0.01 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 0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.03 0.00 -0.00 -0.00 0.05 0.07 0.10 -0.06 0.06 0.06 -0.15 0.03 -0.41 0.30 0.03 -0.38 -0.35 -0.03 0.44 0.17 -0.02 0.44 0.07 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.04 -0.04 -0.04 0.00 -0.00 0.00 0.01 -0.00 0.02 0.01 0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 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 -0.04 0.03 0.04 -0.15 -0.20 -0.29 -0.00 0.00 0.00 -0.08 -0.12 -0.17 -0.46 0.41 0.49 -0.08 0.01 -0.21 -0.15 -0.02 0.19 0.04 0.00 -0.05 0.01 -0.00 0.01 -0.25 -0.00 -0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.03 -0.04 0.02 -0.02 -0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 -0.02 -0.00 0.03 -0.01 -0.00 0.01 0.01 -0.00 0.02 -0.03 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.07 -0.06 -0.07 -0.07 -0.09 -0.14 0.00 -0.00 -0.00 0.22 0.31 0.44 -0.23 0.20 0.24 0.10 -0.02 0.28 0.24 0.02 -0.30 0.11 0.01 -0.14 -0.08 0.01 -0.21 0.36 0.00 0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.03 -0.05 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.03 0.02 0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.04 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.09 -0.09 -0.10 0.05 0.06 0.09 0.00 -0.00 -0.00 0.25 0.37 0.52 0.05 -0.05 -0.06 -0.15 0.03 -0.39 -0.19 -0.02 0.24 0.03 0.00 -0.03 -0.05 0.01 -0.13 -0.42 -0.00 -0.06 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.04 0.03 0.00 -0.03 0.02 0.00 -0.03 -0.02 0.00 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.03 -0.04 -0.02 -0.03 -0.04 0.00 -0.00 -0.00 0.09 0.14 0.19 -0.05 0.05 0.05 0.19 -0.03 0.51 -0.32 -0.03 0.40 -0.25 -0.02 0.32 0.16 -0.02 0.41 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 -0.01 -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 0.03 0.02 0.00 -0.02 -0.03 -0.00 0.03 -0.01 0.00 -0.04 -0.05 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.06 0.08 0.11 0.00 -0.00 -0.00 0.02 0.03 0.04 -0.02 0.02 0.02 -0.12 0.02 -0.32 -0.18 -0.02 0.23 0.29 0.02 -0.37 0.16 -0.02 0.42 0.57 0.00 0.09 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.04 -0.06 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.02 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 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 0.35 0.46 0.67 -0.00 0.00 0.00 -0.02 -0.03 -0.04 -0.26 0.23 0.27 0.03 -0.01 0.08 0.03 0.00 -0.04 -0.04 -0.00 0.05 -0.02 0.00 -0.05 -0.07 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -0.05 -0.05 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.57 0.52 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 0.08 0.12 0.16 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -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 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.07 -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 0.00 0.00 0.00 -0.01 0.03 0.07 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.14 0.78 0.60 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.09 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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.09 0.33 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.05 0.14 0.99 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 0.99987 0.01615 -0.00245 -0.01614 0.99986 0.0032 0.0025 -0.00316 0.99999 asymmetric 1 0.01979 0.00479 0.00425 0.41243 0.09980 0.08860 1046763.3 28.37 45.34 57.36 75.73 82.56 88.84 93.67 109.16 128.85 205.70 246.69 267.74 327.54 345.19 359.51 397.57 411.81 426.63 437.76 481.00 493.51 501.48 523.47 559.09 570.60 598.65 613.46 625.97 656.42 678.04 734.73 766.36 795.57 808.06 881.98 889.79 908.20 939.80 973.74 996.59 1024.07 1052.05 1060.09 1094.66 1120.98 1168.85 1193.79 1209.78 1226.95 1236.13 1274.44 1296.45 1312.39 1348.08 1362.98 1364.19 1365.61 1387.08 1402.07 1411.58 1430.46 1453.09 1453.40 1464.78 1472.74 1490.60 1494.56 1508.95 1518.01 1530.10 1567.01 1583.97 1591.03 1644.72 1649.87 1701.34 1721.45 1732.00 1737.71 1747.21 1754.06 1783.42 1786.50 1815.41 1842.01 1863.73 1867.05 1876.37 1905.95 1921.28 1931.57 1955.70 1957.07 2013.31 2015.74 2023.93 2034.50 2054.42 2063.87 2068.88 2123.09 2125.84 2128.69 2136.53 2139.52 2158.15 2174.29 2176.91 2183.21 2198.34 2221.51 2306.75 2330.46 2355.46 2365.64 4341.79 4345.40 4355.26 4409.26 4430.93 4433.20 4436.53 4442.15 4455.48 4457.31 4465.88 4547.18 4555.41 4565.29 4567.88 4572.11 4577.91 4588.82 4592.54 4617.65 4674.07 4701.19 5463.23 0.398691 0.421171 0.422116 0.345223 -1090.640286 -1090.617806 -1090.616861 -1090.693754 264.289 88.597 161.835 0.000 0.000 0.000 0.889 2.981 43.341 0.889 2.981 35.732 262.512 82.635 82.762 1 0.593 1.986 6.662 2 0.594 1.983 5.732 3 0.594 1.981 5.266 4 0.596 1.977 4.716 5 0.596 1.975 4.545 6 0.597 1.973 4.401 7 0.597 1.971 4.296 8 0.599 1.965 3.995 9 0.602 1.957 3.670 10 0.616 1.910 2.764 11 0.626 1.878 2.419 12 0.632 1.859 2.266 13 0.651 1.799 1.897 14 0.657 1.779 1.803 15 0.663 1.763 1.731 16 0.678 1.717 1.556 17 0.684 1.699 1.496 18 0.690 1.680 1.436 19 0.695 1.666 1.393 20 0.716 1.607 1.239 21 0.722 1.589 1.198 22 0.726 1.578 1.173 23 0.737 1.547 1.106 24 0.757 1.495 1.006 25 0.763 1.477 0.975 26 0.779 1.435 0.905 27 0.788 1.413 0.871 28 0.796 1.394 0.842 29 0.814 1.347 0.777 30 0.828 1.314 0.734 31 0.866 1.226 0.632 32 0.888 1.178 0.581 33 0.908 1.133 0.538 34 0.917 1.114 0.521 35 0.972 1.004 0.428 36 0.978 0.993 0.419 0.392355e+25 24.593679 56.629039 0.112179e+10 9.049911 20.838190 0.100000e+01 0.000000 0.000000 0.243357e+09 8.386245 19.310042 0.143722e+08 7.157524 16.480807 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1091.038977 5.811E-9 4.718E-6 0.3986911 0.4211714 -1090.6178055 -1090.6168614 -1090.6937542 2.6691783,-7.4152649,4.7460866,7.3673474,-7.0614615,9.5433893 C01 [X(C20H23N3O2)] 0.4606031 -1.6208832 0.9925278 -1.1253126 0.1808452 0.0984304 0.293962 -1.0555354 0.0939042 0.1683531 0.0346589 -0.4267314 -2.961462 0.4862913 -0.0684116 0.3211351 -0.70236 0.0358919 0.0367581 -0.1343279 -0.4498995 -0.3025422 0.1010302 -0.0293873 0.2440972 -1.1144024 0.3325076 0.0689449 0.2783418 -0.1500932 -0.3152055 -0.0292451 0.0222432 -0.0023336 -0.0835198 0.0492671 -0.0865765 0.3987559 -0.7075058 -0.4013893 0.0580018 0.0049813 0.0874657 -0.9631762 0.0562001 0.0009078 -0.0299643 -0.6510714 0.1245803 -0.0740079 0.0442916 0.0664243 0.1213046 0.0288101 -0.0646058 0.0133875 0.183893 0.8495672 -0.1271292 -0.0777638 -0.2096646 0.6131812 -0.0457031 -0.1206116 -0.0005258 0.3264959 1.2402433 -0.3621432 -0.0968103 -0.7989477 1.4937496 -0.1891002 -0.5907554 -0.050197 0.4915228 0.0251717 0.0402113 -0.0032638 0.0593098 0.0468076 -0.0239553 0.0078092 0.0034632 0.0825526 0.0903658 -0.0061302 -0.0027974 -0.015434 0.0012871 -0.0033107 0.0295009 0.0174527 -0.0500663 0.0086108 -0.0117152 -0.0358307 -0.0624841 0.0322624 0.0010779 0.0046305 0.0264701 0.0760758 2.282043 -0.2577735 0.2165706 0.0145696 0.1704993 0.0435443 0.4838081 -0.0185923 0.1689867 0.1266698 -0.0910173 0.0116698 -0.1135551 0.7856232 -0.307536 0.0962311 -0.446177 0.3412027 -0.4607693 0.0752125 0.0473621 -0.2760563 -0.0953071 0.0064727 -0.2432469 0.0867301 -0.1897291 -0.4589637 0.0035069 -0.0528968 0.2589731 -0.0976238 0.1339209 0.1627163 0.0767777 -0.1002199 0.0169455 -0.0289626 -0.0277139 -0.0172892 0.3115628 0.0814632 -0.0142937 0.10788 0.6613348 0.1617425 0.0214371 0.0640294 0.0091509 -0.1098009 -0.0744508 0.043974 -0.0519927 -0.1031728 0.1026673 -0.1015742 -0.0580279 0.0255389 0.0046204 0.1387386 -0.0370291 0.1182164 -0.0575862 0.0470007 0.0431928 0.0865494 -0.0500383 0.0062613 0.1212016 0.0876249 0.1388673 -0.0207149 0.6090324 -0.0225521 0.089242 -0.0213413 -0.0286347 -0.0012576 0.1003865 -0.0231992 0.0316986 -0.2770231 0.006951 0.0034444 -0.0188841 -0.1609732 0.0326142 0.0694572 0.0192356 0.0233948 -0.2221005 0.0098525 -0.0659552 0.0111816 -0.1624846 0.032056 -0.1566807 0.0248832 -0.0300237 0.0536983 -0.0201481 -0.052148 0.0232311 -0.1763659 0.0392123 -0.0620856 0.0460471 0.0487531 0.0157743 -0.0044188 0.0420433 -0.0441158 -0.1751577 0.029494 0.0539803 0.0458136 0.0865967 -0.1035368 -0.0013607 -0.0009712 -0.0037483 -0.1856009 0.0199843 -0.0070043 0.0247215 -0.0682918 0.0287615 -0.0164086 0.0154896 0.0050657 0.0186403 -0.0098062 0.0259713 -0.0473021 -0.1375793 0.0441444 0.0137118 -0.0815104 0.0798489 0.0078493 -0.0288788 0.0321292 0.0083526 -0.0259166 -0.1531502 -0.0487574 -0.0744325 -0.0764677 0.0281794 -0.0640495 -0.1215409 -0.0675856 0.0480786 0.042466 -0.0557449 0.0467349 -0.0260543 -0.1498662 0.1185356 0.0378297 0.1427313 0.0168483 0.0540664 0.0431737 0.0260566 0.0504053 0.0587137 -0.0513422 0.0737514 -0.0879192 -0.1696678 0.0841916 -0.0286859 0.0264825 -0.0400222 -0.1035222 0.1529322 0.0314728 0.1054547 -0.0210218 -0.0991698 0.1467356 0.0511895 0.1504053 -0.0232615 -0.0629112 0.008385 -0.0267001 0.0511146 -0.1201548 -0.1285709 -0.0801048 -0.1138013 0.017409 -0.0753267 -0.0660747 -0.0658167 0.0232201 -0.1305386 0.0897066 -0.0052617 0.1424587 0.0071722 -0.0247077 0.0109208 -0.0324937 0.0833586 0.04011 -0.0568423 0.0031377 -0.0891155 -0.1249426 0.1205339 0.0296672 0.1489749 -0.0138052 0.0524687 -0.0031397 0.0420393 -0.0235249 0.0548692 -0.0805883 -0.0126115 -0.1069417 -0.1914165 0.3880904 0.0551126 -0.1119711 0.0376483 0.4621299 -0.0458899 -0.0711584 -0.0711231 0.2576209 0.2050907 0.009453 0.0098615 0.0078607 0.1027916 -0.0180304 0.015098 -0.0405976 0.1255339 0.0524505 0.0500357 0.0491367 0.0741264 0.0897442 -0.0727171 0.0515117 -0.0798251 0.1423542 0.0571903 -0.0469509 -0.0683634 -0.0581376 0.0753034 -0.1049526 -0.0771521 -0.0985767 0.0960847 0.188674 0.0161188 0.0054218 0.021765 0.0323194 -0.0448883 0.0038637 -0.0378612 0.0847609 0.0721405 -0.0551202 -0.0575162 -0.0614955 0.056567 -0.1002827 -0.0625166 -0.1009389 0.0766812 0.0490105 0.0836557 0.0402896 0.0937904 0.0472205 -0.0828022 0.0421735 -0.0786102 0.1166708 0.0857867 -0.0066409 -0.0836668 -0.0053202 0.1709303 -0.0336132 -0.076626 -0.0360578 -0.0663619 0.0212289 0.0188926 0.1027394 0.0216323 0.169742 -0.0298756 0.1060336 -0.0330035 0.0012889 -0.0120135 0.0294746 0.0995087 0.0324551 0.1703021 -0.037066 0.1204283 -0.0434543 -0.0237129 0.0542566 -0.0070549 -0.073317 -0.0142788 0.1721742 -0.0421753 -0.0952664 -0.0443432 -0.0921386 -0.1309086 0.0094915 -0.0408234 0.0096088 0.1833179 -0.0131451 -0.0384827 -0.0130895 0.100603 446.6734843|-16.5003615|314.1872876|12.5733898|29.3374765|333.1552988 -0.000011542 0.000006433 -0.000001664 0.000001226 0.000006680 0.000004052 -0.000024719 0.000004444 0.000001751 0.000022748 -0.000001573 0.000000321 -0.000004580 0.000004959 -0.000006029 -0.000005146 0.000005090 -0.000002434 0.000013716 -0.000019414 0.000002287 0.000003979 -0.000003955 -0.000003608 -0.000001604 -0.000001044 0.000001471 -0.000000106 0.000000045 -0.000002949 0.000003810 -0.000000384 0.000003194 -0.000004206 -0.000000462 -0.000002733 0.000021190 -0.000010909 -0.000006033 -0.000003552 0.000000940 -0.000003413 -0.000000352 -0.000001736 0.000001533 -0.000013010 -0.000000753 -0.000002286 0.000000252 0.000001291 0.000000963 0.000003396 0.000001283 0.000000378 0.000000435 -0.000000318 -0.000000349 0.000000156 0.000001844 0.000001946 -0.000002475 0.000000029 -0.000000434 -0.000001373 0.000002112 -0.000000075 0.000001782 0.000001001 0.000000721 0.000000374 0.000002785 0.000001589 0.000000754 0.000001763 0.000000762 -0.000000550 0.000000169 0.000000052 0.000001340 0.000001369 0.000000323 0.000001049 -0.000000325 0.000002342 0.000000848 -0.000000447 0.000002287 0.000000676 -0.000001463 0.000001187 0.000000573 0.000000748 0.000001850 -0.000000234 0.000001107 -0.000001417 -0.000000309 0.000001182 0.000001585 -0.000000814 -0.000000835 0.000000011 0.000000499 -0.000001122 0.000001710 -0.000000447 -0.000002072 -0.000000115 0.000000704 -0.000002134 -0.000000291 -0.000002467 -0.000000768 -0.000002694 -0.000000666 -0.000000145 0.000000201 0.000001291 -0.000002176 0.000001264 -0.000001458 -0.000000633 -0.000003770 -0.000001238 0.000001137 -0.000000226 -0.000000213 -0.000001842 0.000002128 0.000001034 -0.000000182 0.000000862 -0.000000260 0.000002358 0.000000808 0.000000045 0.000000313 0.000000891 -0.000000683 0.000003316 0.000000844 0.000000127 0.000002295 0.000001208 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 8-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_RR/octanol/CONF9/o #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_RR CONF9 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 2121.2999014223 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 -0.0528316299 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.567712 0.000000 2.691155 2.344642 0.000000 3.198614 3.529566 1.358463 0.000000 4.054218 4.165394 2.185577 2.257617 0.000000 2.479431 3.187245 3.853854 4.568023 5.847780 0.000000 1.425055 2.380109 2.503653 3.402431 4.352524 1.558266 0.000000 2.452686 1.408740 1.464282 2.456116 3.614201 2.603154 1.553856 0.000000 3.821663 2.940837 4.454502 5.322518 6.541873 1.539502 2.549498 3.005700 0.000000 2.975319 4.090490 4.270649 4.546635 6.281941 1.540709 2.559840 3.184413 2.510083 0.000000 2.940604 4.400875 4.990914 5.732258 6.742597 1.539669 2.498727 3.911879 2.503590 2.510108 0.000000 4.812735 1.381229 3.082261 4.012911 4.708836 4.250061 3.662461 2.413862 3.685455 4.908347 5.577382 0.000000 3.313702 2.926962 1.344625 2.212804 1.325610 4.786563 3.279297 2.536429 5.351442 5.432653 5.704068 3.646176 0.000000 5.310766 2.458574 3.193461 3.674347 4.657014 4.969305 4.376027 2.890133 4.571112 5.247488 6.428156 1.394481 3.901913 0.000000 5.901101 2.344154 4.367943 5.379692 5.819987 5.033384 4.633132 3.640305 4.117866 5.858270 6.205947 1.395834 4.717140 2.418407 0.000000 3.926162 4.370336 2.091446 1.321527 1.361477 5.667893 4.334873 3.496998 6.456762 5.763922 6.691713 4.822699 2.104101 4.479469 6.103952 0.000000 7.547303 4.190675 5.511732 6.075487 6.711878 6.789830 6.426138 5.097306 5.923914 7.186012 8.163191 2.812888 5.954971 2.442213 2.433805 6.729411 0.000000 6.701798 3.704307 4.530789 4.881771 5.748632 6.204470 5.735648 4.276670 5.606278 6.412458 7.669076 2.405571 5.118169 1.394716 2.775968 5.569820 1.400236 0.000000 7.172635 3.629808 5.414623 6.255780 6.714411 6.255694 5.931125 4.810999 5.248164 6.918716 7.484391 2.409959 5.755371 2.788869 1.387971 6.931467 1.405197 2.400793 0.000000 9.009165 5.674607 6.912637 7.367086 7.971195 8.199893 7.897628 6.556618 7.265063 8.514540 9.577318 4.297228 7.319073 3.802686 3.795198 7.956740 1.484355 2.513249 2.516807 0.000000 9.959577 6.494536 7.834923 8.397489 8.710206 9.181698 8.818647 7.527732 8.181677 9.649920 10.479086 5.164167 8.054803 4.890864 4.394738 8.869489 2.513360 3.705572 3.038344 1.404044 0.000000 9.630005 6.521575 7.561975 7.809600 8.676134 8.762703 8.575374 7.205522 7.866513 8.843872 10.202344 5.157696 8.120611 4.397753 4.880100 8.459304 2.512815 3.036237 3.708873 1.404162 2.409560 0.000000 11.310689 7.870171 9.151494 9.635502 9.962946 10.495386 10.176922 8.868476 9.463072 10.895304 11.805388 6.526428 9.375900 6.157617 5.769843 10.080709 3.795260 4.882671 4.397854 2.433482 1.393375 2.783221 0.000000 11.021458 7.892491 8.918453 9.127062 9.932289 10.131216 9.966897 8.596543 9.192543 10.188605 11.560859 6.521293 9.431857 5.773451 6.147821 9.720886 3.794930 4.396023 4.885539 2.433652 2.783490 1.393287 2.409444 0.000000 11.800039 8.492367 9.641689 9.968493 10.525711 10.930660 10.700956 9.348917 9.923349 11.144826 12.307105 7.115381 10.004292 6.535834 6.529000 10.472425 4.302526 5.168415 5.170669 2.818171 2.418590 2.418404 1.395182 1.395217 0.000000 2.005924 2.394415 2.915246 4.047149 4.467651 2.169666 1.093343 2.135184 2.812686 3.489255 2.652140 3.771189 3.279095 4.735755 4.508241 4.769521 6.570296 6.056765 5.879396 8.051115 8.827373 8.879085 10.210981 10.255771 10.865144 0.000000 2.969265 2.077352 2.047590 2.490465 4.197683 2.719062 2.198313 1.090636 3.041678 2.781588 4.200224 2.595220 3.329814 2.658772 3.883839 3.742557 4.929595 3.966366 4.868048 6.318746 7.434374 6.771044 8.715172 8.156612 9.039565 3.030525 0.000000 4.188211 2.580237 4.195996 4.976313 6.342414 2.200915 2.883282 2.749719 1.092608 2.742826 3.476450 2.965507 5.195825 3.685129 3.460847 6.162209 4.982173 4.627243 4.455832 6.294231 7.289627 6.822421 8.545987 8.151699 8.934052 3.298737 2.527085 0.000000 4.627996 4.007621 5.497597 6.279831 7.602017 2.163607 3.492566 4.050516 1.094176 2.767044 2.686073 4.623842 6.430476 5.445051 4.912946 7.455541 6.597221 6.362284 5.919686 7.844099 8.763511 8.356150 9.985121 9.630377 10.383610 3.761988 3.948861 1.763832 0.000000 4.104561 2.775585 4.605864 5.675639 6.541520 2.190995 2.760227 3.235252 1.093300 3.477356 2.794710 3.581333 5.264998 4.719550 3.745644 6.680687 5.855309 5.724162 4.959382 7.208266 7.967548 7.980216 9.277941 9.289412 9.880650 2.585290 3.574349 1.767540 1.769972 0.000000 3.978013 4.883653 5.324517 5.601434 7.366737 2.166862 3.504443 4.153529 2.713804 1.093744 2.750678 5.596771 6.487366 5.956440 6.396638 6.838829 7.679423 7.006823 7.384002 8.937000 10.078922 9.193915 11.278377 10.495548 11.473670 4.311691 3.693391 3.013454 2.517688 3.742119 0.000000 2.700411 4.740846 4.413405 4.486763 6.204388 2.200755 2.844537 3.621025 3.482385 1.094357 2.753404 5.657125 5.518783 5.914732 6.711181 5.604173 8.019213 7.137679 7.805819 9.363634 10.513923 9.674409 11.768104 11.024715 12.006530 3.799214 3.296809 3.783250 3.752471 4.349732 1.758948 0.000000 3.345334 3.823256 3.917188 4.032852 5.979509 2.203000 2.840366 2.888923 2.795840 1.093985 3.484719 4.393294 5.199431 4.484418 5.439129 5.327050 6.453608 5.579676 6.368905 7.730804 8.935096 7.960629 10.141496 9.294656 10.308736 3.855649 2.151305 2.581417 3.178713 3.790493 1.761771 1.773536 0.000000 2.608243 4.969188 5.072066 5.659389 6.616015 2.189491 2.739582 4.241276 3.471482 2.777779 1.092450 6.215988 5.727059 6.964883 6.982876 6.518084 8.887269 8.271023 8.284470 10.325388 11.258034 10.927265 12.597148 12.302723 13.083695 2.972041 4.547918 4.345090 3.707316 3.795667 3.136720 2.571983 3.787892 0.000000 3.938426 5.175057 5.927863 6.604564 7.767592 2.175076 3.465551 4.751164 2.744267 2.734990 1.094128 6.226682 6.725382 7.050757 6.758045 7.638994 8.642666 8.208798 7.960780 9.998708 10.921323 10.550052 12.206785 11.876362 12.651895 3.676168 4.870062 3.731179 2.467987 3.157079 2.521026 3.056800 3.755666 1.769984 0.000000 3.317372 4.362898 5.194945 6.127424 6.811515 2.185690 2.747642 4.154487 2.743426 3.475263 1.094883 5.586635 5.692666 6.616123 6.039653 6.975783 8.196250 7.839900 7.362117 9.618165 10.397266 10.373120 11.742601 11.721653 12.357720 2.440957 4.661647 3.781007 3.007762 2.585969 3.747127 3.779385 4.347788 1.770530 1.769900 0.000000 0.965598 3.978972 2.841882 2.948877 4.247282 2.690962 1.975904 2.669796 4.088910 2.644349 3.313275 5.076655 3.695852 5.350000 6.271800 3.800603 7.679621 6.712361 7.460596 9.102510 10.148739 9.591597 11.464305 10.973997 11.845429 2.828372 2.839211 4.325026 4.813470 4.587010 3.672080 2.149889 2.888700 2.911780 4.162955 3.929889 0.000000 3.644945 2.816418 2.133069 3.239094 2.155333 4.889775 3.400236 2.865134 5.294281 5.802555 5.664042 3.612928 1.078269 4.190306 4.425253 3.161725 5.959906 5.352856 5.532717 7.334453 7.924137 8.285223 9.272316 9.582189 10.031367 3.050821 3.833682 5.238750 6.378040 4.989040 6.804290 5.984631 5.687022 5.779497 6.698968 5.447741 4.242444 0.000000 4.864219 2.757730 2.654611 2.791105 4.093249 4.864205 4.171082 2.639717 4.782603 4.922426 6.347584 2.168101 3.534527 1.081722 3.409106 3.656661 3.409713 2.140584 3.870023 4.653266 5.796786 5.052854 7.002628 6.399968 7.267519 4.709999 2.230837 3.954280 5.673619 5.090798 5.722313 5.432721 4.084826 6.736859 7.011346 6.662833 4.754535 4.088930 0.000000 5.903559 2.526917 4.751845 5.914139 6.188539 4.915591 4.583405 3.916019 3.913156 5.965375 5.875272 2.142596 4.981466 3.393090 1.083801 6.614922 3.419816 3.859601 2.157022 4.672190 5.081488 5.810802 6.430414 7.021354 7.293365 4.238950 4.343074 3.510551 4.662190 3.279617 6.451280 6.828114 5.737898 6.707522 6.410659 5.539290 6.406724 4.491155 4.298798 0.000000 4.734558 5.403922 3.132743 2.102016 2.154691 6.548899 5.286140 4.482950 7.397792 6.470593 7.555321 5.765052 3.146028 5.252436 7.056907 1.079434 7.450479 6.220856 7.790982 8.582911 9.518079 8.970926 10.661770 10.175278 10.967296 5.783280 4.584295 7.073553 8.360622 7.690494 7.524216 6.203288 5.986806 7.297800 8.473911 7.908597 4.468095 4.175177 4.342763 7.628069 0.000000 7.268784 4.585601 5.007112 5.078724 6.047083 6.911849 6.435341 4.931397 6.426267 6.923910 8.418169 3.379738 5.625323 2.135050 3.859694 5.697693 2.154943 1.084086 3.389741 2.727413 3.979030 2.801185 4.947551 4.060403 4.987253 6.863287 4.482215 5.415601 7.150722 6.654292 7.517720 7.574220 5.992841 8.952792 8.946854 8.679174 7.161177 6.008693 2.436056 4.943294 6.180903 0.000000 8.031496 4.478760 6.395544 7.298780 7.642682 6.979014 6.740524 5.743829 5.838866 7.728046 8.100892 3.386035 6.653611 3.872795 2.135024 7.946240 2.159763 3.389310 1.084152 2.731521 2.800460 3.984808 4.059982 4.952303 4.989394 6.581257 5.852627 5.128304 6.407415 5.428859 8.113591 8.657920 7.246248 8.963558 8.516610 7.883820 8.378194 6.313915 4.954100 2.471709 8.821534 4.296183 0.000000 9.741914 6.219477 7.654737 8.354293 8.436947 9.035072 8.588825 7.368657 8.036220 9.666436 10.249328 4.979819 7.729121 4.952174 4.053510 8.758106 2.723733 3.974242 2.796152 2.157217 1.084346 3.395853 2.145368 3.867629 3.396382 8.467833 7.432122 7.238997 8.667301 7.685645 10.137910 10.523109 9.040350 11.030626 10.741014 10.060448 10.029814 7.465474 5.915874 4.585019 9.472216 4.448614 2.375111 0.000000 9.133148 6.268040 7.158501 7.281067 8.393114 8.249533 8.134756 6.771197 7.437654 8.166752 9.726831 4.966668 7.864252 4.051060 4.938055 8.021466 2.721891 2.793694 3.976897 2.156854 3.395589 1.084451 3.867477 2.145814 3.396630 8.560303 6.199592 6.359022 7.896488 7.693014 8.491904 8.966418 7.228438 10.411852 10.041730 10.003833 9.001207 8.145228 4.550896 5.921354 8.489594 2.379011 4.455383 4.297684 0.000000 12.071092 8.579472 9.908217 10.455762 10.612995 11.281419 10.925230 9.652023 10.221057 11.773415 12.538713 7.276550 10.025637 7.020100 6.412370 10.834070 4.659905 5.803728 5.066597 3.411560 2.147764 3.868022 1.084840 3.395000 2.154122 10.874317 9.581146 9.354364 10.747153 9.946787 12.164526 12.652775 11.061968 13.344773 12.954528 12.401115 12.282799 9.837389 7.893855 6.959659 11.429889 5.925157 4.569697 2.462696 4.952308 0.000000 11.584891 8.615639 9.524877 9.612491 10.567488 10.668632 10.573767 9.203533 9.766524 10.582779 12.122334 7.268181 10.122817 6.413557 7.008731 10.237078 4.659318 5.065247 5.806510 3.411701 3.868274 2.147690 3.395044 1.084824 2.154243 10.948363 8.660415 8.700119 10.147675 9.961338 10.839767 11.395111 9.642898 12.843296 12.390277 12.362224 11.457464 10.356544 6.925073 7.909596 10.617076 4.572166 5.930677 4.952444 2.463351 4.295341 0.000000 12.877202 9.576781 10.704214 10.998075 11.541521 11.992294 11.781630 10.427170 10.967603 12.179416 13.367361 8.199885 11.055298 7.604172 7.597494 11.478046 5.387034 6.228470 6.230527 3.902679 3.402169 3.401896 2.156260 2.156105 1.084508 11.948578 10.100826 9.975937 11.395818 10.928579 12.482031 13.043125 11.331284 14.151436 13.690470 13.420643 12.909603 11.085317 8.309141 8.336397 11.935361 5.984480 5.986266 4.291462 4.291702 2.485951 2.485847 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4124259 0.0997980 0.0885974 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= 1.19D-06 NBF= 688 NBsUse= 685 1.00D-06 EigRej= 7.17D-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= 706 706 706 706 706 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1091.03897695184 -1091.03897695188 -0.000000000037 -1091.03897695 2 1.086279787188e+03 -6.780616541142e+03 2.482054266663e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830119088 LenY= 2829610006 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. PT1049S Thu Jul 8 10:24:12 2021 GINC-CIBELES28 PAULAPLA 08-Jul-2021 0 Wavefunction bitertanol_RR CONF9 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1091.038977 RMSD=6.706e-09 Dipole=0.4606028,-1.6208835,0.9925277 Quadrupole=2.6691837,-7.4152697,4.746086,7.3673485,-7.0614613,9.5433903 PG=C01 [X(C20H23N3O2)] 0 -4.6771791633 0.502037797 -0.122781196 0 -1.3047034781 -0.4182690836 -0.8355317964 0 -2.2765052424 1.6775177605 -0.4347514151 0 -2.400548519 2.6631248152 0.4918621304 0 -2.411732456 3.5248948821 -1.5947767968 0 -3.810082571 -1.6779468302 0.6793340949 0 -3.6080932241 -0.4333507487 -0.2362942531 0 -2.2371350044 0.2696038956 -0.0343142388 0 -2.6277101106 -2.6543045029 0.5422645392 0 -3.9598411458 -1.2696265228 2.1573841379 0 -5.0960497281 -2.3884609799 0.2188589848 0 0.0413982147 -0.3517571743 -0.5332413759 0 -2.2942002983 2.2066927047 -1.6707434209 0 0.6121786899 0.5645478509 0.3494665029 0 0.8446581655 -1.2821878351 -1.1946229112 0 -2.477391664 3.7514221884 -0.253883423 0 2.8158681624 -0.399896407 -0.0724383923 0 1.9883579995 0.5270983476 0.5729834749 0 2.2135641156 -1.3015760603 -0.966184425 0 4.2786651622 -0.4293632444 0.1778970502 0 5.1847205845 -0.6740394959 -0.8663909924 0 4.7936860895 -0.214889756 1.4664725022 0 6.5576100318 -0.7036690981 -0.6301886945 0 6.1666207112 -0.2424020806 1.7021452965 0 7.0555361433 -0.4875371229 0.655069635 0 -3.6325706147 -0.7611038935 -1.2790678899 0 -1.9448491881 0.2715587691 1.016424086 0 -1.6996015554 -2.24260848 0.9458901166 0 -2.8497434746 -3.5713961459 1.0962196163 0 -2.4496786158 -2.9245976323 -0.5020301432 0 -4.0958780966 -2.1644433765 2.7714460432 0 -4.8337031718 -0.6320021508 2.3229649896 0 -3.0767834664 -0.7467047988 2.5362853876 0 -5.964013198 -1.7288581862 0.2896424441 0 -5.2857276368 -3.2675941206 0.8419675973 0 -5.0082655153 -2.7244018508 -0.8195086317 0 -4.712928088 0.855225062 0.7751945771 0 -2.2099711134 1.6112709364 -2.5657535279 0 0.0184768459 1.3176348851 0.8499673504 0 0.3806864264 -1.9909273413 -1.8706732482 0 -2.5770731263 4.7344725846 0.1806890781 0 2.4213708217 1.2582733693 1.2461298832 0 2.8192350631 -2.0457625747 -1.4708979081 0 4.8140722264 -0.8215376362 -1.8746921252 0 4.1134428837 -0.0451616614 2.2938148806 0 7.2396131802 -0.8872763712 -1.4536186451 0 6.5415904317 -0.0810104319 2.7072294916 0 8.1241317786 -0.5099470453 0.8388040642 Gaussian 16 8-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_RR/octanol/CONF9/o #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_RR CONF9 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 2121.2999014223 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 -0.0528316299 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.567712 0.000000 2.691155 2.344642 0.000000 3.198614 3.529566 1.358463 0.000000 4.054218 4.165394 2.185577 2.257617 0.000000 2.479431 3.187245 3.853854 4.568023 5.847780 0.000000 1.425055 2.380109 2.503653 3.402431 4.352524 1.558266 0.000000 2.452686 1.408740 1.464282 2.456116 3.614201 2.603154 1.553856 0.000000 3.821663 2.940837 4.454502 5.322518 6.541873 1.539502 2.549498 3.005700 0.000000 2.975319 4.090490 4.270649 4.546635 6.281941 1.540709 2.559840 3.184413 2.510083 0.000000 2.940604 4.400875 4.990914 5.732258 6.742597 1.539669 2.498727 3.911879 2.503590 2.510108 0.000000 4.812735 1.381229 3.082261 4.012911 4.708836 4.250061 3.662461 2.413862 3.685455 4.908347 5.577382 0.000000 3.313702 2.926962 1.344625 2.212804 1.325610 4.786563 3.279297 2.536429 5.351442 5.432653 5.704068 3.646176 0.000000 5.310766 2.458574 3.193461 3.674347 4.657014 4.969305 4.376027 2.890133 4.571112 5.247488 6.428156 1.394481 3.901913 0.000000 5.901101 2.344154 4.367943 5.379692 5.819987 5.033384 4.633132 3.640305 4.117866 5.858270 6.205947 1.395834 4.717140 2.418407 0.000000 3.926162 4.370336 2.091446 1.321527 1.361477 5.667893 4.334873 3.496998 6.456762 5.763922 6.691713 4.822699 2.104101 4.479469 6.103952 0.000000 7.547303 4.190675 5.511732 6.075487 6.711878 6.789830 6.426138 5.097306 5.923914 7.186012 8.163191 2.812888 5.954971 2.442213 2.433805 6.729411 0.000000 6.701798 3.704307 4.530789 4.881771 5.748632 6.204470 5.735648 4.276670 5.606278 6.412458 7.669076 2.405571 5.118169 1.394716 2.775968 5.569820 1.400236 0.000000 7.172635 3.629808 5.414623 6.255780 6.714411 6.255694 5.931125 4.810999 5.248164 6.918716 7.484391 2.409959 5.755371 2.788869 1.387971 6.931467 1.405197 2.400793 0.000000 9.009165 5.674607 6.912637 7.367086 7.971195 8.199893 7.897628 6.556618 7.265063 8.514540 9.577318 4.297228 7.319073 3.802686 3.795198 7.956740 1.484355 2.513249 2.516807 0.000000 9.959577 6.494536 7.834923 8.397489 8.710206 9.181698 8.818647 7.527732 8.181677 9.649920 10.479086 5.164167 8.054803 4.890864 4.394738 8.869489 2.513360 3.705572 3.038344 1.404044 0.000000 9.630005 6.521575 7.561975 7.809600 8.676134 8.762703 8.575374 7.205522 7.866513 8.843872 10.202344 5.157696 8.120611 4.397753 4.880100 8.459304 2.512815 3.036237 3.708873 1.404162 2.409560 0.000000 11.310689 7.870171 9.151494 9.635502 9.962946 10.495386 10.176922 8.868476 9.463072 10.895304 11.805388 6.526428 9.375900 6.157617 5.769843 10.080709 3.795260 4.882671 4.397854 2.433482 1.393375 2.783221 0.000000 11.021458 7.892491 8.918453 9.127062 9.932289 10.131216 9.966897 8.596543 9.192543 10.188605 11.560859 6.521293 9.431857 5.773451 6.147821 9.720886 3.794930 4.396023 4.885539 2.433652 2.783490 1.393287 2.409444 0.000000 11.800039 8.492367 9.641689 9.968493 10.525711 10.930660 10.700956 9.348917 9.923349 11.144826 12.307105 7.115381 10.004292 6.535834 6.529000 10.472425 4.302526 5.168415 5.170669 2.818171 2.418590 2.418404 1.395182 1.395217 0.000000 2.005924 2.394415 2.915246 4.047149 4.467651 2.169666 1.093343 2.135184 2.812686 3.489255 2.652140 3.771189 3.279095 4.735755 4.508241 4.769521 6.570296 6.056765 5.879396 8.051115 8.827373 8.879085 10.210981 10.255771 10.865144 0.000000 2.969265 2.077352 2.047590 2.490465 4.197683 2.719062 2.198313 1.090636 3.041678 2.781588 4.200224 2.595220 3.329814 2.658772 3.883839 3.742557 4.929595 3.966366 4.868048 6.318746 7.434374 6.771044 8.715172 8.156612 9.039565 3.030525 0.000000 4.188211 2.580237 4.195996 4.976313 6.342414 2.200915 2.883282 2.749719 1.092608 2.742826 3.476450 2.965507 5.195825 3.685129 3.460847 6.162209 4.982173 4.627243 4.455832 6.294231 7.289627 6.822421 8.545987 8.151699 8.934052 3.298737 2.527085 0.000000 4.627996 4.007621 5.497597 6.279831 7.602017 2.163607 3.492566 4.050516 1.094176 2.767044 2.686073 4.623842 6.430476 5.445051 4.912946 7.455541 6.597221 6.362284 5.919686 7.844099 8.763511 8.356150 9.985121 9.630377 10.383610 3.761988 3.948861 1.763832 0.000000 4.104561 2.775585 4.605864 5.675639 6.541520 2.190995 2.760227 3.235252 1.093300 3.477356 2.794710 3.581333 5.264998 4.719550 3.745644 6.680687 5.855309 5.724162 4.959382 7.208266 7.967548 7.980216 9.277941 9.289412 9.880650 2.585290 3.574349 1.767540 1.769972 0.000000 3.978013 4.883653 5.324517 5.601434 7.366737 2.166862 3.504443 4.153529 2.713804 1.093744 2.750678 5.596771 6.487366 5.956440 6.396638 6.838829 7.679423 7.006823 7.384002 8.937000 10.078922 9.193915 11.278377 10.495548 11.473670 4.311691 3.693391 3.013454 2.517688 3.742119 0.000000 2.700411 4.740846 4.413405 4.486763 6.204388 2.200755 2.844537 3.621025 3.482385 1.094357 2.753404 5.657125 5.518783 5.914732 6.711181 5.604173 8.019213 7.137679 7.805819 9.363634 10.513923 9.674409 11.768104 11.024715 12.006530 3.799214 3.296809 3.783250 3.752471 4.349732 1.758948 0.000000 3.345334 3.823256 3.917188 4.032852 5.979509 2.203000 2.840366 2.888923 2.795840 1.093985 3.484719 4.393294 5.199431 4.484418 5.439129 5.327050 6.453608 5.579676 6.368905 7.730804 8.935096 7.960629 10.141496 9.294656 10.308736 3.855649 2.151305 2.581417 3.178713 3.790493 1.761771 1.773536 0.000000 2.608243 4.969188 5.072066 5.659389 6.616015 2.189491 2.739582 4.241276 3.471482 2.777779 1.092450 6.215988 5.727059 6.964883 6.982876 6.518084 8.887269 8.271023 8.284470 10.325388 11.258034 10.927265 12.597148 12.302723 13.083695 2.972041 4.547918 4.345090 3.707316 3.795667 3.136720 2.571983 3.787892 0.000000 3.938426 5.175057 5.927863 6.604564 7.767592 2.175076 3.465551 4.751164 2.744267 2.734990 1.094128 6.226682 6.725382 7.050757 6.758045 7.638994 8.642666 8.208798 7.960780 9.998708 10.921323 10.550052 12.206785 11.876362 12.651895 3.676168 4.870062 3.731179 2.467987 3.157079 2.521026 3.056800 3.755666 1.769984 0.000000 3.317372 4.362898 5.194945 6.127424 6.811515 2.185690 2.747642 4.154487 2.743426 3.475263 1.094883 5.586635 5.692666 6.616123 6.039653 6.975783 8.196250 7.839900 7.362117 9.618165 10.397266 10.373120 11.742601 11.721653 12.357720 2.440957 4.661647 3.781007 3.007762 2.585969 3.747127 3.779385 4.347788 1.770530 1.769900 0.000000 0.965598 3.978972 2.841882 2.948877 4.247282 2.690962 1.975904 2.669796 4.088910 2.644349 3.313275 5.076655 3.695852 5.350000 6.271800 3.800603 7.679621 6.712361 7.460596 9.102510 10.148739 9.591597 11.464305 10.973997 11.845429 2.828372 2.839211 4.325026 4.813470 4.587010 3.672080 2.149889 2.888700 2.911780 4.162955 3.929889 0.000000 3.644945 2.816418 2.133069 3.239094 2.155333 4.889775 3.400236 2.865134 5.294281 5.802555 5.664042 3.612928 1.078269 4.190306 4.425253 3.161725 5.959906 5.352856 5.532717 7.334453 7.924137 8.285223 9.272316 9.582189 10.031367 3.050821 3.833682 5.238750 6.378040 4.989040 6.804290 5.984631 5.687022 5.779497 6.698968 5.447741 4.242444 0.000000 4.864219 2.757730 2.654611 2.791105 4.093249 4.864205 4.171082 2.639717 4.782603 4.922426 6.347584 2.168101 3.534527 1.081722 3.409106 3.656661 3.409713 2.140584 3.870023 4.653266 5.796786 5.052854 7.002628 6.399968 7.267519 4.709999 2.230837 3.954280 5.673619 5.090798 5.722313 5.432721 4.084826 6.736859 7.011346 6.662833 4.754535 4.088930 0.000000 5.903559 2.526917 4.751845 5.914139 6.188539 4.915591 4.583405 3.916019 3.913156 5.965375 5.875272 2.142596 4.981466 3.393090 1.083801 6.614922 3.419816 3.859601 2.157022 4.672190 5.081488 5.810802 6.430414 7.021354 7.293365 4.238950 4.343074 3.510551 4.662190 3.279617 6.451280 6.828114 5.737898 6.707522 6.410659 5.539290 6.406724 4.491155 4.298798 0.000000 4.734558 5.403922 3.132743 2.102016 2.154691 6.548899 5.286140 4.482950 7.397792 6.470593 7.555321 5.765052 3.146028 5.252436 7.056907 1.079434 7.450479 6.220856 7.790982 8.582911 9.518079 8.970926 10.661770 10.175278 10.967296 5.783280 4.584295 7.073553 8.360622 7.690494 7.524216 6.203288 5.986806 7.297800 8.473911 7.908597 4.468095 4.175177 4.342763 7.628069 0.000000 7.268784 4.585601 5.007112 5.078724 6.047083 6.911849 6.435341 4.931397 6.426267 6.923910 8.418169 3.379738 5.625323 2.135050 3.859694 5.697693 2.154943 1.084086 3.389741 2.727413 3.979030 2.801185 4.947551 4.060403 4.987253 6.863287 4.482215 5.415601 7.150722 6.654292 7.517720 7.574220 5.992841 8.952792 8.946854 8.679174 7.161177 6.008693 2.436056 4.943294 6.180903 0.000000 8.031496 4.478760 6.395544 7.298780 7.642682 6.979014 6.740524 5.743829 5.838866 7.728046 8.100892 3.386035 6.653611 3.872795 2.135024 7.946240 2.159763 3.389310 1.084152 2.731521 2.800460 3.984808 4.059982 4.952303 4.989394 6.581257 5.852627 5.128304 6.407415 5.428859 8.113591 8.657920 7.246248 8.963558 8.516610 7.883820 8.378194 6.313915 4.954100 2.471709 8.821534 4.296183 0.000000 9.741914 6.219477 7.654737 8.354293 8.436947 9.035072 8.588825 7.368657 8.036220 9.666436 10.249328 4.979819 7.729121 4.952174 4.053510 8.758106 2.723733 3.974242 2.796152 2.157217 1.084346 3.395853 2.145368 3.867629 3.396382 8.467833 7.432122 7.238997 8.667301 7.685645 10.137910 10.523109 9.040350 11.030626 10.741014 10.060448 10.029814 7.465474 5.915874 4.585019 9.472216 4.448614 2.375111 0.000000 9.133148 6.268040 7.158501 7.281067 8.393114 8.249533 8.134756 6.771197 7.437654 8.166752 9.726831 4.966668 7.864252 4.051060 4.938055 8.021466 2.721891 2.793694 3.976897 2.156854 3.395589 1.084451 3.867477 2.145814 3.396630 8.560303 6.199592 6.359022 7.896488 7.693014 8.491904 8.966418 7.228438 10.411852 10.041730 10.003833 9.001207 8.145228 4.550896 5.921354 8.489594 2.379011 4.455383 4.297684 0.000000 12.071092 8.579472 9.908217 10.455762 10.612995 11.281419 10.925230 9.652023 10.221057 11.773415 12.538713 7.276550 10.025637 7.020100 6.412370 10.834070 4.659905 5.803728 5.066597 3.411560 2.147764 3.868022 1.084840 3.395000 2.154122 10.874317 9.581146 9.354364 10.747153 9.946787 12.164526 12.652775 11.061968 13.344773 12.954528 12.401115 12.282799 9.837389 7.893855 6.959659 11.429889 5.925157 4.569697 2.462696 4.952308 0.000000 11.584891 8.615639 9.524877 9.612491 10.567488 10.668632 10.573767 9.203533 9.766524 10.582779 12.122334 7.268181 10.122817 6.413557 7.008731 10.237078 4.659318 5.065247 5.806510 3.411701 3.868274 2.147690 3.395044 1.084824 2.154243 10.948363 8.660415 8.700119 10.147675 9.961338 10.839767 11.395111 9.642898 12.843296 12.390277 12.362224 11.457464 10.356544 6.925073 7.909596 10.617076 4.572166 5.930677 4.952444 2.463351 4.295341 0.000000 12.877202 9.576781 10.704214 10.998075 11.541521 11.992294 11.781630 10.427170 10.967603 12.179416 13.367361 8.199885 11.055298 7.604172 7.597494 11.478046 5.387034 6.228470 6.230527 3.902679 3.402169 3.401896 2.156260 2.156105 1.084508 11.948578 10.100826 9.975937 11.395818 10.928579 12.482031 13.043125 11.331284 14.151436 13.690470 13.420643 12.909603 11.085317 8.309141 8.336397 11.935361 5.984480 5.986266 4.291462 4.291702 2.485951 2.485847 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4124259 0.0997980 0.0885974 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= 1.19D-06 NBF= 688 NBsUse= 685 1.00D-06 EigRej= 7.17D-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= 706 706 706 706 706 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1091.03897695184 -1091.03897695201 -0.000000000168 -1091.03897695 2 1.086279787188e+03 -6.780616541142e+03 2.482054266663e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830119088 LenY= 2829610006 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 4.6035 269.32 0.7619 0.000 90 91 0.69889 -1090.86979999 2 Singlet-A 4.7171 262.84 0.0174 0.000 88 91 -0.24497 89 91 -0.10277 90 92 0.63880 3 Singlet-A 4.8547 255.39 0.0066 0.000 88 91 -0.12673 89 91 0.33366 90 93 0.58924 4 Singlet-A 5.1533 240.59 0.0006 0.000 90 93 0.11445 90 94 0.68333 5 Singlet-A 5.4721 226.58 0.0571 0.000 87 93 0.21485 89 91 0.53293 90 92 0.10283 90 93 -0.31230 90 95 -0.16414 6 Singlet-A 5.5853 221.98 0.0064 0.000 88 91 0.26351 89 91 0.12409 90 92 0.11396 90 95 0.54292 90 96 -0.26851 7 Singlet-A 5.6599 219.06 0.0906 0.000 87 92 0.21777 88 91 0.52422 90 92 0.19424 90 93 0.14116 90 95 -0.26051 90 97 -0.12016 8 Singlet-A 5.7059 217.29 0.0117 0.000 87 91 0.50348 90 96 0.21595 90 97 0.39966 9 Singlet-A 5.7994 213.79 0.0119 0.000 89 92 0.68265 10 Singlet-A 5.8780 210.93 0.0040 0.000 87 91 -0.26537 88 92 0.19842 89 93 0.21878 90 95 0.21774 90 96 0.49019 90 98 0.10454 90 99 -0.11304 PT39272.200S Thu Jul 8 11:05:19 2021 GINC-CIBELES28 PAULAPLA 08-Jul-2021 0 Electronic spectrum bitertanol_RR CONF9 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1091.038977 RMSD=6.691e-09 PG=C01 [X(C20H23N3O2)] 0 -4.6771791633 0.502037797 -0.122781196 0 -1.3047034781 -0.4182690836 -0.8355317964 0 -2.2765052424 1.6775177605 -0.4347514151 0 -2.400548519 2.6631248152 0.4918621304 0 -2.411732456 3.5248948821 -1.5947767968 0 -3.810082571 -1.6779468302 0.6793340949 0 -3.6080932241 -0.4333507487 -0.2362942531 0 -2.2371350044 0.2696038956 -0.0343142388 0 -2.6277101106 -2.6543045029 0.5422645392 0 -3.9598411458 -1.2696265228 2.1573841379 0 -5.0960497281 -2.3884609799 0.2188589848 0 0.0413982147 -0.3517571743 -0.5332413759 0 -2.2942002983 2.2066927047 -1.6707434209 0 0.6121786899 0.5645478509 0.3494665029 0 0.8446581655 -1.2821878351 -1.1946229112 0 -2.477391664 3.7514221884 -0.253883423 0 2.8158681624 -0.399896407 -0.0724383923 0 1.9883579995 0.5270983476 0.5729834749 0 2.2135641156 -1.3015760603 -0.966184425 0 4.2786651622 -0.4293632444 0.1778970502 0 5.1847205845 -0.6740394959 -0.8663909924 0 4.7936860895 -0.214889756 1.4664725022 0 6.5576100318 -0.7036690981 -0.6301886945 0 6.1666207112 -0.2424020806 1.7021452965 0 7.0555361433 -0.4875371229 0.655069635 0 -3.6325706147 -0.7611038935 -1.2790678899 0 -1.9448491881 0.2715587691 1.016424086 0 -1.6996015554 -2.24260848 0.9458901166 0 -2.8497434746 -3.5713961459 1.0962196163 0 -2.4496786158 -2.9245976323 -0.5020301432 0 -4.0958780966 -2.1644433765 2.7714460432 0 -4.8337031718 -0.6320021508 2.3229649896 0 -3.0767834664 -0.7467047988 2.5362853876 0 -5.964013198 -1.7288581862 0.2896424441 0 -5.2857276368 -3.2675941206 0.8419675973 0 -5.0082655153 -2.7244018508 -0.8195086317 0 -4.712928088 0.855225062 0.7751945771 0 -2.2099711134 1.6112709364 -2.5657535279 0 0.0184768459 1.3176348851 0.8499673504 0 0.3806864264 -1.9909273413 -1.8706732482 0 -2.5770731263 4.7344725846 0.1806890781 0 2.4213708217 1.2582733693 1.2461298832 0 2.8192350631 -2.0457625747 -1.4708979081 0 4.8140722264 -0.8215376362 -1.8746921252 0 4.1134428837 -0.0451616614 2.2938148806 0 7.2396131802 -0.8872763712 -1.4536186451 0 6.5415904317 -0.0810104319 2.7072294916 0 8.1241317786 -0.5099470453 0.8388040642 Gaussian 16 8-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_RR/octanol/CONF9/o #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_RR CONF9 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 2121.2999014223 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 -0.0528316299 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.567712 0.000000 2.691155 2.344642 0.000000 3.198614 3.529566 1.358463 0.000000 4.054218 4.165394 2.185577 2.257617 0.000000 2.479431 3.187245 3.853854 4.568023 5.847780 0.000000 1.425055 2.380109 2.503653 3.402431 4.352524 1.558266 0.000000 2.452686 1.408740 1.464282 2.456116 3.614201 2.603154 1.553856 0.000000 3.821663 2.940837 4.454502 5.322518 6.541873 1.539502 2.549498 3.005700 0.000000 2.975319 4.090490 4.270649 4.546635 6.281941 1.540709 2.559840 3.184413 2.510083 0.000000 2.940604 4.400875 4.990914 5.732258 6.742597 1.539669 2.498727 3.911879 2.503590 2.510108 0.000000 4.812735 1.381229 3.082261 4.012911 4.708836 4.250061 3.662461 2.413862 3.685455 4.908347 5.577382 0.000000 3.313702 2.926962 1.344625 2.212804 1.325610 4.786563 3.279297 2.536429 5.351442 5.432653 5.704068 3.646176 0.000000 5.310766 2.458574 3.193461 3.674347 4.657014 4.969305 4.376027 2.890133 4.571112 5.247488 6.428156 1.394481 3.901913 0.000000 5.901101 2.344154 4.367943 5.379692 5.819987 5.033384 4.633132 3.640305 4.117866 5.858270 6.205947 1.395834 4.717140 2.418407 0.000000 3.926162 4.370336 2.091446 1.321527 1.361477 5.667893 4.334873 3.496998 6.456762 5.763922 6.691713 4.822699 2.104101 4.479469 6.103952 0.000000 7.547303 4.190675 5.511732 6.075487 6.711878 6.789830 6.426138 5.097306 5.923914 7.186012 8.163191 2.812888 5.954971 2.442213 2.433805 6.729411 0.000000 6.701798 3.704307 4.530789 4.881771 5.748632 6.204470 5.735648 4.276670 5.606278 6.412458 7.669076 2.405571 5.118169 1.394716 2.775968 5.569820 1.400236 0.000000 7.172635 3.629808 5.414623 6.255780 6.714411 6.255694 5.931125 4.810999 5.248164 6.918716 7.484391 2.409959 5.755371 2.788869 1.387971 6.931467 1.405197 2.400793 0.000000 9.009165 5.674607 6.912637 7.367086 7.971195 8.199893 7.897628 6.556618 7.265063 8.514540 9.577318 4.297228 7.319073 3.802686 3.795198 7.956740 1.484355 2.513249 2.516807 0.000000 9.959577 6.494536 7.834923 8.397489 8.710206 9.181698 8.818647 7.527732 8.181677 9.649920 10.479086 5.164167 8.054803 4.890864 4.394738 8.869489 2.513360 3.705572 3.038344 1.404044 0.000000 9.630005 6.521575 7.561975 7.809600 8.676134 8.762703 8.575374 7.205522 7.866513 8.843872 10.202344 5.157696 8.120611 4.397753 4.880100 8.459304 2.512815 3.036237 3.708873 1.404162 2.409560 0.000000 11.310689 7.870171 9.151494 9.635502 9.962946 10.495386 10.176922 8.868476 9.463072 10.895304 11.805388 6.526428 9.375900 6.157617 5.769843 10.080709 3.795260 4.882671 4.397854 2.433482 1.393375 2.783221 0.000000 11.021458 7.892491 8.918453 9.127062 9.932289 10.131216 9.966897 8.596543 9.192543 10.188605 11.560859 6.521293 9.431857 5.773451 6.147821 9.720886 3.794930 4.396023 4.885539 2.433652 2.783490 1.393287 2.409444 0.000000 11.800039 8.492367 9.641689 9.968493 10.525711 10.930660 10.700956 9.348917 9.923349 11.144826 12.307105 7.115381 10.004292 6.535834 6.529000 10.472425 4.302526 5.168415 5.170669 2.818171 2.418590 2.418404 1.395182 1.395217 0.000000 2.005924 2.394415 2.915246 4.047149 4.467651 2.169666 1.093343 2.135184 2.812686 3.489255 2.652140 3.771189 3.279095 4.735755 4.508241 4.769521 6.570296 6.056765 5.879396 8.051115 8.827373 8.879085 10.210981 10.255771 10.865144 0.000000 2.969265 2.077352 2.047590 2.490465 4.197683 2.719062 2.198313 1.090636 3.041678 2.781588 4.200224 2.595220 3.329814 2.658772 3.883839 3.742557 4.929595 3.966366 4.868048 6.318746 7.434374 6.771044 8.715172 8.156612 9.039565 3.030525 0.000000 4.188211 2.580237 4.195996 4.976313 6.342414 2.200915 2.883282 2.749719 1.092608 2.742826 3.476450 2.965507 5.195825 3.685129 3.460847 6.162209 4.982173 4.627243 4.455832 6.294231 7.289627 6.822421 8.545987 8.151699 8.934052 3.298737 2.527085 0.000000 4.627996 4.007621 5.497597 6.279831 7.602017 2.163607 3.492566 4.050516 1.094176 2.767044 2.686073 4.623842 6.430476 5.445051 4.912946 7.455541 6.597221 6.362284 5.919686 7.844099 8.763511 8.356150 9.985121 9.630377 10.383610 3.761988 3.948861 1.763832 0.000000 4.104561 2.775585 4.605864 5.675639 6.541520 2.190995 2.760227 3.235252 1.093300 3.477356 2.794710 3.581333 5.264998 4.719550 3.745644 6.680687 5.855309 5.724162 4.959382 7.208266 7.967548 7.980216 9.277941 9.289412 9.880650 2.585290 3.574349 1.767540 1.769972 0.000000 3.978013 4.883653 5.324517 5.601434 7.366737 2.166862 3.504443 4.153529 2.713804 1.093744 2.750678 5.596771 6.487366 5.956440 6.396638 6.838829 7.679423 7.006823 7.384002 8.937000 10.078922 9.193915 11.278377 10.495548 11.473670 4.311691 3.693391 3.013454 2.517688 3.742119 0.000000 2.700411 4.740846 4.413405 4.486763 6.204388 2.200755 2.844537 3.621025 3.482385 1.094357 2.753404 5.657125 5.518783 5.914732 6.711181 5.604173 8.019213 7.137679 7.805819 9.363634 10.513923 9.674409 11.768104 11.024715 12.006530 3.799214 3.296809 3.783250 3.752471 4.349732 1.758948 0.000000 3.345334 3.823256 3.917188 4.032852 5.979509 2.203000 2.840366 2.888923 2.795840 1.093985 3.484719 4.393294 5.199431 4.484418 5.439129 5.327050 6.453608 5.579676 6.368905 7.730804 8.935096 7.960629 10.141496 9.294656 10.308736 3.855649 2.151305 2.581417 3.178713 3.790493 1.761771 1.773536 0.000000 2.608243 4.969188 5.072066 5.659389 6.616015 2.189491 2.739582 4.241276 3.471482 2.777779 1.092450 6.215988 5.727059 6.964883 6.982876 6.518084 8.887269 8.271023 8.284470 10.325388 11.258034 10.927265 12.597148 12.302723 13.083695 2.972041 4.547918 4.345090 3.707316 3.795667 3.136720 2.571983 3.787892 0.000000 3.938426 5.175057 5.927863 6.604564 7.767592 2.175076 3.465551 4.751164 2.744267 2.734990 1.094128 6.226682 6.725382 7.050757 6.758045 7.638994 8.642666 8.208798 7.960780 9.998708 10.921323 10.550052 12.206785 11.876362 12.651895 3.676168 4.870062 3.731179 2.467987 3.157079 2.521026 3.056800 3.755666 1.769984 0.000000 3.317372 4.362898 5.194945 6.127424 6.811515 2.185690 2.747642 4.154487 2.743426 3.475263 1.094883 5.586635 5.692666 6.616123 6.039653 6.975783 8.196250 7.839900 7.362117 9.618165 10.397266 10.373120 11.742601 11.721653 12.357720 2.440957 4.661647 3.781007 3.007762 2.585969 3.747127 3.779385 4.347788 1.770530 1.769900 0.000000 0.965598 3.978972 2.841882 2.948877 4.247282 2.690962 1.975904 2.669796 4.088910 2.644349 3.313275 5.076655 3.695852 5.350000 6.271800 3.800603 7.679621 6.712361 7.460596 9.102510 10.148739 9.591597 11.464305 10.973997 11.845429 2.828372 2.839211 4.325026 4.813470 4.587010 3.672080 2.149889 2.888700 2.911780 4.162955 3.929889 0.000000 3.644945 2.816418 2.133069 3.239094 2.155333 4.889775 3.400236 2.865134 5.294281 5.802555 5.664042 3.612928 1.078269 4.190306 4.425253 3.161725 5.959906 5.352856 5.532717 7.334453 7.924137 8.285223 9.272316 9.582189 10.031367 3.050821 3.833682 5.238750 6.378040 4.989040 6.804290 5.984631 5.687022 5.779497 6.698968 5.447741 4.242444 0.000000 4.864219 2.757730 2.654611 2.791105 4.093249 4.864205 4.171082 2.639717 4.782603 4.922426 6.347584 2.168101 3.534527 1.081722 3.409106 3.656661 3.409713 2.140584 3.870023 4.653266 5.796786 5.052854 7.002628 6.399968 7.267519 4.709999 2.230837 3.954280 5.673619 5.090798 5.722313 5.432721 4.084826 6.736859 7.011346 6.662833 4.754535 4.088930 0.000000 5.903559 2.526917 4.751845 5.914139 6.188539 4.915591 4.583405 3.916019 3.913156 5.965375 5.875272 2.142596 4.981466 3.393090 1.083801 6.614922 3.419816 3.859601 2.157022 4.672190 5.081488 5.810802 6.430414 7.021354 7.293365 4.238950 4.343074 3.510551 4.662190 3.279617 6.451280 6.828114 5.737898 6.707522 6.410659 5.539290 6.406724 4.491155 4.298798 0.000000 4.734558 5.403922 3.132743 2.102016 2.154691 6.548899 5.286140 4.482950 7.397792 6.470593 7.555321 5.765052 3.146028 5.252436 7.056907 1.079434 7.450479 6.220856 7.790982 8.582911 9.518079 8.970926 10.661770 10.175278 10.967296 5.783280 4.584295 7.073553 8.360622 7.690494 7.524216 6.203288 5.986806 7.297800 8.473911 7.908597 4.468095 4.175177 4.342763 7.628069 0.000000 7.268784 4.585601 5.007112 5.078724 6.047083 6.911849 6.435341 4.931397 6.426267 6.923910 8.418169 3.379738 5.625323 2.135050 3.859694 5.697693 2.154943 1.084086 3.389741 2.727413 3.979030 2.801185 4.947551 4.060403 4.987253 6.863287 4.482215 5.415601 7.150722 6.654292 7.517720 7.574220 5.992841 8.952792 8.946854 8.679174 7.161177 6.008693 2.436056 4.943294 6.180903 0.000000 8.031496 4.478760 6.395544 7.298780 7.642682 6.979014 6.740524 5.743829 5.838866 7.728046 8.100892 3.386035 6.653611 3.872795 2.135024 7.946240 2.159763 3.389310 1.084152 2.731521 2.800460 3.984808 4.059982 4.952303 4.989394 6.581257 5.852627 5.128304 6.407415 5.428859 8.113591 8.657920 7.246248 8.963558 8.516610 7.883820 8.378194 6.313915 4.954100 2.471709 8.821534 4.296183 0.000000 9.741914 6.219477 7.654737 8.354293 8.436947 9.035072 8.588825 7.368657 8.036220 9.666436 10.249328 4.979819 7.729121 4.952174 4.053510 8.758106 2.723733 3.974242 2.796152 2.157217 1.084346 3.395853 2.145368 3.867629 3.396382 8.467833 7.432122 7.238997 8.667301 7.685645 10.137910 10.523109 9.040350 11.030626 10.741014 10.060448 10.029814 7.465474 5.915874 4.585019 9.472216 4.448614 2.375111 0.000000 9.133148 6.268040 7.158501 7.281067 8.393114 8.249533 8.134756 6.771197 7.437654 8.166752 9.726831 4.966668 7.864252 4.051060 4.938055 8.021466 2.721891 2.793694 3.976897 2.156854 3.395589 1.084451 3.867477 2.145814 3.396630 8.560303 6.199592 6.359022 7.896488 7.693014 8.491904 8.966418 7.228438 10.411852 10.041730 10.003833 9.001207 8.145228 4.550896 5.921354 8.489594 2.379011 4.455383 4.297684 0.000000 12.071092 8.579472 9.908217 10.455762 10.612995 11.281419 10.925230 9.652023 10.221057 11.773415 12.538713 7.276550 10.025637 7.020100 6.412370 10.834070 4.659905 5.803728 5.066597 3.411560 2.147764 3.868022 1.084840 3.395000 2.154122 10.874317 9.581146 9.354364 10.747153 9.946787 12.164526 12.652775 11.061968 13.344773 12.954528 12.401115 12.282799 9.837389 7.893855 6.959659 11.429889 5.925157 4.569697 2.462696 4.952308 0.000000 11.584891 8.615639 9.524877 9.612491 10.567488 10.668632 10.573767 9.203533 9.766524 10.582779 12.122334 7.268181 10.122817 6.413557 7.008731 10.237078 4.659318 5.065247 5.806510 3.411701 3.868274 2.147690 3.395044 1.084824 2.154243 10.948363 8.660415 8.700119 10.147675 9.961338 10.839767 11.395111 9.642898 12.843296 12.390277 12.362224 11.457464 10.356544 6.925073 7.909596 10.617076 4.572166 5.930677 4.952444 2.463351 4.295341 0.000000 12.877202 9.576781 10.704214 10.998075 11.541521 11.992294 11.781630 10.427170 10.967603 12.179416 13.367361 8.199885 11.055298 7.604172 7.597494 11.478046 5.387034 6.228470 6.230527 3.902679 3.402169 3.401896 2.156260 2.156105 1.084508 11.948578 10.100826 9.975937 11.395818 10.928579 12.482031 13.043125 11.331284 14.151436 13.690470 13.420643 12.909603 11.085317 8.309141 8.336397 11.935361 5.984480 5.986266 4.291462 4.291702 2.485951 2.485847 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4124259 0.0997980 0.0885974 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= 1.15D-06 NBF= 1182 NBsUse= 1177 1.00D-06 EigRej= 8.83D-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= 1291 1291 1291 1291 1291 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1091.04554580847 -1091.11217731273 -0.066631504254 -1091.11222431200 -0.000046999276 -1091.11245538827 -0.000231076265 -1091.11247942679 -0.000024038520 -1091.11248448806 -0.000005061277 -1091.11248473371 -0.000000245647 -1091.11248477076 -0.000000037048 -1091.11248477235 -0.000000001597 -1091.11248477265 -0.000000000291 -1091.11248477257 0.000000000075 -1091.11248477 11 1.085934782491e+03 -6.780683649883e+03 2.482392872281e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2827573168 LenY= 2825797612 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. PT26069.600S Thu Jul 8 11:32:35 2021 GINC-CIBELES28 PAULAPLA 08-Jul-2021 0 Single Point bitertanol_RR CONF9 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1091.1124848 RMSD=7.143e-09 Dipole=0.4071375,-1.6030937,0.9403398 Quadrupole=2.580968,-7.3143079,4.7333399,7.2731499,-6.77492,9.3053562 PG=C01 [X(C20H23N3O2)] 0 -4.6771791633 0.502037797 -0.122781196 0 -1.3047034781 -0.4182690836 -0.8355317964 0 -2.2765052424 1.6775177605 -0.4347514151 0 -2.400548519 2.6631248152 0.4918621304 0 -2.411732456 3.5248948821 -1.5947767968 0 -3.810082571 -1.6779468302 0.6793340949 0 -3.6080932241 -0.4333507487 -0.2362942531 0 -2.2371350044 0.2696038956 -0.0343142388 0 -2.6277101106 -2.6543045029 0.5422645392 0 -3.9598411458 -1.2696265228 2.1573841379 0 -5.0960497281 -2.3884609799 0.2188589848 0 0.0413982147 -0.3517571743 -0.5332413759 0 -2.2942002983 2.2066927047 -1.6707434209 0 0.6121786899 0.5645478509 0.3494665029 0 0.8446581655 -1.2821878351 -1.1946229112 0 -2.477391664 3.7514221884 -0.253883423 0 2.8158681624 -0.399896407 -0.0724383923 0 1.9883579995 0.5270983476 0.5729834749 0 2.2135641156 -1.3015760603 -0.966184425 0 4.2786651622 -0.4293632444 0.1778970502 0 5.1847205845 -0.6740394959 -0.8663909924 0 4.7936860895 -0.214889756 1.4664725022 0 6.5576100318 -0.7036690981 -0.6301886945 0 6.1666207112 -0.2424020806 1.7021452965 0 7.0555361433 -0.4875371229 0.655069635 0 -3.6325706147 -0.7611038935 -1.2790678899 0 -1.9448491881 0.2715587691 1.016424086 0 -1.6996015554 -2.24260848 0.9458901166 0 -2.8497434746 -3.5713961459 1.0962196163 0 -2.4496786158 -2.9245976323 -0.5020301432 0 -4.0958780966 -2.1644433765 2.7714460432 0 -4.8337031718 -0.6320021508 2.3229649896 0 -3.0767834664 -0.7467047988 2.5362853876 0 -5.964013198 -1.7288581862 0.2896424441 0 -5.2857276368 -3.2675941206 0.8419675973 0 -5.0082655153 -2.7244018508 -0.8195086317 0 -4.712928088 0.855225062 0.7751945771 0 -2.2099711134 1.6112709364 -2.5657535279 0 0.0184768459 1.3176348851 0.8499673504 0 0.3806864264 -1.9909273413 -1.8706732482 0 -2.5770731263 4.7344725846 0.1806890781 0 2.4213708217 1.2582733693 1.2461298832 0 2.8192350631 -2.0457625747 -1.4708979081 0 4.8140722264 -0.8215376362 -1.8746921252 0 4.1134428837 -0.0451616614 2.2938148806 0 7.2396131802 -0.8872763712 -1.4536186451 0 6.5415904317 -0.0810104319 2.7072294916 0 8.1241317786 -0.5099470453 0.8388040642