Gaussian 16 GINC-DEPAZ24 PAULAPLA Optimization metconazole_trans CONF16 water EM64L-G16RevC.01 26-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 44 44 85 85 624 (5D, 7F) 6-311+G(d,p) 126 126 C1[X(C17H22ClN3O)] C1[X(C17H22ClN3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 297.6543999999998 0 1 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2587758/Gau-18915.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2587758/" chk=/home/paulapla/almacen/ADAMA/censo_results/metconazole_trans/water/CONF16/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 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=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 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 metconazole_trans CONF16 water 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 35 16 14 14 14 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 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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 1 2 2 3 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 17 17 18 18 19 19 20 20 21 22 6 38 4 11 16 21 16 21 7 8 11 9 13 14 10 12 23 10 24 25 26 27 28 29 15 30 31 32 33 34 35 36 37 17 18 39 19 40 20 41 22 42 22 43 44 1.7342 1.417 0.9689 1.3379 1.4504 1.3309 1.3101 1.3133 1.3432 1.5803 1.5461 1.534 1.5546 1.5301 1.5316 1.5275 1.5375 1.0945 1.5249 1.0915 1.0937 1.0908 1.0909 1.0924 1.0873 1.5019 1.0914 1.0926 1.0897 1.0916 1.0923 1.0917 1.0901 1.091 1.3934 1.3913 1.0785 1.3858 1.0836 1.388 1.0834 1.3867 1.0816 1.3846 1.0815 1.0784 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 6 4 4 11 3 16 2 2 2 7 7 8 6 6 6 9 9 13 6 6 6 10 10 12 7 7 7 10 10 24 8 8 8 9 9 26 3 3 3 6 6 28 8 8 8 15 15 30 7 7 7 32 32 33 7 7 7 35 35 36 12 12 17 3 3 5 15 15 19 15 15 20 17 17 22 18 18 22 4 4 5 1 1 19 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 38 11 16 16 21 21 7 8 11 8 11 11 9 13 14 13 14 14 10 12 23 12 23 23 10 24 25 24 25 25 9 26 27 26 27 27 6 28 29 28 29 29 15 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 17 18 18 5 39 39 19 40 40 20 41 41 22 42 42 22 43 43 5 44 44 19 20 20 108.6671 122.3475 109.2807 128.3693 102.8026 102.2137 111.1822 103.8728 108.7964 104.9164 116.1445 111.2072 103.7066 112.3181 113.9582 109.9576 109.3836 107.4528 101.5617 114.9349 108.6156 112.7118 111.809 107.1952 106.8198 111.7511 110.0911 112.2943 109.8042 106.1063 103.5692 113.1782 109.8943 112.7917 110.8284 106.6349 113.9597 108.3985 106.1684 108.8907 112.0293 107.1158 111.711 111.4849 109.546 108.9986 108.4777 106.4418 112.4829 109.3445 112.7021 107.0998 108.0934 106.8159 109.2297 113.3225 112.881 106.6715 106.537 107.8033 120.5401 121.2778 118.1643 110.7209 122.9494 126.3252 121.3683 119.8062 118.8253 121.4005 119.7459 118.8536 119.0669 120.2643 120.6688 119.0332 120.2407 120.7261 114.9796 121.5991 123.4207 119.4781 119.5562 120.9656 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 38 38 38 11 16 4 4 4 16 16 16 4 4 11 11 3 3 21 21 16 16 2 2 2 8 8 8 11 11 11 2 2 2 7 7 7 11 11 11 2 2 2 7 7 7 8 8 8 6 6 6 13 13 13 14 14 14 6 6 6 9 9 9 14 14 14 6 6 6 9 9 9 13 13 13 6 6 6 12 12 12 23 23 23 6 6 6 10 10 10 23 23 23 7 7 7 24 24 24 25 25 25 8 8 30 30 31 31 12 12 18 18 12 12 17 17 15 15 40 40 15 15 41 41 17 17 42 42 18 18 43 43 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 6 6 6 4 4 11 11 11 11 11 11 16 16 16 16 21 21 16 16 21 21 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 22 22 22 22 7 8 11 21 21 6 28 29 6 28 29 5 39 5 39 5 44 3 39 4 44 9 13 14 9 13 14 9 13 14 10 12 23 10 12 23 10 12 23 3 28 29 3 28 29 3 28 29 10 24 25 10 24 25 10 24 25 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 9 26 27 9 26 27 9 26 27 15 30 31 15 30 31 15 30 31 8 26 27 8 26 27 8 26 27 17 18 17 18 17 18 19 40 19 40 20 41 20 41 22 42 22 42 22 43 22 43 1 20 1 20 1 19 1 19 77.8764 -169.7862 -51.2535 179.1566 -0.3022 -51.4865 69.9258 -175.2794 127.8619 -110.7258 4.069 0.0112 -179.2619 -179.4057 1.3213 0.51 -179.7497 0.2774 179.5202 -0.5035 179.7615 92.7179 -25.9609 -148.4527 -18.9568 -137.6356 99.8726 -142.1718 99.1495 -23.3423 -77.9698 160.0441 40.003 38.8355 -83.1506 156.8083 165.1694 43.1833 -76.8578 62.5731 -58.5658 -176.8611 -63.7445 175.1166 56.8213 176.3851 55.2462 -63.0491 -8.2172 -131.3998 110.9563 112.0757 -11.1069 -128.7508 -130.1482 106.6692 -10.9748 61.5708 -179.5766 -60.9417 -53.3628 65.4898 -175.8753 -172.3296 -53.477 65.158 -169.9875 -51.2198 71.6916 -54.4432 64.3245 -172.7641 64.8914 -176.3409 -53.4295 -43.9697 -166.438 74.4768 79.5426 -42.9256 -162.0108 -159.6156 77.9161 -41.1691 178.222 55.9939 -61.5557 62.4876 -59.7405 -177.2901 -60.9557 176.8162 59.2666 32.7326 155.4573 -85.0652 155.577 -81.6983 37.7792 -86.6266 36.098 155.5755 72.2706 -106.1695 -164.0859 17.474 -48.5758 132.9841 -178.1718 1.9975 0.316 -179.5148 178.2138 -1.8405 -0.2623 179.6834 -0.0648 -179.9844 179.7676 -0.152 -0.0413 -179.9627 -179.9875 0.0912 179.8511 -0.2517 -0.2296 179.6676 -179.7992 0.3037 0.1218 -179.7753 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 646 A 624 A 985 646 1959.4636035455 44 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= 624 RedAO= T EigKep= 1.56D-06 NBF= 624 NBsUse= 621 1.00D-06 EigRej= 9.93D-07 NBFU= 621 Berny optimization. local minimum Step number 14 out of a maximum of 264 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00076 0.00330 0.00338 0.00374 0.00441 0.00815 0.01005 0.01129 0.01485 0.01598 0.01724 0.02172 0.02227 0.02229 0.02250 0.02263 0.02267 0.02274 0.02280 0.02310 0.02522 0.02643 0.02665 0.02802 0.03965 0.04188 0.04229 0.04442 0.04500 0.04657 0.05023 0.05185 0.05268 0.05340 0.05398 0.05459 0.05663 0.05692 0.05732 0.05872 0.06203 0.06399 0.07055 0.07463 0.07548 0.07925 0.09353 0.09637 0.09896 0.09950 0.11128 0.12732 0.13177 0.14229 0.15408 0.15778 0.15948 0.15996 0.15999 0.16000 0.16001 0.16002 0.16007 0.16029 0.16089 0.16196 0.16717 0.16961 0.18625 0.19359 0.20780 0.22006 0.22446 0.23381 0.23523 0.24159 0.24980 0.25002 0.25073 0.27030 0.27778 0.28407 0.28673 0.29001 0.29088 0.29601 0.29959 0.30340 0.30868 0.32963 0.34270 0.34373 0.34469 0.34549 0.34570 0.34623 0.34634 0.34650 0.34702 0.34725 0.34801 0.34884 0.35133 0.35304 0.35472 0.35574 0.35769 0.35797 0.35984 0.36245 0.36408 0.36782 0.40094 0.42965 0.43186 0.43525 0.46968 0.47609 0.48026 0.50033 0.52824 0.53828 0.56427 0.57836 0.60650 0.62985 -2.54568489e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 3.34704 2.73756 1.83663 2.57796 2.76932 2.53422 2.49976 2.51249 2.56803 2.99878 2.93491 2.90569 2.96034 2.90580 2.91339 2.90852 2.92412 2.06551 2.90760 2.06455 2.06607 2.06327 2.06352 2.06251 2.05318 2.85498 2.06092 2.06492 2.06193 2.06729 2.06759 2.06716 2.06170 2.06271 2.64624 2.64243 2.03698 2.63229 2.05027 2.63653 2.04943 2.62976 2.04622 2.62584 2.04619 2.03878 1.89090 2.12862 1.90483 2.24801 1.79694 1.79349 1.92844 1.79870 1.88635 1.83951 2.03456 1.96208 1.80246 1.95922 1.97477 1.93782 1.91313 1.87660 1.76983 2.02494 1.87747 1.96762 1.95044 1.87246 1.87366 1.94401 1.91005 1.95372 1.91657 1.86592 1.82071 1.96497 1.90919 1.96539 1.92956 1.87420 1.98261 1.88688 1.85194 1.89586 1.95022 1.89353 1.94960 1.93127 1.91210 1.90358 1.89201 1.87329 1.95288 1.90617 1.95098 1.88280 1.89006 1.87825 1.89957 1.96939 1.95604 1.87564 1.87067 1.88833 2.10244 2.11653 2.06399 1.93010 2.14378 2.20923 2.11843 2.08705 2.07769 2.11838 2.08704 2.07776 2.07243 2.10674 2.10402 2.07232 2.10575 2.10511 1.99936 2.12540 2.15841 2.08043 2.08193 2.12082 1.42678 -2.89837 -0.81829 3.08075 -0.00298 -0.98976 1.11567 -3.13914 2.08167 -2.09609 -0.06771 -0.00296 -3.13259 -3.08155 0.07200 0.00808 -3.13967 0.00734 3.13643 -0.00982 3.13807 1.54182 -0.54669 -2.67455 -0.38984 -2.47835 1.67698 -2.57938 1.61529 -0.51257 -1.32914 2.81612 0.72013 0.69347 -1.44444 2.74275 2.92730 0.78938 -1.30661 1.08042 -1.01995 -3.10823 -1.10300 3.07982 0.99153 3.05379 0.95342 -1.13486 -0.06433 -2.20884 2.01491 2.03883 -0.10567 -2.16511 -2.17358 1.96510 -0.09433 1.05154 3.13488 -1.07180 -0.95611 1.12723 -3.07945 -3.04877 -0.96544 1.11107 -2.96117 -0.88082 1.25609 -0.95978 1.12057 -3.02571 1.14851 -3.05433 -0.91742 -0.72923 -2.86557 1.33539 1.44778 -0.68857 -2.77079 -2.72473 1.42211 -0.66011 -3.05344 1.10531 -0.95675 1.19986 -0.92457 -2.98663 -0.95474 -3.07917 1.14195 0.49882 2.63488 -1.55181 2.63731 -1.50981 0.58668 -1.57624 0.55983 2.65632 1.31151 -1.80684 -2.83135 0.33348 -0.79693 2.36790 -3.11898 0.02482 0.00005 -3.13933 3.11884 -0.02321 -0.00001 3.14113 0.00133 -3.13722 3.14072 0.00217 -0.00142 3.14030 3.14063 -0.00084 3.14139 -0.00282 -0.00324 3.13573 -3.14135 0.00287 0.00011 -3.13886 0.00003 0.00002 -0.00001 -0.00001 0.00001 -0.00002 -0.00002 -0.00001 -0.00001 -0.00000 -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 0.00001 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 0.00002 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 0.00000 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 0.00001 -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 0.00001 -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 0.00001 -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 -0.00001 -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 -0.00002 -0.00001 0.00000 -0.00002 0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00003 -0.00001 -0.00001 -0.00000 -0.00002 -0.00002 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00000 -0.00002 -0.00000 -0.00001 -0.00000 -0.00002 -0.00001 -0.00002 -0.00000 -0.00000 -0.00000 0.00003 0.00000 -0.00003 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00005 -0.00004 -0.00001 0.00001 -0.00000 0.00002 0.00004 -0.00002 -0.00006 -0.00001 0.00002 0.00002 -0.00001 -0.00000 -0.00003 0.00001 0.00001 0.00002 -0.00003 0.00001 -0.00002 -0.00000 0.00002 -0.00004 0.00001 -0.00002 0.00003 -0.00002 0.00004 -0.00002 -0.00003 0.00006 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 0.00001 -0.00000 0.00002 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00002 -0.00013 -0.00013 -0.00012 0.00004 0.00002 0.00001 0.00003 0.00007 0.00004 0.00006 0.00010 -0.00001 -0.00001 -0.00004 -0.00004 -0.00003 0.00000 -0.00001 -0.00001 0.00002 -0.00001 -0.00013 -0.00014 -0.00014 -0.00013 -0.00014 -0.00014 -0.00013 -0.00014 -0.00014 0.00002 0.00005 0.00001 0.00003 0.00006 0.00002 0.00001 0.00005 0.00001 0.00005 0.00004 -0.00001 0.00004 0.00003 -0.00002 0.00004 0.00004 -0.00002 0.00019 0.00021 0.00021 0.00024 0.00027 0.00026 0.00024 0.00026 0.00026 -0.00007 -0.00009 -0.00009 -0.00008 -0.00011 -0.00011 -0.00009 -0.00011 -0.00011 -0.00001 -0.00001 -0.00001 -0.00003 -0.00004 -0.00003 -0.00004 -0.00005 -0.00004 0.00010 0.00013 0.00011 0.00013 0.00016 0.00014 0.00011 0.00015 0.00013 0.00037 0.00042 0.00039 0.00036 0.00041 0.00038 0.00039 0.00044 0.00041 -0.00018 -0.00022 -0.00021 -0.00019 -0.00023 -0.00022 -0.00020 -0.00023 -0.00022 -0.00023 -0.00028 -0.00029 -0.00034 -0.00029 -0.00034 -0.00006 -0.00007 -0.00002 -0.00002 0.00006 0.00007 0.00001 0.00003 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00003 0.00002 0.00003 0.00002 -0.00003 -0.00003 -0.00004 -0.00003 0.00008 0.00005 -0.00001 -0.00000 0.00001 -0.00003 -0.00002 0.00000 -0.00001 -0.00002 -0.00003 0.00000 0.00000 -0.00001 0.00001 0.00004 0.00002 0.00000 0.00001 0.00001 0.00001 -0.00000 0.00001 0.00001 0.00001 0.00003 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 -0.00000 0.00001 0.00002 0.00001 0.00003 0.00001 0.00002 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00002 -0.00001 0.00004 0.00001 -0.00001 -0.00005 0.00001 0.00001 0.00000 0.00003 -0.00001 0.00000 -0.00003 -0.00001 0.00000 0.00001 0.00002 -0.00000 -0.00001 0.00002 -0.00003 0.00003 0.00000 -0.00000 0.00001 0.00002 0.00002 -0.00000 -0.00004 -0.00002 0.00001 0.00001 0.00001 0.00002 -0.00003 0.00004 -0.00002 0.00002 -0.00003 0.00003 -0.00005 0.00004 0.00001 0.00001 -0.00002 -0.00000 -0.00004 -0.00000 0.00002 0.00003 -0.00001 -0.00002 -0.00002 0.00003 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00002 -0.00003 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00002 -0.00003 -0.00003 0.00003 -0.00004 -0.00006 -0.00009 -0.00014 0.00003 0.00000 -0.00005 -0.00003 0.00001 -0.00011 -0.00007 0.00010 -0.00002 0.00009 0.00004 -0.00012 0.00000 -0.00002 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00002 -0.00001 -0.00001 0.00007 0.00012 0.00011 0.00002 0.00007 0.00006 0.00006 0.00011 0.00010 0.00002 0.00004 0.00010 0.00005 0.00007 0.00013 0.00003 0.00005 0.00011 -0.00001 -0.00004 -0.00001 -0.00004 -0.00008 -0.00004 -0.00001 -0.00004 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00002 -0.00001 -0.00002 -0.00001 0.00008 0.00010 0.00008 0.00009 0.00011 0.00009 0.00011 0.00013 0.00011 -0.00002 -0.00003 -0.00001 -0.00006 -0.00006 -0.00004 -0.00006 -0.00006 -0.00004 -0.00005 -0.00006 -0.00002 -0.00002 -0.00003 0.00001 -0.00003 -0.00004 -0.00000 0.00001 0.00002 0.00000 0.00004 0.00004 0.00003 -0.00000 -0.00000 -0.00001 -0.00011 -0.00012 -0.00008 -0.00010 -0.00015 -0.00016 -0.00001 -0.00002 0.00000 -0.00001 0.00002 -0.00001 0.00000 -0.00002 -0.00000 -0.00002 0.00001 -0.00001 -0.00001 0.00000 0.00002 0.00003 -0.00001 -0.00000 0.00001 0.00001 0.00002 0.00001 0.00000 -0.00000 0.00007 0.00004 -0.00001 -0.00002 0.00002 -0.00004 -0.00004 -0.00001 -0.00002 -0.00005 -0.00006 -0.00003 -0.00001 -0.00001 0.00001 0.00002 0.00000 0.00000 0.00002 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00003 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00002 0.00001 0.00000 0.00000 0.00002 0.00000 0.00000 -0.00001 -0.00002 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00003 0.00000 0.00001 0.00000 0.00002 0.00000 -0.00001 0.00002 -0.00005 -0.00001 0.00002 0.00002 0.00002 0.00003 0.00000 -0.00009 0.00002 0.00002 0.00002 0.00000 0.00001 -0.00001 0.00001 -0.00004 -0.00001 -0.00002 0.00003 -0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00002 -0.00002 0.00001 -0.00002 0.00008 -0.00003 -0.00001 -0.00004 -0.00001 -0.00000 0.00003 -0.00001 0.00000 -0.00001 0.00002 0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00002 -0.00003 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00001 0.00002 -0.00002 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00002 -0.00001 0.00003 -0.00015 -0.00016 -0.00015 0.00008 -0.00002 -0.00005 -0.00005 -0.00007 0.00007 0.00006 0.00004 -0.00004 0.00000 -0.00015 -0.00010 0.00007 -0.00001 0.00008 0.00004 -0.00010 -0.00001 -0.00015 -0.00015 -0.00015 -0.00014 -0.00014 -0.00014 -0.00015 -0.00015 -0.00016 0.00008 0.00017 0.00012 0.00005 0.00013 0.00008 0.00007 0.00015 0.00010 0.00007 0.00008 0.00009 0.00009 0.00010 0.00011 0.00008 0.00009 0.00009 0.00018 0.00017 0.00020 0.00020 0.00019 0.00022 0.00023 0.00022 0.00025 -0.00007 -0.00009 -0.00009 -0.00007 -0.00009 -0.00009 -0.00010 -0.00012 -0.00012 0.00008 0.00009 0.00008 0.00005 0.00007 0.00006 0.00007 0.00008 0.00007 0.00008 0.00010 0.00010 0.00007 0.00010 0.00010 0.00006 0.00008 0.00008 0.00032 0.00036 0.00037 0.00034 0.00038 0.00039 0.00036 0.00040 0.00041 -0.00017 -0.00020 -0.00020 -0.00015 -0.00019 -0.00019 -0.00020 -0.00023 -0.00023 -0.00034 -0.00040 -0.00037 -0.00044 -0.00044 -0.00050 -0.00007 -0.00009 -0.00001 -0.00003 0.00007 0.00006 0.00001 0.00000 -0.00000 -0.00002 0.00001 -0.00000 0.00000 0.00001 0.00001 0.00002 0.00002 0.00002 0.00003 0.00003 -0.00002 -0.00002 -0.00003 -0.00003 3.34711 2.73760 1.83662 2.57795 2.76933 2.53417 2.49973 2.51247 2.56801 2.99873 2.93486 2.90566 2.96033 2.90579 2.91340 2.90854 2.92412 2.06551 2.90762 2.06454 2.06608 2.06326 2.06352 2.06250 2.05319 2.85501 2.06093 2.06492 2.06194 2.06729 2.06758 2.06717 2.06170 2.06270 2.64625 2.64242 2.03698 2.63229 2.05028 2.63655 2.04943 2.62977 2.04621 2.62582 2.04618 2.03878 1.89090 2.12863 1.90482 2.24802 1.79695 1.79348 1.92841 1.79870 1.88636 1.83951 2.03457 1.96208 1.80245 1.95924 1.97472 1.93781 1.91315 1.87661 1.76985 2.02496 1.87747 1.96753 1.95046 1.87248 1.87368 1.94402 1.91006 1.95372 1.91657 1.86588 1.82070 1.96495 1.90921 1.96538 1.92958 1.87420 1.98261 1.88687 1.85195 1.89587 1.95024 1.89351 1.94961 1.93125 1.91218 1.90355 1.89201 1.87325 1.95287 1.90617 1.95102 1.88279 1.89007 1.87824 1.89960 1.96940 1.95603 1.87564 1.87066 1.88832 2.10243 2.11653 2.06400 1.93011 2.14380 2.20920 2.11844 2.08704 2.07770 2.11838 2.08704 2.07777 2.07240 2.10674 2.10403 2.07230 2.10576 2.10513 1.99936 2.12541 2.15840 2.08041 2.08192 2.12085 1.42663 -2.89853 -0.81845 3.08083 -0.00300 -0.98981 1.11561 -3.13922 2.08173 -2.09602 -0.06767 -0.00300 -3.13259 -3.08170 0.07189 0.00816 -3.13969 0.00743 3.13646 -0.00992 3.13806 1.54168 -0.54683 -2.67470 -0.38998 -2.47849 1.67683 -2.57954 1.61514 -0.51272 -1.32906 2.81629 0.72025 0.69352 -1.44431 2.74283 2.92737 0.78953 -1.30651 1.08048 -1.01987 -3.10815 -1.10291 3.07992 0.99164 3.05386 0.95351 -1.13477 -0.06416 -2.20867 2.01511 2.03903 -0.10549 -2.16489 -2.17335 1.96532 -0.09408 1.05148 3.13479 -1.07189 -0.95618 1.12714 -3.07954 -3.04887 -0.96556 1.11094 -2.96109 -0.88073 1.25617 -0.95973 1.12064 -3.02565 1.14857 -3.05424 -0.91735 -0.72915 -2.86547 1.33550 1.44785 -0.68847 -2.77069 -2.72468 1.42219 -0.66003 -3.05313 1.10568 -0.95638 1.20020 -0.92418 -2.98623 -0.95439 -3.07877 1.14236 0.49864 2.63468 -1.55202 2.63716 -1.50999 0.58650 -1.57644 0.55960 2.65608 1.31117 -1.80724 -2.83173 0.33305 -0.79737 2.36740 -3.11906 0.02473 0.00004 -3.13936 3.11891 -0.02314 0.00000 3.14113 0.00132 -3.13724 3.14074 0.00217 -0.00142 3.14032 3.14064 -0.00081 3.14141 -0.00280 -0.00320 3.13577 -3.14137 0.00285 0.00008 -3.13889 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000026 0.000004 0.001409 0.000315 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.248012e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 2 2 3 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 17 17 18 18 19 19 20 20 21 22 6 38 4 11 16 21 16 21 7 8 11 9 13 14 10 12 23 10 24 25 26 27 28 29 15 30 31 32 33 34 35 36 37 17 18 39 19 40 20 41 22 42 22 43 44 1.7712 1.4487 0.9719 1.3642 1.4655 1.341 1.3228 1.3296 1.3589 1.5869 1.5531 1.5376 1.5665 1.5377 1.5417 1.5391 1.5474 1.093 1.5386 1.0925 1.0933 1.0918 1.092 1.0914 1.0865 1.5108 1.0906 1.0927 1.0911 1.094 1.0941 1.0939 1.091 1.0915 1.4003 1.3983 1.0779 1.3929 1.085 1.3952 1.0845 1.3916 1.0828 1.3895 1.0828 1.0789 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 4 4 11 3 16 2 2 2 7 7 8 6 6 6 9 9 13 6 6 6 10 10 12 7 7 7 10 10 24 8 8 8 9 9 26 3 3 3 6 6 28 8 8 8 15 15 30 7 7 7 32 32 33 7 7 7 35 35 36 12 12 17 3 3 5 15 15 19 15 15 20 17 17 22 18 18 22 4 4 5 1 1 19 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 38 11 16 16 21 21 7 8 11 8 11 11 9 13 14 13 14 14 10 12 23 12 23 23 10 24 25 24 25 25 9 26 27 26 27 27 6 28 29 28 29 29 15 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 17 18 18 5 39 39 19 40 40 20 41 41 22 42 42 22 43 43 5 44 44 19 20 20 108.3408 121.9611 109.1386 128.8016 102.9573 102.7595 110.4914 103.0579 108.08 105.3963 116.5714 112.4189 103.2731 112.2549 113.1459 111.0289 109.6141 107.5212 101.4036 116.0203 107.571 112.7361 111.7522 107.2839 107.353 111.3838 109.4381 111.94 109.8113 106.9093 104.3191 112.5843 109.3884 112.6085 110.5559 107.3839 113.5953 108.1103 106.1086 108.625 111.7394 108.4912 111.7037 110.6535 109.5553 109.067 108.4044 107.3315 111.8919 109.2157 111.783 107.8763 108.2927 107.616 108.8376 112.838 112.0728 107.4665 107.1817 108.1934 120.461 121.2681 118.2579 110.5867 122.8296 126.5796 121.3774 119.5794 119.0431 121.3742 119.5788 119.047 118.7413 120.7071 120.5514 118.735 120.6509 120.6141 114.555 121.7764 123.6675 119.1997 119.2861 121.5141 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 38 38 38 11 16 4 4 4 16 16 16 4 4 11 11 3 3 21 21 16 16 2 2 2 8 8 8 11 11 11 2 2 2 7 7 7 11 11 11 2 2 2 7 7 7 8 8 8 6 6 6 13 13 13 14 14 14 6 6 6 9 9 9 14 14 14 6 6 6 9 9 9 13 13 13 6 6 6 12 12 12 23 23 23 6 6 6 10 10 10 23 23 23 7 7 7 24 24 24 25 25 25 8 8 30 30 31 31 12 12 18 18 12 12 17 17 15 15 40 40 15 15 41 41 17 17 42 42 18 18 43 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 6 6 6 4 4 11 11 11 11 11 11 16 16 16 16 21 21 16 16 21 21 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 22 22 22 7 8 11 21 21 6 28 29 6 28 29 5 39 5 39 5 44 3 39 4 44 9 13 14 9 13 14 9 13 14 10 12 23 10 12 23 10 12 23 3 28 29 3 28 29 3 28 29 10 24 25 10 24 25 10 24 25 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 9 26 27 9 26 27 9 26 27 15 30 31 15 30 31 15 30 31 8 26 27 8 26 27 8 26 27 17 18 17 18 17 18 19 40 19 40 20 41 20 41 22 42 22 42 22 43 22 43 1 20 1 20 1 19 1 81.7487 -166.0645 -46.8847 176.5138 -0.1709 -56.7093 63.923 -179.8597 119.2707 -120.097 -3.8796 -0.1694 -179.4844 -176.5599 4.1251 0.4632 -179.8901 0.4208 179.704 -0.5625 179.7984 88.3399 -31.3227 -153.2402 -22.3363 -141.999 96.0836 -147.7878 92.5495 -29.3679 -76.1542 161.3521 41.2605 39.7332 -82.7606 157.1479 167.7218 45.2281 -74.8634 61.9033 -58.4387 -178.0886 -63.1974 176.4606 56.8107 174.9691 54.627 -65.0229 -3.6861 -126.5571 115.4458 116.8163 -6.0547 -124.0518 -124.5369 112.5921 -5.405 60.249 179.6155 -61.4098 -54.7809 64.5856 -176.4396 -174.6819 -55.3154 63.6593 -169.6624 -50.4671 71.9686 -54.9912 64.2041 -173.3602 65.8047 -175.0 -52.5642 -41.7815 -164.1851 76.5124 82.9514 -39.4521 -158.7547 -156.1156 81.4809 -37.8217 -174.9494 63.3298 -54.8175 68.7471 -52.9737 -171.1211 -54.7028 -176.4236 65.429 28.58 150.9676 -88.9123 151.1069 -86.5055 33.6145 -90.312 32.0757 152.1957 75.1438 -103.5245 -162.2245 19.1071 -45.6609 135.6707 -178.7046 1.4218 0.0031 -179.8704 178.6963 -1.3298 -0.0006 179.9734 0.076 -179.7496 179.9503 0.1246 -0.0812 179.9262 179.9447 -0.0479 179.9885 -0.1617 -0.1856 179.6643 -179.9861 0.1642 0.0064 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0562022062 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.841967 0.000000 10.274657 2.927891 0.000000 11.041062 2.787115 1.337875 0.000000 12.369359 4.814014 2.175539 2.237590 0.000000 8.248288 1.417036 2.502770 3.008129 4.549083 0.000000 8.735224 2.474576 3.170839 3.663179 4.759031 1.580272 0.000000 6.714719 2.334306 3.852562 4.447081 5.976296 1.546092 2.479010 0.000000 7.699171 3.204871 4.615463 5.092856 6.308650 2.465449 1.554645 2.398265 0.000000 6.659955 2.842307 4.873756 5.287792 6.853147 2.381237 2.472723 1.527491 1.524937 0.000000 8.826455 2.400414 1.450381 2.443353 3.586525 1.534017 2.643259 2.541557 3.788350 3.770538 0.000000 6.020613 3.723314 4.348882 5.278486 6.383349 2.599707 3.245475 1.537464 3.096857 2.551566 2.939268 0.000000 10.051786 2.744654 3.515580 3.502891 4.613053 2.583588 1.530105 3.729702 2.526264 3.481144 3.545405 4.727122 0.000000 9.178512 3.771445 3.260478 4.102798 4.452254 2.609337 1.531582 3.415984 2.518566 3.634384 2.932528 3.545146 2.468335 0.000000 4.519156 4.827398 5.812060 6.681802 7.872043 3.918888 4.500129 2.515553 3.914083 3.051810 4.377487 1.501925 5.945863 4.865227 0.000000 11.154149 4.213783 1.330886 2.176473 1.313333 3.640920 3.951165 4.943484 5.445314 5.930523 2.504243 5.171748 4.210622 3.535902 6.655801 0.000000 3.986414 5.263823 6.414270 7.178174 8.531420 4.626927 5.516248 3.187154 5.005238 3.857035 4.969594 2.514828 6.880080 6.036822 1.393437 7.349052 0.000000 3.987408 5.807060 6.823505 7.723711 8.796754 4.839251 5.026270 3.493010 4.117965 3.506584 5.444232 2.522152 6.451949 5.244370 1.391286 7.573540 2.389028 0.000000 2.701324 6.494731 7.797538 8.535333 9.917048 5.934943 6.731417 4.439032 6.019975 4.827636 6.352750 3.796867 8.073187 7.261380 2.423351 8.730896 1.385843 2.771855 0.000000 2.700638 6.948607 8.142725 9.005392 10.150429 6.105696 6.334579 4.667711 5.300321 4.552116 6.736039 3.803693 7.710446 6.613027 2.423754 8.924463 2.772523 1.388021 2.411632 0.000000 12.238018 4.044348 2.069526 1.310060 1.343243 4.169476 4.538144 5.652011 6.053215 6.446942 3.470428 6.360508 4.164609 4.671462 7.812023 2.067747 8.369072 8.805369 9.741183 10.124145 0.000000 1.734185 7.232588 8.555427 9.350930 10.641456 6.557470 7.069219 5.039183 6.131103 5.108075 7.109010 4.286526 8.427223 7.494740 2.784975 9.425533 2.389736 2.389391 1.386714 1.384614 10.530696 0.000000 6.552273 2.403862 4.200248 4.633021 6.369391 2.160690 3.408754 1.094467 3.362527 2.184782 2.907045 2.134610 4.469178 4.423973 2.731981 5.395574 2.889389 3.903804 4.106723 4.882658 5.910852 4.950147 0.000000 8.285937 3.724117 5.334519 5.622173 6.853778 3.299874 2.205919 3.351675 1.091539 2.186279 4.686818 4.161466 2.528260 3.169206 4.848699 6.138515 5.896059 4.900891 6.806566 5.959045 6.509497 6.820403 4.201763 0.000000 7.350357 4.131353 5.104050 5.787608 6.731370 3.138790 2.186586 2.857214 1.093666 2.156767 4.208619 2.996305 3.314806 2.485105 3.673441 5.763852 4.939578 3.586941 5.878046 4.788570 6.674362 5.800789 3.896381 1.746402 0.000000 5.722810 3.874305 5.844757 6.336272 7.850479 3.375028 3.419892 2.198779 2.191797 1.090787 4.641500 2.727434 4.472865 4.375200 2.665927 6.862159 3.456568 2.799398 4.183540 3.656209 7.500953 4.253633 2.682759 2.704631 2.402319 0.000000 7.161989 2.601766 5.150721 5.293058 7.088396 2.718994 2.928405 2.158128 2.167643 1.090950 4.195839 3.470312 3.511423 4.322215 3.907110 6.311209 4.454447 4.422717 5.344667 5.320194 6.483431 5.714830 2.414558 2.417947 3.036937 1.749660 0.000000 8.601553 2.630057 2.072930 2.802280 4.121575 2.152114 3.560822 2.726730 4.511316 4.141942 1.092384 3.096010 4.438749 3.986067 4.347395 3.130474 4.632336 5.584750 5.998006 6.769353 3.889258 6.929836 2.675932 5.429910 4.961194 4.925445 4.470031 0.000000 8.590519 3.356766 2.040601 3.288845 3.851672 2.187831 2.902282 2.834115 3.930160 4.063136 1.087286 2.651006 4.033823 2.672557 4.106402 2.580331 4.845299 5.067070 6.212360 6.390370 4.089324 6.864167 3.374429 4.914683 4.063336 4.787058 4.716715 1.753455 0.000000 6.469200 4.162185 4.411126 5.447988 6.256566 2.847339 2.971188 2.187279 2.819670 2.821375 3.161656 1.091429 4.500494 2.870733 2.124686 5.026666 3.386460 2.606172 4.539384 3.987657 6.395818 4.763436 3.058766 3.875500 2.404168 2.997032 3.862357 3.622876 2.623725 0.000000 6.462423 3.953044 4.010319 5.038820 5.998515 2.859657 3.776900 2.163681 3.988466 3.486785 2.615606 1.092576 5.207350 3.898817 2.118882 4.748838 2.720840 3.282618 4.060159 4.461385 6.066698 4.756793 2.451640 5.071977 3.932917 3.765145 4.291084 2.537307 2.193643 1.749277 0.000000 10.029284 2.535677 4.106585 3.834568 5.302688 2.869863 2.191743 3.836019 2.744232 3.370953 4.049890 5.077302 1.089657 3.442937 6.155000 4.983430 6.956589 6.685747 8.081641 7.849854 4.613030 8.468593 4.395638 2.515420 3.725706 4.356291 3.065062 4.767497 4.708079 5.030477 5.624941 0.000000 10.492772 3.812616 4.364988 4.417562 5.176858 3.523952 2.153898 4.517961 2.795541 4.046494 4.443128 5.356319 1.091577 2.632817 6.509253 4.837432 7.562752 6.815781 8.699725 8.054881 4.882485 8.904675 5.358023 2.503522 3.366770 4.907404 4.147896 5.405926 4.758478 4.945315 5.919159 1.754529 0.000000 10.832619 2.905582 2.936964 2.726048 3.671443 2.869345 2.196465 4.275603 3.500007 4.336981 3.404340 5.229566 1.092315 2.779591 6.569983 3.493734 7.438898 7.206443 8.704745 8.507406 3.175433 9.168662 4.914704 3.614318 4.225926 5.377820 4.346238 4.292614 3.965300 5.035389 5.508454 1.766298 1.753448 0.000000 9.533876 4.590145 4.260052 4.992580 5.188550 3.534870 2.153842 4.199974 2.692464 4.074991 4.018071 4.294147 2.727459 1.091731 5.453146 4.408502 6.718138 5.580143 7.849818 6.893590 5.442740 7.911804 5.257030 3.045190 2.447338 4.693943 4.751223 5.068551 3.737471 3.482498 4.785322 3.692934 2.434712 3.180753 0.000000 8.493761 4.196487 3.554229 4.622670 4.894396 2.839377 2.203677 3.262062 2.833167 3.698882 2.919913 2.917999 3.451917 1.090140 4.190078 3.782100 5.404512 4.538896 6.607137 5.915210 5.249572 6.809017 4.271967 3.685844 2.489061 4.260670 4.572964 3.855179 2.308168 2.078595 3.197479 4.338187 3.675040 3.774930 1.750184 0.000000 10.087931 4.008643 2.715518 3.563373 3.486182 2.988441 2.198960 4.095356 3.492177 4.519739 2.866847 4.253483 2.687631 1.091001 5.671900 2.667958 6.756339 6.176481 8.043131 7.560047 3.878730 8.380288 4.991044 4.070035 3.570765 5.346353 5.100573 3.950560 2.632627 3.665924 4.369472 3.741311 2.891587 2.551719 1.749343 1.762376 0.000000 9.782620 0.968873 2.497259 1.991837 4.110101 1.955907 2.779771 3.195051 3.818924 3.720799 2.493502 4.463430 2.651904 3.909577 5.676857 3.729858 6.129500 6.665342 7.394380 7.850644 3.196472 8.156683 3.294148 4.245957 4.736494 4.782813 3.471716 2.793808 3.521908 4.801919 4.563906 2.511251 3.736179 2.452093 4.727987 4.472078 3.893464 0.000000 10.963300 4.885148 2.120335 3.203979 2.136848 4.043910 4.246963 5.149813 5.634729 6.178682 2.827415 5.058464 4.754573 3.485640 6.504698 1.078505 7.267541 7.338483 8.623303 8.685622 3.124320 9.244996 5.687930 6.406403 5.751034 7.009316 6.720788 3.463210 2.459068 4.775232 4.564747 5.632447 5.262981 4.183214 4.309929 3.476137 2.636992 4.556461 0.000000 4.832650 4.897496 5.970660 6.657919 8.084108 4.417816 5.566313 3.144073 5.309506 4.108671 4.573872 2.718576 6.854619 6.160216 2.148691 6.953163 1.083584 3.375869 2.131373 3.856031 7.857756 3.367228 2.558476 6.230606 5.412264 3.957280 4.564115 4.026784 4.581412 3.742156 2.599336 6.899839 7.654987 7.285344 6.969432 5.592488 6.746939 5.701496 6.951470 0.000000 4.834056 5.894105 6.734041 7.673198 8.578205 4.806963 4.660554 3.679058 3.698524 3.499195 5.456151 2.730463 6.061804 4.683206 2.145972 7.372044 3.375666 1.083410 3.855207 2.133486 8.669267 3.366682 4.344828 4.422383 2.937120 2.877919 4.506242 5.800042 4.992823 2.372654 3.577660 6.400572 6.272518 6.852940 4.847818 3.982539 5.664549 6.691001 7.084121 4.278661 0.000000 2.851259 7.044481 8.394963 9.061874 10.518020 6.631039 7.568409 5.175282 6.922753 5.636107 6.976107 4.659081 8.860607 8.167534 3.400997 9.364764 2.145024 3.853398 1.081551 3.392746 10.284434 2.150058 4.652916 7.694282 6.868376 5.044302 6.020449 6.478297 6.910793 5.490321 4.780256 8.803853 9.551951 9.445115 8.812334 7.535727 8.898179 7.925387 9.298868 2.453419 4.936753 0.000000 2.851999 7.774865 8.957387 9.836113 10.905303 6.899584 6.930668 5.519984 5.780459 5.210588 7.587310 4.667867 8.264095 7.119536 3.400781 9.682466 3.854062 2.146734 3.393455 1.081547 10.920804 2.148762 5.834228 6.319391 5.146724 4.251718 5.979835 7.711270 7.192483 4.665417 5.377966 8.420544 8.484753 9.117803 7.249875 6.431196 8.108463 8.668973 9.400263 4.937574 2.455592 4.288957 0.000000 13.125605 4.642841 3.107750 2.088006 2.136115 5.004041 5.322725 6.492895 6.798961 7.186279 4.455876 7.322118 4.698105 5.564284 8.750147 3.110476 9.264319 9.748859 10.621167 11.052486 1.078417 11.433980 6.688007 7.136031 7.496811 8.263101 7.093082 4.801317 5.142837 7.387966 7.064064 4.995822 5.361206 3.657734 6.251354 6.229850 4.780068 3.708163 4.138049 8.720006 9.619053 11.128625 11.850368 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7356628 0.1049373 0.1006335 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.860126 0.000000 10.323992 2.929568 0.000000 11.049164 2.802869 1.364200 0.000000 12.466589 4.779684 2.195451 2.256246 0.000000 8.318100 1.448656 2.513115 3.064618 4.535162 0.000000 8.938116 2.495258 3.182880 3.750919 4.697470 1.586887 0.000000 6.778548 2.351031 3.884005 4.493438 5.997981 1.553089 2.497790 0.000000 8.014238 3.172821 4.644258 5.152206 6.262098 2.472604 1.566544 2.430576 0.000000 6.848961 2.832256 4.899637 5.333847 6.835185 2.392958 2.501853 1.539125 1.538636 0.000000 8.860880 2.417739 1.465459 2.474898 3.623112 1.537623 2.658084 2.568632 3.834557 3.802619 0.000000 6.073044 3.767387 4.444416 5.381044 6.494544 2.629637 3.282935 1.547377 3.174269 2.569864 3.018749 0.000000 10.310790 2.780341 3.418460 3.509562 4.368080 2.594412 1.537684 3.780257 2.558772 3.572225 3.500484 4.778254 0.000000 9.333995 3.817907 3.351004 4.287930 4.509929 2.611199 1.541700 3.389510 2.540147 3.626409 2.966686 3.516076 2.483691 0.000000 4.562508 4.841770 5.874465 6.733381 7.968049 3.948518 4.597476 2.530990 4.089689 3.136218 4.418514 1.510792 6.066963 4.904720 0.000000 11.262346 4.186066 1.341049 2.204325 1.329550 3.612694 3.869779 4.962027 5.406233 5.916940 2.531588 5.276516 3.965028 3.538693 6.751412 0.000000 4.027063 5.266322 6.374418 7.121747 8.526913 4.631490 5.599089 3.230239 5.204077 4.015611 4.921757 2.527537 6.990421 6.037189 1.400330 7.347929 0.000000 4.028443 5.817704 6.959286 7.840509 8.975794 4.895528 5.175412 3.491212 4.323368 3.547452 5.545408 2.535904 6.632990 5.374345 1.398316 7.752895 2.402146 0.000000 2.734697 6.490974 7.759881 8.468431 9.917173 5.951480 6.850367 4.485082 6.264578 5.007973 6.310155 3.816745 8.229740 7.304493 2.435662 8.739882 1.392946 2.787942 0.000000 2.734170 6.952014 8.253839 9.089164 10.311595 6.163132 6.507026 4.680162 5.548709 4.638716 6.814549 3.824088 7.927186 6.763257 2.435825 9.088440 2.787982 1.395192 2.426706 0.000000 12.282412 4.032656 2.102417 1.322818 1.358943 4.198521 4.565094 5.690608 6.061189 6.462438 3.513411 6.473965 4.056640 4.826893 7.887866 2.100599 8.338427 8.953585 9.703386 10.244119 0.000000 1.771177 7.223829 8.582740 9.346113 10.713949 6.590813 7.220438 5.064938 6.390498 5.250649 7.118464 4.301902 8.624534 7.595628 2.791331 9.505477 2.396059 2.396130 1.391611 1.389535 10.559663 0.000000 6.533269 2.398369 4.198570 4.624227 6.374602 2.152142 3.416844 1.093020 3.380136 2.193282 2.903616 2.143377 4.509890 4.394624 2.697311 5.405101 2.892513 3.833039 4.094347 4.813294 5.910311 4.898471 0.000000 8.668873 3.622833 5.309783 5.616018 6.732344 3.273740 2.212620 3.363704 1.092511 2.194795 4.692658 4.237586 2.554332 3.231315 5.039401 6.040085 6.114728 5.141519 7.088968 6.261624 6.440343 7.133310 4.187449 0.000000 7.761231 4.130782 5.190577 5.896849 6.743771 3.175303 2.188461 2.922694 1.093319 2.168648 4.313125 3.128508 3.307764 2.486570 3.933243 5.786408 5.215976 3.898320 6.208912 5.141671 6.736668 6.156998 3.955753 1.756065 0.000000 5.972705 3.872578 5.870166 6.381861 7.836269 3.379343 3.430845 2.202668 2.202532 1.091834 4.670003 2.714178 4.557435 4.326550 2.757088 6.851334 3.682664 2.801240 4.447408 3.743830 7.519243 4.452825 2.707361 2.742084 2.396005 0.000000 7.280813 2.587830 5.166073 5.323643 7.055930 2.743289 2.988608 2.162677 2.177077 1.091969 4.218023 3.476531 3.660820 4.356667 3.940132 6.287680 4.566087 4.400942 5.470010 5.332927 6.481277 5.788850 2.400082 2.403470 3.036444 1.759807 0.000000 8.554794 2.632689 2.081625 2.783011 4.186760 2.151153 3.571230 2.748591 4.547262 4.162373 1.091432 3.175756 4.400135 4.009904 4.352297 3.201884 4.537684 5.632555 5.891696 6.781158 3.917799 6.869316 2.667231 5.416887 5.065049 4.950550 4.467285 0.000000 8.688637 3.376899 2.052217 3.322769 3.892867 2.186850 2.913172 2.875581 4.011528 4.119909 1.086498 2.757592 3.973300 2.677211 4.193617 2.608211 4.827281 5.239949 6.210961 6.541996 4.137096 6.933343 3.390120 4.970902 4.215118 4.838967 4.760965 1.767455 0.000000 6.520969 4.236086 4.624881 5.667322 6.484198 2.922401 3.036370 2.185001 2.867577 2.774351 3.346553 1.090593 4.572600 2.896796 2.132694 5.247172 3.395544 2.624051 4.556533 4.010657 6.627381 4.778680 3.057733 3.932968 2.493887 2.868914 3.823792 3.795135 2.864103 0.000000 6.507651 3.991610 4.051147 5.094171 6.070227 2.843104 3.736226 2.172623 4.012127 3.500505 2.639391 1.092710 5.167510 3.768108 2.125778 4.808247 2.713919 3.307709 4.063574 4.487716 6.139402 4.766716 2.502761 5.091766 4.008066 3.769893 4.304617 2.615970 2.207813 1.758814 0.000000 10.323009 2.513106 3.942695 3.721207 4.975994 2.861113 2.192305 3.899467 2.781891 3.492683 3.970551 5.146006 1.091128 3.457200 6.297891 4.692127 7.105979 6.874557 8.279852 8.081903 4.381095 8.697417 4.446291 2.526581 3.733095 4.492933 3.251754 4.690238 4.634810 5.105657 5.612710 0.000000 10.810888 3.838493 4.302109 4.458149 4.947784 3.535826 2.160676 4.562091 2.821289 4.124789 4.420310 5.406035 1.093964 2.660550 6.650189 4.611189 7.698428 7.030188 8.894576 8.318835 4.806771 9.149991 5.393852 2.551111 3.335299 4.978433 4.282810 5.384795 4.721602 5.008228 5.873419 1.766390 0.000000 11.009359 2.982631 2.784297 2.742913 3.353611 2.869955 2.193225 4.303239 3.523496 4.414246 3.311923 5.239537 1.094121 2.768729 6.631651 3.154913 7.469986 7.337036 8.775325 8.663270 3.054873 9.288678 4.937754 3.639429 4.210584 5.443646 4.495905 4.215887 3.827367 5.085853 5.416817 1.771180 1.765879 0.000000 9.769215 4.627049 4.334439 5.166865 5.211277 3.537932 2.159286 4.182939 2.712299 4.072856 4.051027 4.275281 2.745365 1.093896 5.527892 4.381577 6.766917 5.754662 7.954744 7.106452 5.577951 8.080960 5.237477 3.133260 2.416360 4.649870 4.794813 5.093810 3.752494 3.491040 4.665965 3.719842 2.466067 3.176913 0.000000 8.587918 4.219673 3.693324 4.818372 5.051769 2.823976 2.207440 3.192391 2.846457 3.642993 2.981084 2.843405 3.463273 1.091006 4.181175 3.898119 5.349253 4.629042 6.591251 6.017360 5.451454 6.852875 4.201593 3.742108 2.518001 4.153982 4.549002 3.896289 2.372608 2.076327 3.030068 4.345262 3.703021 3.757499 1.761626 0.000000 10.181879 4.066815 2.796052 3.776369 3.559351 2.978681 2.198419 4.057278 3.507886 4.512601 2.860889 4.201996 2.683549 1.091537 5.669260 2.641338 6.691902 6.275363 8.016364 7.670533 4.076296 8.423570 4.947361 4.120280 3.570263 5.299681 5.142034 3.941752 2.555400 3.694671 4.201516 3.731076 2.909460 2.518037 1.758835 1.767877 0.000000 9.781033 0.971902 2.461492 1.975790 4.045926 1.982240 2.828986 3.206546 3.819019 3.732433 2.474822 4.503351 2.706888 4.001224 5.682672 3.668911 6.090041 6.693887 7.349716 7.864135 3.156996 8.131573 3.266928 4.181138 4.763251 4.797617 3.487217 2.742074 3.507603 4.902573 4.575534 2.475838 3.793463 2.563273 4.814798 4.539176 4.000778 0.000000 11.122525 4.850668 2.127843 3.231980 2.153547 3.992803 4.111226 5.162380 5.568321 6.150029 2.854471 5.166537 4.451917 3.387009 6.624897 1.077922 7.298240 7.549705 8.673495 8.890274 3.156368 9.369217 5.709057 6.288802 5.747617 6.983737 6.684407 3.564789 2.490218 4.993194 4.630414 5.314457 4.960050 3.778375 4.178311 3.534065 2.447439 4.489707 0.000000 4.875858 4.898857 5.850589 6.527627 7.996918 4.392629 5.601128 3.198052 5.470953 4.277016 4.455808 2.725644 6.910165 6.094080 2.153602 6.867957 1.084958 3.388333 2.141214 3.872914 7.750434 3.377163 2.617167 6.401997 5.638772 4.200022 4.707725 3.868831 4.470989 3.743633 2.575961 7.003318 7.728878 7.255165 6.948217 5.472754 6.605088 5.634304 6.895084 0.000000 4.877006 5.908540 6.940108 7.862635 8.831518 4.877473 4.819186 3.655103 3.866124 3.459228 5.614145 2.740151 6.249608 4.862068 2.151417 7.622587 3.388238 1.084513 3.872430 2.142903 8.892406 3.376508 4.259454 4.628229 3.217393 2.725671 4.417120 5.904092 5.236316 2.393221 3.609319 6.577806 6.493333 7.009096 5.064880 4.138641 5.830441 6.747627 7.363922 4.289426 0.000000 2.872404 7.043036 8.309089 8.941750 10.465103 6.641364 7.680441 5.236617 7.173522 5.844883 6.897544 4.683866 9.011103 8.190764 3.417267 9.324957 2.157128 3.870743 1.082812 3.406175 10.191111 2.154290 4.668891 7.983927 7.200123 5.351118 6.185427 6.333138 6.864452 5.509840 4.784001 9.004939 9.741551 9.500850 8.900524 7.497519 8.840768 7.864865 9.303052 2.472658 4.955221 0.000000 2.873491 7.781302 9.111800 9.961155 11.118347 6.973002 7.129847 5.528885 6.037341 5.275077 7.699398 4.693315 8.514703 7.319592 3.416719 9.896243 3.870775 2.158552 3.406914 1.082797 11.087203 2.153064 5.755202 6.643866 5.509885 4.289914 5.966920 7.749598 7.388012 4.697182 5.413310 8.677931 8.792024 9.314680 7.520675 6.586162 8.277888 8.699530 9.657646 4.955700 2.473824 4.298867 0.000000 13.145141 4.637340 3.142207 2.101646 2.153198 5.044506 5.371601 6.532274 6.810908 7.203582 4.499473 7.431967 4.634234 5.747321 8.815997 3.143561 9.221992 9.883448 10.565349 11.155118 1.078875 11.443170 6.682571 7.066253 7.557382 8.282535 7.092612 4.820505 5.190873 7.614665 7.135921 4.788817 5.327619 3.623793 6.420884 6.445978 5.016749 3.686680 4.170551 8.605029 9.829686 11.014725 11.998750 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7145117 0.1033556 0.0984489 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= 636 636 636 636 636 MxSgAt= 44 MxSgA2= 44. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1942.6994235825 44 44 44 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 -0.0557160746 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1943.2636702097 44 44 44 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 -0.0558743286 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1944.2566556664 44 44 44 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 -0.0561690208 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1941.2384732147 44 44 44 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 -0.0558077216 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1944.0639484264 44 44 44 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 -0.0559197156 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1944.6078749599 44 44 44 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 -0.0560173819 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1944.1474552866 44 44 44 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 -0.0559813624 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1943.8630757337 44 44 44 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 -0.0559729701 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1943.6420954890 44 44 44 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 -0.0559545194 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1943.6470983689 44 44 44 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 -0.0559595914 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1943.6593542797 44 44 44 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 -0.0559605116 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1943.6983218191 44 44 44 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 -0.0559631080 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1943.7050249301 44 44 44 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 -0.0559624325 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 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= 624 RedAO= T EigKep= 1.13D-06 NBF= 624 NBsUse= 622 1.00D-06 EigRej= 9.06D-07 NBFU= 622 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= 633 632 632 632 633 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1360.45615103315 -1360.70339550522 -0.247244472076 -1361.03213397031 -0.328738465089 -1361.05014815230 -0.018014181982 -1361.06077954640 -0.010631394101 -1361.06123168071 -0.000452134309 -1361.06128042654 -0.000048745839 -1361.06128284203 -0.000002415483 -1361.06128311996 -0.000000277931 -1361.06128316010 -0.000000040138 -1361.06128316192 -0.000000001821 -1361.06128316219 -0.000000000269 -1361.06128316243 -0.000000000245 -1361.06128316226 0.000000000168 -1361.06128316 14 1.356599318216e+03 -7.106445723774e+03 2.429370946403e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830302963 LenY= 2829885001 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. 2.71036328e-02 -9.35080497e-02 1.45459688e+00 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 17 8 7 7 7 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 0.009782315 0.011620084 0.004319162 -0.004727211 -0.002428711 0.014203334 0.008623060 0.006430795 -0.004064604 -0.004350402 0.001729481 0.018007249 -0.007140106 -0.010812547 -0.008913736 0.007719156 0.001316494 -0.010202047 -0.003659125 0.000837026 -0.002557708 0.003206683 -0.000671487 0.003274756 -0.002531742 0.006223882 -0.001709604 0.000144444 0.005205938 0.003608662 0.007750171 0.002687593 -0.001230710 0.002384092 -0.001410275 -0.005209449 -0.005486007 -0.001839293 0.000989611 0.000775293 -0.001526448 -0.006411470 -0.000293048 -0.001776864 -0.001161356 0.009436396 0.004175500 -0.013295060 0.000752199 -0.004304748 0.002292968 -0.003220225 0.001254412 -0.003760852 0.003293107 -0.001577661 0.003745056 -0.000925691 0.004286447 -0.002754506 -0.012384637 -0.010171951 0.006485045 -0.005027942 -0.005901429 -0.002064495 -0.001004194 -0.000658613 -0.000434074 -0.001110605 -0.000202251 0.000471157 0.000792611 -0.000737478 -0.000347298 0.000839659 0.000429971 -0.000436135 -0.000768181 -0.001235220 0.000907889 -0.000890856 0.000212624 0.001563227 -0.001438774 0.000301895 0.000077369 -0.000718940 0.000234094 0.000955264 0.000337696 -0.000517566 0.000735247 0.000896816 0.000027931 0.001635820 -0.000571686 0.001352737 -0.001388642 0.001281528 -0.001679125 -0.000033372 -0.001439584 0.001441867 0.000006842 0.001189865 0.000084470 0.000598095 -0.000165109 -0.001329967 0.000995125 -0.001064226 -0.002258181 0.000004048 0.000078483 0.000978879 0.000303202 -0.000392114 -0.001015266 0.000343287 -0.000956032 -0.000163603 -0.000452188 0.001020916 0.000423729 0.000651503 0.000384367 0.001185494 -0.000169659 -0.000422420 -0.000222659 0.000423050 0.018007249 0.004342413 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1361.06525565768 -1361.06525762197 -0.000001964293 -1361.06525762153 0.000000000448 -1361.06525763779 -0.000000016260 -1361.06525763838 -0.000000000592 -1361.06525763845 -0.000000000073 -1361.06525763848 -0.000000000030 -1361.06525763855 -0.000000000067 -1361.06525763855 -0.000000000005 -1361.06525764 9 1.355969507621e+03 -7.074458780418e+03 2.413767859650e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830302963 LenY= 2829885001 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) PT130097.200S Tue Jul 27 00:28:33 2021 1.30167821e-01 1.03813308e-01 1.64462941e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1361.0652576 3.667E-9 8.378E-6 -1.8147542,-6.4514017,8.2661559,-18.4216071,-0.9988254,-6.2442839 C01 [X(C17H22Cl1N3O1)] 0.2252177 -0.0637826 -1.6363788 0.000012956 0.000020197 0.000014699 -0.000011809 -0.000006828 0.000014092 -0.000013841 -0.000015067 -0.000018708 -0.000000981 -0.000016832 -0.000013643 0.000009167 -0.000007072 -0.000000030 0.000015770 0.000011088 -0.000018814 -0.000001216 -0.000000122 0.000008543 -0.000009564 -0.000024591 0.000001229 0.000001293 -0.000012011 0.000001739 -0.000004895 0.000009380 -0.000002077 -0.000004422 0.000008411 0.000004239 -0.000007297 -0.000006165 0.000009594 0.000011096 -0.000003197 -0.000004394 0.000005269 0.000001316 0.000001534 0.000000836 0.000015752 -0.000002536 0.000002631 0.000006061 0.000027656 -0.000000120 -0.000004397 0.000007061 -0.000008184 -0.000010936 -0.000000576 0.000008892 -0.000000196 0.000013500 0.000009616 0.000018791 0.000006848 0.000016919 0.000024546 -0.000011304 -0.000022612 -0.000010533 -0.000006931 0.000001037 -0.000000950 0.000001834 -0.000002869 0.000001764 -0.000005545 -0.000002779 0.000004811 -0.000002473 -0.000003458 -0.000000897 0.000003207 -0.000002014 0.000002500 0.000001369 0.000003350 -0.000000089 -0.000000774 0.000010060 -0.000000650 -0.000000318 0.000000352 0.000001526 -0.000003425 0.000000713 0.000002328 -0.000006478 -0.000002042 -0.000001906 -0.000000225 -0.000003287 -0.000001707 -0.000005100 -0.000003738 -0.000001870 -0.000003533 0.000001090 0.000000495 -0.000006573 0.000004591 -0.000000549 -0.000002564 0.000002320 -0.000001125 -0.000003359 0.000000061 0.000004127 -0.000001968 0.000001564 -0.000001287 -0.000007392 -0.000003326 -0.000000798 0.000003803 -0.000002582 0.000000603 0.000000306 -0.000004592 0.000001407 0.000006054 -0.000004223 -0.000001020 0.000005247 0.000000267 -0.000004309 -0.000003815 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-DEPAZ24 PAULAPLA Optimization metconazole_trans CONF16 water EM64L-G16RevC.01 126 C1[X(C17H22ClN3O)] 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization metconazole_trans CONF16 water 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 35 16 14 14 14 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 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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/metconazole_trans/water/CONF16/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 1 2 2 3 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 17 17 18 18 19 19 20 20 21 22 6 38 4 11 16 21 16 21 7 8 11 9 13 14 10 12 23 10 24 25 26 27 28 29 15 30 31 32 33 34 35 36 37 17 18 39 19 40 20 41 22 42 22 43 44 1.7712 1.4487 0.9719 1.3642 1.4655 1.341 1.3228 1.3296 1.3589 1.5869 1.5531 1.5376 1.5665 1.5377 1.5417 1.5391 1.5474 1.093 1.5386 1.0925 1.0933 1.0918 1.092 1.0914 1.0865 1.5108 1.0906 1.0927 1.0911 1.094 1.0941 1.0939 1.091 1.0915 1.4003 1.3983 1.0779 1.3929 1.085 1.3952 1.0845 1.3916 1.0828 1.3895 1.0828 1.0789 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 6 4 4 11 3 16 2 2 2 7 7 8 6 6 6 9 9 13 6 6 6 10 10 12 7 7 7 10 10 24 8 8 8 9 9 26 3 3 3 6 6 28 8 8 8 15 15 30 7 7 7 32 32 33 7 7 7 35 35 36 12 12 17 3 3 5 15 15 19 15 15 20 17 17 22 18 18 22 4 4 5 1 1 19 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 38 11 16 16 21 21 7 8 11 8 11 11 9 13 14 13 14 14 10 12 23 12 23 23 10 24 25 24 25 25 9 26 27 26 27 27 6 28 29 28 29 29 15 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 17 18 18 5 39 39 19 40 40 20 41 41 22 42 42 22 43 43 5 44 44 19 20 20 108.3408 121.9611 109.1386 128.8016 102.9573 102.7595 110.4914 103.0579 108.08 105.3963 116.5714 112.4189 103.2731 112.2549 113.1459 111.0289 109.6141 107.5212 101.4036 116.0203 107.571 112.7361 111.7522 107.2839 107.353 111.3838 109.4381 111.94 109.8113 106.9093 104.3191 112.5843 109.3884 112.6085 110.5559 107.3839 113.5953 108.1103 106.1086 108.625 111.7394 108.4912 111.7037 110.6535 109.5553 109.067 108.4044 107.3315 111.8919 109.2157 111.783 107.8763 108.2927 107.616 108.8376 112.838 112.0728 107.4665 107.1817 108.1934 120.461 121.2681 118.2579 110.5867 122.8296 126.5796 121.3774 119.5794 119.0431 121.3742 119.5788 119.047 118.7413 120.7071 120.5514 118.735 120.6509 120.6141 114.555 121.7764 123.6675 119.1997 119.2861 121.5141 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 38 38 38 11 16 4 4 4 16 16 16 4 4 11 11 3 3 21 21 16 16 2 2 2 8 8 8 11 11 11 2 2 2 7 7 7 11 11 11 2 2 2 7 7 7 8 8 8 6 6 6 13 13 13 14 14 14 6 6 6 9 9 9 14 14 14 6 6 6 9 9 9 13 13 13 6 6 6 12 12 12 23 23 23 6 6 6 10 10 10 23 23 23 7 7 7 24 24 24 25 25 25 8 8 30 30 31 31 12 12 18 18 12 12 17 17 15 15 40 40 15 15 41 41 17 17 42 42 18 18 43 43 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 6 6 6 4 4 11 11 11 11 11 11 16 16 16 16 21 21 16 16 21 21 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 22 22 22 22 7 8 11 21 21 6 28 29 6 28 29 5 39 5 39 5 44 3 39 4 44 9 13 14 9 13 14 9 13 14 10 12 23 10 12 23 10 12 23 3 28 29 3 28 29 3 28 29 10 24 25 10 24 25 10 24 25 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 9 26 27 9 26 27 9 26 27 15 30 31 15 30 31 15 30 31 8 26 27 8 26 27 8 26 27 17 18 17 18 17 18 19 40 19 40 20 41 20 41 22 42 22 42 22 43 22 43 1 20 1 20 1 19 1 19 81.7487 -166.0645 -46.8847 176.5138 -0.1709 -56.7093 63.923 -179.8597 119.2707 -120.097 -3.8796 -0.1694 -179.4844 -176.5599 4.1251 0.4632 -179.8901 0.4208 179.704 -0.5625 179.7984 88.3399 -31.3227 -153.2402 -22.3363 -141.999 96.0836 -147.7878 92.5495 -29.3679 -76.1542 161.3521 41.2605 39.7332 -82.7606 157.1479 167.7218 45.2281 -74.8634 61.9033 -58.4387 -178.0886 -63.1974 176.4606 56.8107 174.9691 54.627 -65.0229 -3.6861 -126.5571 115.4458 116.8163 -6.0547 -124.0518 -124.5369 112.5921 -5.405 60.249 179.6155 -61.4098 -54.7809 64.5856 -176.4396 -174.6819 -55.3154 63.6593 -169.6624 -50.4671 71.9686 -54.9912 64.2041 -173.3602 65.8047 -175.0 -52.5642 -41.7815 -164.1851 76.5124 82.9514 -39.4521 -158.7547 -156.1156 81.4809 -37.8217 -174.9494 63.3298 -54.8175 68.7471 -52.9737 -171.1211 -54.7028 -176.4236 65.429 28.58 150.9676 -88.9123 151.1069 -86.5055 33.6145 -90.312 32.0757 152.1957 75.1438 -103.5245 -162.2245 19.1071 -45.6609 135.6707 -178.7046 1.4218 0.0031 -179.8704 178.6963 -1.3298 -0.0006 179.9734 0.076 -179.7496 179.9503 0.1246 -0.0812 179.9262 179.9447 -0.0479 179.9885 -0.1617 -0.1856 179.6643 -179.9861 0.1642 0.0064 -179.8433 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00084 0.00239 0.00315 0.00383 0.00456 0.00620 0.00785 0.00928 0.01036 0.01577 0.01609 0.01720 0.01753 0.01904 0.02039 0.02178 0.02241 0.02522 0.02552 0.02633 0.02851 0.02883 0.03612 0.03689 0.03882 0.03997 0.04164 0.04296 0.04350 0.04459 0.04522 0.04530 0.04614 0.04633 0.04742 0.04881 0.05352 0.05586 0.05664 0.05873 0.06077 0.06481 0.06769 0.07278 0.07474 0.07998 0.08204 0.08490 0.09039 0.09580 0.09972 0.11171 0.11216 0.11442 0.11717 0.11822 0.12007 0.12151 0.12238 0.12534 0.12807 0.14021 0.14521 0.14973 0.14976 0.15373 0.15427 0.17583 0.17865 0.18514 0.18851 0.19041 0.19294 0.20250 0.20520 0.20835 0.21552 0.22624 0.23023 0.23577 0.24715 0.25057 0.25718 0.26330 0.26757 0.27109 0.28088 0.28595 0.29288 0.29451 0.30810 0.31747 0.32684 0.33020 0.33089 0.33140 0.33225 0.33402 0.33477 0.33528 0.33875 0.33950 0.33986 0.34226 0.34388 0.34452 0.34678 0.35416 0.35451 0.35698 0.35997 0.36145 0.36572 0.37252 0.37646 0.40609 0.40781 0.41686 0.41764 0.44215 0.46071 0.46223 0.48484 0.50105 0.51446 0.56138 Angle between quadratic step and forces= 78.34 degrees. 1 2 0.00043913 0.00000011 0.00000006 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 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 3.34704 2.73756 1.83663 2.57796 2.76932 2.53422 2.49976 2.51249 2.56803 2.99878 2.93491 2.90569 2.96034 2.90580 2.91339 2.90852 2.92412 2.06551 2.90760 2.06455 2.06607 2.06327 2.06352 2.06251 2.05318 2.85498 2.06092 2.06492 2.06193 2.06729 2.06759 2.06716 2.06170 2.06271 2.64624 2.64243 2.03698 2.63229 2.05027 2.63653 2.04943 2.62976 2.04622 2.62584 2.04619 2.03878 1.89090 2.12862 1.90483 2.24801 1.79694 1.79349 1.92844 1.79870 1.88635 1.83951 2.03456 1.96208 1.80246 1.95922 1.97477 1.93782 1.91313 1.87660 1.76983 2.02494 1.87747 1.96762 1.95044 1.87246 1.87366 1.94401 1.91005 1.95372 1.91657 1.86592 1.82071 1.96497 1.90919 1.96539 1.92956 1.87420 1.98261 1.88688 1.85194 1.89586 1.95022 1.89353 1.94960 1.93127 1.91210 1.90358 1.89201 1.87329 1.95288 1.90617 1.95098 1.88280 1.89006 1.87825 1.89957 1.96939 1.95604 1.87564 1.87067 1.88833 2.10244 2.11653 2.06399 1.93010 2.14378 2.20923 2.11843 2.08705 2.07769 2.11838 2.08704 2.07776 2.07243 2.10674 2.10402 2.07232 2.10575 2.10511 1.99936 2.12540 2.15841 2.08043 2.08193 2.12082 1.42678 -2.89837 -0.81829 3.08075 -0.00298 -0.98976 1.11567 -3.13914 2.08167 -2.09609 -0.06771 -0.00296 -3.13259 -3.08155 0.07200 0.00808 -3.13967 0.00734 3.13643 -0.00982 3.13807 1.54182 -0.54669 -2.67455 -0.38984 -2.47835 1.67698 -2.57938 1.61529 -0.51257 -1.32914 2.81612 0.72013 0.69347 -1.44444 2.74275 2.92730 0.78938 -1.30661 1.08042 -1.01995 -3.10823 -1.10300 3.07982 0.99153 3.05379 0.95342 -1.13486 -0.06433 -2.20884 2.01491 2.03883 -0.10567 -2.16511 -2.17358 1.96510 -0.09433 1.05154 3.13488 -1.07180 -0.95611 1.12723 -3.07945 -3.04877 -0.96544 1.11107 -2.96117 -0.88082 1.25609 -0.95978 1.12057 -3.02571 1.14851 -3.05433 -0.91742 -0.72923 -2.86557 1.33539 1.44778 -0.68857 -2.77079 -2.72473 1.42211 -0.66011 -3.05344 1.10531 -0.95675 1.19986 -0.92457 -2.98663 -0.95474 -3.07917 1.14195 0.49882 2.63488 -1.55181 2.63731 -1.50981 0.58668 -1.57624 0.55983 2.65632 1.31151 -1.80684 -2.83135 0.33348 -0.79693 2.36790 -3.11898 0.02482 0.00005 -3.13933 3.11884 -0.02321 -0.00001 3.14113 0.00133 -3.13722 3.14072 0.00217 -0.00142 3.14030 3.14063 -0.00084 3.14139 -0.00282 -0.00324 3.13573 -3.14135 0.00287 0.00011 -3.13886 0.00003 0.00002 -0.00001 -0.00001 0.00001 -0.00002 -0.00002 -0.00001 -0.00001 -0.00000 -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 0.00001 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 0.00002 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 0.00000 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 0.00001 -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 0.00001 -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 0.00001 -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 -0.00001 -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 0.00014 0.00009 -0.00002 -0.00001 0.00001 -0.00005 -0.00004 -0.00000 -0.00002 -0.00006 -0.00008 -0.00002 -0.00000 -0.00001 0.00002 0.00006 0.00000 0.00000 0.00003 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 0.00006 0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00003 -0.00002 0.00001 0.00001 0.00000 0.00005 0.00001 0.00002 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 -0.00002 0.00000 0.00003 -0.00001 -0.00003 -0.00004 -0.00001 -0.00000 0.00002 0.00004 -0.00001 -0.00001 0.00003 -0.00006 -0.00001 0.00003 0.00001 0.00003 0.00003 0.00001 -0.00014 0.00003 0.00003 0.00003 0.00000 0.00002 -0.00000 0.00002 -0.00007 -0.00001 -0.00004 0.00005 0.00000 0.00003 -0.00002 0.00004 -0.00002 0.00001 -0.00001 0.00004 -0.00006 0.00005 -0.00001 0.00010 -0.00005 -0.00001 -0.00007 -0.00000 0.00001 0.00005 -0.00002 -0.00001 -0.00003 0.00004 0.00002 -0.00002 -0.00000 -0.00001 -0.00002 -0.00001 0.00000 0.00001 0.00001 0.00004 -0.00005 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00003 0.00001 0.00002 -0.00002 -0.00001 0.00003 0.00002 -0.00000 -0.00002 -0.00003 -0.00001 0.00004 -0.00013 -0.00014 -0.00015 0.00015 -0.00003 -0.00015 -0.00016 -0.00023 0.00007 0.00007 -0.00001 0.00000 -0.00003 -0.00020 -0.00023 0.00006 0.00000 0.00003 0.00006 -0.00005 -0.00000 -0.00017 -0.00017 -0.00017 -0.00015 -0.00015 -0.00015 -0.00018 -0.00018 -0.00018 0.00008 0.00021 0.00013 0.00003 0.00016 0.00009 0.00009 0.00022 0.00015 0.00010 0.00011 0.00017 0.00013 0.00014 0.00020 0.00008 0.00009 0.00015 0.00021 0.00019 0.00026 0.00024 0.00022 0.00029 0.00026 0.00025 0.00032 -0.00003 -0.00006 -0.00006 -0.00004 -0.00006 -0.00006 -0.00008 -0.00010 -0.00010 0.00008 0.00012 0.00009 0.00006 0.00010 0.00006 0.00007 0.00011 0.00008 0.00013 0.00015 0.00017 0.00011 0.00014 0.00016 0.00008 0.00010 0.00013 0.00026 0.00030 0.00034 0.00030 0.00034 0.00037 0.00032 0.00037 0.00040 -0.00022 -0.00027 -0.00028 -0.00020 -0.00025 -0.00026 -0.00028 -0.00033 -0.00034 -0.00076 -0.00087 -0.00078 -0.00089 -0.00091 -0.00101 -0.00012 -0.00013 -0.00002 -0.00003 0.00013 0.00011 0.00003 0.00001 -0.00000 -0.00002 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00003 0.00001 0.00002 0.00003 0.00004 -0.00001 -0.00002 -0.00003 -0.00003 0.00014 0.00009 -0.00002 -0.00001 0.00001 -0.00005 -0.00004 -0.00000 -0.00002 -0.00006 -0.00008 -0.00002 -0.00000 -0.00001 0.00002 0.00006 0.00000 0.00000 0.00003 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 0.00006 0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00003 -0.00002 0.00001 0.00001 0.00000 0.00005 0.00001 0.00002 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 -0.00002 0.00000 0.00003 -0.00001 -0.00003 -0.00004 -0.00001 -0.00000 0.00002 0.00004 -0.00001 -0.00001 0.00003 -0.00006 -0.00001 0.00003 0.00001 0.00003 0.00003 0.00001 -0.00014 0.00003 0.00003 0.00003 0.00000 0.00002 -0.00000 0.00002 -0.00007 -0.00001 -0.00004 0.00005 0.00000 0.00003 -0.00002 0.00004 -0.00002 0.00001 -0.00001 0.00004 -0.00006 0.00005 -0.00001 0.00010 -0.00005 -0.00001 -0.00007 -0.00000 0.00001 0.00005 -0.00002 -0.00001 -0.00003 0.00004 0.00002 -0.00002 -0.00000 -0.00001 -0.00002 -0.00001 0.00000 0.00001 0.00001 0.00004 -0.00005 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00003 0.00001 0.00002 -0.00002 -0.00001 0.00003 0.00002 -0.00000 -0.00002 -0.00003 -0.00001 0.00004 -0.00013 -0.00014 -0.00015 0.00015 -0.00003 -0.00015 -0.00016 -0.00023 0.00007 0.00007 -0.00001 0.00000 -0.00003 -0.00020 -0.00023 0.00006 0.00000 0.00003 0.00006 -0.00005 -0.00000 -0.00017 -0.00017 -0.00017 -0.00015 -0.00015 -0.00015 -0.00018 -0.00018 -0.00018 0.00008 0.00021 0.00013 0.00003 0.00016 0.00009 0.00009 0.00022 0.00015 0.00010 0.00011 0.00017 0.00013 0.00014 0.00020 0.00008 0.00009 0.00015 0.00021 0.00019 0.00026 0.00024 0.00022 0.00029 0.00026 0.00025 0.00032 -0.00003 -0.00006 -0.00006 -0.00004 -0.00006 -0.00006 -0.00008 -0.00010 -0.00010 0.00008 0.00012 0.00009 0.00006 0.00010 0.00006 0.00007 0.00011 0.00008 0.00013 0.00015 0.00017 0.00011 0.00014 0.00016 0.00008 0.00010 0.00013 0.00026 0.00030 0.00034 0.00030 0.00034 0.00037 0.00032 0.00037 0.00040 -0.00022 -0.00027 -0.00028 -0.00020 -0.00025 -0.00026 -0.00028 -0.00033 -0.00034 -0.00076 -0.00087 -0.00078 -0.00089 -0.00091 -0.00101 -0.00012 -0.00013 -0.00002 -0.00003 0.00013 0.00011 0.00003 0.00001 -0.00000 -0.00002 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00003 0.00001 0.00002 0.00003 0.00004 -0.00001 -0.00002 -0.00003 -0.00003 3.34718 2.73765 1.83661 2.57795 2.76933 2.53417 2.49972 2.51248 2.56801 2.99872 2.93483 2.90567 2.96034 2.90579 2.91341 2.90858 2.92412 2.06551 2.90763 2.06455 2.06608 2.06327 2.06352 2.06251 2.05319 2.85504 2.06093 2.06493 2.06194 2.06731 2.06759 2.06717 2.06171 2.06271 2.64627 2.64241 2.03699 2.63230 2.05028 2.63658 2.04944 2.62979 2.04621 2.62582 2.04618 2.03879 1.89089 2.12860 1.90483 2.24804 1.79693 1.79346 1.92840 1.79869 1.88635 1.83953 2.03459 1.96207 1.80245 1.95925 1.97471 1.93781 1.91316 1.87661 1.76986 2.02497 1.87748 1.96748 1.95048 1.87249 1.87369 1.94401 1.91008 1.95372 1.91659 1.86585 1.82070 1.96493 1.90923 1.96539 1.92959 1.87418 1.98265 1.88686 1.85196 1.89585 1.95026 1.89346 1.94964 1.93126 1.91220 1.90352 1.89200 1.87322 1.95288 1.90618 1.95104 1.88277 1.89006 1.87822 1.89961 1.96941 1.95602 1.87564 1.87066 1.88831 2.10243 2.11653 2.06400 1.93012 2.14382 2.20918 2.11843 2.08704 2.07771 2.11838 2.08704 2.07776 2.07240 2.10674 2.10404 2.07230 2.10574 2.10515 1.99939 2.12540 2.15838 2.08040 2.08192 2.12086 1.42665 -2.89851 -0.81844 3.08090 -0.00302 -0.98992 1.11551 -3.13937 2.08174 -2.09602 -0.06772 -0.00296 -3.13262 -3.08175 0.07177 0.00814 -3.13967 0.00737 3.13649 -0.00987 3.13807 1.54166 -0.54685 -2.67471 -0.38999 -2.47850 1.67683 -2.57956 1.61511 -0.51275 -1.32907 2.81633 0.72027 0.69350 -1.44428 2.74284 2.92739 0.78960 -1.30647 1.08052 -1.01984 -3.10806 -1.10287 3.07996 0.99174 3.05387 0.95351 -1.13471 -0.06413 -2.20865 2.01517 2.03907 -0.10545 -2.16482 -2.17331 1.96535 -0.09402 1.05151 3.13483 -1.07186 -0.95615 1.12717 -3.07952 -3.04885 -0.96554 1.11097 -2.96108 -0.88070 1.25618 -0.95972 1.12067 -3.02564 1.14858 -3.05422 -0.91734 -0.72910 -2.86542 1.33557 1.44789 -0.68843 -2.77063 -2.72465 1.42221 -0.65999 -3.05319 1.10562 -0.95641 1.20016 -0.92423 -2.98625 -0.95442 -3.07881 1.14235 0.49859 2.63461 -1.55210 2.63711 -1.51006 0.58642 -1.57652 0.55950 2.65598 1.31074 -1.80771 -2.83214 0.33259 -0.79784 2.36689 -3.11911 0.02468 0.00003 -3.13936 3.11897 -0.02309 0.00002 3.14114 0.00133 -3.13724 3.14073 0.00217 -0.00143 3.14032 3.14063 -0.00081 3.14140 -0.00280 -0.00321 3.13577 -3.14136 0.00285 0.00008 -3.13889 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000026 0.000004 0.002343 0.000439 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.968699e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1943.7050249301 44 44 44 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 -0.0559624325 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 8.860126 0.000000 10.323992 2.929568 0.000000 11.049164 2.802869 1.364200 0.000000 12.466589 4.779684 2.195451 2.256246 0.000000 8.318100 1.448656 2.513115 3.064618 4.535162 0.000000 8.938116 2.495258 3.182880 3.750919 4.697470 1.586887 0.000000 6.778548 2.351031 3.884005 4.493438 5.997981 1.553089 2.497790 0.000000 8.014238 3.172821 4.644258 5.152206 6.262098 2.472604 1.566544 2.430576 0.000000 6.848961 2.832256 4.899637 5.333847 6.835185 2.392958 2.501853 1.539125 1.538636 0.000000 8.860880 2.417739 1.465459 2.474898 3.623112 1.537623 2.658084 2.568632 3.834557 3.802619 0.000000 6.073044 3.767387 4.444416 5.381044 6.494544 2.629637 3.282935 1.547377 3.174269 2.569864 3.018749 0.000000 10.310790 2.780341 3.418460 3.509562 4.368080 2.594412 1.537684 3.780257 2.558772 3.572225 3.500484 4.778254 0.000000 9.333995 3.817907 3.351004 4.287930 4.509929 2.611199 1.541700 3.389510 2.540147 3.626409 2.966686 3.516076 2.483691 0.000000 4.562508 4.841770 5.874465 6.733381 7.968049 3.948518 4.597476 2.530990 4.089689 3.136218 4.418514 1.510792 6.066963 4.904720 0.000000 11.262346 4.186066 1.341049 2.204325 1.329550 3.612694 3.869779 4.962027 5.406233 5.916940 2.531588 5.276516 3.965028 3.538693 6.751412 0.000000 4.027063 5.266322 6.374418 7.121747 8.526913 4.631490 5.599089 3.230239 5.204077 4.015611 4.921757 2.527537 6.990421 6.037189 1.400330 7.347929 0.000000 4.028443 5.817704 6.959286 7.840509 8.975794 4.895528 5.175412 3.491212 4.323368 3.547452 5.545408 2.535904 6.632990 5.374345 1.398316 7.752895 2.402146 0.000000 2.734697 6.490974 7.759881 8.468431 9.917173 5.951480 6.850367 4.485082 6.264578 5.007973 6.310155 3.816745 8.229740 7.304493 2.435662 8.739882 1.392946 2.787942 0.000000 2.734170 6.952014 8.253839 9.089164 10.311595 6.163132 6.507026 4.680162 5.548709 4.638716 6.814549 3.824088 7.927186 6.763257 2.435825 9.088440 2.787982 1.395192 2.426706 0.000000 12.282412 4.032656 2.102417 1.322818 1.358943 4.198521 4.565094 5.690608 6.061189 6.462438 3.513411 6.473965 4.056640 4.826893 7.887866 2.100599 8.338427 8.953585 9.703386 10.244119 0.000000 1.771177 7.223829 8.582740 9.346113 10.713949 6.590813 7.220438 5.064938 6.390498 5.250649 7.118464 4.301902 8.624534 7.595628 2.791331 9.505477 2.396059 2.396130 1.391611 1.389535 10.559663 0.000000 6.533269 2.398369 4.198570 4.624227 6.374602 2.152142 3.416844 1.093020 3.380136 2.193282 2.903616 2.143377 4.509890 4.394624 2.697311 5.405101 2.892513 3.833039 4.094347 4.813294 5.910311 4.898471 0.000000 8.668873 3.622833 5.309783 5.616018 6.732344 3.273740 2.212620 3.363704 1.092511 2.194795 4.692658 4.237586 2.554332 3.231315 5.039401 6.040085 6.114728 5.141519 7.088968 6.261624 6.440343 7.133310 4.187449 0.000000 7.761231 4.130782 5.190577 5.896849 6.743771 3.175303 2.188461 2.922694 1.093319 2.168648 4.313125 3.128508 3.307764 2.486570 3.933243 5.786408 5.215976 3.898320 6.208912 5.141671 6.736668 6.156998 3.955753 1.756065 0.000000 5.972705 3.872578 5.870166 6.381861 7.836269 3.379343 3.430845 2.202668 2.202532 1.091834 4.670003 2.714178 4.557435 4.326550 2.757088 6.851334 3.682664 2.801240 4.447408 3.743830 7.519243 4.452825 2.707361 2.742084 2.396005 0.000000 7.280813 2.587830 5.166073 5.323643 7.055930 2.743289 2.988608 2.162677 2.177077 1.091969 4.218023 3.476531 3.660820 4.356667 3.940132 6.287680 4.566087 4.400942 5.470010 5.332927 6.481277 5.788850 2.400082 2.403470 3.036444 1.759807 0.000000 8.554794 2.632689 2.081625 2.783011 4.186760 2.151153 3.571230 2.748591 4.547262 4.162373 1.091432 3.175756 4.400135 4.009904 4.352297 3.201884 4.537684 5.632555 5.891696 6.781158 3.917799 6.869316 2.667231 5.416887 5.065049 4.950550 4.467285 0.000000 8.688637 3.376899 2.052217 3.322769 3.892867 2.186850 2.913172 2.875581 4.011528 4.119909 1.086498 2.757592 3.973300 2.677211 4.193617 2.608211 4.827281 5.239949 6.210961 6.541996 4.137096 6.933343 3.390120 4.970902 4.215118 4.838967 4.760965 1.767455 0.000000 6.520969 4.236086 4.624881 5.667322 6.484198 2.922401 3.036370 2.185001 2.867577 2.774351 3.346553 1.090593 4.572600 2.896796 2.132694 5.247172 3.395544 2.624051 4.556533 4.010657 6.627381 4.778680 3.057733 3.932968 2.493887 2.868914 3.823792 3.795135 2.864103 0.000000 6.507651 3.991610 4.051147 5.094171 6.070227 2.843104 3.736226 2.172623 4.012127 3.500505 2.639391 1.092710 5.167510 3.768108 2.125778 4.808247 2.713919 3.307709 4.063574 4.487716 6.139402 4.766716 2.502761 5.091766 4.008066 3.769893 4.304617 2.615970 2.207813 1.758814 0.000000 10.323009 2.513106 3.942695 3.721207 4.975994 2.861113 2.192305 3.899467 2.781891 3.492683 3.970551 5.146006 1.091128 3.457200 6.297891 4.692127 7.105979 6.874557 8.279852 8.081903 4.381095 8.697417 4.446291 2.526581 3.733095 4.492933 3.251754 4.690238 4.634810 5.105657 5.612710 0.000000 10.810888 3.838493 4.302109 4.458149 4.947784 3.535826 2.160676 4.562091 2.821289 4.124789 4.420310 5.406035 1.093964 2.660550 6.650189 4.611189 7.698428 7.030188 8.894576 8.318835 4.806771 9.149991 5.393852 2.551111 3.335299 4.978433 4.282810 5.384795 4.721602 5.008228 5.873419 1.766390 0.000000 11.009359 2.982631 2.784297 2.742913 3.353611 2.869955 2.193225 4.303239 3.523496 4.414246 3.311923 5.239537 1.094121 2.768729 6.631651 3.154913 7.469986 7.337036 8.775325 8.663270 3.054873 9.288678 4.937754 3.639429 4.210584 5.443646 4.495905 4.215887 3.827367 5.085853 5.416817 1.771180 1.765879 0.000000 9.769215 4.627049 4.334439 5.166865 5.211277 3.537932 2.159286 4.182939 2.712299 4.072856 4.051027 4.275281 2.745365 1.093896 5.527892 4.381577 6.766917 5.754662 7.954744 7.106452 5.577951 8.080960 5.237477 3.133260 2.416360 4.649870 4.794813 5.093810 3.752494 3.491040 4.665965 3.719842 2.466067 3.176913 0.000000 8.587918 4.219673 3.693324 4.818372 5.051769 2.823976 2.207440 3.192391 2.846457 3.642993 2.981084 2.843405 3.463273 1.091006 4.181175 3.898119 5.349253 4.629042 6.591251 6.017360 5.451454 6.852875 4.201593 3.742108 2.518001 4.153982 4.549002 3.896289 2.372608 2.076327 3.030068 4.345262 3.703021 3.757499 1.761626 0.000000 10.181879 4.066815 2.796052 3.776369 3.559351 2.978681 2.198419 4.057278 3.507886 4.512601 2.860889 4.201996 2.683549 1.091537 5.669260 2.641338 6.691902 6.275363 8.016364 7.670533 4.076296 8.423570 4.947361 4.120280 3.570263 5.299681 5.142034 3.941752 2.555400 3.694671 4.201516 3.731076 2.909460 2.518037 1.758835 1.767877 0.000000 9.781033 0.971902 2.461492 1.975790 4.045926 1.982240 2.828986 3.206546 3.819019 3.732433 2.474822 4.503351 2.706888 4.001224 5.682672 3.668911 6.090041 6.693887 7.349716 7.864135 3.156996 8.131573 3.266928 4.181138 4.763251 4.797617 3.487217 2.742074 3.507603 4.902573 4.575534 2.475838 3.793463 2.563273 4.814798 4.539176 4.000778 0.000000 11.122525 4.850668 2.127843 3.231980 2.153547 3.992803 4.111226 5.162380 5.568321 6.150029 2.854471 5.166537 4.451917 3.387009 6.624897 1.077922 7.298240 7.549705 8.673495 8.890274 3.156368 9.369217 5.709057 6.288802 5.747617 6.983737 6.684407 3.564789 2.490218 4.993194 4.630414 5.314457 4.960050 3.778375 4.178311 3.534065 2.447439 4.489707 0.000000 4.875858 4.898857 5.850589 6.527627 7.996918 4.392629 5.601128 3.198052 5.470953 4.277016 4.455808 2.725644 6.910165 6.094080 2.153602 6.867957 1.084958 3.388333 2.141214 3.872914 7.750434 3.377163 2.617167 6.401997 5.638772 4.200022 4.707725 3.868831 4.470989 3.743633 2.575961 7.003318 7.728878 7.255165 6.948217 5.472754 6.605088 5.634304 6.895084 0.000000 4.877006 5.908540 6.940108 7.862635 8.831518 4.877473 4.819186 3.655103 3.866124 3.459228 5.614145 2.740151 6.249608 4.862068 2.151417 7.622587 3.388238 1.084513 3.872430 2.142903 8.892406 3.376508 4.259454 4.628229 3.217393 2.725671 4.417120 5.904092 5.236316 2.393221 3.609319 6.577806 6.493333 7.009096 5.064880 4.138641 5.830441 6.747627 7.363922 4.289426 0.000000 2.872404 7.043036 8.309089 8.941750 10.465103 6.641364 7.680441 5.236617 7.173522 5.844883 6.897544 4.683866 9.011103 8.190764 3.417267 9.324957 2.157128 3.870743 1.082812 3.406175 10.191111 2.154290 4.668891 7.983927 7.200123 5.351118 6.185427 6.333138 6.864452 5.509840 4.784001 9.004939 9.741551 9.500850 8.900524 7.497519 8.840768 7.864865 9.303052 2.472658 4.955221 0.000000 2.873491 7.781302 9.111800 9.961155 11.118347 6.973002 7.129847 5.528885 6.037341 5.275077 7.699398 4.693315 8.514703 7.319592 3.416719 9.896243 3.870775 2.158552 3.406914 1.082797 11.087203 2.153064 5.755202 6.643866 5.509885 4.289914 5.966920 7.749598 7.388012 4.697182 5.413310 8.677931 8.792024 9.314680 7.520675 6.586162 8.277888 8.699530 9.657646 4.955700 2.473824 4.298867 0.000000 13.145141 4.637340 3.142207 2.101646 2.153198 5.044506 5.371601 6.532274 6.810908 7.203582 4.499473 7.431967 4.634234 5.747321 8.815997 3.143561 9.221992 9.883448 10.565349 11.155118 1.078875 11.443170 6.682571 7.066253 7.557382 8.282535 7.092612 4.820505 5.190873 7.614665 7.135921 4.788817 5.327619 3.623793 6.420884 6.445978 5.016749 3.686680 4.170551 8.605029 9.829686 11.014725 11.998750 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7145117 0.1033556 0.0984489 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= 624 RedAO= T EigKep= 1.13D-06 NBF= 624 NBsUse= 622 1.00D-06 EigRej= 9.06D-07 NBFU= 622 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= 633 632 632 632 633 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1361.06525763865 -1361.06525764 1 1.355969507345e+03 -7.074458779165e+03 2.413767858673e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830302963 LenY= 2829885001 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= 44. Will process 45 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) 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. 13645 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= 810000000 NMat= 132 IRICut= 330 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 4.56D-14 1.00D-09 XBig12= 2.59D+02 7.26D+00. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 4.56D-14 1.00D-09 XBig12= 4.11D+01 1.03D+00. 132 vectors produced by pass 2 Test12= 4.56D-14 1.00D-09 XBig12= 2.91D-01 5.11D-02. 132 vectors produced by pass 3 Test12= 4.56D-14 1.00D-09 XBig12= 1.79D-03 2.62D-03. 132 vectors produced by pass 4 Test12= 4.56D-14 1.00D-09 XBig12= 5.75D-06 2.37D-04. 111 vectors produced by pass 5 Test12= 4.56D-14 1.00D-09 XBig12= 1.23D-08 1.13D-05. 34 vectors produced by pass 6 Test12= 4.56D-14 1.00D-09 XBig12= 1.64D-11 3.18D-07. 3 vectors produced by pass 7 Test12= 4.56D-14 1.00D-09 XBig12= 1.61D-14 1.25D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 808 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 329.49 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 401.812 -4.572 297.341 12.486 22.497 289.316 402.835 -5.099 307.882 14.304 27.501 305.298 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT113961.300S Tue Jul 27 02:34:00 2021 1.30167896e-01 1.03813594e-01 1.64462954e+00 4.01812154e+02 -4.57202424e+00 2.97340791e+02 1.24860903e+01 2.24972990e+01 2.89316343e+02 -5.6930 -0.0015 -0.0008 0.0003 7.0023 11.2618 19.0713 34.9158 44.6313 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 18.4529 34.8596 44.5858 57.6122 73.1561 93.7536 110.2925 127.7658 146.9337 165.9799 222.6013 258.3750 281.3015 286.6606 300.8542 319.9566 322.3582 346.6725 352.9334 374.6312 390.8485 392.2700 401.3900 414.2693 420.0390 445.0811 488.2125 501.3139 537.5730 552.7696 612.0806 643.3115 646.0500 650.7425 674.4349 687.2417 692.6007 730.0002 769.0612 797.4414 822.4746 836.4395 853.4769 855.9937 885.8427 896.6648 910.2734 912.9147 930.1891 935.3735 951.8275 957.5922 965.2969 986.7758 993.6943 1010.9779 1024.5579 1026.0627 1032.3627 1051.1163 1072.2451 1089.9613 1091.2622 1116.2484 1128.9125 1137.5408 1154.8793 1199.8635 1202.6327 1213.3648 1217.6155 1222.4945 1228.3652 1236.7482 1239.8809 1277.7703 1290.4823 1300.9220 1319.4994 1327.1993 1334.1536 1339.6399 1344.6427 1353.3828 1369.5735 1380.8641 1389.1701 1403.6474 1419.7514 1423.7751 1434.4224 1480.1207 1483.5063 1486.0543 1488.5981 1489.0283 1491.3860 1497.0841 1501.7252 1509.1152 1514.8486 1539.8350 1611.4411 1626.7295 3024.8919 3033.6782 3039.3001 3047.3170 3052.4625 3058.9961 3072.7820 3080.0951 3083.2427 3093.1705 3095.0530 3104.8344 3106.4003 3118.9755 3164.7372 3169.2850 3173.5827 3199.3481 3200.4297 3263.0809 3278.1436 3634.7652 5.2484 5.5721 4.9154 3.6611 4.6587 4.1656 6.1535 3.7226 5.9047 4.6715 5.2210 4.0544 1.9682 3.1764 1.4368 4.7133 1.8432 3.0988 2.2255 2.7009 2.5667 2.5781 2.3555 4.5716 2.9345 2.1612 1.9951 2.4515 1.8951 2.2827 3.4015 5.0847 4.3529 3.9722 3.3281 3.5565 4.0594 3.8548 4.0206 1.7832 2.6296 1.2508 2.3945 2.3861 2.4880 1.4127 1.4889 1.9845 6.7726 1.8801 2.2038 1.4985 1.3788 1.3640 2.2460 2.3527 2.0412 3.0394 2.8439 2.0515 2.0964 2.8054 2.6651 1.9703 1.5345 2.0074 1.5656 2.0329 1.1265 1.7181 2.1101 2.3658 2.7538 1.7193 2.0604 1.9968 2.0345 1.7262 2.1235 1.8532 1.6495 1.5072 1.4599 1.5884 1.4031 1.8372 1.3511 1.2442 1.4133 1.2910 2.2736 1.0693 1.0888 1.4705 1.4639 1.1881 1.1638 1.1047 1.0687 1.0570 2.2891 3.2078 6.4658 5.7918 1.0367 1.0500 1.0508 1.0717 1.0646 1.0751 1.1003 1.0682 1.1015 1.1038 1.0995 1.1000 1.1009 1.1008 1.0982 1.0899 1.0900 1.0941 1.0948 1.0966 1.0993 1.0678 0.0011 0.0040 0.0058 0.0072 0.0147 0.0216 0.0441 0.0358 0.0751 0.0758 0.1524 0.1595 0.0918 0.1538 0.0766 0.2843 0.1128 0.2194 0.1633 0.2233 0.2310 0.2337 0.2236 0.4623 0.3050 0.2523 0.2802 0.3630 0.3227 0.4109 0.7508 1.2398 1.0704 0.9911 0.8919 0.9897 1.1473 1.2103 1.4011 0.6681 1.0480 0.5156 1.0276 1.0301 1.1503 0.6692 0.7269 0.9745 3.4526 0.9692 1.1763 0.8096 0.7570 0.7825 1.3067 1.4168 1.2624 1.8854 1.7858 1.3354 1.4201 1.9636 1.8699 1.4464 1.1522 1.5305 1.2302 1.7243 0.9599 1.4904 1.8432 2.0832 2.4481 1.5494 1.8662 1.9209 1.9963 1.7213 2.1784 1.9233 1.7299 1.5937 1.5552 1.7142 1.5506 2.0640 1.5362 1.4443 1.6785 1.5419 2.7563 1.3802 1.4118 1.9133 1.9113 1.5520 1.5251 1.4588 1.4200 1.4184 3.0949 4.4814 9.8924 9.0301 5.5888 5.6937 5.7189 5.8635 5.8445 5.9271 6.1210 5.9707 6.1696 6.2222 6.2055 6.2474 6.2589 6.3094 6.4807 6.4502 6.4678 6.5982 6.6072 6.8794 6.9599 8.3116 0.6451 0.6412 1.2346 0.6244 1.0047 0.3495 1.0896 0.0912 2.1974 4.5516 0.7113 0.3358 1.1027 4.8190 0.2961 1.4829 4.8283 5.9091 5.2723 6.0978 1.3998 6.9528 0.3359 21.9273 0.2921 7.7065 43.4960 42.1619 157.3014 31.5931 19.5829 3.1741 9.9748 1.2836 52.0688 34.8402 17.6530 14.9654 6.7982 31.8168 23.2712 0.1015 62.8910 10.4725 9.3106 29.9739 11.6115 29.9534 9.6500 11.4496 2.0272 0.3728 0.6712 0.0309 22.9478 56.8593 24.6248 40.3888 43.9546 20.8378 25.2117 11.9933 54.1565 10.5253 17.5675 107.0430 3.9993 24.5185 0.1868 4.9770 8.0637 8.7844 8.7345 12.4173 36.5742 7.6420 41.9827 29.5394 1.9888 9.4771 9.0963 5.1820 1.5654 3.3229 43.0942 92.0696 1.8377 6.0185 31.0088 26.2178 2.4687 8.5526 2.4886 13.8999 14.7905 20.3604 1.9036 11.3429 7.0359 11.6127 113.3497 117.2093 2.4680 2.3109 43.7270 14.7923 100.9053 34.3505 49.5984 38.5700 47.2776 24.9215 47.2392 81.7991 82.5136 21.4761 65.1176 56.6987 3.4985 11.3765 11.3372 4.5077 0.4731 1.0317 5.9993 500.1146 -0.01 0.16 0.04 0.04 -0.06 -0.02 0.05 0.03 0.03 0.08 0.07 0.04 0.04 0.10 0.07 0.01 -0.06 -0.02 -0.06 -0.03 -0.03 0.01 -0.12 -0.05 -0.12 -0.10 0.00 -0.05 -0.13 -0.04 0.05 -0.02 -0.00 0.02 -0.18 -0.06 -0.11 0.04 -0.06 -0.02 -0.01 -0.03 0.01 -0.10 -0.03 0.03 0.05 0.04 -0.05 -0.01 -0.13 0.06 -0.11 0.09 -0.06 0.07 -0.11 0.05 -0.03 0.12 0.07 0.11 0.07 -0.01 0.06 0.01 0.05 -0.13 -0.06 -0.17 -0.05 0.05 -0.15 -0.17 0.01 -0.07 -0.18 -0.07 -0.02 -0.11 -0.03 0.09 -0.05 0.00 0.03 -0.02 -0.01 0.06 -0.24 -0.01 -0.01 -0.22 -0.13 -0.14 0.04 -0.06 -0.15 0.05 -0.06 -0.07 0.09 -0.09 -0.07 -0.00 -0.04 0.02 -0.05 -0.01 0.02 0.05 -0.05 0.05 -0.01 0.00 0.01 0.03 0.04 -0.09 -0.01 -0.23 0.11 -0.18 0.17 -0.11 0.14 -0.19 0.09 -0.03 0.21 0.08 0.15 0.08 -0.04 -0.11 0.15 0.06 0.02 -0.03 -0.03 -0.01 0.03 0.01 -0.03 0.06 -0.06 -0.09 0.11 0.02 0.04 -0.04 0.04 0.03 -0.04 0.02 0.06 -0.08 0.06 0.05 -0.07 0.05 0.07 -0.07 -0.03 0.03 -0.02 -0.00 0.08 -0.09 0.06 0.00 -0.02 0.01 0.03 -0.03 -0.00 0.06 -0.10 -0.07 -0.05 0.06 0.03 0.13 -0.24 -0.04 -0.04 0.08 0.02 0.09 -0.18 -0.05 -0.09 0.15 -0.01 -0.08 0.10 -0.02 -0.03 0.03 0.03 0.07 -0.08 0.09 0.04 -0.07 0.06 0.08 -0.08 0.06 0.08 -0.08 0.06 0.07 -0.07 -0.04 0.04 -0.02 -0.06 0.04 -0.03 -0.02 0.08 -0.09 -0.01 0.08 -0.07 0.09 -0.00 -0.02 0.07 -0.00 -0.01 0.04 -0.02 0.00 0.02 0.03 -0.04 -0.02 0.06 -0.05 -0.01 0.01 -0.01 0.05 0.01 -0.00 -0.11 -0.04 0.05 0.06 0.21 -0.39 -0.06 -0.09 0.19 0.04 0.13 -0.29 -0.08 -0.17 0.31 0.02 -0.11 0.13 -0.05 -0.00 0.15 0.08 0.07 -0.04 0.01 -0.01 -0.02 0.07 0.10 0.01 -0.03 -0.03 0.09 0.02 0.00 -0.05 -0.01 -0.02 0.03 0.02 0.00 -0.10 -0.00 -0.01 0.03 0.04 0.02 -0.06 0.00 -0.03 -0.09 0.00 -0.04 -0.13 0.01 0.02 0.09 -0.05 -0.09 0.03 -0.00 -0.01 -0.11 -0.05 -0.08 0.02 -0.06 -0.07 0.04 0.05 0.07 -0.22 -0.07 -0.07 0.12 0.04 0.08 -0.16 0.05 0.08 0.08 -0.02 0.01 0.02 0.04 0.03 -0.14 0.01 0.02 0.09 -0.04 -0.07 0.02 0.03 0.01 -0.10 0.10 0.06 -0.05 0.04 -0.01 -0.15 -0.04 -0.08 -0.10 0.01 -0.07 -0.10 -0.01 -0.06 -0.16 0.05 0.07 0.10 -0.02 0.01 0.14 0.01 0.03 0.10 -0.07 -0.10 0.08 -0.06 -0.13 -0.01 -0.05 -0.09 0.03 0.08 0.09 -0.01 -0.11 -0.16 0.01 -0.09 -0.13 0.13 0.09 0.12 -0.35 -0.11 -0.12 0.25 0.07 0.14 -0.23 0.09 0.15 0.13 -0.03 0.00 0.03 0.01 -0.02 0.02 0.02 -0.02 -0.01 -0.01 -0.04 -0.03 0.05 0.18 -0.07 0.01 -0.05 0.03 0.01 -0.07 0.04 0.01 -0.03 0.01 0.09 -0.02 -0.12 0.03 -0.05 -0.04 0.02 -0.05 0.01 -0.03 0.03 0.01 0.12 -0.14 0.18 -0.16 -0.05 0.07 -0.02 0.03 -0.02 0.06 0.12 -0.04 -0.02 0.04 -0.04 -0.03 0.01 0.01 -0.02 0.03 -0.03 -0.03 0.01 0.02 0.01 0.08 -0.07 -0.03 0.02 -0.00 0.01 -0.05 0.03 0.17 -0.12 -0.24 0.09 0.15 -0.18 0.05 -0.01 -0.02 -0.01 -0.10 -0.06 0.03 -0.06 0.00 0.02 -0.07 0.01 -0.05 0.07 -0.03 -0.04 0.05 0.06 0.26 -0.19 0.16 0.08 -0.12 0.16 0.08 -0.15 0.33 -0.16 -0.05 0.06 -0.24 -0.01 -0.02 -0.22 -0.08 0.18 0.00 -0.05 0.02 0.09 0.16 -0.03 -0.02 0.05 -0.06 -0.03 0.01 0.02 -0.02 0.04 -0.05 -0.03 -0.00 0.04 -0.01 0.10 -0.09 0.02 -0.01 -0.05 -0.09 -0.06 -0.06 -0.03 -0.03 -0.03 0.04 0.24 0.01 -0.06 0.02 0.09 -0.03 -0.05 -0.04 0.04 -0.07 -0.06 -0.03 0.00 0.03 0.08 -0.02 -0.06 -0.00 0.01 0.02 -0.03 -0.07 -0.08 -0.00 0.06 0.06 0.06 -0.11 -0.06 0.05 -0.08 -0.06 -0.00 0.04 0.07 -0.09 -0.16 0.02 0.03 0.03 0.05 -0.03 0.01 0.09 0.03 0.02 0.03 -0.02 -0.01 0.06 0.02 0.26 0.08 0.01 0.00 0.02 -0.09 0.00 0.05 0.11 -0.06 -0.11 0.14 0.06 -0.05 0.02 0.05 0.08 -0.06 -0.02 0.00 -0.01 -0.06 -0.13 -0.06 -0.12 -0.09 0.00 0.11 0.02 0.01 0.09 0.10 0.09 -0.17 -0.07 0.04 -0.08 -0.11 0.06 -0.09 0.00 0.10 -0.09 -0.05 0.03 -0.05 -0.05 0.03 -0.13 -0.06 -0.07 0.00 -0.08 -0.16 -0.36 0.00 0.04 0.05 0.05 -0.05 0.01 0.11 0.06 0.02 -0.00 -0.04 -0.02 0.06 0.06 0.45 0.12 -0.06 -0.05 0.04 -0.00 -0.09 0.04 -0.01 -0.05 0.03 -0.03 -0.04 0.01 0.02 0.18 -0.03 0.01 -0.05 0.04 0.07 -0.05 0.03 0.01 0.01 0.02 0.04 -0.05 0.18 0.07 0.04 0.06 -0.01 -0.06 0.05 -0.04 0.01 -0.00 -0.01 -0.04 -0.12 0.22 -0.06 0.00 -0.04 0.05 -0.06 0.03 0.08 0.00 -0.03 0.05 -0.07 -0.04 0.05 -0.08 -0.03 0.03 -0.06 -0.05 0.04 -0.07 -0.02 0.10 -0.03 -0.04 0.02 -0.05 -0.01 0.04 -0.00 -0.00 0.06 0.33 0.02 -0.22 0.24 0.07 0.06 0.00 0.16 0.08 0.08 -0.02 -0.06 0.05 -0.00 -0.05 0.05 -0.03 -0.01 0.02 -0.08 -0.00 -0.01 -0.15 0.01 -0.10 0.06 -0.06 -0.10 0.01 -0.06 -0.27 0.19 -0.06 0.01 0.30 -0.12 0.07 0.28 -0.00 -0.09 -0.01 -0.12 0.04 0.06 0.09 0.01 -0.03 0.05 -0.07 -0.05 0.06 -0.08 -0.02 0.03 -0.06 -0.05 0.03 -0.07 -0.04 0.15 -0.05 0.08 0.05 -0.02 -0.00 0.07 -0.08 -0.12 -0.08 -0.03 -0.06 -0.22 0.01 -0.16 0.24 0.10 -0.02 0.02 -0.08 0.02 -0.02 -0.01 -0.01 0.06 -0.07 0.05 0.04 0.03 -0.01 0.10 0.04 -0.11 -0.04 -0.12 0.06 -0.05 -0.06 0.04 -0.04 0.01 0.02 -0.06 -0.01 0.06 -0.07 0.02 -0.18 0.19 0.01 0.04 -0.08 0.05 0.08 -0.07 0.05 0.04 -0.06 0.06 0.08 -0.05 0.06 -0.08 -0.02 0.09 0.07 -0.03 0.05 -0.05 0.12 -0.12 0.07 0.04 0.05 0.08 0.03 0.05 0.00 0.11 0.11 -0.06 0.16 0.03 -0.11 -0.00 -0.19 -0.16 -0.08 -0.14 0.09 -0.10 -0.02 0.09 -0.07 -0.15 0.03 0.05 0.02 0.11 -0.08 0.08 0.01 -0.10 -0.06 -0.03 -0.07 0.02 0.04 -0.12 -0.03 0.04 -0.02 -0.03 -0.01 0.04 -0.08 -0.24 0.34 -0.01 0.03 -0.08 0.05 0.10 -0.07 0.04 0.02 -0.05 0.07 0.09 -0.04 0.06 -0.04 -0.08 0.14 -0.07 0.06 0.00 -0.03 -0.00 0.01 0.01 0.05 0.03 -0.00 0.05 0.02 0.02 -0.03 -0.00 0.01 0.04 0.02 0.09 0.04 -0.04 0.00 0.06 0.04 0.14 0.09 -0.05 -0.01 0.09 0.12 0.01 0.06 0.05 -0.03 -0.12 -0.03 0.14 -0.06 -0.04 0.07 0.09 -0.03 -0.04 -0.13 -0.04 0.03 0.01 0.02 -0.09 -0.12 -0.02 -0.01 -0.11 -0.03 -0.10 -0.08 0.00 -0.01 -0.06 -0.01 0.00 -0.00 -0.00 -0.06 -0.05 -0.00 0.02 0.13 -0.04 0.17 -0.00 -0.19 0.25 0.25 -0.05 0.02 0.12 0.27 -0.17 0.09 0.08 0.00 0.05 0.08 0.03 0.10 0.05 -0.04 -0.22 0.08 -0.01 -0.17 -0.15 0.18 -0.14 -0.06 0.16 -0.04 -0.11 0.11 -0.08 0.04 0.20 0.10 -0.09 -0.00 0.23 -0.03 -0.00 -0.02 0.02 -0.03 0.01 -0.01 0.05 -0.00 0.02 -0.12 -0.14 -0.02 0.02 -0.12 -0.03 -0.13 -0.07 0.02 0.02 -0.04 -0.01 -0.01 -0.01 -0.01 -0.11 0.01 -0.11 0.02 0.06 -0.07 0.12 0.05 -0.06 0.20 -0.09 -0.02 0.08 -0.00 0.08 0.03 -0.00 -0.05 0.03 -0.02 -0.01 0.00 0.01 -0.03 0.02 -0.02 0.04 0.05 0.02 -0.04 0.10 -0.02 -0.13 -0.05 0.09 -0.02 0.01 0.03 -0.01 0.05 -0.09 -0.02 -0.08 0.06 0.03 0.06 0.09 -0.01 -0.09 0.02 0.10 -0.13 0.00 0.09 -0.10 -0.03 0.13 -0.14 -0.04 0.13 0.17 -0.12 0.07 -0.13 -0.04 0.10 -0.01 0.01 -0.02 0.01 0.03 0.11 -0.01 -0.10 0.05 0.04 0.03 -0.07 0.10 0.04 -0.02 0.18 -0.01 -0.21 0.06 -0.12 -0.14 -0.05 0.14 -0.07 -0.04 0.12 0.05 -0.03 0.11 0.00 0.02 -0.01 0.06 0.01 0.01 -0.09 -0.06 -0.10 0.05 0.11 -0.21 -0.03 0.11 0.00 -0.06 0.03 0.12 -0.10 -0.01 0.18 -0.03 -0.08 0.03 0.09 -0.16 0.02 0.09 -0.07 -0.04 0.14 -0.15 -0.06 0.15 0.22 -0.22 0.13 -0.01 0.05 -0.07 0.17 -0.04 0.06 -0.06 -0.06 0.06 -0.13 0.05 0.01 -0.01 0.01 -0.09 0.04 0.00 0.01 0.02 0.02 0.02 0.05 0.03 -0.12 0.00 -0.00 0.01 0.13 0.02 -0.16 -0.05 0.01 0.10 0.01 0.06 -0.13 0.01 0.04 0.02 0.02 0.04 0.02 -0.00 0.00 -0.05 0.01 -0.08 0.00 -0.02 -0.04 0.04 -0.01 -0.04 0.05 -0.04 -0.08 0.13 -0.03 -0.09 0.14 -0.10 0.10 -0.08 -0.03 -0.07 0.12 0.08 0.01 -0.12 0.01 0.08 0.14 -0.11 -0.14 0.00 0.10 0.03 -0.33 0.31 0.03 -0.13 -0.12 0.01 0.17 -0.03 0.10 0.11 0.01 0.08 -0.15 0.03 0.08 -0.10 -0.01 0.06 0.02 0.01 0.03 0.04 0.01 0.04 -0.00 0.03 0.04 0.01 0.02 0.05 0.03 0.02 0.03 0.02 0.15 -0.17 0.16 0.08 -0.16 0.03 -0.02 -0.03 0.02 -0.01 -0.04 0.03 -0.04 -0.09 0.15 -0.03 -0.10 0.18 -0.15 0.20 -0.14 0.06 0.01 -0.00 -0.09 -0.14 -0.06 0.01 0.29 0.08 -0.05 0.15 0.05 0.03 -0.10 -0.03 -0.08 -0.04 -0.06 -0.03 -0.09 -0.01 -0.06 0.05 -0.09 0.01 -0.01 0.09 0.01 0.10 -0.02 -0.01 0.08 0.06 -0.00 0.03 -0.08 -0.01 -0.14 0.02 -0.05 -0.19 0.00 0.01 0.01 -0.03 0.06 0.15 0.04 0.03 -0.00 -0.01 0.03 0.01 -0.00 0.03 -0.01 0.02 0.03 -0.01 0.03 -0.04 -0.09 -0.02 0.04 -0.01 0.03 -0.12 0.11 -0.12 0.04 0.05 0.21 0.00 -0.11 0.12 0.02 0.13 -0.05 0.07 0.16 -0.00 0.14 -0.03 0.13 -0.04 0.12 0.05 0.02 0.00 -0.07 0.02 0.02 -0.13 0.01 -0.15 0.01 0.02 -0.14 0.00 -0.03 -0.15 0.04 -0.15 -0.21 0.08 -0.01 -0.30 -0.04 -0.00 -0.11 -0.00 -0.08 -0.13 -0.05 0.12 0.21 0.06 0.04 0.01 -0.02 0.04 0.01 -0.01 0.02 -0.01 0.03 0.02 -0.02 0.03 -0.08 -0.26 -0.06 -0.01 0.15 0.08 -0.07 -0.01 0.02 0.01 0.00 -0.02 0.02 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.03 -0.00 0.00 0.01 -0.01 0.03 0.06 -0.00 0.00 -0.00 0.05 0.00 -0.06 0.00 -0.01 -0.01 -0.02 0.20 0.09 -0.02 0.01 -0.01 0.01 -0.02 0.01 0.00 -0.04 -0.01 -0.01 0.00 -0.01 0.07 -0.08 -0.03 -0.05 -0.09 -0.05 0.06 -0.14 -0.08 -0.01 -0.15 -0.08 0.02 -0.01 0.01 0.03 -0.15 -0.08 -0.03 -0.03 0.13 0.01 0.03 0.04 -0.05 -0.03 -0.01 0.04 0.03 -0.16 0.15 -0.06 -0.04 0.00 0.00 -0.03 0.02 -0.05 -0.00 -0.21 0.43 -0.08 0.11 0.35 0.35 -0.06 0.05 0.00 0.01 -0.01 0.02 -0.02 -0.00 -0.07 -0.12 -0.02 0.06 0.07 -0.15 0.00 0.08 0.09 -0.02 -0.07 0.03 -0.02 -0.03 0.01 -0.02 0.12 -0.05 -0.02 -0.10 -0.07 -0.04 0.11 -0.16 -0.09 -0.05 -0.18 -0.10 0.03 -0.01 0.02 0.03 0.00 -0.00 -0.05 -0.03 0.03 0.01 0.01 -0.07 0.07 -0.00 -0.05 -0.01 -0.00 0.02 -0.04 -0.02 0.03 -0.03 -0.01 0.05 -0.02 0.01 -0.02 -0.04 -0.01 0.08 0.03 0.02 -0.03 0.00 -0.02 -0.02 -0.01 0.00 -0.03 -0.02 -0.11 -0.01 -0.01 0.15 0.05 -0.00 0.01 -0.03 -0.03 0.01 -0.04 0.01 0.00 -0.02 0.01 0.01 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.02 0.05 -0.01 0.02 0.01 -0.01 0.03 -0.02 0.02 -0.03 -0.05 0.06 0.19 -0.09 -0.13 0.09 0.02 0.03 -0.13 0.15 0.03 -0.01 -0.00 -0.02 -0.02 0.05 -0.04 -0.01 -0.00 -0.02 -0.01 -0.01 -0.01 -0.06 0.03 -0.34 -0.04 -0.04 -0.02 -0.21 -0.02 -0.07 0.17 0.34 0.18 -0.14 -0.18 0.53 0.13 -0.19 -0.12 0.15 -0.04 0.03 -0.00 -0.08 0.02 -0.06 0.01 0.01 -0.03 0.02 0.01 -0.02 -0.00 -0.01 0.02 0.00 -0.01 0.02 0.08 -0.02 0.06 -0.02 -0.02 0.00 0.01 0.15 0.01 -0.04 0.13 -0.02 -0.05 0.09 -0.02 -0.07 -0.05 -0.00 0.00 -0.00 0.03 0.03 -0.03 0.04 0.02 -0.08 0.02 0.01 -0.09 -0.02 0.07 -0.12 -0.09 -0.01 0.01 -0.04 0.01 -0.04 0.03 0.07 -0.11 0.02 0.12 0.10 0.04 0.00 -0.03 0.04 -0.07 0.07 -0.01 -0.02 -0.01 0.03 0.00 -0.02 0.03 -0.01 0.02 -0.02 0.00 0.02 -0.01 -0.05 -0.03 -0.00 -0.01 0.03 -0.03 0.06 -0.13 0.05 -0.01 -0.06 0.03 -0.07 -0.15 -0.04 0.06 -0.09 -0.20 0.17 -0.18 -0.07 0.05 -0.00 -0.08 -0.04 -0.03 -0.05 0.04 -0.03 0.02 -0.00 -0.04 0.04 0.04 0.06 0.05 0.24 -0.21 0.15 -0.01 -0.25 -0.11 -0.13 0.15 -0.03 0.29 -0.10 0.13 0.29 0.37 -0.01 -0.01 0.09 -0.01 -0.09 0.10 -0.02 -0.03 -0.03 0.04 0.00 -0.02 0.04 -0.01 0.03 -0.03 0.01 0.03 -0.01 -0.05 -0.11 0.01 -0.02 -0.00 0.00 0.00 -0.04 -0.02 -0.02 0.04 -0.01 -0.02 0.01 -0.01 -0.04 -0.00 -0.00 0.02 -0.01 -0.02 0.04 -0.00 -0.00 0.02 -0.02 0.01 0.02 -0.03 0.00 0.03 -0.03 -0.01 -0.01 0.00 -0.02 0.01 -0.00 0.02 0.02 0.10 0.05 0.06 -0.03 -0.01 0.00 -0.01 0.02 -0.04 0.04 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.03 -0.02 -0.00 -0.01 0.01 -0.02 0.02 -0.03 0.02 -0.01 -0.02 0.01 0.01 -0.05 0.01 0.03 -0.02 -0.03 0.05 -0.04 -0.00 0.00 -0.00 -0.02 -0.02 -0.00 -0.02 0.01 0.01 0.01 0.01 0.00 0.03 0.23 -0.34 -0.02 -0.36 0.34 -0.27 0.16 0.41 0.49 0.09 -0.03 0.00 0.05 -0.01 0.01 0.05 -0.05 -0.02 0.01 -0.02 -0.02 -0.05 0.06 -0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.02 0.01 0.01 -0.01 0.00 0.00 -0.01 -0.02 -0.06 0.00 0.06 0.04 -0.03 -0.10 0.17 -0.03 0.00 -0.00 0.08 -0.06 -0.00 0.06 0.03 0.00 -0.02 0.01 -0.01 0.01 0.01 -0.03 0.01 0.02 -0.09 0.04 -0.02 -0.07 -0.02 -0.08 -0.11 0.08 0.01 -0.03 -0.02 -0.03 0.01 -0.01 -0.00 -0.02 -0.01 0.08 -0.01 -0.00 0.00 0.10 -0.19 0.05 -0.00 0.06 0.03 0.08 -0.16 0.01 0.09 -0.15 0.00 -0.07 0.10 -0.02 -0.05 0.08 -0.04 -0.00 -0.01 -0.00 -0.12 0.20 0.06 -0.11 0.06 -0.03 -0.12 -0.13 0.04 0.03 -0.03 -0.07 -0.15 0.23 -0.24 -0.07 0.05 0.07 -0.02 -0.08 -0.09 -0.06 -0.04 -0.06 0.04 -0.04 -0.15 0.01 0.09 0.06 -0.17 -0.03 -0.11 0.06 -0.12 0.04 0.08 0.14 0.17 -0.01 -0.03 0.09 0.05 0.06 0.07 -0.06 -0.05 -0.11 0.19 -0.13 0.10 -0.00 0.07 0.07 0.14 -0.24 0.02 0.13 -0.23 -0.01 -0.09 0.15 -0.04 -0.07 0.09 -0.08 -0.01 -0.05 -0.02 0.00 0.01 0.03 0.12 -0.05 0.00 0.01 0.08 -0.05 -0.00 0.06 0.03 0.01 -0.02 0.01 0.01 -0.04 0.00 -0.02 -0.02 0.00 -0.02 -0.02 -0.01 -0.02 0.01 0.01 -0.02 -0.03 0.00 0.00 -0.02 0.01 0.02 0.01 -0.00 -0.02 -0.03 0.01 -0.06 -0.03 0.00 -0.01 0.06 0.05 0.01 0.05 0.01 -0.01 0.05 -0.02 -0.02 0.04 0.02 0.01 -0.03 -0.01 -0.00 -0.03 -0.03 -0.00 -0.01 0.00 0.01 -0.07 -0.01 -0.03 -0.00 -0.03 0.01 0.06 -0.03 -0.08 0.03 0.00 -0.02 -0.06 0.05 -0.01 -0.02 0.05 -0.00 -0.06 -0.09 -0.00 -0.05 0.02 0.05 -0.02 0.04 0.04 0.05 -0.02 0.02 -0.02 0.03 -0.04 -0.00 -0.01 -0.04 -0.06 0.54 -0.09 -0.08 -0.23 0.39 -0.01 -0.26 -0.51 0.02 0.00 0.02 -0.04 0.10 -0.00 0.07 0.01 -0.02 0.08 -0.04 -0.02 0.07 0.04 0.01 -0.05 -0.01 -0.01 -0.04 -0.06 -0.01 -0.05 -0.02 0.03 -0.00 0.21 -0.09 0.06 -0.03 0.11 -0.08 0.01 0.06 -0.06 -0.08 -0.02 0.01 0.03 -0.02 -0.00 0.01 -0.02 0.00 0.03 -0.05 0.01 0.01 -0.03 -0.00 -0.07 -0.05 0.12 -0.02 0.00 -0.01 0.02 0.00 0.03 -0.01 0.02 -0.01 -0.00 -0.03 0.00 0.01 0.06 -0.01 -0.09 0.07 -0.06 0.04 0.05 -0.02 -0.03 0.04 -0.03 0.03 -0.03 0.01 -0.03 -0.04 -0.01 -0.01 -0.03 0.00 -0.01 -0.07 0.02 0.02 -0.05 0.02 0.01 -0.10 -0.12 0.09 0.10 -0.01 -0.06 -0.09 0.29 -0.25 0.01 0.08 0.00 -0.01 -0.01 0.02 -0.02 -0.00 0.03 0.04 -0.01 -0.04 0.01 0.10 -0.12 0.23 0.02 0.08 -0.08 0.15 -0.03 -0.06 -0.23 0.28 -0.04 -0.05 -0.14 0.23 0.01 -0.15 -0.26 0.05 0.19 -0.20 0.19 -0.15 0.09 -0.07 0.07 0.08 -0.03 -0.07 0.07 -0.05 0.08 -0.06 0.02 -0.05 -0.05 -0.03 0.02 -0.10 0.05 -0.02 0.02 0.02 0.13 0.06 -0.00 0.01 -0.03 0.03 0.00 -0.01 0.02 0.03 -0.00 -0.01 -0.01 -0.00 -0.04 -0.05 -0.02 -0.00 -0.03 0.00 -0.08 -0.06 -0.00 0.03 -0.11 0.03 0.05 -0.00 -0.01 -0.01 0.02 0.02 -0.04 -0.01 -0.13 -0.01 0.01 0.05 -0.01 0.00 0.04 0.04 0.04 -0.03 0.01 0.03 0.02 0.05 -0.04 0.01 0.03 0.04 -0.02 -0.02 -0.03 -0.03 -0.03 0.01 0.01 -0.01 0.01 -0.02 -0.06 -0.04 0.03 -0.10 -0.06 -0.00 0.04 -0.02 -0.01 0.05 -0.11 -0.02 0.21 -0.25 0.15 0.03 0.01 -0.01 -0.01 -0.02 0.01 -0.02 0.08 0.04 -0.08 0.01 0.03 -0.03 0.14 -0.45 -0.06 -0.09 -0.00 -0.27 -0.02 -0.06 0.30 -0.25 0.08 -0.02 0.17 -0.17 0.04 0.17 0.29 -0.06 0.09 -0.10 0.08 0.06 -0.03 0.02 0.06 0.03 0.08 -0.08 0.02 0.05 0.08 -0.04 -0.03 -0.06 -0.05 -0.05 -0.00 0.04 -0.03 0.05 -0.02 0.00 0.07 0.09 0.13 0.00 0.04 -0.01 0.01 0.02 -0.01 0.00 -0.01 -0.00 -0.03 -0.00 0.09 -0.02 -0.02 0.06 -0.02 0.03 0.01 0.07 0.04 -0.08 0.02 0.03 -0.02 -0.01 -0.07 -0.02 -0.05 0.04 -0.01 -0.13 -0.03 -0.13 0.01 -0.08 0.05 -0.03 -0.06 -0.02 -0.00 0.03 -0.01 -0.05 -0.05 -0.02 0.02 -0.04 0.00 -0.05 0.02 -0.00 0.02 0.04 0.02 0.01 -0.02 -0.00 0.01 0.06 0.01 -0.01 0.03 0.00 0.20 -0.09 -0.23 0.08 0.26 -0.16 0.04 0.07 -0.02 0.00 -0.01 -0.03 0.07 -0.03 -0.18 -0.05 -0.25 -0.03 -0.12 0.10 -0.05 0.02 0.09 0.06 -0.26 -0.27 -0.14 -0.22 0.10 -0.36 -0.02 0.12 -0.08 0.03 -0.12 0.14 0.02 -0.13 0.03 0.01 -0.12 -0.02 0.06 0.02 0.17 -0.00 0.03 -0.01 -0.08 -0.07 -0.02 0.07 -0.07 0.01 -0.11 0.05 0.01 0.05 0.06 0.03 0.01 -0.05 -0.00 -0.05 -0.03 -0.03 0.04 0.02 -0.02 -0.01 -0.01 -0.02 0.00 -0.01 -0.02 -0.02 0.01 0.01 0.03 0.04 -0.02 0.00 0.03 -0.03 0.04 -0.01 0.04 -0.06 -0.01 0.07 -0.03 -0.03 0.04 0.01 0.09 0.03 0.04 0.11 0.07 0.05 -0.08 -0.04 -0.05 -0.04 -0.03 0.05 -0.09 -0.04 -0.03 -0.01 -0.01 -0.02 -0.05 -0.07 0.09 -0.07 -0.04 -0.05 0.05 0.04 0.07 0.05 0.02 -0.00 0.01 0.01 -0.03 0.07 0.07 0.04 -0.05 0.10 -0.15 0.07 0.14 -0.05 -0.14 0.11 -0.04 -0.08 0.05 -0.03 0.00 0.04 -0.09 0.07 0.15 0.07 0.20 0.05 -0.18 0.34 -0.10 0.16 0.27 0.35 0.11 -0.19 -0.05 0.10 -0.05 -0.13 -0.01 -0.12 0.08 -0.08 -0.06 0.02 -0.08 -0.07 -0.10 -0.06 -0.05 -0.01 0.02 -0.09 -0.01 -0.05 -0.01 -0.02 -0.10 -0.08 -0.16 0.16 -0.10 -0.05 -0.12 0.08 0.05 0.17 0.13 0.03 0.01 0.02 0.02 0.07 -0.01 0.01 -0.00 -0.01 0.04 0.01 -0.02 -0.04 0.05 -0.02 -0.03 0.00 0.02 0.02 -0.05 0.02 0.01 -0.05 0.01 -0.00 -0.06 -0.01 -0.06 -0.06 0.00 -0.06 -0.10 -0.01 -0.05 -0.01 0.07 0.08 -0.06 0.04 -0.05 0.02 -0.00 0.13 0.18 -0.06 -0.03 -0.05 -0.03 -0.01 -0.01 -0.01 -0.03 -0.04 -0.04 0.00 -0.02 -0.02 0.02 -0.03 0.00 -0.01 -0.01 0.03 0.00 0.04 0.00 0.01 0.02 0.03 -0.02 -0.03 -0.03 -0.05 -0.04 -0.04 -0.12 -0.05 0.07 -0.08 -0.09 -0.03 0.03 -0.17 0.01 -0.06 -0.12 0.03 0.25 0.12 0.22 0.12 -0.07 0.13 -0.12 -0.01 0.10 0.04 0.16 0.11 0.12 0.04 -0.07 0.25 -0.03 -0.07 0.16 0.43 -0.09 -0.02 0.23 0.05 0.14 0.17 -0.19 -0.25 0.03 0.13 0.05 -0.04 -0.01 -0.04 -0.04 -0.05 0.02 0.01 -0.04 0.03 -0.08 0.02 -0.01 -0.02 0.02 0.01 0.06 0.01 0.04 0.02 -0.02 -0.00 0.01 -0.07 -0.05 0.00 0.02 0.05 -0.03 0.02 0.04 0.03 -0.02 -0.02 -0.01 -0.07 -0.04 0.01 -0.04 0.01 -0.02 -0.01 -0.05 0.02 -0.03 0.02 -0.05 0.02 0.05 -0.01 -0.12 -0.09 -0.01 0.10 -0.03 -0.00 0.07 0.07 0.03 0.14 0.03 -0.00 -0.05 -0.02 0.04 0.01 0.03 -0.03 -0.05 -0.01 0.02 -0.05 0.01 -0.04 0.02 0.01 0.02 0.04 0.00 -0.02 -0.01 -0.02 0.00 0.06 -0.01 -0.06 0.01 -0.05 0.04 -0.05 -0.01 0.06 0.02 0.02 -0.03 0.01 0.20 -0.18 0.11 0.03 0.14 -0.10 -0.26 -0.14 -0.27 -0.12 -0.11 0.29 -0.17 0.08 0.22 0.19 -0.02 0.24 0.09 -0.03 0.00 0.23 0.01 0.06 -0.05 0.02 0.20 -0.14 0.04 0.21 0.11 0.04 0.19 0.09 0.00 -0.09 -0.02 0.08 0.01 0.04 -0.07 -0.07 -0.03 0.06 -0.08 0.03 -0.09 0.04 0.03 0.06 0.06 0.02 -0.05 -0.02 -0.05 0.20 0.01 0.04 0.10 0.02 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.04 0.02 -0.02 0.08 0.03 -0.09 -0.01 -0.02 0.07 -0.02 -0.04 0.08 0.03 -0.03 0.04 0.01 0.02 -0.04 -0.17 -0.02 0.04 0.13 0.02 -0.05 -0.10 0.01 -0.09 -0.16 -0.00 -0.03 -0.01 0.00 0.00 -0.11 -0.06 0.02 -0.12 0.03 -0.00 -0.08 -0.02 -0.05 -0.10 0.02 0.03 -0.01 0.00 -0.00 0.02 0.01 -0.02 0.01 -0.02 0.07 -0.18 0.11 0.25 -0.02 -0.29 0.18 0.02 -0.01 -0.04 0.11 -0.05 0.06 0.02 0.04 -0.09 -0.05 -0.02 -0.05 -0.23 -0.02 0.06 -0.20 -0.02 0.08 0.21 -0.00 -0.07 0.13 0.03 -0.06 0.10 0.00 0.02 -0.23 0.01 -0.04 -0.18 -0.04 -0.26 -0.13 0.05 0.07 0.05 -0.21 0.06 -0.01 0.01 -0.00 -0.08 -0.06 0.10 -0.08 0.01 -0.00 -0.15 0.01 -0.06 -0.17 -0.05 0.05 -0.01 0.00 -0.01 0.02 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.01 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.01 0.00 -0.00 0.00 0.02 0.10 -0.18 -0.05 -0.09 0.20 -0.03 -0.10 0.17 0.01 0.09 -0.19 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 0.01 0.02 -0.01 -0.02 0.01 0.01 0.01 -0.04 0.04 -0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.05 0.03 -0.02 -0.04 -0.04 0.02 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.06 0.21 -0.38 -0.08 -0.19 0.41 -0.05 -0.21 0.38 0.03 0.19 -0.42 0.00 0.00 -0.00 0.02 -0.00 0.01 -0.04 0.05 -0.06 -0.00 -0.01 -0.03 0.01 -0.00 -0.03 -0.02 0.00 0.01 0.03 -0.04 -0.03 0.05 -0.08 0.04 0.03 -0.05 -0.06 0.10 -0.09 0.02 0.02 -0.03 0.05 0.02 0.06 0.10 -0.00 0.03 -0.07 -0.05 0.03 -0.05 -0.05 0.02 0.08 -0.01 0.02 -0.03 -0.03 -0.01 -0.02 -0.01 -0.01 0.03 -0.03 -0.01 0.04 -0.01 -0.01 0.00 -0.02 0.00 -0.00 -0.00 0.00 0.01 0.01 0.03 -0.07 0.04 -0.04 -0.08 0.14 -0.13 -0.03 0.13 -0.00 0.00 0.05 -0.02 0.22 -0.12 0.07 0.03 -0.13 -0.05 0.42 0.15 0.39 0.13 -0.01 0.12 -0.16 -0.00 0.08 0.05 -0.19 0.02 -0.03 -0.13 0.06 -0.08 0.06 0.14 -0.16 -0.13 0.06 -0.02 -0.09 0.05 0.04 -0.05 0.08 0.23 0.01 0.26 -0.14 -0.06 0.00 -0.03 -0.01 -0.03 0.09 -0.04 -0.04 0.10 -0.02 -0.03 0.05 -0.04 -0.03 0.03 0.02 0.01 0.03 -0.03 -0.00 0.00 -0.05 -0.02 0.12 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.08 0.04 0.03 -0.05 0.02 -0.00 -0.03 -0.03 -0.03 0.01 -0.04 -0.01 0.00 -0.00 -0.07 0.02 0.01 0.02 -0.07 0.09 0.02 -0.04 -0.03 -0.02 -0.07 0.03 0.04 -0.06 -0.00 0.02 -0.00 0.02 -0.00 0.03 0.02 -0.01 0.03 0.02 -0.01 0.02 0.02 -0.01 0.02 -0.01 -0.01 -0.00 0.02 0.04 -0.08 0.09 -0.02 -0.04 -0.12 0.06 0.11 -0.03 -0.17 0.07 -0.04 -0.06 0.11 -0.14 0.06 -0.01 0.04 -0.01 -0.14 -0.02 -0.24 0.02 0.02 0.03 -0.09 -0.00 0.03 -0.05 0.14 0.04 -0.04 0.10 0.01 -0.02 0.07 0.00 -0.00 -0.05 -0.05 0.02 -0.08 -0.05 -0.16 -0.07 -0.06 -0.03 0.13 0.73 0.06 -0.00 0.02 -0.00 0.01 -0.05 0.13 0.00 -0.05 0.12 0.02 -0.06 0.12 0.01 -0.06 0.12 -0.01 -0.03 -0.01 -0.00 0.00 -0.01 0.04 0.06 0.05 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.05 -0.06 -0.00 0.02 -0.09 -0.06 -0.09 0.03 -0.03 0.05 -0.06 0.01 -0.00 0.06 -0.03 -0.03 -0.05 0.06 -0.01 -0.01 0.04 0.02 0.03 0.00 -0.03 0.02 -0.08 -0.02 -0.07 0.14 0.01 0.00 -0.01 0.01 0.01 -0.03 0.01 0.01 -0.04 0.01 0.02 -0.04 0.01 0.02 -0.04 0.01 -0.01 0.00 -0.02 -0.07 0.15 -0.15 0.05 -0.03 0.06 0.01 0.13 0.06 -0.18 0.05 0.02 0.15 -0.01 0.00 0.05 -0.03 -0.04 -0.11 0.17 0.05 0.05 0.08 0.01 0.00 0.03 0.08 0.01 0.01 0.08 0.12 0.01 -0.13 0.02 0.10 0.09 0.13 0.02 -0.08 0.05 -0.18 -0.04 0.05 -0.08 -0.03 0.07 0.01 0.15 0.49 0.09 0.01 0.01 -0.01 0.04 0.11 -0.24 0.04 0.11 -0.23 0.04 0.13 -0.26 0.05 0.13 -0.25 0.01 -0.01 0.00 0.03 0.00 0.00 0.02 -0.10 -0.06 -0.01 -0.00 0.02 -0.03 -0.00 0.01 -0.00 0.01 -0.01 0.05 0.04 -0.03 -0.02 0.06 0.05 0.06 -0.02 -0.02 -0.03 0.06 0.00 0.02 -0.03 0.01 0.02 0.04 -0.05 0.02 -0.00 0.00 -0.02 -0.04 -0.01 0.01 -0.00 0.08 -0.02 -0.03 0.07 0.00 -0.01 0.01 -0.03 0.01 0.00 -0.04 -0.00 -0.00 -0.03 0.01 -0.03 -0.04 0.01 -0.03 -0.03 0.00 -0.01 -0.03 -0.03 0.06 0.07 -0.02 -0.02 -0.02 0.00 -0.09 -0.04 0.15 -0.03 -0.00 -0.09 -0.01 0.03 -0.00 0.02 0.03 0.08 -0.12 -0.05 -0.01 -0.06 0.02 0.04 -0.04 0.04 0.03 0.07 -0.07 -0.12 -0.02 0.10 -0.03 -0.12 -0.06 -0.10 -0.01 0.03 -0.02 0.13 0.03 -0.03 0.08 0.02 -0.02 0.03 0.24 0.78 -0.08 0.02 -0.01 0.02 -0.03 0.05 -0.09 -0.04 0.05 -0.09 -0.02 0.07 -0.14 -0.03 0.06 -0.15 -0.05 0.01 -0.02 -0.00 -0.00 0.00 0.08 0.00 -0.05 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.04 -0.05 -0.08 -0.06 -0.04 -0.01 0.02 0.09 0.02 0.04 0.01 0.07 0.03 0.04 -0.00 -0.01 0.00 -0.01 -0.02 0.11 -0.10 -0.05 0.06 0.00 0.02 -0.10 0.01 0.04 -0.10 0.01 0.00 0.00 0.01 -0.00 -0.02 0.01 -0.00 -0.02 -0.01 -0.02 0.04 0.00 -0.02 0.04 -0.01 -0.00 -0.00 0.02 0.05 -0.08 -0.13 0.06 0.10 0.09 -0.01 -0.03 0.05 0.10 0.01 0.06 0.08 -0.16 0.23 -0.08 0.06 -0.01 -0.05 0.09 0.01 0.09 0.01 -0.06 -0.08 0.18 -0.08 -0.06 0.05 -0.00 0.01 0.06 -0.17 -0.06 0.13 -0.10 -0.02 0.12 0.01 0.06 -0.22 0.07 0.06 0.03 0.05 0.09 -0.14 0.21 0.52 0.02 0.01 0.01 0.01 -0.02 -0.09 0.12 0.00 -0.08 0.12 -0.04 -0.11 0.22 -0.01 -0.10 0.23 -0.01 0.00 -0.01 -0.03 -0.00 -0.00 0.07 -0.05 -0.05 -0.01 0.01 0.01 0.02 -0.04 0.02 0.04 0.01 -0.01 -0.04 0.05 -0.05 0.09 -0.03 0.06 -0.14 0.08 0.04 -0.00 -0.11 -0.06 -0.13 0.02 -0.12 -0.07 0.08 -0.05 -0.08 -0.01 0.11 0.09 0.03 -0.06 0.03 -0.01 0.19 -0.01 0.00 -0.04 0.03 -0.03 0.00 0.04 -0.02 -0.05 0.03 0.02 -0.03 0.03 -0.02 0.03 0.03 0.00 0.04 0.02 0.01 -0.00 0.05 0.03 -0.04 -0.18 0.01 0.13 -0.02 -0.01 0.10 -0.09 -0.26 -0.05 -0.08 0.17 -0.04 -0.20 -0.09 -0.14 -0.06 0.07 -0.04 -0.10 0.11 -0.06 -0.09 -0.14 0.24 -0.09 -0.09 -0.07 -0.06 -0.01 -0.05 0.08 0.06 -0.13 0.15 0.09 -0.16 -0.01 0.00 0.17 -0.03 0.01 0.13 0.00 -0.01 0.29 0.15 0.25 0.07 0.06 -0.07 0.01 0.05 -0.05 0.05 0.07 -0.05 0.05 -0.01 -0.07 0.16 0.02 -0.06 0.17 0.01 0.03 -0.02 -0.05 -0.02 -0.02 0.02 -0.00 -0.01 -0.01 0.02 0.00 0.01 -0.02 0.00 0.01 0.01 -0.00 -0.06 -0.01 -0.02 -0.00 0.05 0.00 -0.09 -0.09 -0.02 0.01 0.05 0.05 0.04 -0.05 0.07 -0.03 0.02 -0.02 -0.12 0.01 -0.03 0.04 0.02 -0.02 0.00 0.01 0.01 -0.07 0.08 0.03 0.01 -0.02 -0.00 -0.17 0.08 0.03 0.22 0.19 0.14 -0.12 -0.17 -0.11 0.27 -0.08 -0.01 0.01 0.00 -0.00 0.10 -0.08 -0.02 -0.09 -0.03 -0.08 -0.02 -0.05 -0.14 0.07 0.21 0.02 0.03 0.01 -0.14 0.24 -0.06 0.11 -0.02 0.01 -0.00 -0.05 0.04 -0.02 -0.14 0.19 -0.20 -0.11 0.11 0.21 0.06 0.00 -0.02 0.07 0.02 -0.04 0.02 -0.01 0.00 -0.02 -0.01 0.06 -0.01 -0.03 -0.03 -0.00 -0.00 -0.00 0.04 0.06 0.06 0.02 -0.06 0.00 -0.03 0.17 0.08 0.22 0.20 0.12 -0.07 -0.19 -0.14 0.17 -0.14 -0.08 0.01 0.01 -0.01 -0.07 0.01 -0.01 0.02 0.00 -0.01 -0.01 0.02 0.00 0.01 -0.02 0.00 0.01 0.01 -0.00 -0.07 -0.02 -0.03 -0.01 0.07 0.00 -0.10 -0.13 -0.05 0.01 0.08 0.06 0.08 -0.07 0.10 -0.03 0.02 -0.01 -0.17 -0.04 -0.07 0.05 0.03 -0.02 0.00 0.01 -0.00 -0.08 -0.05 -0.03 0.01 -0.02 -0.00 0.21 -0.14 -0.02 -0.06 -0.02 0.01 0.21 0.04 0.03 -0.06 0.14 0.04 0.01 0.00 -0.00 0.12 0.04 0.07 -0.08 -0.03 -0.16 -0.03 -0.07 -0.20 0.09 0.32 0.02 0.05 -0.03 -0.19 0.34 -0.07 0.16 -0.02 -0.00 0.01 -0.05 0.04 -0.02 -0.14 0.08 -0.21 -0.20 0.02 0.11 0.08 -0.00 -0.03 0.10 0.03 -0.05 0.01 -0.02 0.01 -0.02 -0.02 0.09 -0.01 -0.04 -0.05 -0.00 -0.01 -0.03 0.03 0.06 0.06 0.02 -0.05 0.00 0.28 -0.09 -0.02 0.09 -0.07 -0.03 0.12 0.11 -0.01 -0.07 0.17 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.03 0.08 0.03 0.23 -0.00 -0.03 -0.20 0.00 -0.02 0.12 -0.01 0.00 0.08 0.03 -0.02 -0.07 -0.03 0.01 -0.00 -0.00 0.07 -0.08 0.01 0.03 -0.01 0.01 0.07 0.17 -0.07 -0.01 0.01 -0.03 -0.07 -0.03 0.04 -0.01 0.01 -0.07 -0.00 -0.00 -0.00 -0.02 -0.21 0.02 0.01 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.03 0.04 -0.01 0.00 -0.00 0.01 0.08 -0.02 -0.00 0.10 -0.06 0.06 0.08 -0.12 0.02 0.05 0.04 0.11 -0.05 0.02 -0.01 0.20 0.23 -0.29 -0.04 -0.04 -0.11 -0.00 0.01 -0.03 0.00 0.01 -0.02 -0.05 0.02 0.04 -0.17 -0.04 0.10 -0.02 0.03 0.04 -0.04 0.05 -0.19 0.01 0.04 -0.02 0.01 0.06 -0.03 -0.01 -0.00 0.06 -0.05 -0.62 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.03 0.00 0.02 -0.04 -0.03 0.08 -0.01 0.03 0.00 0.00 0.02 0.04 -0.05 0.02 0.15 -0.01 -0.00 -0.02 -0.01 -0.01 0.15 0.00 -0.06 -0.12 -0.03 0.01 0.07 0.01 -0.05 -0.03 -0.03 -0.07 0.10 0.01 -0.02 0.01 0.01 0.01 -0.16 0.08 0.07 -0.01 0.04 0.10 0.04 -0.05 0.00 0.00 0.06 0.05 -0.01 0.02 -0.02 -0.14 -0.00 -0.02 0.05 -0.02 -0.01 -0.03 -0.06 -0.03 0.02 0.04 -0.03 -0.05 0.01 -0.01 -0.08 0.00 -0.06 0.02 -0.05 -0.17 0.02 -0.03 -0.09 0.05 -0.09 -0.05 0.18 -0.01 -0.05 -0.02 -0.16 0.13 -0.01 0.03 0.10 -0.30 0.27 0.11 0.00 0.11 0.09 0.03 -0.01 0.09 0.01 0.07 0.10 0.01 -0.05 0.16 0.05 -0.09 0.06 0.00 -0.03 -0.00 -0.03 0.18 -0.01 -0.05 -0.01 -0.01 -0.04 0.03 0.01 -0.01 -0.03 -0.05 -0.49 -0.01 -0.07 0.01 -0.03 -0.07 -0.01 -0.04 -0.01 -0.03 0.12 -0.01 -0.07 0.11 -0.00 -0.27 0.02 -0.03 -0.00 -0.01 0.01 -0.01 -0.03 0.00 -0.08 -0.00 -0.00 0.20 0.00 -0.00 0.21 -0.00 0.08 0.02 0.02 -0.00 -0.02 -0.00 0.07 0.06 0.05 0.00 -0.03 -0.03 -0.01 0.02 -0.03 0.03 -0.01 0.01 -0.07 0.02 -0.02 -0.05 -0.03 0.03 0.00 0.00 -0.02 -0.05 0.01 -0.04 -0.01 -0.09 0.00 0.02 -0.06 0.02 0.01 0.03 0.07 0.03 -0.03 -0.05 0.03 0.06 -0.01 -0.02 -0.22 -0.00 0.06 -0.02 0.06 0.12 0.02 0.06 0.01 0.04 0.08 -0.04 -0.13 -0.01 -0.00 -0.02 0.12 -0.16 0.03 -0.06 -0.04 0.04 -0.02 0.02 -0.00 0.00 -0.10 -0.07 0.08 -0.11 -0.03 -0.10 -0.06 -0.02 0.03 -0.05 -0.03 0.03 -0.05 -0.03 0.02 0.00 0.01 -0.05 0.01 0.01 0.01 0.01 0.01 -0.03 0.00 -0.02 -0.08 -0.02 -0.25 0.00 0.07 -0.03 0.06 0.08 -0.00 0.06 -0.00 0.03 -0.12 0.00 0.08 -0.11 -0.03 -0.71 0.00 -0.04 -0.00 -0.01 0.02 0.02 -0.09 0.06 0.10 -0.02 -0.06 -0.11 -0.03 -0.08 -0.09 0.01 0.10 -0.09 0.03 -0.00 0.01 0.01 0.08 0.09 0.06 -0.07 0.05 -0.05 -0.05 0.07 -0.06 0.21 -0.15 0.09 -0.09 0.03 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.02 -0.07 0.01 -0.05 -0.06 0.03 0.02 0.02 -0.08 0.01 0.02 0.04 0.08 0.03 -0.04 -0.06 0.04 0.07 -0.00 -0.07 0.11 0.00 0.08 -0.02 0.07 0.05 0.07 0.09 -0.06 0.13 0.09 -0.13 -0.10 -0.03 -0.06 -0.04 0.09 -0.21 0.06 -0.09 0.25 -0.24 0.22 0.25 -0.07 0.10 -0.14 -0.12 0.15 -0.12 -0.04 -0.15 -0.02 -0.04 0.00 0.04 -0.00 -0.03 -0.03 -0.04 0.00 0.06 -0.02 0.06 0.01 -0.01 0.03 0.01 -0.04 -0.02 0.01 0.01 -0.19 -0.13 0.03 -0.01 0.09 -0.05 0.07 0.10 -0.00 0.09 -0.02 0.02 -0.13 -0.00 0.08 -0.11 -0.04 0.33 0.03 -0.02 -0.00 0.00 -0.01 -0.01 0.01 0.04 -0.06 -0.00 -0.04 0.04 -0.00 -0.05 0.01 0.00 0.05 0.01 0.02 -0.01 0.01 0.00 -0.01 -0.03 -0.05 0.03 0.00 -0.00 0.01 0.04 -0.03 0.15 0.02 -0.01 -0.03 -0.03 0.00 -0.03 -0.01 0.01 -0.00 0.00 -0.01 -0.07 -0.11 0.22 -0.03 0.01 0.02 0.03 0.02 -0.13 0.01 0.11 -0.09 -0.00 -0.11 0.11 -0.03 -0.02 0.15 -0.05 -0.02 -0.00 0.08 0.10 -0.19 0.05 -0.02 -0.08 0.03 0.05 0.07 -0.00 -0.06 0.00 0.02 0.04 0.09 -0.10 0.10 -0.05 0.13 0.06 -0.06 0.14 -0.05 -0.01 -0.01 0.06 -0.10 0.10 0.05 0.09 -0.03 -0.02 0.01 -0.01 -0.01 0.00 -0.04 -0.02 0.02 0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.04 -0.02 -0.03 -0.04 -0.07 0.07 0.01 0.12 0.22 -0.44 0.09 0.24 -0.39 -0.05 -0.12 0.18 -0.09 -0.10 0.22 -0.05 -0.06 0.01 0.01 0.00 0.00 0.00 -0.01 0.06 0.09 -0.12 -0.01 -0.07 0.06 0.00 -0.09 0.01 -0.00 -0.02 -0.00 -0.02 -0.00 -0.03 -0.01 -0.18 -0.05 -0.04 -0.00 -0.01 0.03 -0.06 0.04 0.00 0.32 0.09 -0.07 -0.02 -0.02 0.01 0.05 0.02 -0.03 0.00 -0.01 0.03 0.05 0.04 -0.06 -0.04 0.01 0.07 0.00 0.05 0.04 0.01 -0.06 -0.02 0.02 0.09 -0.01 0.03 -0.04 -0.07 -0.10 -0.02 -0.01 -0.07 -0.03 0.05 -0.23 -0.00 -0.07 0.05 -0.11 -0.10 0.08 0.16 0.01 -0.05 0.20 -0.27 0.22 -0.02 0.05 0.27 0.10 -0.06 0.30 0.03 -0.08 0.00 0.06 -0.07 0.01 0.01 0.06 0.06 0.05 -0.03 -0.00 0.01 0.00 0.08 0.05 -0.03 -0.00 0.01 -0.03 -0.01 0.03 0.04 0.00 0.02 0.08 0.01 -0.00 0.09 -0.11 0.15 0.04 -0.08 -0.09 0.24 -0.07 -0.15 0.20 0.08 0.00 0.09 0.08 -0.05 0.06 -0.10 -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 0.03 0.02 0.01 0.03 -0.10 -0.01 0.01 0.11 0.05 -0.10 -0.03 0.03 -0.06 -0.04 0.06 0.00 0.01 -0.00 0.01 0.08 -0.08 0.04 -0.00 -0.02 0.01 -0.02 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.00 -0.01 0.02 -0.01 -0.02 0.03 -0.00 -0.02 0.04 -0.00 -0.00 -0.00 0.01 0.02 -0.05 0.01 0.11 0.05 -0.01 -0.25 -0.28 0.08 0.31 -0.00 -0.14 -0.13 -0.35 0.32 -0.11 0.13 -0.00 0.02 -0.01 0.00 0.00 -0.00 0.03 -0.10 0.09 0.02 -0.01 -0.29 0.03 0.05 -0.01 -0.06 -0.00 0.03 0.11 0.08 -0.05 -0.06 0.04 -0.17 -0.02 0.06 0.04 0.01 0.06 0.14 0.00 0.01 -0.02 -0.00 0.00 0.00 0.03 0.10 -0.22 0.04 0.11 -0.23 0.00 0.07 -0.15 0.03 0.09 -0.16 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.03 0.00 0.06 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.02 0.01 -0.08 -0.01 0.04 -0.00 -0.04 -0.05 0.04 0.03 -0.04 0.03 -0.02 -0.01 0.01 -0.02 0.16 -0.02 0.05 0.04 -0.00 -0.02 -0.00 -0.02 0.01 -0.02 -0.02 0.03 0.00 -0.00 0.00 -0.01 -0.07 -0.09 -0.03 0.12 0.00 -0.04 -0.10 -0.12 -0.07 0.14 -0.01 0.00 -0.00 -0.00 0.08 -0.03 0.07 0.04 -0.03 -0.02 0.05 -0.06 -0.09 0.03 0.20 0.02 -0.09 -0.07 -0.17 0.12 0.08 0.02 -0.02 0.01 -0.01 0.00 0.04 -0.02 0.18 0.06 -0.03 0.23 0.03 0.10 0.03 0.06 -0.01 -0.07 0.00 0.03 0.11 0.08 -0.05 -0.04 0.03 -0.14 -0.01 0.05 0.06 0.01 0.05 0.12 -0.03 -0.02 0.02 0.01 0.01 0.00 -0.01 -0.22 0.27 -0.03 -0.07 0.34 -0.23 -0.20 0.23 -0.25 -0.11 0.30 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 0.06 0.01 0.03 -0.06 -0.01 -0.03 0.07 0.01 0.04 -0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 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 0.06 0.21 -0.40 -0.06 -0.20 0.40 0.07 0.23 -0.45 -0.06 -0.25 0.49 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.09 -0.02 0.02 0.00 0.01 -0.01 -0.02 0.01 -0.00 0.00 0.07 0.06 0.09 0.03 -0.04 0.01 0.03 0.03 -0.01 -0.03 -0.01 0.03 -0.04 0.01 -0.01 -0.04 -0.02 0.09 -0.13 -0.02 -0.04 -0.01 -0.02 0.01 0.01 -0.01 -0.03 -0.03 -0.06 0.12 -0.00 0.00 -0.02 0.02 0.09 -0.03 0.03 -0.01 -0.07 0.05 0.10 -0.01 0.05 -0.04 -0.07 0.01 0.00 0.01 -0.05 -0.03 0.04 0.21 -0.01 -0.05 0.05 -0.11 -0.09 0.05 0.15 0.01 -0.07 -0.05 -0.12 0.09 0.06 0.02 -0.02 0.09 -0.13 -0.08 -0.23 0.08 -0.16 0.04 -0.09 -0.05 0.04 0.04 -0.05 -0.01 0.02 -0.05 -0.01 0.02 0.02 0.02 -0.02 -0.04 0.02 -0.11 -0.03 0.03 -0.05 0.00 0.03 0.06 0.01 -0.01 -0.15 -0.00 -0.03 -0.02 -0.04 -0.08 0.30 -0.03 -0.13 0.19 0.07 -0.17 0.45 0.06 -0.21 0.35 0.02 0.00 0.02 0.00 -0.00 0.00 -0.01 0.00 0.02 -0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.02 -0.00 0.01 0.02 -0.13 -0.03 0.08 -0.10 -0.00 -0.05 0.18 0.00 -0.06 0.09 -0.08 -0.03 0.02 -0.01 -0.05 -0.11 0.05 0.04 -0.03 -0.02 0.01 -0.04 0.03 -0.00 0.02 -0.06 0.00 -0.00 -0.01 0.00 0.02 0.04 -0.00 -0.02 0.02 0.02 0.02 0.05 0.01 -0.04 0.02 0.01 0.00 -0.00 -0.01 0.01 -0.03 0.21 -0.15 -0.01 0.07 0.23 0.15 -0.03 0.07 0.05 -0.11 -0.06 -0.09 -0.06 0.12 -0.08 -0.04 0.04 -0.03 -0.05 0.03 -0.02 -0.14 0.11 -0.14 -0.13 -0.00 0.39 0.01 0.11 -0.00 -0.23 -0.01 0.09 0.21 0.18 -0.08 -0.07 0.06 -0.23 -0.01 0.09 0.11 0.04 0.10 0.22 -0.02 -0.02 -0.01 0.01 0.01 -0.00 0.03 0.10 -0.10 0.01 0.06 -0.13 0.10 0.11 -0.18 0.05 0.09 -0.21 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.12 -0.00 -0.00 0.00 0.01 -0.00 -0.04 -0.00 -0.00 0.01 -0.01 0.09 0.10 -0.00 0.04 0.02 -0.06 -0.05 -0.03 0.06 -0.10 0.05 -0.09 0.06 -0.03 -0.00 -0.01 0.15 0.08 -0.07 0.05 -0.01 0.01 0.01 -0.01 0.02 -0.03 0.03 0.04 -0.08 -0.01 0.00 -0.02 -0.01 -0.03 0.02 -0.02 0.02 0.03 -0.02 -0.05 0.01 -0.04 0.02 0.04 -0.00 0.01 0.01 0.02 0.01 -0.02 0.08 -0.12 -0.01 0.17 -0.19 -0.05 0.13 0.09 0.02 -0.04 0.29 -0.22 0.16 0.04 0.02 0.08 0.15 -0.23 -0.03 -0.46 0.14 0.06 0.10 -0.10 0.08 0.01 0.24 -0.02 -0.05 0.00 0.08 0.01 -0.04 -0.07 -0.06 0.03 0.01 -0.01 0.04 -0.01 -0.03 -0.08 -0.02 -0.03 -0.08 0.02 -0.01 -0.10 -0.03 -0.01 -0.03 0.01 0.01 -0.07 -0.01 0.06 -0.04 -0.02 0.08 -0.23 -0.05 0.12 -0.22 0.02 -0.03 0.04 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.04 0.00 0.00 0.01 -0.00 -0.00 0.05 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.17 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.02 -0.01 -0.01 -0.00 0.03 0.01 -0.02 -0.01 -0.04 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 0.92 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.32 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.03 -0.00 0.00 -0.00 -0.00 0.03 0.01 0.00 0.03 -0.00 0.03 -0.01 -0.02 0.01 0.02 0.03 0.01 -0.00 -0.01 0.00 -0.03 0.03 -0.03 0.02 -0.03 -0.01 -0.01 -0.03 -0.01 -0.01 0.02 -0.00 0.01 0.01 -0.00 0.01 -0.03 -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.16 0.00 -0.00 0.00 -0.00 0.04 -0.04 0.01 0.09 -0.11 -0.05 0.02 0.10 -0.01 -0.03 0.03 -0.05 0.02 0.08 -0.01 -0.04 -0.05 0.07 0.01 0.11 -0.03 -0.03 -0.00 0.02 -0.02 -0.01 0.04 -0.05 -0.06 0.01 0.09 0.02 -0.06 -0.05 -0.05 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.07 -0.01 -0.01 -0.04 -0.01 -0.00 -0.02 -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 0.01 0.01 -0.02 0.01 0.87 -0.02 0.00 0.00 -0.00 0.03 0.01 -0.07 0.01 -0.03 0.01 0.00 0.02 -0.02 -0.01 0.01 0.00 -0.08 0.03 0.06 -0.02 -0.04 -0.08 -0.04 0.00 0.04 0.00 0.07 -0.08 0.06 -0.05 0.07 0.02 0.04 0.08 0.04 0.02 -0.06 0.00 -0.03 -0.04 0.01 -0.01 0.09 0.01 -0.00 0.01 -0.01 0.04 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.01 0.02 -0.00 -0.00 -0.08 0.00 0.00 -0.00 0.01 -0.09 0.10 -0.04 -0.23 0.27 0.12 -0.03 -0.27 0.03 0.07 -0.03 0.08 -0.02 -0.23 0.05 0.08 0.14 -0.18 -0.02 -0.28 0.07 0.08 0.04 -0.09 0.08 0.03 -0.06 0.14 0.16 -0.03 -0.26 -0.06 0.16 0.10 0.12 0.03 0.01 0.01 0.00 0.03 0.02 0.15 0.02 0.02 0.11 0.03 -0.00 0.06 -0.03 -0.22 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.03 -0.03 0.04 -0.03 -0.02 0.05 0.03 0.42 0.02 -0.00 0.00 0.00 0.01 -0.00 0.02 -0.01 0.01 -0.17 -0.20 0.01 -0.01 0.33 -0.00 0.23 0.01 0.01 -0.00 0.02 0.00 -0.01 -0.01 0.01 0.02 -0.00 -0.00 -0.03 -0.01 0.00 0.02 0.02 -0.01 -0.04 0.01 -0.03 -0.02 -0.02 -0.01 0.01 0.01 0.01 0.01 0.00 -0.00 -0.00 0.16 -0.01 -0.27 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.27 0.01 0.27 0.00 -0.00 -0.00 0.00 0.06 -0.04 -0.07 0.04 0.01 0.01 -0.08 0.00 -0.00 0.06 -0.05 0.05 -0.08 0.03 -0.04 -0.02 0.03 0.14 0.03 -0.01 -0.03 0.05 -0.08 0.05 0.03 0.07 -0.01 0.01 0.01 -0.04 -0.02 0.03 -0.00 0.01 0.01 -0.01 -0.00 0.04 -0.01 -0.01 -0.03 -0.01 -0.01 0.03 -0.01 -0.05 -0.04 -0.20 0.04 -0.40 0.00 0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.47 0.01 0.06 0.00 -0.00 -0.00 0.01 0.00 -0.04 0.00 -0.02 -0.01 -0.01 0.00 -0.02 0.02 -0.00 0.02 -0.07 -0.00 0.03 -0.07 -0.03 0.04 0.01 -0.05 -0.06 0.01 0.05 0.09 0.05 -0.04 -0.07 0.02 0.04 0.04 -0.02 0.11 0.07 0.08 0.03 -0.03 -0.04 -0.02 -0.03 -0.00 0.01 0.01 0.01 0.01 -0.02 0.00 -0.02 -0.02 0.01 -0.02 -0.01 -0.01 -0.01 0.00 0.02 -0.01 -0.00 -0.02 -0.01 0.02 -0.00 0.01 0.00 -0.05 -0.23 0.14 0.20 -0.08 -0.00 -0.06 0.22 -0.01 0.04 -0.25 0.26 -0.21 0.25 -0.10 0.07 0.11 -0.13 -0.03 -0.17 0.03 0.14 -0.21 0.32 -0.14 -0.10 -0.33 0.04 0.02 -0.03 0.06 0.05 -0.05 0.10 0.06 -0.06 0.01 0.03 -0.18 0.06 0.04 0.18 0.03 0.06 -0.11 0.01 -0.01 0.05 -0.03 -0.05 -0.04 -0.01 -0.04 -0.02 0.02 -0.03 -0.00 -0.05 0.02 -0.03 0.06 0.01 0.01 -0.03 0.02 0.02 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.01 0.00 -0.15 -0.03 -0.03 0.07 0.04 0.01 -0.07 -0.13 -0.05 0.08 0.09 0.05 -0.01 0.01 -0.00 -0.02 -0.06 0.01 0.09 0.06 -0.08 -0.09 -0.03 0.07 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.02 0.00 -0.00 0.01 -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 0.07 0.16 -0.11 -0.00 -0.18 -0.10 -0.09 -0.03 -0.10 0.11 0.17 0.10 0.07 0.14 0.05 -0.01 0.02 -0.02 -0.03 0.01 -0.01 -0.11 0.08 -0.10 0.01 0.03 0.21 0.26 0.05 -0.10 0.17 0.03 -0.05 -0.01 -0.04 0.02 0.17 0.01 -0.11 0.20 0.02 0.55 0.08 0.06 -0.33 -0.02 -0.02 -0.04 0.00 -0.01 -0.00 0.01 0.01 0.03 -0.01 -0.01 0.03 0.04 0.01 -0.01 -0.00 0.01 -0.05 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.02 0.02 -0.10 0.04 -0.01 -0.04 -0.00 -0.04 0.03 0.01 0.02 -0.02 -0.00 0.00 0.01 -0.02 0.02 0.04 -0.07 -0.01 -0.08 0.06 0.03 0.08 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.07 0.03 0.05 -0.13 -0.10 0.09 0.12 0.01 -0.00 -0.04 0.02 0.02 0.20 -0.01 0.01 0.01 -0.02 -0.03 -0.02 0.00 -0.01 -0.06 0.12 -0.07 -0.03 -0.05 0.51 0.20 -0.12 -0.13 -0.15 0.27 -0.22 -0.10 0.31 -0.07 -0.03 0.27 -0.10 -0.04 -0.22 -0.06 -0.08 0.28 -0.01 -0.01 -0.02 0.00 0.02 -0.01 -0.01 -0.03 0.04 -0.00 -0.03 0.04 0.00 0.03 -0.05 0.03 0.02 -0.04 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.02 -0.01 0.01 -0.01 0.02 -0.03 -0.03 0.01 -0.02 0.03 -0.02 0.02 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.02 0.01 -0.01 -0.01 -0.00 -0.01 0.03 -0.00 0.00 -0.00 0.01 0.04 -0.07 0.01 0.04 -0.08 -0.01 -0.03 0.07 -0.01 -0.04 0.07 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.05 0.07 -0.06 -0.09 0.02 -0.04 -0.04 -0.01 -0.02 0.02 -0.05 0.05 -0.01 -0.00 0.01 0.01 0.01 -0.02 -0.01 -0.02 0.01 -0.01 0.01 -0.01 0.04 0.01 -0.01 -0.09 -0.02 0.03 -0.02 0.01 -0.02 0.04 0.02 -0.05 -0.02 0.01 -0.04 -0.01 0.01 -0.03 0.00 0.01 0.03 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 -0.06 -0.21 0.41 -0.07 -0.23 0.47 0.06 0.20 -0.40 0.06 0.21 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.04 -0.09 -0.01 -0.04 0.08 -0.01 -0.04 0.08 0.01 0.03 -0.07 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.02 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.02 0.00 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.07 -0.25 0.49 0.06 0.23 -0.45 0.06 0.21 -0.42 -0.05 -0.19 0.36 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.04 0.00 0.01 -0.03 -0.01 -0.00 0.07 -0.00 -0.00 -0.01 -0.07 0.01 0.06 -0.08 0.01 -0.02 0.03 -0.01 0.12 0.13 0.02 0.07 -0.12 -0.03 -0.05 0.01 -0.03 -0.08 0.02 0.01 -0.12 0.01 0.02 -0.05 -0.05 0.02 0.02 -0.01 -0.03 0.04 0.00 -0.00 0.00 0.00 0.02 -0.02 0.00 0.03 -0.03 0.00 -0.00 0.01 -0.01 -0.01 0.02 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.26 -0.17 0.19 0.33 0.06 0.23 0.18 -0.02 0.11 -0.14 -0.05 -0.19 0.01 -0.21 -0.03 -0.09 -0.12 0.18 0.16 0.19 -0.04 -0.01 0.02 -0.12 0.08 0.04 -0.09 0.21 0.09 -0.07 -0.01 -0.03 0.07 -0.03 -0.00 0.09 0.09 -0.02 0.09 0.08 -0.05 0.16 0.01 -0.02 -0.23 0.03 0.01 0.14 0.01 0.01 0.01 -0.02 -0.05 0.13 -0.03 -0.09 0.20 0.03 0.02 -0.05 -0.00 0.05 -0.10 -0.04 -0.01 -0.07 0.00 -0.00 -0.00 -0.02 0.01 0.08 -0.01 0.01 0.04 0.01 -0.00 -0.11 0.01 -0.00 0.02 0.15 -0.01 -0.12 -0.01 0.01 -0.08 -0.02 -0.06 -0.02 0.10 0.05 -0.02 -0.10 -0.01 0.03 -0.03 -0.01 0.07 -0.01 0.07 0.00 -0.03 0.02 0.02 -0.05 -0.02 0.06 -0.01 0.01 0.03 0.01 -0.00 0.01 0.01 -0.02 -0.02 0.00 -0.01 -0.02 -0.01 0.00 0.00 0.02 -0.02 0.00 -0.01 -0.00 0.01 -0.00 0.01 0.00 -0.07 -0.11 0.04 -0.04 0.20 0.14 0.31 -0.18 0.17 -0.12 0.06 -0.28 0.17 -0.10 0.07 0.07 0.05 -0.12 -0.23 -0.09 0.01 0.16 -0.08 0.10 -0.18 -0.05 -0.16 -0.05 -0.09 0.01 0.12 0.03 -0.09 -0.11 -0.10 0.00 0.10 0.02 -0.08 0.13 0.02 0.36 0.06 0.06 -0.14 -0.04 -0.00 -0.19 0.01 -0.00 0.01 -0.00 -0.03 -0.00 -0.01 -0.05 0.06 -0.05 0.02 0.01 0.06 0.02 -0.02 0.06 0.01 0.10 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.03 0.00 -0.00 0.12 -0.00 -0.00 -0.03 0.04 -0.00 0.05 0.02 0.00 -0.01 -0.00 -0.06 -0.04 -0.03 -0.02 -0.04 -0.01 0.05 0.03 0.00 0.00 -0.02 -0.00 0.05 0.03 0.02 -0.07 0.01 -0.04 0.06 0.01 -0.01 0.02 0.01 -0.02 -0.00 -0.05 0.04 -0.11 -0.04 0.02 0.08 0.04 -0.01 0.05 0.02 0.03 -0.06 -0.03 0.04 0.00 -0.00 -0.07 0.00 -0.01 0.04 -0.13 0.01 -0.22 0.02 -0.09 0.13 -0.07 0.06 0.00 0.14 -0.08 0.16 0.20 0.07 -0.05 0.01 0.03 0.06 0.05 -0.01 0.15 -0.07 0.10 -0.11 -0.05 -0.10 -0.14 0.10 0.05 -0.31 -0.03 0.08 0.26 0.20 -0.13 0.14 -0.06 0.32 0.07 -0.14 0.00 -0.04 -0.11 -0.32 -0.00 0.00 -0.08 -0.04 0.01 -0.06 -0.02 -0.14 -0.10 -0.06 0.11 0.06 -0.13 0.10 0.04 -0.02 -0.08 -0.05 -0.04 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.07 0.00 0.00 0.02 -0.04 0.01 -0.03 -0.01 -0.00 0.01 0.00 0.04 0.03 0.02 0.01 0.02 0.01 -0.04 -0.02 -0.00 -0.01 0.01 0.02 -0.04 -0.02 -0.02 0.05 -0.01 0.03 -0.05 -0.01 -0.02 -0.01 -0.01 0.02 0.00 0.04 0.08 -0.18 -0.07 0.04 0.20 0.11 0.01 0.12 0.06 0.02 -0.11 -0.05 -0.02 -0.00 0.00 -0.15 -0.01 -0.03 -0.02 0.10 -0.02 0.16 -0.02 0.06 -0.10 0.04 -0.05 0.00 -0.09 0.06 -0.11 -0.15 -0.05 0.03 -0.01 -0.01 -0.02 -0.03 0.01 -0.06 0.06 -0.10 0.12 0.04 0.08 0.10 -0.08 -0.04 0.23 0.02 -0.06 -0.19 -0.15 0.09 -0.11 0.05 -0.25 -0.06 0.10 -0.01 0.03 0.08 0.25 0.00 0.00 0.08 0.03 -0.00 0.04 -0.06 -0.27 -0.15 -0.12 0.28 0.12 -0.14 0.19 0.08 -0.16 -0.22 -0.14 0.03 -0.00 0.06 -0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.04 0.01 -0.04 0.00 -0.00 0.27 -0.01 -0.00 -0.07 0.05 0.03 -0.03 -0.00 0.00 -0.03 -0.05 -0.02 -0.01 0.01 0.02 -0.01 0.01 -0.02 0.01 0.03 -0.02 0.05 0.00 0.02 0.00 -0.04 0.06 0.01 0.03 -0.09 0.02 0.00 0.01 -0.00 -0.07 -0.00 -0.16 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 -0.07 -0.02 -0.00 -0.00 0.05 0.03 -0.03 -0.03 -0.01 0.04 0.09 0.03 -0.03 -0.08 -0.00 0.04 0.02 -0.04 0.11 -0.15 0.07 0.06 -0.01 0.01 -0.01 -0.01 -0.04 0.08 -0.13 -0.03 0.31 0.03 -0.10 -0.26 -0.21 0.11 -0.12 0.08 -0.42 -0.04 0.17 0.13 0.07 0.15 0.34 -0.01 0.02 -0.06 -0.17 -0.00 -0.21 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 0.01 -0.09 -0.00 -0.22 0.00 -0.00 -0.00 0.02 -0.00 -0.03 -0.01 0.01 0.01 0.00 -0.00 -0.05 0.01 -0.00 0.02 0.03 -0.02 0.09 0.01 -0.01 0.01 -0.05 -0.14 0.10 -0.07 -0.00 -0.05 0.02 0.11 0.03 -0.03 0.00 -0.06 0.03 0.07 -0.08 -0.01 0.03 0.00 0.03 -0.04 -0.02 0.01 0.00 0.04 0.02 -0.00 0.04 0.01 -0.01 -0.02 0.00 -0.01 -0.02 -0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.02 0.00 -0.00 -0.01 0.01 0.00 0.12 -0.33 0.21 -0.11 0.00 -0.06 -0.17 0.00 -0.10 0.16 0.55 0.09 0.03 0.07 0.03 -0.12 -0.02 0.06 -0.02 0.17 -0.06 0.23 -0.05 -0.03 -0.10 -0.02 -0.19 0.04 -0.06 -0.01 0.14 0.01 -0.04 -0.11 -0.09 0.05 -0.11 0.02 -0.18 -0.06 0.08 -0.06 0.01 0.04 0.23 0.02 0.01 -0.03 0.07 -0.00 0.06 0.00 -0.04 0.03 -0.01 -0.04 0.05 -0.05 0.00 -0.01 0.04 0.03 0.01 0.01 -0.00 0.04 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.04 0.01 -0.03 -0.01 -0.00 -0.01 -0.01 -0.00 0.02 -0.10 0.16 0.03 0.03 0.04 -0.07 0.04 0.02 -0.09 0.03 -0.02 -0.03 0.01 -0.02 0.03 0.00 -0.11 -0.05 -0.03 0.00 0.07 -0.02 -0.00 0.03 -0.01 -0.07 0.03 -0.00 0.01 -0.01 0.03 -0.00 0.08 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.03 0.00 -0.02 0.01 0.01 0.00 0.30 -0.14 -0.04 -0.34 0.03 -0.15 0.26 -0.11 0.11 -0.00 -0.04 -0.04 0.15 0.23 0.07 -0.15 -0.18 0.22 0.29 0.07 0.04 0.01 -0.03 0.10 -0.05 -0.03 0.01 -0.11 -0.06 0.03 0.01 0.01 -0.04 -0.04 -0.04 -0.01 -0.03 0.05 -0.29 0.02 0.11 0.21 0.07 0.12 0.13 0.01 -0.01 0.23 0.04 0.01 0.09 0.01 0.01 -0.02 -0.01 0.01 -0.03 -0.03 0.01 0.01 0.03 0.00 0.01 -0.03 -0.00 -0.02 -0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.03 0.02 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.16 -0.07 -0.10 0.02 0.01 -0.03 0.13 -0.03 0.07 -0.02 -0.05 -0.03 -0.02 0.08 0.00 0.03 0.06 0.05 0.02 0.01 -0.05 0.01 0.02 0.06 0.03 0.02 0.01 -0.03 -0.02 0.02 -0.02 0.00 -0.04 -0.06 0.02 -0.00 -0.05 -0.01 -0.02 0.01 0.09 0.05 0.03 -0.08 -0.04 0.01 -0.00 0.02 0.20 0.00 0.03 0.14 -0.12 0.16 -0.12 -0.04 -0.08 0.11 -0.05 0.03 -0.05 -0.01 -0.08 0.13 0.19 0.04 0.26 0.04 -0.11 -0.11 -0.16 0.01 -0.06 -0.02 0.01 -0.03 0.00 -0.01 -0.22 -0.13 0.06 0.14 0.07 -0.15 0.00 -0.03 -0.10 -0.02 -0.01 0.09 -0.03 -0.01 -0.10 -0.02 -0.02 0.09 0.01 0.02 0.31 -0.06 -0.01 -0.06 -0.23 -0.08 -0.04 -0.23 0.04 0.03 -0.19 0.19 0.07 -0.18 -0.22 -0.14 0.02 -0.00 0.03 -0.02 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.13 0.06 0.08 -0.01 -0.01 0.03 -0.10 0.01 -0.05 0.01 0.04 0.03 0.01 -0.06 -0.00 -0.02 -0.05 -0.04 0.02 -0.01 0.03 -0.00 -0.01 -0.05 -0.02 -0.01 -0.01 0.00 0.02 -0.02 0.01 -0.00 0.03 -0.06 0.01 0.00 -0.07 -0.03 -0.01 -0.00 0.09 0.05 0.03 -0.09 -0.04 -0.01 0.00 -0.01 0.24 0.01 0.04 -0.13 0.08 -0.10 0.11 0.03 0.07 -0.12 0.04 -0.04 0.05 0.05 0.07 -0.10 -0.17 -0.03 -0.20 -0.02 0.08 0.09 0.12 -0.01 0.08 0.02 -0.01 0.06 -0.00 -0.00 0.17 0.11 -0.05 -0.11 -0.06 0.12 0.01 0.03 0.08 0.01 0.00 -0.07 0.02 0.01 0.06 0.01 0.01 -0.06 -0.01 -0.02 -0.25 0.05 0.01 0.05 -0.26 -0.09 -0.11 -0.31 0.09 -0.03 -0.31 0.25 0.08 -0.20 -0.25 -0.15 -0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.01 0.01 -0.03 -0.00 -0.01 -0.02 0.00 0.00 0.01 0.00 0.00 0.02 -0.03 -0.12 0.16 -0.00 -0.05 0.01 0.04 0.01 -0.06 0.01 0.01 -0.07 -0.04 0.03 0.04 -0.01 0.07 -0.05 -0.01 0.01 0.05 -0.01 0.07 0.01 0.01 0.00 -0.01 0.01 0.04 0.02 0.01 0.00 0.03 0.03 -0.03 -0.01 -0.03 -0.03 -0.02 -0.03 -0.02 -0.02 0.03 -0.02 -0.00 -0.01 0.00 -0.02 0.00 0.03 0.01 -0.05 0.27 -0.28 0.09 0.10 0.14 0.13 -0.16 0.05 -0.18 -0.35 -0.20 0.11 -0.03 0.07 -0.09 0.11 -0.04 -0.01 0.07 -0.05 0.17 0.00 0.01 -0.18 -0.04 0.08 0.04 -0.13 -0.02 0.29 0.05 -0.10 -0.19 -0.15 0.05 -0.03 -0.01 0.04 -0.02 -0.02 -0.08 -0.03 -0.03 0.05 0.00 -0.00 -0.07 0.01 -0.00 0.03 0.14 0.04 0.03 -0.17 0.04 -0.01 -0.23 0.06 0.00 0.19 0.08 0.07 -0.05 0.00 -0.07 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.02 -0.07 0.09 0.02 -0.02 -0.03 -0.03 0.00 -0.02 0.00 0.02 -0.01 0.01 -0.00 -0.01 -0.01 0.04 -0.03 -0.00 0.01 0.01 -0.02 0.03 0.02 -0.01 -0.00 0.01 0.02 -0.04 -0.03 0.00 0.00 0.01 -0.07 0.02 0.01 0.06 0.03 0.03 0.05 0.03 0.02 -0.07 0.03 0.00 -0.00 0.00 -0.01 0.01 -0.04 -0.02 -0.08 -0.07 0.07 -0.14 0.04 -0.05 0.19 -0.03 0.10 -0.05 -0.17 -0.01 0.04 0.20 0.01 -0.08 0.07 -0.03 -0.01 0.05 -0.03 -0.12 -0.02 0.07 0.16 0.02 -0.09 -0.02 -0.08 0.00 0.13 0.02 -0.05 -0.10 -0.08 0.01 0.02 -0.00 0.00 0.02 -0.01 0.05 0.01 0.01 -0.02 0.00 0.00 -0.11 0.01 -0.00 0.02 -0.36 -0.14 -0.13 0.35 -0.08 -0.00 0.40 -0.12 -0.01 -0.39 -0.16 -0.14 -0.03 0.00 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.05 0.00 0.02 0.02 -0.00 0.01 -0.09 0.00 -0.14 -0.00 -0.00 0.03 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.04 -0.00 -0.03 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 -0.00 -0.10 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.00 0.19 0.00 0.00 0.00 0.01 0.01 -0.02 -0.02 0.01 -0.00 0.04 -0.02 0.02 -0.01 -0.05 -0.01 0.01 0.03 0.01 0.01 -0.02 0.03 0.05 0.05 -0.02 0.00 0.00 0.00 0.02 0.00 -0.00 0.00 -0.01 -0.00 0.02 0.00 -0.00 -0.02 -0.02 0.01 -0.01 0.00 -0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.02 0.70 -0.03 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 0.26 -0.00 0.57 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 -0.00 0.01 0.03 -0.06 0.04 0.05 -0.00 -0.08 -0.08 0.03 0.05 -0.00 0.02 0.05 0.04 -0.02 -0.07 -0.01 0.02 -0.01 0.02 -0.06 -0.03 -0.02 0.01 0.02 -0.03 0.00 0.03 0.01 -0.01 -0.02 -0.00 0.00 -0.00 0.04 0.01 0.01 -0.05 0.01 0.00 -0.04 -0.01 -0.01 0.04 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.06 -0.15 0.22 -0.28 -0.04 -0.20 0.23 0.10 0.14 0.04 -0.11 0.14 -0.08 0.29 -0.07 -0.02 0.04 -0.04 -0.03 0.02 -0.02 -0.21 0.04 -0.07 0.34 0.06 -0.04 -0.06 -0.06 0.02 0.04 0.01 -0.03 -0.06 -0.05 -0.01 0.07 -0.00 0.01 0.06 -0.02 0.14 0.02 0.02 -0.08 0.01 0.01 -0.09 -0.00 -0.00 0.00 0.26 0.14 0.10 -0.29 0.13 0.00 -0.22 0.07 0.00 0.18 0.09 0.07 -0.01 0.00 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.04 -0.02 0.11 0.01 0.00 -0.04 0.04 -0.00 -0.02 -0.02 -0.08 0.07 0.05 0.11 0.11 0.02 0.04 -0.03 0.05 -0.01 0.01 -0.05 -0.02 -0.01 0.04 0.03 -0.03 -0.02 -0.01 0.02 -0.02 -0.04 -0.06 -0.03 -0.07 -0.03 0.04 0.01 0.01 -0.05 0.00 -0.07 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.02 -0.00 0.01 0.00 0.00 0.00 0.10 0.04 -0.06 -0.33 0.04 -0.13 0.02 -0.03 -0.00 -0.01 0.12 -0.06 0.03 0.01 0.00 0.32 -0.15 0.07 -0.34 0.26 -0.14 -0.03 0.00 0.01 -0.05 -0.01 0.03 0.16 0.17 -0.05 -0.17 -0.09 0.17 0.01 0.06 0.15 -0.02 0.03 -0.30 -0.01 0.11 0.15 0.07 0.14 -0.01 0.01 0.01 0.07 -0.27 -0.00 -0.15 -0.02 -0.02 -0.02 -0.02 0.01 0.00 -0.05 0.01 -0.00 -0.05 -0.01 -0.01 0.07 -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 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 0.04 0.03 0.02 0.05 -0.02 -0.01 -0.04 0.02 0.00 -0.04 -0.02 -0.02 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.00 -0.00 -0.02 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.40 0.24 0.18 0.47 -0.21 -0.04 -0.44 0.20 0.04 -0.39 -0.24 -0.18 -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 0.00 -0.01 0.01 -0.00 -0.02 -0.01 0.04 0.01 0.11 -0.04 -0.10 -0.04 0.01 0.06 -0.05 0.00 0.06 0.04 0.01 -0.06 0.01 -0.02 -0.01 -0.01 -0.00 -0.01 -0.04 0.01 0.03 -0.05 0.03 0.02 0.03 0.06 0.04 -0.02 0.00 -0.02 -0.02 -0.03 -0.02 0.03 -0.03 -0.01 0.02 -0.02 -0.01 -0.03 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.02 0.01 0.09 0.21 -0.18 0.01 -0.11 -0.09 0.04 0.16 0.04 0.03 -0.10 0.12 -0.18 -0.10 -0.11 0.07 -0.07 0.05 -0.08 0.09 -0.03 0.45 0.09 -0.23 -0.38 -0.07 0.17 -0.05 -0.10 0.01 0.06 0.00 -0.01 -0.11 -0.08 0.02 0.12 -0.02 0.11 0.09 -0.08 0.14 -0.02 -0.02 -0.14 0.01 0.02 0.17 -0.14 0.00 -0.06 -0.18 -0.13 -0.09 0.09 -0.06 -0.01 0.00 -0.02 -0.01 -0.02 -0.01 -0.01 0.05 -0.00 0.06 0.00 0.00 0.00 0.01 0.01 0.00 -0.02 0.01 -0.03 0.02 -0.00 0.01 -0.01 0.00 0.02 0.02 -0.07 0.04 -0.11 0.18 -0.11 0.03 -0.01 0.06 0.02 -0.06 0.05 -0.01 0.01 -0.06 -0.00 0.01 -0.01 0.00 -0.00 -0.02 0.05 -0.07 0.04 0.05 -0.07 0.03 0.01 0.02 0.02 0.02 -0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.30 0.30 -0.12 0.07 -0.12 -0.02 0.16 0.08 0.07 -0.02 -0.06 0.03 -0.06 0.01 -0.07 -0.14 0.08 -0.04 0.04 -0.02 0.00 0.14 0.02 -0.08 -0.20 -0.02 0.11 -0.25 0.09 0.09 -0.26 0.05 -0.06 0.24 0.14 -0.16 -0.14 0.03 -0.17 -0.08 0.16 0.04 0.05 0.09 0.29 -0.01 -0.01 -0.16 0.19 -0.01 0.07 -0.06 -0.05 -0.03 0.03 -0.02 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.08 0.00 -0.10 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.06 -0.00 -0.12 -0.00 -0.00 0.05 -0.05 0.00 0.01 -0.04 -0.10 -0.05 0.14 0.03 0.08 0.06 0.01 0.01 0.03 0.01 0.04 -0.04 0.00 -0.03 -0.05 0.06 0.03 0.05 0.00 0.00 -0.05 -0.01 -0.04 -0.06 -0.02 -0.02 -0.11 0.01 -0.00 0.05 -0.00 0.06 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 0.03 0.02 0.01 0.03 -0.02 -0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.04 0.07 -0.01 -0.36 0.00 -0.19 -0.11 0.08 -0.05 0.03 0.21 -0.02 -0.06 -0.13 -0.05 -0.13 0.17 -0.12 0.18 -0.28 0.10 0.19 0.01 -0.04 -0.10 -0.02 0.09 0.17 0.08 -0.05 -0.05 -0.09 0.15 -0.09 -0.01 0.18 0.09 0.02 -0.16 0.06 0.01 0.18 0.04 0.08 -0.17 -0.01 -0.00 -0.10 0.26 -0.01 0.13 0.04 0.03 0.03 0.15 -0.09 -0.01 0.12 -0.02 0.01 0.10 0.02 0.03 -0.10 0.01 -0.07 0.00 0.00 0.00 0.00 0.01 0.01 0.06 -0.00 -0.08 -0.01 -0.00 0.03 -0.03 0.00 -0.00 -0.01 -0.05 -0.04 0.01 -0.02 0.01 0.03 0.02 -0.02 0.02 0.02 0.03 -0.02 -0.02 -0.00 -0.04 0.02 0.02 -0.13 -0.00 -0.03 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.29 0.00 0.06 0.03 -0.00 0.04 0.05 0.00 0.01 0.05 0.00 0.01 -0.06 -0.06 -0.04 -0.08 0.05 0.01 -0.02 0.00 0.01 0.00 0.00 0.00 0.14 -0.05 0.01 -0.15 0.01 -0.08 -0.07 0.03 -0.02 0.06 0.24 0.01 -0.04 -0.14 -0.02 -0.07 0.09 -0.07 0.06 -0.13 0.05 -0.39 -0.04 0.08 -0.30 -0.04 0.03 0.03 -0.00 -0.01 0.02 -0.00 -0.00 -0.02 -0.01 0.01 0.02 0.01 0.00 0.01 -0.02 0.00 0.01 0.00 -0.05 -0.00 0.00 -0.07 0.09 -0.00 0.06 -0.21 -0.17 -0.11 -0.33 0.18 0.05 -0.29 0.03 -0.02 -0.25 -0.04 -0.06 -0.04 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.05 -0.00 0.02 0.03 -0.00 -0.01 -0.00 0.00 0.03 -0.02 -0.06 0.03 -0.08 -0.06 -0.07 0.02 0.08 -0.07 0.03 0.04 0.07 -0.02 -0.08 -0.01 0.03 0.02 -0.01 0.00 0.00 0.05 0.03 0.02 0.03 0.03 0.03 0.01 -0.04 0.01 -0.01 -0.01 -0.00 -0.03 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.46 -0.07 -0.09 -0.20 0.01 -0.12 -0.04 0.08 0.02 0.18 0.54 0.07 -0.09 -0.33 -0.04 0.06 -0.00 -0.00 -0.05 0.04 -0.04 0.08 0.01 0.02 0.05 -0.00 0.00 -0.09 -0.08 0.03 0.07 0.07 -0.11 0.02 -0.03 -0.12 -0.04 -0.01 0.14 -0.01 -0.03 -0.08 -0.05 -0.07 0.09 -0.01 -0.00 -0.08 0.17 -0.01 0.02 0.01 0.01 0.00 0.07 -0.03 -0.02 0.06 -0.01 0.00 0.04 0.01 0.01 -0.11 0.00 -0.15 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.16 0.01 0.04 0.09 -0.00 -0.03 -0.02 0.00 0.12 -0.02 0.04 -0.03 0.07 -0.01 0.03 0.00 -0.03 0.02 -0.01 -0.01 -0.02 0.01 0.03 0.01 0.10 -0.02 0.00 -0.02 0.00 -0.02 -0.02 0.00 -0.02 -0.03 0.00 -0.01 0.04 0.00 0.01 -0.01 -0.00 -0.07 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.05 -0.00 0.00 0.00 -0.11 0.02 0.02 0.05 -0.00 0.02 -0.05 -0.01 -0.03 -0.05 -0.15 -0.02 0.02 0.06 0.01 0.03 -0.01 0.04 0.10 -0.06 0.01 -0.05 -0.01 -0.00 -0.04 -0.00 -0.01 0.07 0.01 -0.02 0.01 -0.04 0.05 -0.05 -0.02 0.07 0.06 0.00 -0.03 0.03 -0.02 0.05 0.01 0.02 -0.10 -0.00 -0.01 0.09 0.64 -0.02 0.14 -0.03 -0.02 -0.01 -0.04 0.02 0.01 -0.04 0.01 -0.00 -0.03 -0.01 -0.01 -0.36 0.00 -0.50 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.03 0.04 -0.06 -0.14 -0.07 0.14 -0.04 0.05 0.07 0.06 0.01 -0.03 0.01 -0.03 -0.04 -0.00 -0.01 0.02 0.00 -0.03 -0.03 0.03 0.02 -0.03 0.05 0.02 -0.04 -0.00 0.06 0.04 0.00 0.00 -0.00 -0.02 -0.03 -0.02 0.03 -0.03 -0.01 0.03 -0.02 -0.01 -0.03 -0.02 -0.01 -0.01 0.00 0.00 -0.00 0.03 0.02 0.02 -0.01 0.11 -0.47 0.10 -0.16 0.33 -0.12 0.16 -0.01 -0.14 0.04 0.05 0.37 -0.01 0.00 -0.01 -0.00 -0.02 -0.02 0.01 0.24 0.09 -0.21 -0.19 -0.03 0.15 0.13 0.04 -0.04 0.09 0.00 -0.02 0.03 0.03 0.00 -0.13 0.01 0.04 -0.06 -0.01 -0.21 -0.06 -0.09 0.07 -0.00 -0.01 -0.07 0.04 0.00 0.01 -0.08 -0.06 -0.04 0.07 -0.05 -0.01 -0.04 0.01 -0.00 0.03 0.01 0.01 -0.06 0.00 -0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.12 -0.02 -0.00 0.15 -0.00 0.01 -0.06 0.00 -0.07 0.00 -0.01 0.00 0.02 0.04 -0.02 -0.05 0.03 -0.00 -0.02 -0.01 -0.02 0.01 -0.00 0.03 -0.07 0.01 0.02 -0.01 -0.01 0.02 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.13 0.00 0.09 0.00 0.01 0.00 0.29 -0.17 0.06 0.24 -0.01 0.12 -0.13 -0.02 -0.08 -0.04 -0.15 -0.01 0.07 0.11 0.06 0.24 -0.12 0.01 -0.28 0.12 -0.04 0.12 0.06 -0.09 0.10 0.01 -0.04 -0.03 0.02 0.01 -0.05 -0.00 0.00 0.02 0.02 -0.00 -0.00 -0.00 -0.02 0.00 0.03 0.05 0.01 0.02 0.02 -0.00 -0.00 -0.07 -0.05 -0.00 -0.03 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.54 0.01 -0.38 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.03 -0.00 -0.03 -0.09 0.00 0.01 -0.00 0.00 0.06 0.00 -0.07 -0.04 0.01 0.06 -0.02 -0.07 0.07 0.01 0.01 -0.01 -0.03 0.00 -0.01 0.05 0.00 0.03 0.00 -0.05 -0.03 0.03 -0.00 -0.02 0.00 -0.00 -0.02 0.00 0.01 0.07 0.01 0.02 -0.00 -0.00 -0.02 -0.02 -0.01 0.03 -0.03 -0.01 0.03 -0.02 -0.01 -0.03 -0.02 -0.01 0.07 -0.00 -0.06 -0.00 0.04 0.02 0.47 -0.25 0.10 0.22 0.01 0.12 -0.29 -0.04 -0.17 -0.06 -0.21 -0.03 0.13 0.22 0.09 0.07 0.00 -0.01 0.07 -0.10 0.02 0.23 0.11 -0.19 0.20 0.02 -0.09 -0.02 0.05 0.01 -0.07 -0.00 0.00 0.03 0.03 0.00 -0.00 -0.00 -0.03 0.00 0.04 0.06 0.02 0.03 0.03 0.00 0.01 -0.14 0.15 -0.01 0.04 -0.04 -0.03 -0.03 0.02 -0.01 -0.02 -0.04 0.00 -0.01 0.01 0.00 -0.00 0.27 -0.00 0.16 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.02 -0.00 -0.01 0.02 -0.00 -0.03 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.02 -0.01 -0.02 0.00 0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.01 0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 0.04 0.02 -0.02 0.00 0.01 -0.10 -0.07 -0.05 0.11 -0.06 -0.02 0.06 -0.05 -0.01 -0.04 -0.06 -0.03 -0.01 0.00 0.02 -0.02 0.20 0.10 -0.14 -0.01 0.05 -0.00 -0.01 -0.01 -0.02 0.01 -0.01 0.01 0.05 -0.00 -0.00 -0.06 -0.00 -0.08 0.04 -0.01 0.06 -0.01 0.01 -0.19 -0.03 0.08 0.05 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.02 0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.02 -0.00 -0.00 0.02 -0.07 0.00 0.00 0.40 0.23 0.17 -0.43 0.17 0.03 0.37 -0.19 -0.04 -0.31 -0.22 -0.16 -0.05 0.00 -0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.07 -0.02 -0.04 -0.04 0.00 0.03 -0.11 0.00 0.11 0.01 0.02 0.01 0.01 0.01 0.03 0.00 -0.02 0.01 -0.09 0.01 -0.03 0.02 -0.04 -0.02 -0.05 0.01 0.02 -0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.03 -0.02 0.08 -0.00 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.08 -0.00 0.02 0.01 0.04 0.13 -0.15 0.21 0.01 0.13 0.51 0.02 0.26 0.10 0.21 0.07 -0.05 -0.02 -0.03 0.37 -0.19 0.04 -0.27 0.12 -0.05 0.02 -0.01 0.02 0.07 0.01 -0.06 0.04 0.02 -0.01 0.04 -0.02 0.01 0.01 0.03 0.02 -0.01 -0.00 -0.01 0.00 0.01 0.01 -0.00 0.01 0.01 0.00 0.01 0.12 0.19 -0.01 -0.05 0.11 0.07 0.05 -0.12 0.06 0.01 0.13 -0.06 -0.01 -0.11 -0.07 -0.05 0.12 -0.00 0.05 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.05 0.01 0.00 0.02 -0.00 -0.02 0.07 -0.00 -0.07 -0.00 -0.04 -0.04 0.03 0.02 0.04 0.03 -0.01 0.04 -0.08 0.02 -0.04 -0.02 -0.09 -0.02 0.01 0.01 -0.00 -0.07 -0.00 0.03 -0.02 -0.01 -0.01 -0.01 -0.00 -0.02 0.02 0.03 -0.00 -0.06 0.00 0.06 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 0.06 0.00 -0.00 -0.00 0.07 0.21 -0.20 0.27 0.04 0.18 0.35 0.02 0.18 0.13 0.37 0.07 0.06 0.25 0.01 -0.16 0.10 -0.03 0.23 -0.16 0.06 0.16 0.05 -0.09 0.34 0.05 -0.20 0.06 0.04 -0.01 0.03 -0.02 0.01 0.02 0.04 0.03 0.03 -0.01 0.00 0.02 0.01 0.04 0.00 0.03 0.03 0.00 -0.00 0.13 -0.06 0.00 0.07 -0.06 -0.03 -0.03 0.03 -0.01 -0.01 -0.07 0.03 0.00 0.03 0.03 0.02 -0.09 0.00 -0.06 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.02 -0.00 0.01 0.00 -0.00 0.01 -0.03 0.00 0.02 -0.00 0.00 0.04 0.03 -0.01 -0.04 0.04 0.04 -0.03 -0.00 0.03 -0.01 -0.04 -0.12 0.01 0.00 -0.00 -0.00 0.05 -0.02 -0.04 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.02 0.05 0.04 0.03 -0.00 -0.02 -0.02 -0.01 -0.01 0.02 -0.00 -0.00 0.05 -0.02 -0.00 -0.04 -0.03 -0.02 -0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.36 -0.02 0.20 0.23 0.03 0.11 -0.19 -0.03 -0.09 0.10 0.32 0.05 0.20 0.44 0.09 0.00 0.00 -0.01 -0.09 0.08 -0.03 -0.25 -0.03 0.06 -0.20 -0.02 0.20 -0.02 -0.04 0.01 0.01 0.00 -0.00 -0.02 -0.02 -0.02 0.04 0.00 0.00 0.01 -0.02 0.01 0.01 0.01 -0.04 0.00 0.00 0.11 -0.01 -0.00 -0.04 -0.10 -0.06 -0.04 0.15 -0.07 -0.00 -0.17 0.09 0.02 0.18 0.11 0.08 0.03 -0.00 0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.02 0.00 0.01 0.02 0.00 -0.00 -0.01 -0.02 -0.02 -0.00 -0.01 0.06 0.07 0.02 0.01 -0.05 -0.07 -0.02 0.01 -0.02 0.01 -0.02 0.02 0.02 0.00 0.00 0.00 0.00 0.01 -0.00 0.02 -0.08 -0.04 0.02 -0.00 -0.01 0.03 0.01 0.01 -0.03 0.01 -0.00 -0.07 0.03 0.00 0.06 0.04 0.03 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.02 0.25 -0.21 -0.07 0.03 -0.03 -0.39 -0.02 -0.20 -0.00 0.08 -0.02 0.16 0.49 0.06 -0.10 0.07 -0.05 -0.06 0.06 -0.01 0.27 0.03 -0.08 -0.07 -0.02 -0.03 -0.02 -0.03 0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.01 -0.02 -0.01 0.04 0.03 -0.01 0.02 -0.03 -0.04 0.02 0.00 0.01 0.16 -0.01 0.00 -0.02 0.14 0.07 0.06 -0.18 0.07 0.01 0.25 -0.12 -0.02 -0.23 -0.14 -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 -0.02 0.04 0.01 0.02 0.02 -0.00 0.01 -0.05 0.00 0.03 0.03 0.02 0.00 -0.02 -0.02 -0.01 0.05 -0.08 0.02 0.05 -0.00 0.03 -0.02 0.04 -0.01 -0.01 -0.03 0.01 -0.07 -0.01 0.03 0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.07 0.01 0.05 -0.00 -0.04 -0.03 -0.01 -0.00 0.03 -0.01 0.00 0.06 -0.02 -0.00 -0.06 -0.03 -0.02 -0.02 0.00 -0.03 -0.00 0.01 0.01 -0.13 0.19 -0.18 -0.23 -0.00 -0.12 -0.19 0.02 -0.10 -0.05 -0.03 -0.08 -0.05 -0.09 -0.03 -0.13 0.09 -0.09 -0.10 0.13 -0.02 0.01 0.03 -0.02 0.59 0.10 -0.31 -0.02 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.02 0.00 0.01 -0.00 -0.01 -0.02 -0.01 -0.03 -0.01 0.00 0.01 0.31 -0.06 0.00 -0.09 -0.09 -0.04 -0.04 0.09 -0.02 -0.01 -0.20 0.09 0.01 0.15 0.10 0.07 0.02 -0.00 0.02 -0.00 0.00 0.00 0.02 -0.01 0.02 -0.00 -0.03 -0.04 -0.04 0.00 -0.01 0.04 -0.00 -0.02 -0.02 0.06 0.03 -0.00 -0.03 -0.02 0.03 -0.06 0.04 0.03 0.01 0.02 -0.02 -0.01 -0.02 -0.06 0.05 -0.02 -0.01 0.01 -0.00 0.02 0.02 0.00 0.00 0.01 0.01 0.00 0.01 0.00 -0.06 0.00 0.04 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.02 -0.01 -0.00 -0.02 -0.01 -0.01 0.04 -0.00 0.03 0.00 0.00 0.00 -0.11 0.21 -0.17 -0.09 0.00 -0.07 -0.16 -0.01 -0.07 -0.01 0.03 -0.01 0.03 0.13 0.00 0.58 -0.38 0.24 0.07 -0.13 0.02 -0.05 -0.03 0.05 0.13 0.03 -0.07 -0.06 -0.07 0.00 -0.05 0.01 0.03 -0.06 -0.08 -0.00 -0.01 0.02 -0.02 -0.00 -0.03 -0.04 -0.01 -0.04 -0.04 0.00 -0.00 -0.38 0.17 -0.01 0.12 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.05 0.03 0.01 0.04 0.03 0.02 -0.03 0.00 -0.06 -0.00 0.00 0.00 -0.04 0.01 -0.04 0.03 -0.00 -0.10 -0.09 0.00 -0.02 0.05 -0.00 -0.02 0.09 -0.02 0.02 -0.02 0.01 -0.01 -0.03 0.01 -0.03 0.01 0.00 0.01 0.00 0.01 0.01 -0.00 -0.02 0.04 0.02 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.10 0.01 0.06 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.10 -0.00 0.08 0.00 -0.00 -0.00 0.01 -0.06 0.03 -0.03 -0.00 -0.02 -0.04 -0.00 -0.02 -0.02 -0.06 -0.03 -0.03 -0.06 -0.00 0.13 0.04 -0.17 -0.27 0.26 -0.04 -0.06 -0.01 0.03 -0.04 -0.01 0.04 0.02 0.03 0.00 0.04 -0.00 -0.04 0.04 0.04 -0.02 -0.03 0.00 -0.01 -0.02 0.02 -0.02 0.01 -0.01 -0.02 0.00 0.01 0.66 0.38 -0.01 0.22 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.02 0.01 0.01 -0.14 0.00 -0.23 -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 -0.02 -0.03 0.00 0.01 0.01 -0.09 -0.05 0.05 0.00 0.00 -0.00 0.01 -0.01 -0.02 0.01 -0.01 0.01 0.09 0.05 -0.02 -0.02 -0.01 0.01 0.00 -0.00 0.02 -0.02 -0.00 0.01 0.01 -0.00 -0.00 -0.03 0.00 -0.00 0.02 0.01 0.01 0.04 -0.00 0.00 -0.03 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.50 0.23 -0.46 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.02 -0.08 -0.00 -0.01 0.16 -0.01 -0.11 0.07 -0.03 -0.00 -0.01 0.00 -0.39 -0.16 0.32 -0.11 0.01 0.09 0.09 0.06 0.00 0.07 0.00 -0.07 0.06 0.07 -0.04 0.02 0.03 -0.08 -0.06 -0.01 -0.08 0.04 0.02 -0.10 0.00 0.00 -0.02 -0.03 0.00 -0.02 0.01 0.02 0.02 0.01 0.01 0.02 -0.08 0.05 0.01 0.10 0.07 0.05 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.01 0.00 0.00 -0.02 0.01 0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.02 0.02 -0.02 -0.02 -0.01 0.01 -0.08 -0.04 0.05 0.01 0.00 0.08 0.00 0.01 0.00 0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.10 -0.03 0.08 -0.00 -0.01 -0.01 -0.04 0.00 -0.02 -0.00 0.01 -0.00 0.00 -0.03 0.00 0.07 -0.08 0.11 0.07 -0.11 0.01 0.09 0.04 -0.07 0.02 -0.01 -0.02 0.40 0.18 0.01 0.31 0.04 -0.31 0.23 0.27 -0.24 -0.01 0.12 -0.31 -0.16 -0.10 -0.28 0.07 -0.07 -0.30 -0.00 -0.01 0.07 -0.03 0.00 -0.01 -0.01 -0.02 -0.02 0.02 -0.02 -0.01 0.04 -0.03 -0.01 -0.04 -0.03 -0.02 0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.03 0.01 -0.03 -0.01 -0.00 0.03 0.03 -0.00 -0.00 -0.01 0.00 0.01 0.10 -0.05 -0.00 -0.03 0.01 -0.00 -0.03 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 0.06 -0.04 0.01 -0.00 -0.00 0.06 0.02 -0.03 0.01 0.00 0.05 -0.00 0.01 0.01 0.02 -0.00 -0.01 0.02 -0.00 0.00 -0.02 -0.00 -0.00 -0.02 -0.00 -0.00 0.02 -0.00 0.00 -0.03 -0.00 -0.02 -0.00 0.01 0.00 0.05 -0.03 -0.01 -0.01 0.02 0.03 0.02 0.03 -0.00 -0.01 -0.02 -0.03 -0.03 -0.00 -0.01 0.08 -0.14 0.23 0.30 -0.38 0.07 -0.05 -0.01 0.03 -0.06 -0.01 0.04 -0.29 -0.09 0.00 -0.21 -0.02 0.18 -0.14 -0.17 0.16 -0.02 0.08 -0.18 -0.10 -0.05 -0.17 0.04 -0.05 -0.16 0.00 0.01 0.51 -0.08 -0.00 -0.04 -0.02 -0.03 -0.02 0.04 -0.03 -0.01 0.04 -0.03 -0.01 -0.03 -0.03 -0.02 0.01 -0.00 0.04 -0.00 0.00 0.00 -0.02 0.00 -0.02 -0.00 -0.00 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.06 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.02 0.01 0.01 -0.00 0.01 0.00 -0.04 0.04 -0.03 0.01 0.01 -0.01 -0.04 -0.03 0.02 -0.01 -0.00 -0.10 0.00 -0.02 -0.01 0.01 -0.00 -0.01 -0.02 0.00 -0.00 0.02 0.00 0.00 0.02 0.00 0.00 -0.02 0.00 -0.00 -0.02 -0.00 -0.01 0.00 -0.01 -0.01 -0.02 -0.01 0.00 -0.03 -0.03 -0.06 -0.07 -0.05 -0.02 -0.02 -0.04 -0.02 -0.01 -0.01 -0.00 0.13 -0.14 0.16 0.23 -0.24 0.05 -0.02 -0.03 0.04 -0.07 -0.00 0.05 0.20 0.12 0.01 0.18 0.01 -0.17 0.13 0.16 -0.10 0.03 -0.15 0.38 0.21 0.10 0.36 -0.09 0.09 0.40 0.00 0.00 0.25 -0.03 -0.00 -0.02 0.03 0.04 0.02 -0.04 0.03 0.01 -0.04 0.03 0.01 0.03 0.04 0.02 0.01 -0.00 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.02 -0.03 -0.03 -0.01 -0.00 0.01 -0.01 -0.00 -0.03 -0.02 0.14 0.07 -0.00 -0.00 -0.00 0.14 -0.02 0.01 -0.13 -0.03 -0.03 -0.11 -0.04 -0.04 0.12 -0.03 0.00 0.00 -0.00 0.00 -0.02 0.12 0.06 0.05 0.05 -0.09 -0.00 -0.02 -0.04 -0.02 -0.03 0.00 -0.01 -0.01 -0.02 -0.02 0.01 -0.01 0.03 0.01 -0.05 0.02 0.05 0.01 -0.35 -0.10 0.16 0.22 0.08 0.04 0.05 0.02 -0.00 0.04 0.00 -0.03 0.03 0.03 -0.03 0.04 -0.07 0.16 0.06 0.06 0.12 -0.00 0.08 0.13 0.00 -0.00 -0.03 0.01 -0.00 0.00 -0.26 -0.27 -0.17 0.34 -0.25 -0.08 0.21 -0.20 -0.07 -0.17 -0.23 -0.14 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 -0.01 0.01 -0.01 0.00 -0.01 -0.01 0.03 0.01 0.02 -0.03 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.02 -0.00 -0.02 0.01 0.00 0.00 -0.02 -0.02 0.01 -0.00 0.18 0.04 -0.27 0.31 0.20 0.10 0.07 -0.06 0.03 0.00 0.04 0.07 0.15 -0.33 -0.05 -0.03 -0.07 0.21 0.05 0.02 -0.25 -0.20 -0.08 0.23 -0.24 0.43 -0.00 0.19 0.15 -0.27 0.00 0.01 0.02 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.00 0.04 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.06 -0.02 -0.02 0.01 -0.03 -0.01 -0.00 -0.00 0.03 -0.00 0.03 -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 -0.01 0.00 -0.00 0.00 -0.00 -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 -0.22 0.29 0.39 0.06 0.50 -0.17 0.01 -0.06 0.30 0.29 -0.09 0.04 0.02 -0.00 -0.03 0.06 0.02 0.02 -0.18 0.22 -0.14 -0.12 -0.16 -0.25 0.07 0.00 0.00 -0.04 0.03 -0.04 -0.02 -0.05 -0.08 0.02 -0.03 0.06 -0.01 0.04 0.01 0.03 0.05 0.01 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.00 0.10 -0.04 0.00 -0.03 -0.01 0.00 0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.06 -0.01 -0.02 -0.03 0.01 -0.03 0.02 -0.02 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.06 0.00 -0.07 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.00 0.02 0.00 -0.01 -0.00 0.00 -0.02 0.02 -0.02 0.04 0.05 0.02 0.06 -0.02 0.01 -0.01 0.09 0.09 -0.03 0.01 0.03 0.10 -0.29 0.47 0.20 0.13 0.18 -0.24 0.16 0.09 0.16 0.26 -0.01 0.27 0.04 -0.11 0.13 -0.24 -0.11 -0.15 0.07 0.19 0.02 -0.10 0.05 -0.20 -0.08 -0.03 0.03 0.10 0.00 0.00 -0.07 0.13 -0.01 -0.03 0.00 0.00 0.00 -0.03 0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.10 -0.01 -0.06 0.07 -0.00 0.04 0.03 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.02 -0.02 0.04 0.02 -0.00 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.03 -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 -0.08 0.00 -0.05 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.02 -0.03 -0.01 -0.03 0.01 -0.00 0.01 -0.10 -0.10 0.04 -0.01 0.42 0.01 -0.39 0.23 0.39 0.10 -0.08 0.12 -0.08 -0.09 -0.09 -0.12 -0.16 0.32 0.05 0.05 0.07 -0.21 -0.05 -0.02 0.26 0.08 0.01 -0.05 0.03 -0.10 -0.04 -0.02 -0.01 0.04 -0.00 -0.01 0.07 -0.10 0.01 0.03 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.00 0.19 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.05 -0.00 -0.05 0.03 -0.00 0.02 0.01 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.02 -0.01 -0.02 0.01 -0.02 0.02 0.00 0.01 -0.04 0.01 -0.05 -0.01 -0.01 -0.02 0.01 0.01 0.00 0.01 0.00 -0.01 0.02 -0.00 0.04 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.00 -0.02 0.00 -0.00 -0.00 -0.01 -0.03 0.02 -0.09 0.13 0.17 0.02 0.23 -0.08 0.01 -0.05 0.26 0.25 -0.09 0.04 0.07 -0.04 0.03 -0.13 0.00 -0.03 0.24 -0.37 0.26 0.20 0.25 0.39 -0.14 -0.00 0.00 0.20 -0.09 0.08 0.09 0.17 0.18 -0.14 0.02 -0.01 0.03 0.03 0.06 -0.05 -0.12 -0.04 -0.00 -0.00 0.04 -0.06 0.01 0.02 -0.01 -0.00 -0.00 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 0.00 0.07 0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 -0.00 0.05 -0.02 0.00 -0.02 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 -0.03 -0.00 -0.01 0.02 -0.00 0.02 -0.02 -0.01 -0.04 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.01 0.03 -0.04 -0.06 -0.03 -0.07 0.01 0.00 -0.00 0.06 0.05 -0.02 0.01 -0.02 0.03 -0.08 0.18 0.04 0.05 -0.10 0.14 -0.09 -0.08 -0.10 -0.15 -0.32 -0.08 0.00 0.46 -0.23 0.24 0.22 0.41 0.40 -0.08 0.02 -0.03 0.02 -0.01 0.03 -0.04 -0.10 -0.02 0.00 -0.00 -0.07 0.07 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.05 0.01 -0.05 0.03 -0.05 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.02 0.01 -0.03 0.14 -0.19 -0.29 -0.04 -0.36 0.12 0.01 -0.10 0.55 0.53 -0.20 0.07 0.03 0.00 -0.03 0.00 0.02 0.01 -0.03 0.06 -0.03 -0.01 -0.04 -0.07 0.05 -0.06 -0.01 -0.08 0.01 0.03 -0.03 -0.06 -0.08 0.11 0.00 -0.04 -0.00 -0.07 -0.05 0.02 0.06 0.04 -0.00 0.00 0.05 -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 0.01 -0.00 0.02 -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 0.00 -0.01 0.01 0.00 0.02 -0.03 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.00 0.02 -0.03 -0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.03 -0.04 -0.06 -0.01 -0.08 0.03 0.01 0.00 0.08 0.07 -0.02 0.01 -0.09 -0.01 0.10 -0.07 -0.10 -0.03 -0.02 0.03 -0.02 -0.00 -0.02 -0.03 -0.14 0.44 0.07 -0.00 0.13 -0.33 -0.12 -0.11 0.28 -0.34 -0.05 0.22 -0.17 0.42 0.09 0.10 -0.01 -0.29 -0.00 -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 -0.03 0.00 -0.05 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.02 -0.02 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.04 -0.03 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.04 0.02 0.01 -0.01 0.03 -0.02 0.00 0.00 -0.02 -0.02 0.01 -0.00 -0.03 -0.03 0.09 -0.11 -0.07 -0.03 0.07 -0.03 0.00 0.03 0.03 0.03 -0.13 0.06 0.02 0.13 -0.03 -0.00 0.04 0.09 0.16 0.51 -0.12 0.17 -0.24 0.04 -0.28 0.31 0.58 0.07 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.02 0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.13 -0.01 -0.02 0.00 -0.00 0.00 0.04 0.09 0.05 0.06 -0.08 -0.03 0.14 -0.10 -0.03 0.11 0.10 0.07 0.00 -0.00 0.00 -0.13 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.01 0.04 0.00 0.01 0.02 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 0.03 -0.01 0.01 -0.02 0.00 -0.02 0.02 0.03 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.39 -0.15 -0.13 -0.41 0.11 -0.00 -0.48 0.17 0.02 -0.42 -0.21 -0.17 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.13 -0.00 -0.00 -0.09 0.00 -0.08 -0.15 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 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.26 -0.01 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 0.20 -0.00 0.16 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.21 -0.03 -0.14 0.25 0.10 0.07 -0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.01 -0.02 -0.00 0.03 -0.02 0.03 0.03 0.04 0.01 0.02 0.01 -0.02 0.02 -0.03 -0.00 -0.01 -0.01 0.02 0.01 0.00 -0.03 -0.54 0.02 -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 -0.31 0.01 -0.48 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.01 -0.04 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.33 0.16 -0.00 0.00 -0.00 -0.09 -0.20 -0.11 0.12 -0.19 -0.08 -0.11 0.19 0.08 0.08 0.21 0.12 -0.00 0.00 -0.00 0.03 -0.32 -0.16 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 0.01 -0.02 -0.00 -0.00 -0.28 0.01 0.03 0.18 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 0.02 -0.00 0.02 -0.01 -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.31 0.03 0.06 -0.31 -0.01 -0.05 0.28 0.04 0.06 -0.32 -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 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.25 0.00 -0.03 0.00 0.00 0.00 0.30 0.10 0.09 0.32 -0.08 0.00 -0.27 0.04 -0.02 -0.24 -0.06 -0.06 0.00 -0.00 0.00 0.11 0.00 0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.00 0.03 -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 0.01 -0.00 0.00 0.00 -0.31 -0.28 -0.18 -0.38 0.23 0.06 0.21 -0.18 -0.06 0.15 0.19 0.12 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.02 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.07 0.04 0.04 -0.02 -0.08 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 0.00 -0.06 0.04 -0.43 0.12 0.56 0.25 0.47 -0.37 0.10 -0.01 -0.13 -0.04 0.07 0.04 -0.04 -0.08 0.05 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.04 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.11 -0.30 0.20 0.24 -0.16 -0.48 -0.08 0.03 0.01 0.01 -0.00 -0.02 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.03 0.01 0.03 0.01 0.02 -0.02 0.01 0.05 0.53 0.17 -0.26 -0.15 0.16 0.26 -0.16 0.07 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.04 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.02 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.05 0.05 0.12 0.32 -0.21 -0.24 0.16 0.48 0.12 -0.04 -0.02 -0.01 -0.00 0.05 0.00 0.01 0.00 0.00 0.00 -0.01 -0.02 -0.07 -0.07 -0.03 0.08 -0.03 -0.01 0.01 -0.10 0.03 0.12 0.05 0.12 -0.09 0.02 0.04 0.47 0.15 -0.24 -0.14 0.15 0.25 -0.15 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 0.02 0.04 0.04 -0.01 -0.00 0.01 -0.02 0.01 -0.04 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.19 -0.45 -0.46 0.02 0.08 -0.05 0.04 -0.03 -0.08 0.38 -0.11 -0.07 -0.13 -0.03 0.54 0.01 0.02 0.01 0.00 -0.00 -0.01 0.04 0.13 0.13 0.04 -0.11 0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.03 0.01 -0.00 -0.00 -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 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.04 0.05 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 -0.07 -0.16 -0.16 -0.01 -0.03 0.02 0.02 -0.01 -0.05 0.01 -0.00 -0.00 -0.01 -0.00 0.04 -0.01 -0.02 -0.01 -0.01 0.00 0.04 -0.08 -0.31 -0.29 -0.27 0.76 -0.29 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.08 -0.03 0.00 0.00 0.00 -0.03 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -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 -0.02 -0.04 -0.04 -0.01 -0.00 0.02 -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.18 0.45 0.45 0.03 0.09 -0.05 0.11 -0.07 -0.21 0.39 -0.11 -0.07 -0.12 -0.03 0.52 -0.02 -0.03 -0.02 -0.00 0.00 0.01 -0.03 -0.10 -0.10 -0.02 0.05 -0.02 0.00 -0.00 0.01 -0.01 -0.03 -0.01 0.00 -0.00 0.00 -0.00 -0.05 -0.02 0.02 0.01 -0.01 -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 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 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 0.04 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.03 0.21 0.62 -0.38 0.18 -0.14 -0.37 -0.42 0.12 0.06 -0.00 -0.00 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.03 0.03 -0.01 0.02 -0.01 0.00 0.00 0.00 -0.02 -0.10 -0.05 0.11 -0.09 0.02 0.01 0.05 0.02 0.03 0.01 -0.02 -0.06 0.04 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.06 -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 0.01 0.02 0.02 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.02 0.34 0.77 0.41 0.09 -0.02 -0.32 -0.01 -0.04 -0.04 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 0.03 0.02 -0.04 0.03 -0.01 -0.00 -0.05 -0.02 -0.02 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.08 -0.02 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.04 0.12 -0.07 0.03 -0.02 -0.06 -0.11 0.03 0.02 -0.01 -0.00 0.06 -0.03 -0.06 -0.03 -0.00 0.00 0.02 -0.00 -0.01 -0.01 0.01 -0.02 0.01 0.02 -0.03 0.08 0.15 0.62 0.28 -0.51 0.39 -0.12 -0.01 -0.09 -0.03 -0.06 -0.03 0.04 0.09 -0.05 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 -0.06 0.01 0.05 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.01 -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 -0.01 -0.01 0.06 0.18 -0.11 0.09 -0.07 -0.19 0.57 -0.17 -0.08 0.11 0.03 -0.54 0.02 0.03 0.02 -0.00 0.00 0.01 0.03 0.11 0.11 -0.03 0.09 -0.04 0.01 -0.01 0.04 0.02 0.10 0.04 -0.06 0.05 -0.02 0.02 0.25 0.08 0.18 0.09 -0.12 -0.19 0.10 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.03 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.01 -0.00 -0.01 -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 0.02 0.04 0.05 -0.04 -0.13 0.08 -0.07 0.05 0.14 -0.27 0.08 0.04 -0.06 -0.02 0.28 0.02 0.04 0.02 -0.00 0.00 0.02 0.03 0.12 0.12 -0.04 0.11 -0.05 -0.00 -0.00 0.00 0.02 0.08 0.03 -0.07 0.05 -0.02 0.05 0.51 0.17 0.38 0.20 -0.24 -0.35 0.19 -0.10 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.07 -0.03 0.01 0.00 0.02 -0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.09 0.10 -0.00 -0.00 0.00 -0.01 0.00 0.02 -0.02 0.01 0.00 -0.01 -0.00 0.03 0.01 0.03 0.02 -0.00 -0.00 0.01 0.16 0.52 0.53 -0.13 0.36 -0.15 -0.02 0.02 -0.21 -0.02 -0.07 -0.03 -0.05 0.04 -0.01 -0.02 -0.14 -0.05 0.02 0.02 -0.02 0.31 -0.18 0.09 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.03 0.01 -0.08 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.03 0.03 -0.01 -0.03 0.02 -0.01 0.01 0.02 -0.02 0.01 0.00 -0.00 -0.00 0.02 0.01 0.01 0.01 0.00 -0.00 -0.00 0.04 0.13 0.13 -0.03 0.09 -0.04 0.10 -0.09 0.85 0.04 0.21 0.08 0.28 -0.23 0.05 -0.00 -0.04 -0.01 -0.02 -0.01 0.01 0.06 -0.03 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.09 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.03 0.01 0.02 -0.01 0.02 -0.01 -0.03 0.01 -0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.06 -0.18 -0.19 0.04 -0.10 0.04 0.00 -0.00 0.03 -0.00 0.00 -0.00 0.02 -0.02 0.00 -0.02 0.03 0.01 0.52 0.30 -0.34 0.54 -0.33 0.16 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.09 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.12 0.26 0.13 -0.26 0.01 0.91 -0.00 -0.01 -0.01 0.02 -0.04 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.05 -0.06 -0.02 -0.00 -0.00 -0.00 0.01 0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 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 -0.01 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 -0.56 0.73 0.29 0.02 0.03 0.02 -0.09 -0.19 -0.11 -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 -0.03 -0.07 -0.04 -0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.01 0.37 0.76 0.44 0.01 0.03 0.02 0.16 -0.21 -0.08 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 -0.04 -0.02 0.04 -0.05 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 0.09 0.04 0.08 0.16 0.09 0.23 0.47 0.26 -0.46 0.58 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 0.01 -0.01 -0.00 0.01 0.01 0.01 -0.03 -0.05 -0.03 -0.03 0.04 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.12 0.15 0.06 -0.07 -0.15 -0.08 0.31 0.62 0.35 0.34 -0.43 -0.17 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.07 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 -0.00 -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 0.77 -0.02 -0.63 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.00 -0.09 -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 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.01 0.95 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.00 -0.02 0.00 0.00 0.00 -0.06 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.97 -0.24 -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 17 8 7 7 7 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 1 298.150 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 17 8 7 7 7 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 34.96885 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 319.14514 0.99999 0.00411 -2.2E-4 -0.00411 0.99986 0.01615 2.9E-4 -0.01615 0.99987 asymmetric 1 0.03429 0.00496 0.00472 0.71451 0.10336 0.09845 970777.5 26.55 50.16 64.15 82.89 105.26 134.89 158.69 183.83 211.40 238.81 320.27 371.74 404.73 412.44 432.86 460.35 463.80 498.78 507.79 539.01 562.34 564.39 577.51 596.04 604.34 640.37 702.43 721.28 773.45 795.31 880.65 925.58 929.52 936.27 970.36 988.79 996.50 1050.31 1106.51 1147.34 1183.36 1203.45 1227.96 1231.58 1274.53 1290.10 1309.68 1313.48 1338.33 1345.79 1369.47 1377.76 1388.85 1419.75 1429.70 1454.57 1474.11 1476.28 1485.34 1512.32 1542.72 1568.21 1570.08 1606.03 1624.25 1636.67 1661.61 1726.34 1730.32 1745.76 1751.88 1758.90 1767.34 1779.40 1783.91 1838.43 1856.72 1871.74 1898.47 1909.54 1919.55 1927.44 1934.64 1947.22 1970.51 1986.76 1998.71 2019.54 2042.71 2048.49 2063.81 2129.56 2134.43 2138.10 2141.76 2142.38 2145.77 2153.97 2160.65 2171.28 2179.53 2215.48 2318.50 2340.50 4352.14 4364.79 4372.87 4384.41 4391.81 4401.21 4421.05 4431.57 4436.10 4450.38 4453.09 4467.16 4469.42 4487.51 4553.35 4559.89 4566.08 4603.15 4604.70 4694.85 4716.52 5229.62 0.369750 0.389633 0.390578 0.320171 -1360.695508 -1360.675624 -1360.674680 -1360.745087 244.499 79.428 148.183 0.000 0.000 0.000 0.889 2.981 43.177 0.889 2.981 35.046 242.721 73.466 69.960 1 0.593 1.986 6.794 2 0.594 1.983 5.532 3 0.595 1.980 5.044 4 0.596 1.974 4.537 5 0.599 1.967 4.067 6 0.603 1.954 3.580 7 0.606 1.941 3.264 8 0.611 1.925 2.979 9 0.617 1.906 2.712 10 0.624 1.884 2.481 11 0.648 1.807 1.938 12 0.667 1.749 1.673 13 0.681 1.708 1.526 14 0.684 1.698 1.494 15 0.693 1.672 1.412 16 0.706 1.635 1.310 17 0.707 1.631 1.298 18 0.725 1.582 1.181 19 0.729 1.569 1.153 20 0.746 1.524 1.061 21 0.759 1.490 0.997 22 0.760 1.487 0.991 23 0.767 1.467 0.958 24 0.778 1.439 0.912 25 0.783 1.427 0.892 26 0.804 1.372 0.811 27 0.844 1.276 0.688 28 0.857 1.247 0.655 29 0.893 1.167 0.571 30 0.908 1.134 0.538 31 0.971 1.006 0.429 0.637587e+23 22.804539 52.509392 0.279519e+08 7.446412 17.145997 0.100000e+01 0.000000 0.000000 0.224097e+09 8.350436 19.227590 0.101787e+08 7.007691 16.135805 6 water ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1361.0652576 3.258E-9 8.377E-6 0.3697496 0.3896334 -1360.6756243 -1360.6746801 -1360.7450866 -1.8147563,-6.4513996,8.2661559,-18.421607,-0.9988266,-6.2442846 C01 [X(C17H22Cl1N3O1)] 0.2252174 -0.0637824 -1.636379 -0.5967992 -0.4776673 -0.2307969 -0.4863492 -0.6487677 -0.2040897 -0.2401393 -0.2099168 -0.2238204 -0.9049092 -0.0982187 0.1753732 -0.1292797 -1.0399258 0.2037823 0.1755802 0.2221974 -1.2364625 -0.4490333 -0.3544799 -0.1746888 -0.2934222 -0.6442879 -0.2051552 -0.0276126 -0.0449285 -0.0125517 -0.2092424 0.0976853 -0.0177162 -0.0463071 -0.4891056 -0.1832458 -0.2024971 -0.4350701 -0.7699878 -0.6612027 -0.3455998 0.0246938 -0.2403076 -0.7535621 -0.0633595 0.0767468 -0.0163572 -0.7132057 0.3873628 -0.0588673 -0.1974432 0.0269142 0.5894907 -0.2180947 -0.0192176 -0.1689878 0.933636 0.1238649 0.0411473 -0.0876877 0.013206 0.0656058 0.0201283 -0.0247128 -0.003511 0.1178197 0.1552773 0.012928 0.0253059 -0.0626549 0.0126446 -0.0332662 -0.2319916 -0.2440094 0.1598191 0.1163857 0.0003759 -0.0608312 -0.0501279 0.0564378 -0.0720624 -0.043777 -0.0583616 0.0901821 0.017329 -0.0052616 -0.0337701 0.0342667 0.0123639 -0.0714183 0.0133374 0.008092 0.1434094 0.4232978 0.3026699 0.1844731 0.2565022 0.5820388 0.0465933 0.0768993 0.0877634 0.1149532 0.0386726 -0.1294356 0.0234 -0.0973543 0.0493739 -0.0234003 0.1101659 0.0701612 0.150537 -0.0093637 -0.0333067 0.045158 -0.0086147 0.0957186 0.0262883 -0.0087136 0.0288242 0.0626356 0.0562785 0.0087967 0.0157887 -0.0125026 0.0838154 0.0037406 0.0304344 0.0082966 -0.046244 0.1994602 0.2639322 0.0977655 0.294805 0.2147758 0.06376 0.1200734 0.084099 -0.0861081 0.4119982 0.4181112 0.1349366 0.359437 0.5927775 0.2109294 0.1312685 0.2691462 0.2860487 -0.1333524 -0.0527767 0.0744919 -0.0236687 0.0218881 -0.0592302 0.0406866 -0.1167629 -0.0886125 -0.0642786 -0.0345585 0.1038343 -0.0877538 -0.0724154 -0.0694698 0.095011 -0.0512197 -0.0630744 -0.1694023 -0.1144995 0.0181489 -0.1144207 -0.2134411 -0.0703338 0.0208931 -0.0680231 -0.1097672 -0.2232384 -0.0944097 -0.0271561 -0.1002005 -0.1242935 -0.0812962 -0.0290679 -0.0776577 -0.1422195 0.1803292 0.1574958 -0.0939025 0.1610979 0.1800836 0.0798668 -0.0840345 0.0717664 0.7118327 0.6677343 0.6643973 0.3690045 0.6749462 0.7876996 0.2730596 0.369527 0.2699351 0.1524475 -0.0783626 0.0356071 -0.1087417 0.0405465 0.0216274 0.0643933 -0.1246058 0.052884 -0.1213555 -0.2035904 0.1426542 0.0354679 0.0752577 -0.0012401 -0.0345051 0.0526804 -0.0498531 0.0469488 0.0426061 -0.0659763 0.0589232 -0.0364001 -0.043364 0.0916508 0.0326501 0.1398795 -0.1555037 0.0384946 -0.1146418 -0.0376071 -0.1318977 -0.1897644 -0.0408065 -0.0327334 -0.0093822 0.0653694 -0.031479 0.0092346 0.1013932 0.0230146 0.0911086 0.0232289 0.0837506 -0.0153604 -0.1964591 -0.0489721 -0.0324427 -0.0952433 0.0332859 -0.0611458 0.0420485 -0.140042 0.0081246 0.034569 0.0954275 -0.0573585 0.0193356 -0.0390191 0.0660548 -0.0440324 0.084445 0.0118585 -0.0302557 0.0170632 -0.0113342 -0.0975941 0.015412 0.0294742 0.0840396 -0.0920516 0.031944 -0.1079163 -0.0521488 0.0767798 0.0322802 0.0513649 -0.1369036 -0.0845608 0.0139971 -0.0762477 0.0516722 0.0338884 -0.0220887 0.0794339 -0.0074256 0.0722934 -0.0564552 0.1205565 -0.0413529 -0.1657998 -0.1035775 0.0653017 -0.1122069 0.1009708 0.0199225 0.0867933 -0.1373818 0.0899332 -0.0098703 0.0433339 -0.0350897 0.0068535 -0.0794392 -0.210045 -0.0515837 0.0156604 -0.0630705 0.079976 -0.0413036 0.1214717 -0.123548 0.1225167 -0.0152679 0.1081666 -0.0895324 0.0639336 -0.0379243 -0.1593479 -0.0632351 0.114332 -0.0687775 0.0746962 0.0249089 0.0871122 0.0116789 0.0308843 0.0799969 -0.064611 -0.0014959 -0.058828 -0.1830604 -0.1294396 -0.0079294 -0.0820289 0.0268612 0.3914148 -0.0163765 0.0099106 0.0253856 0.7316831 0.1239863 0.0297221 0.0693662 0.4166891 0.1546694 -0.0606824 0.0255983 -0.0493965 0.1536738 0.0013858 0.0387351 0.0288498 0.1192333 0.1326832 -0.0123732 -0.0395524 -0.0073132 -0.0831381 0.0741677 -0.038495 0.0692944 0.1279272 0.0146878 0.0166469 -0.1395118 0.0103588 0.0943036 0.0334452 -0.1355318 0.0412321 0.0596895 0.0473171 0.0105592 -0.1181034 -0.0026754 0.1244532 0.0225058 -0.1179739 0.0277979 0.0958487 0.1505031 -0.0238906 -0.0274894 -0.0180305 -0.0341959 0.0618747 -0.0357429 0.0489336 0.1540241 0.1195276 -0.0666127 0.0491838 -0.0671217 0.1199199 0.025061 0.043851 0.0161097 0.0841246 328.4053717|52.9144038|356.7299171|32.9865507|4.4965374|303.3339989 0.000012955 0.000020191 0.000014700 -0.000011809 -0.000006826 0.000014093 -0.000013841 -0.000015066 -0.000018710 -0.000000984 -0.000016834 -0.000013640 0.000009169 -0.000007071 -0.000000029 0.000015773 0.000011083 -0.000018809 -0.000001221 -0.000000116 0.000008541 -0.000009562 -0.000024585 0.000001227 0.000001299 -0.000012007 0.000001744 -0.000004895 0.000009380 -0.000002079 -0.000004424 0.000008408 0.000004238 -0.000007285 -0.000006162 0.000009596 0.000011095 -0.000003196 -0.000004394 0.000005270 0.000001315 0.000001533 0.000000826 0.000015760 -0.000002540 0.000002630 0.000006060 0.000027653 -0.000000132 -0.000004405 0.000007052 -0.000008180 -0.000010944 -0.000000568 0.000008894 -0.000000209 0.000013508 0.000009600 0.000018789 0.000006834 0.000016919 0.000024547 -0.000011303 -0.000022602 -0.000010502 -0.000006933 0.000001036 -0.000000950 0.000001833 -0.000002870 0.000001764 -0.000005545 -0.000002780 0.000004810 -0.000002473 -0.000003460 -0.000000900 0.000003207 -0.000002014 0.000002500 0.000001367 0.000003351 -0.000000089 -0.000000773 0.000010061 -0.000000650 -0.000000320 0.000000352 0.000001525 -0.000003423 0.000000713 0.000002328 -0.000006478 -0.000002041 -0.000001906 -0.000000224 -0.000003288 -0.000001706 -0.000005101 -0.000003738 -0.000001873 -0.000003533 0.000001089 0.000000495 -0.000006573 0.000004592 -0.000000549 -0.000002564 0.000002319 -0.000001127 -0.000003360 0.000000061 0.000004126 -0.000001968 0.000001564 -0.000001287 -0.000007391 -0.000003324 -0.000000798 0.000003804 -0.000002579 0.000000602 0.000000309 -0.000004587 0.000001406 0.000006058 -0.000004221 -0.000001021 0.000005249 0.000000268 -0.000004309 -0.000003816 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 27-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C17H22ClN3O)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/metconazole_trans/water/CONF1 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction metconazole_trans CONF16 water 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 35 16 14 14 14 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 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 646 A 624 A 624 985 646 85 85 1943.7050249301 44 44 44 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 -0.0559624325 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 8.860126 0.000000 10.323992 2.929568 0.000000 11.049164 2.802869 1.364200 0.000000 12.466589 4.779684 2.195451 2.256246 0.000000 8.318100 1.448656 2.513115 3.064618 4.535162 0.000000 8.938116 2.495258 3.182880 3.750919 4.697470 1.586887 0.000000 6.778548 2.351031 3.884005 4.493438 5.997981 1.553089 2.497790 0.000000 8.014238 3.172821 4.644258 5.152206 6.262098 2.472604 1.566544 2.430576 0.000000 6.848961 2.832256 4.899637 5.333847 6.835185 2.392958 2.501853 1.539125 1.538636 0.000000 8.860880 2.417739 1.465459 2.474898 3.623112 1.537623 2.658084 2.568632 3.834557 3.802619 0.000000 6.073044 3.767387 4.444416 5.381044 6.494544 2.629637 3.282935 1.547377 3.174269 2.569864 3.018749 0.000000 10.310790 2.780341 3.418460 3.509562 4.368080 2.594412 1.537684 3.780257 2.558772 3.572225 3.500484 4.778254 0.000000 9.333995 3.817907 3.351004 4.287930 4.509929 2.611199 1.541700 3.389510 2.540147 3.626409 2.966686 3.516076 2.483691 0.000000 4.562508 4.841770 5.874465 6.733381 7.968049 3.948518 4.597476 2.530990 4.089689 3.136218 4.418514 1.510792 6.066963 4.904720 0.000000 11.262346 4.186066 1.341049 2.204325 1.329550 3.612694 3.869779 4.962027 5.406233 5.916940 2.531588 5.276516 3.965028 3.538693 6.751412 0.000000 4.027063 5.266322 6.374418 7.121747 8.526913 4.631490 5.599089 3.230239 5.204077 4.015611 4.921757 2.527537 6.990421 6.037189 1.400330 7.347929 0.000000 4.028443 5.817704 6.959286 7.840509 8.975794 4.895528 5.175412 3.491212 4.323368 3.547452 5.545408 2.535904 6.632990 5.374345 1.398316 7.752895 2.402146 0.000000 2.734697 6.490974 7.759881 8.468431 9.917173 5.951480 6.850367 4.485082 6.264578 5.007973 6.310155 3.816745 8.229740 7.304493 2.435662 8.739882 1.392946 2.787942 0.000000 2.734170 6.952014 8.253839 9.089164 10.311595 6.163132 6.507026 4.680162 5.548709 4.638716 6.814549 3.824088 7.927186 6.763257 2.435825 9.088440 2.787982 1.395192 2.426706 0.000000 12.282412 4.032656 2.102417 1.322818 1.358943 4.198521 4.565094 5.690608 6.061189 6.462438 3.513411 6.473965 4.056640 4.826893 7.887866 2.100599 8.338427 8.953585 9.703386 10.244119 0.000000 1.771177 7.223829 8.582740 9.346113 10.713949 6.590813 7.220438 5.064938 6.390498 5.250649 7.118464 4.301902 8.624534 7.595628 2.791331 9.505477 2.396059 2.396130 1.391611 1.389535 10.559663 0.000000 6.533269 2.398369 4.198570 4.624227 6.374602 2.152142 3.416844 1.093020 3.380136 2.193282 2.903616 2.143377 4.509890 4.394624 2.697311 5.405101 2.892513 3.833039 4.094347 4.813294 5.910311 4.898471 0.000000 8.668873 3.622833 5.309783 5.616018 6.732344 3.273740 2.212620 3.363704 1.092511 2.194795 4.692658 4.237586 2.554332 3.231315 5.039401 6.040085 6.114728 5.141519 7.088968 6.261624 6.440343 7.133310 4.187449 0.000000 7.761231 4.130782 5.190577 5.896849 6.743771 3.175303 2.188461 2.922694 1.093319 2.168648 4.313125 3.128508 3.307764 2.486570 3.933243 5.786408 5.215976 3.898320 6.208912 5.141671 6.736668 6.156998 3.955753 1.756065 0.000000 5.972705 3.872578 5.870166 6.381861 7.836269 3.379343 3.430845 2.202668 2.202532 1.091834 4.670003 2.714178 4.557435 4.326550 2.757088 6.851334 3.682664 2.801240 4.447408 3.743830 7.519243 4.452825 2.707361 2.742084 2.396005 0.000000 7.280813 2.587830 5.166073 5.323643 7.055930 2.743289 2.988608 2.162677 2.177077 1.091969 4.218023 3.476531 3.660820 4.356667 3.940132 6.287680 4.566087 4.400942 5.470010 5.332927 6.481277 5.788850 2.400082 2.403470 3.036444 1.759807 0.000000 8.554794 2.632689 2.081625 2.783011 4.186760 2.151153 3.571230 2.748591 4.547262 4.162373 1.091432 3.175756 4.400135 4.009904 4.352297 3.201884 4.537684 5.632555 5.891696 6.781158 3.917799 6.869316 2.667231 5.416887 5.065049 4.950550 4.467285 0.000000 8.688637 3.376899 2.052217 3.322769 3.892867 2.186850 2.913172 2.875581 4.011528 4.119909 1.086498 2.757592 3.973300 2.677211 4.193617 2.608211 4.827281 5.239949 6.210961 6.541996 4.137096 6.933343 3.390120 4.970902 4.215118 4.838967 4.760965 1.767455 0.000000 6.520969 4.236086 4.624881 5.667322 6.484198 2.922401 3.036370 2.185001 2.867577 2.774351 3.346553 1.090593 4.572600 2.896796 2.132694 5.247172 3.395544 2.624051 4.556533 4.010657 6.627381 4.778680 3.057733 3.932968 2.493887 2.868914 3.823792 3.795135 2.864103 0.000000 6.507651 3.991610 4.051147 5.094171 6.070227 2.843104 3.736226 2.172623 4.012127 3.500505 2.639391 1.092710 5.167510 3.768108 2.125778 4.808247 2.713919 3.307709 4.063574 4.487716 6.139402 4.766716 2.502761 5.091766 4.008066 3.769893 4.304617 2.615970 2.207813 1.758814 0.000000 10.323009 2.513106 3.942695 3.721207 4.975994 2.861113 2.192305 3.899467 2.781891 3.492683 3.970551 5.146006 1.091128 3.457200 6.297891 4.692127 7.105979 6.874557 8.279852 8.081903 4.381095 8.697417 4.446291 2.526581 3.733095 4.492933 3.251754 4.690238 4.634810 5.105657 5.612710 0.000000 10.810888 3.838493 4.302109 4.458149 4.947784 3.535826 2.160676 4.562091 2.821289 4.124789 4.420310 5.406035 1.093964 2.660550 6.650189 4.611189 7.698428 7.030188 8.894576 8.318835 4.806771 9.149991 5.393852 2.551111 3.335299 4.978433 4.282810 5.384795 4.721602 5.008228 5.873419 1.766390 0.000000 11.009359 2.982631 2.784297 2.742913 3.353611 2.869955 2.193225 4.303239 3.523496 4.414246 3.311923 5.239537 1.094121 2.768729 6.631651 3.154913 7.469986 7.337036 8.775325 8.663270 3.054873 9.288678 4.937754 3.639429 4.210584 5.443646 4.495905 4.215887 3.827367 5.085853 5.416817 1.771180 1.765879 0.000000 9.769215 4.627049 4.334439 5.166865 5.211277 3.537932 2.159286 4.182939 2.712299 4.072856 4.051027 4.275281 2.745365 1.093896 5.527892 4.381577 6.766917 5.754662 7.954744 7.106452 5.577951 8.080960 5.237477 3.133260 2.416360 4.649870 4.794813 5.093810 3.752494 3.491040 4.665965 3.719842 2.466067 3.176913 0.000000 8.587918 4.219673 3.693324 4.818372 5.051769 2.823976 2.207440 3.192391 2.846457 3.642993 2.981084 2.843405 3.463273 1.091006 4.181175 3.898119 5.349253 4.629042 6.591251 6.017360 5.451454 6.852875 4.201593 3.742108 2.518001 4.153982 4.549002 3.896289 2.372608 2.076327 3.030068 4.345262 3.703021 3.757499 1.761626 0.000000 10.181879 4.066815 2.796052 3.776369 3.559351 2.978681 2.198419 4.057278 3.507886 4.512601 2.860889 4.201996 2.683549 1.091537 5.669260 2.641338 6.691902 6.275363 8.016364 7.670533 4.076296 8.423570 4.947361 4.120280 3.570263 5.299681 5.142034 3.941752 2.555400 3.694671 4.201516 3.731076 2.909460 2.518037 1.758835 1.767877 0.000000 9.781033 0.971902 2.461492 1.975790 4.045926 1.982240 2.828986 3.206546 3.819019 3.732433 2.474822 4.503351 2.706888 4.001224 5.682672 3.668911 6.090041 6.693887 7.349716 7.864135 3.156996 8.131573 3.266928 4.181138 4.763251 4.797617 3.487217 2.742074 3.507603 4.902573 4.575534 2.475838 3.793463 2.563273 4.814798 4.539176 4.000778 0.000000 11.122525 4.850668 2.127843 3.231980 2.153547 3.992803 4.111226 5.162380 5.568321 6.150029 2.854471 5.166537 4.451917 3.387009 6.624897 1.077922 7.298240 7.549705 8.673495 8.890274 3.156368 9.369217 5.709057 6.288802 5.747617 6.983737 6.684407 3.564789 2.490218 4.993194 4.630414 5.314457 4.960050 3.778375 4.178311 3.534065 2.447439 4.489707 0.000000 4.875858 4.898857 5.850589 6.527627 7.996918 4.392629 5.601128 3.198052 5.470953 4.277016 4.455808 2.725644 6.910165 6.094080 2.153602 6.867957 1.084958 3.388333 2.141214 3.872914 7.750434 3.377163 2.617167 6.401997 5.638772 4.200022 4.707725 3.868831 4.470989 3.743633 2.575961 7.003318 7.728878 7.255165 6.948217 5.472754 6.605088 5.634304 6.895084 0.000000 4.877006 5.908540 6.940108 7.862635 8.831518 4.877473 4.819186 3.655103 3.866124 3.459228 5.614145 2.740151 6.249608 4.862068 2.151417 7.622587 3.388238 1.084513 3.872430 2.142903 8.892406 3.376508 4.259454 4.628229 3.217393 2.725671 4.417120 5.904092 5.236316 2.393221 3.609319 6.577806 6.493333 7.009096 5.064880 4.138641 5.830441 6.747627 7.363922 4.289426 0.000000 2.872404 7.043036 8.309089 8.941750 10.465103 6.641364 7.680441 5.236617 7.173522 5.844883 6.897544 4.683866 9.011103 8.190764 3.417267 9.324957 2.157128 3.870743 1.082812 3.406175 10.191111 2.154290 4.668891 7.983927 7.200123 5.351118 6.185427 6.333138 6.864452 5.509840 4.784001 9.004939 9.741551 9.500850 8.900524 7.497519 8.840768 7.864865 9.303052 2.472658 4.955221 0.000000 2.873491 7.781302 9.111800 9.961155 11.118347 6.973002 7.129847 5.528885 6.037341 5.275077 7.699398 4.693315 8.514703 7.319592 3.416719 9.896243 3.870775 2.158552 3.406914 1.082797 11.087203 2.153064 5.755202 6.643866 5.509885 4.289914 5.966920 7.749598 7.388012 4.697182 5.413310 8.677931 8.792024 9.314680 7.520675 6.586162 8.277888 8.699530 9.657646 4.955700 2.473824 4.298867 0.000000 13.145141 4.637340 3.142207 2.101646 2.153198 5.044506 5.371601 6.532274 6.810908 7.203582 4.499473 7.431967 4.634234 5.747321 8.815997 3.143561 9.221992 9.883448 10.565349 11.155118 1.078875 11.443170 6.682571 7.066253 7.557382 8.282535 7.092612 4.820505 5.190873 7.614665 7.135921 4.788817 5.327619 3.623793 6.420884 6.445978 5.016749 3.686680 4.170551 8.605029 9.829686 11.014725 11.998750 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7145117 0.1033556 0.0984489 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= 624 RedAO= T EigKep= 1.13D-06 NBF= 624 NBsUse= 622 1.00D-06 EigRej= 9.06D-07 NBFU= 622 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= 633 632 632 632 633 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1361.06525763851 -1361.06525764 1 1.355969507592e+03 -7.074458779435e+03 2.413767858697e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830302963 LenY= 2829885001 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. PT1234.900S Tue Jul 27 02:35:36 2021 GINC-DEPAZ24 PAULAPLA 27-Jul-2021 0 Wavefunction metconazole_trans CONF16 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1361.0652576 RMSD=3.606e-09 Dipole=0.2252179,-0.0637825,-1.6363786 Quadrupole=-1.8147526,-6.4514029,8.2661555,-18.4216064,-0.9988245,-6.2442833 PG=C01 [X(C17H22Cl1N3O1)] 0 4.7921493554 4.5468757706 1.2797000659 0 -1.7776362079 -1.3917137818 1.5497051241 0 -1.4908168869 -3.4449814768 -0.520124915 0 -2.2195430294 -3.9579473242 0.5127672299 0 -2.7333506963 -5.0212850624 -1.409720952 0 -1.2637181669 -1.0593161924 0.2366922216 0 -2.3988475239 -0.3972651177 -0.6529031179 0 -0.2540581205 0.082771648 0.5338564172 0 -2.278708023 1.1272767698 -0.3131974838 0 -1.2015800699 1.2712355875 0.7760559576 0 -0.5806902844 -2.3107294971 -0.3392613836 0 0.7926452218 0.3676535131 -0.5696065125 0 -3.7978928821 -0.9316819661 -0.304271831 0 -2.1845970594 -0.6090237474 -2.1648865532 0 1.7973272261 1.4074927566 -0.1316084655 0 -1.8148910868 -4.0904887337 -1.6500408514 0 2.8093683814 1.0778053259 0.7783378105 0 1.728851964 2.7242538637 -0.5971610067 0 3.7293449058 2.0279679491 1.2155254861 0 2.6392955606 3.6927907541 -0.1733804283 0 -2.949488535 -4.8919427778 -0.0743259661 0 3.6288938524 3.3288706569 0.7316422212 0 0.2944543714 -0.1890343011 1.4393660371 0 -3.2384538046 1.5414311297 0.0045205325 0 -1.9759969221 1.6768053925 -1.2085914527 0 -0.6870407091 2.2332630573 0.7330028495 0 -1.6466273154 1.18344849 1.7693447879 0 0.2141635594 -2.6188602449 0.3422707777 0 -0.1426271741 -2.1172359802 -1.3145248194 0 0.3048356372 0.7066019678 -1.484237277 0 1.3308626239 -0.5525496471 -0.8095290072 0 -4.0619984564 -0.7325595851 0.7355158191 0 -4.5400252441 -0.4392162855 -0.9394685387 0 -3.8759222978 -2.009078567 -0.4781365293 0 -2.8901200357 0.0218632397 -2.7133643514 0 -1.1798320561 -0.3377983731 -2.4922667374 0 -2.3739645185 -1.641146676 -2.4654114435 0 -2.2479694825 -2.2400110914 1.4882841545 0 -1.3621520167 -3.865450047 -2.6020394854 0 2.8836497201 0.0618707418 1.1518263003 0 0.9538523177 3.0029786806 -1.302749771 0 4.5101011808 1.7601554603 1.9163656501 0 2.5761472396 4.7088034899 -0.5424045687 0 -3.6505446074 -5.4967906404 0.47943507 Gaussian 16 27-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C17H22ClN3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/metconazole_trans/water/CONF1 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 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 metconazole_trans CONF16 water 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 35 16 14 14 14 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 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 646 A 624 A 624 985 646 85 85 1943.7050249301 44 44 44 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 -0.0559624325 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 8.860126 0.000000 10.323992 2.929568 0.000000 11.049164 2.802869 1.364200 0.000000 12.466589 4.779684 2.195451 2.256246 0.000000 8.318100 1.448656 2.513115 3.064618 4.535162 0.000000 8.938116 2.495258 3.182880 3.750919 4.697470 1.586887 0.000000 6.778548 2.351031 3.884005 4.493438 5.997981 1.553089 2.497790 0.000000 8.014238 3.172821 4.644258 5.152206 6.262098 2.472604 1.566544 2.430576 0.000000 6.848961 2.832256 4.899637 5.333847 6.835185 2.392958 2.501853 1.539125 1.538636 0.000000 8.860880 2.417739 1.465459 2.474898 3.623112 1.537623 2.658084 2.568632 3.834557 3.802619 0.000000 6.073044 3.767387 4.444416 5.381044 6.494544 2.629637 3.282935 1.547377 3.174269 2.569864 3.018749 0.000000 10.310790 2.780341 3.418460 3.509562 4.368080 2.594412 1.537684 3.780257 2.558772 3.572225 3.500484 4.778254 0.000000 9.333995 3.817907 3.351004 4.287930 4.509929 2.611199 1.541700 3.389510 2.540147 3.626409 2.966686 3.516076 2.483691 0.000000 4.562508 4.841770 5.874465 6.733381 7.968049 3.948518 4.597476 2.530990 4.089689 3.136218 4.418514 1.510792 6.066963 4.904720 0.000000 11.262346 4.186066 1.341049 2.204325 1.329550 3.612694 3.869779 4.962027 5.406233 5.916940 2.531588 5.276516 3.965028 3.538693 6.751412 0.000000 4.027063 5.266322 6.374418 7.121747 8.526913 4.631490 5.599089 3.230239 5.204077 4.015611 4.921757 2.527537 6.990421 6.037189 1.400330 7.347929 0.000000 4.028443 5.817704 6.959286 7.840509 8.975794 4.895528 5.175412 3.491212 4.323368 3.547452 5.545408 2.535904 6.632990 5.374345 1.398316 7.752895 2.402146 0.000000 2.734697 6.490974 7.759881 8.468431 9.917173 5.951480 6.850367 4.485082 6.264578 5.007973 6.310155 3.816745 8.229740 7.304493 2.435662 8.739882 1.392946 2.787942 0.000000 2.734170 6.952014 8.253839 9.089164 10.311595 6.163132 6.507026 4.680162 5.548709 4.638716 6.814549 3.824088 7.927186 6.763257 2.435825 9.088440 2.787982 1.395192 2.426706 0.000000 12.282412 4.032656 2.102417 1.322818 1.358943 4.198521 4.565094 5.690608 6.061189 6.462438 3.513411 6.473965 4.056640 4.826893 7.887866 2.100599 8.338427 8.953585 9.703386 10.244119 0.000000 1.771177 7.223829 8.582740 9.346113 10.713949 6.590813 7.220438 5.064938 6.390498 5.250649 7.118464 4.301902 8.624534 7.595628 2.791331 9.505477 2.396059 2.396130 1.391611 1.389535 10.559663 0.000000 6.533269 2.398369 4.198570 4.624227 6.374602 2.152142 3.416844 1.093020 3.380136 2.193282 2.903616 2.143377 4.509890 4.394624 2.697311 5.405101 2.892513 3.833039 4.094347 4.813294 5.910311 4.898471 0.000000 8.668873 3.622833 5.309783 5.616018 6.732344 3.273740 2.212620 3.363704 1.092511 2.194795 4.692658 4.237586 2.554332 3.231315 5.039401 6.040085 6.114728 5.141519 7.088968 6.261624 6.440343 7.133310 4.187449 0.000000 7.761231 4.130782 5.190577 5.896849 6.743771 3.175303 2.188461 2.922694 1.093319 2.168648 4.313125 3.128508 3.307764 2.486570 3.933243 5.786408 5.215976 3.898320 6.208912 5.141671 6.736668 6.156998 3.955753 1.756065 0.000000 5.972705 3.872578 5.870166 6.381861 7.836269 3.379343 3.430845 2.202668 2.202532 1.091834 4.670003 2.714178 4.557435 4.326550 2.757088 6.851334 3.682664 2.801240 4.447408 3.743830 7.519243 4.452825 2.707361 2.742084 2.396005 0.000000 7.280813 2.587830 5.166073 5.323643 7.055930 2.743289 2.988608 2.162677 2.177077 1.091969 4.218023 3.476531 3.660820 4.356667 3.940132 6.287680 4.566087 4.400942 5.470010 5.332927 6.481277 5.788850 2.400082 2.403470 3.036444 1.759807 0.000000 8.554794 2.632689 2.081625 2.783011 4.186760 2.151153 3.571230 2.748591 4.547262 4.162373 1.091432 3.175756 4.400135 4.009904 4.352297 3.201884 4.537684 5.632555 5.891696 6.781158 3.917799 6.869316 2.667231 5.416887 5.065049 4.950550 4.467285 0.000000 8.688637 3.376899 2.052217 3.322769 3.892867 2.186850 2.913172 2.875581 4.011528 4.119909 1.086498 2.757592 3.973300 2.677211 4.193617 2.608211 4.827281 5.239949 6.210961 6.541996 4.137096 6.933343 3.390120 4.970902 4.215118 4.838967 4.760965 1.767455 0.000000 6.520969 4.236086 4.624881 5.667322 6.484198 2.922401 3.036370 2.185001 2.867577 2.774351 3.346553 1.090593 4.572600 2.896796 2.132694 5.247172 3.395544 2.624051 4.556533 4.010657 6.627381 4.778680 3.057733 3.932968 2.493887 2.868914 3.823792 3.795135 2.864103 0.000000 6.507651 3.991610 4.051147 5.094171 6.070227 2.843104 3.736226 2.172623 4.012127 3.500505 2.639391 1.092710 5.167510 3.768108 2.125778 4.808247 2.713919 3.307709 4.063574 4.487716 6.139402 4.766716 2.502761 5.091766 4.008066 3.769893 4.304617 2.615970 2.207813 1.758814 0.000000 10.323009 2.513106 3.942695 3.721207 4.975994 2.861113 2.192305 3.899467 2.781891 3.492683 3.970551 5.146006 1.091128 3.457200 6.297891 4.692127 7.105979 6.874557 8.279852 8.081903 4.381095 8.697417 4.446291 2.526581 3.733095 4.492933 3.251754 4.690238 4.634810 5.105657 5.612710 0.000000 10.810888 3.838493 4.302109 4.458149 4.947784 3.535826 2.160676 4.562091 2.821289 4.124789 4.420310 5.406035 1.093964 2.660550 6.650189 4.611189 7.698428 7.030188 8.894576 8.318835 4.806771 9.149991 5.393852 2.551111 3.335299 4.978433 4.282810 5.384795 4.721602 5.008228 5.873419 1.766390 0.000000 11.009359 2.982631 2.784297 2.742913 3.353611 2.869955 2.193225 4.303239 3.523496 4.414246 3.311923 5.239537 1.094121 2.768729 6.631651 3.154913 7.469986 7.337036 8.775325 8.663270 3.054873 9.288678 4.937754 3.639429 4.210584 5.443646 4.495905 4.215887 3.827367 5.085853 5.416817 1.771180 1.765879 0.000000 9.769215 4.627049 4.334439 5.166865 5.211277 3.537932 2.159286 4.182939 2.712299 4.072856 4.051027 4.275281 2.745365 1.093896 5.527892 4.381577 6.766917 5.754662 7.954744 7.106452 5.577951 8.080960 5.237477 3.133260 2.416360 4.649870 4.794813 5.093810 3.752494 3.491040 4.665965 3.719842 2.466067 3.176913 0.000000 8.587918 4.219673 3.693324 4.818372 5.051769 2.823976 2.207440 3.192391 2.846457 3.642993 2.981084 2.843405 3.463273 1.091006 4.181175 3.898119 5.349253 4.629042 6.591251 6.017360 5.451454 6.852875 4.201593 3.742108 2.518001 4.153982 4.549002 3.896289 2.372608 2.076327 3.030068 4.345262 3.703021 3.757499 1.761626 0.000000 10.181879 4.066815 2.796052 3.776369 3.559351 2.978681 2.198419 4.057278 3.507886 4.512601 2.860889 4.201996 2.683549 1.091537 5.669260 2.641338 6.691902 6.275363 8.016364 7.670533 4.076296 8.423570 4.947361 4.120280 3.570263 5.299681 5.142034 3.941752 2.555400 3.694671 4.201516 3.731076 2.909460 2.518037 1.758835 1.767877 0.000000 9.781033 0.971902 2.461492 1.975790 4.045926 1.982240 2.828986 3.206546 3.819019 3.732433 2.474822 4.503351 2.706888 4.001224 5.682672 3.668911 6.090041 6.693887 7.349716 7.864135 3.156996 8.131573 3.266928 4.181138 4.763251 4.797617 3.487217 2.742074 3.507603 4.902573 4.575534 2.475838 3.793463 2.563273 4.814798 4.539176 4.000778 0.000000 11.122525 4.850668 2.127843 3.231980 2.153547 3.992803 4.111226 5.162380 5.568321 6.150029 2.854471 5.166537 4.451917 3.387009 6.624897 1.077922 7.298240 7.549705 8.673495 8.890274 3.156368 9.369217 5.709057 6.288802 5.747617 6.983737 6.684407 3.564789 2.490218 4.993194 4.630414 5.314457 4.960050 3.778375 4.178311 3.534065 2.447439 4.489707 0.000000 4.875858 4.898857 5.850589 6.527627 7.996918 4.392629 5.601128 3.198052 5.470953 4.277016 4.455808 2.725644 6.910165 6.094080 2.153602 6.867957 1.084958 3.388333 2.141214 3.872914 7.750434 3.377163 2.617167 6.401997 5.638772 4.200022 4.707725 3.868831 4.470989 3.743633 2.575961 7.003318 7.728878 7.255165 6.948217 5.472754 6.605088 5.634304 6.895084 0.000000 4.877006 5.908540 6.940108 7.862635 8.831518 4.877473 4.819186 3.655103 3.866124 3.459228 5.614145 2.740151 6.249608 4.862068 2.151417 7.622587 3.388238 1.084513 3.872430 2.142903 8.892406 3.376508 4.259454 4.628229 3.217393 2.725671 4.417120 5.904092 5.236316 2.393221 3.609319 6.577806 6.493333 7.009096 5.064880 4.138641 5.830441 6.747627 7.363922 4.289426 0.000000 2.872404 7.043036 8.309089 8.941750 10.465103 6.641364 7.680441 5.236617 7.173522 5.844883 6.897544 4.683866 9.011103 8.190764 3.417267 9.324957 2.157128 3.870743 1.082812 3.406175 10.191111 2.154290 4.668891 7.983927 7.200123 5.351118 6.185427 6.333138 6.864452 5.509840 4.784001 9.004939 9.741551 9.500850 8.900524 7.497519 8.840768 7.864865 9.303052 2.472658 4.955221 0.000000 2.873491 7.781302 9.111800 9.961155 11.118347 6.973002 7.129847 5.528885 6.037341 5.275077 7.699398 4.693315 8.514703 7.319592 3.416719 9.896243 3.870775 2.158552 3.406914 1.082797 11.087203 2.153064 5.755202 6.643866 5.509885 4.289914 5.966920 7.749598 7.388012 4.697182 5.413310 8.677931 8.792024 9.314680 7.520675 6.586162 8.277888 8.699530 9.657646 4.955700 2.473824 4.298867 0.000000 13.145141 4.637340 3.142207 2.101646 2.153198 5.044506 5.371601 6.532274 6.810908 7.203582 4.499473 7.431967 4.634234 5.747321 8.815997 3.143561 9.221992 9.883448 10.565349 11.155118 1.078875 11.443170 6.682571 7.066253 7.557382 8.282535 7.092612 4.820505 5.190873 7.614665 7.135921 4.788817 5.327619 3.623793 6.420884 6.445978 5.016749 3.686680 4.170551 8.605029 9.829686 11.014725 11.998750 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7145117 0.1033556 0.0984489 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= 624 RedAO= T EigKep= 1.13D-06 NBF= 624 NBsUse= 622 1.00D-06 EigRej= 9.06D-07 NBFU= 622 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= 633 632 632 632 633 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1361.06525763851 -1361.06525764 1 1.355969507592e+03 -7.074458779435e+03 2.413767858697e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830302963 LenY= 2829885001 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 5.0953 243.33 0.0081 0.000 84 86 0.14977 84 87 -0.32367 85 86 0.56477 85 87 0.21139 -1360.87801032 2 Singlet-A 5.6023 221.31 0.2313 0.000 84 86 0.26227 85 86 -0.25201 85 87 0.59388 3 Singlet-A 5.8143 213.24 0.0003 0.000 85 88 -0.32232 85 89 0.49699 85 90 0.30732 85 91 0.17590 4 Singlet-A 5.8753 211.03 0.0015 0.000 85 88 0.61325 85 89 0.24087 85 90 0.19231 5 Singlet-A 6.0901 203.58 0.0021 0.000 85 89 -0.31328 85 90 0.58696 85 91 -0.20939 6 Singlet-A 6.1274 202.34 0.0189 0.000 81 88 0.11464 82 88 0.10954 83 86 0.39150 83 88 0.51719 84 88 0.13607 85 88 0.10309 7 Singlet-A 6.1596 201.28 0.0253 0.000 83 86 0.53214 83 88 -0.36207 84 86 0.14358 84 87 -0.11925 8 Singlet-A 6.2398 198.70 0.0437 0.000 82 87 0.10803 83 87 0.65394 84 86 0.14523 84 87 0.14991 9 Singlet-A 6.3538 195.13 0.3136 0.000 83 86 0.19737 84 86 -0.23439 84 87 0.48497 84 89 0.12494 85 86 0.27286 85 87 0.17163 10 Singlet-A 6.4113 193.38 0.0153 0.000 80 88 0.32898 81 88 0.56423 83 88 -0.10988 84 88 -0.12463 PT47619.300S Tue Jul 27 03:26:54 2021 GINC-DEPAZ24 PAULAPLA 27-Jul-2021 0 Electronic spectrum metconazole_trans CONF16 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1361.0652576 RMSD=2.562e-09 PG=C01 [X(C17H22Cl1N3O1)] 0 4.7921493554 4.5468757706 1.2797000659 0 -1.7776362079 -1.3917137818 1.5497051241 0 -1.4908168869 -3.4449814768 -0.520124915 0 -2.2195430294 -3.9579473242 0.5127672299 0 -2.7333506963 -5.0212850624 -1.409720952 0 -1.2637181669 -1.0593161924 0.2366922216 0 -2.3988475239 -0.3972651177 -0.6529031179 0 -0.2540581205 0.082771648 0.5338564172 0 -2.278708023 1.1272767698 -0.3131974838 0 -1.2015800699 1.2712355875 0.7760559576 0 -0.5806902844 -2.3107294971 -0.3392613836 0 0.7926452218 0.3676535131 -0.5696065125 0 -3.7978928821 -0.9316819661 -0.304271831 0 -2.1845970594 -0.6090237474 -2.1648865532 0 1.7973272261 1.4074927566 -0.1316084655 0 -1.8148910868 -4.0904887337 -1.6500408514 0 2.8093683814 1.0778053259 0.7783378105 0 1.728851964 2.7242538637 -0.5971610067 0 3.7293449058 2.0279679491 1.2155254861 0 2.6392955606 3.6927907541 -0.1733804283 0 -2.949488535 -4.8919427778 -0.0743259661 0 3.6288938524 3.3288706569 0.7316422212 0 0.2944543714 -0.1890343011 1.4393660371 0 -3.2384538046 1.5414311297 0.0045205325 0 -1.9759969221 1.6768053925 -1.2085914527 0 -0.6870407091 2.2332630573 0.7330028495 0 -1.6466273154 1.18344849 1.7693447879 0 0.2141635594 -2.6188602449 0.3422707777 0 -0.1426271741 -2.1172359802 -1.3145248194 0 0.3048356372 0.7066019678 -1.484237277 0 1.3308626239 -0.5525496471 -0.8095290072 0 -4.0619984564 -0.7325595851 0.7355158191 0 -4.5400252441 -0.4392162855 -0.9394685387 0 -3.8759222978 -2.009078567 -0.4781365293 0 -2.8901200357 0.0218632397 -2.7133643514 0 -1.1798320561 -0.3377983731 -2.4922667374 0 -2.3739645185 -1.641146676 -2.4654114435 0 -2.2479694825 -2.2400110914 1.4882841545 0 -1.3621520167 -3.865450047 -2.6020394854 0 2.8836497201 0.0618707418 1.1518263003 0 0.9538523177 3.0029786806 -1.302749771 0 4.5101011808 1.7601554603 1.9163656501 0 2.5761472396 4.7088034899 -0.5424045687 0 -3.6505446074 -5.4967906404 0.47943507 Gaussian 16 27-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C17H22ClN3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/metconazole_trans/water/CONF1 #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point metconazole_trans CONF16 water 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 35 16 14 14 14 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 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 1196 A 1064 A 1064 1535 1196 85 85 1943.7050249301 44 44 44 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 -0.0559624325 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 8.860126 0.000000 10.323992 2.929568 0.000000 11.049164 2.802869 1.364200 0.000000 12.466589 4.779684 2.195451 2.256246 0.000000 8.318100 1.448656 2.513115 3.064618 4.535162 0.000000 8.938116 2.495258 3.182880 3.750919 4.697470 1.586887 0.000000 6.778548 2.351031 3.884005 4.493438 5.997981 1.553089 2.497790 0.000000 8.014238 3.172821 4.644258 5.152206 6.262098 2.472604 1.566544 2.430576 0.000000 6.848961 2.832256 4.899637 5.333847 6.835185 2.392958 2.501853 1.539125 1.538636 0.000000 8.860880 2.417739 1.465459 2.474898 3.623112 1.537623 2.658084 2.568632 3.834557 3.802619 0.000000 6.073044 3.767387 4.444416 5.381044 6.494544 2.629637 3.282935 1.547377 3.174269 2.569864 3.018749 0.000000 10.310790 2.780341 3.418460 3.509562 4.368080 2.594412 1.537684 3.780257 2.558772 3.572225 3.500484 4.778254 0.000000 9.333995 3.817907 3.351004 4.287930 4.509929 2.611199 1.541700 3.389510 2.540147 3.626409 2.966686 3.516076 2.483691 0.000000 4.562508 4.841770 5.874465 6.733381 7.968049 3.948518 4.597476 2.530990 4.089689 3.136218 4.418514 1.510792 6.066963 4.904720 0.000000 11.262346 4.186066 1.341049 2.204325 1.329550 3.612694 3.869779 4.962027 5.406233 5.916940 2.531588 5.276516 3.965028 3.538693 6.751412 0.000000 4.027063 5.266322 6.374418 7.121747 8.526913 4.631490 5.599089 3.230239 5.204077 4.015611 4.921757 2.527537 6.990421 6.037189 1.400330 7.347929 0.000000 4.028443 5.817704 6.959286 7.840509 8.975794 4.895528 5.175412 3.491212 4.323368 3.547452 5.545408 2.535904 6.632990 5.374345 1.398316 7.752895 2.402146 0.000000 2.734697 6.490974 7.759881 8.468431 9.917173 5.951480 6.850367 4.485082 6.264578 5.007973 6.310155 3.816745 8.229740 7.304493 2.435662 8.739882 1.392946 2.787942 0.000000 2.734170 6.952014 8.253839 9.089164 10.311595 6.163132 6.507026 4.680162 5.548709 4.638716 6.814549 3.824088 7.927186 6.763257 2.435825 9.088440 2.787982 1.395192 2.426706 0.000000 12.282412 4.032656 2.102417 1.322818 1.358943 4.198521 4.565094 5.690608 6.061189 6.462438 3.513411 6.473965 4.056640 4.826893 7.887866 2.100599 8.338427 8.953585 9.703386 10.244119 0.000000 1.771177 7.223829 8.582740 9.346113 10.713949 6.590813 7.220438 5.064938 6.390498 5.250649 7.118464 4.301902 8.624534 7.595628 2.791331 9.505477 2.396059 2.396130 1.391611 1.389535 10.559663 0.000000 6.533269 2.398369 4.198570 4.624227 6.374602 2.152142 3.416844 1.093020 3.380136 2.193282 2.903616 2.143377 4.509890 4.394624 2.697311 5.405101 2.892513 3.833039 4.094347 4.813294 5.910311 4.898471 0.000000 8.668873 3.622833 5.309783 5.616018 6.732344 3.273740 2.212620 3.363704 1.092511 2.194795 4.692658 4.237586 2.554332 3.231315 5.039401 6.040085 6.114728 5.141519 7.088968 6.261624 6.440343 7.133310 4.187449 0.000000 7.761231 4.130782 5.190577 5.896849 6.743771 3.175303 2.188461 2.922694 1.093319 2.168648 4.313125 3.128508 3.307764 2.486570 3.933243 5.786408 5.215976 3.898320 6.208912 5.141671 6.736668 6.156998 3.955753 1.756065 0.000000 5.972705 3.872578 5.870166 6.381861 7.836269 3.379343 3.430845 2.202668 2.202532 1.091834 4.670003 2.714178 4.557435 4.326550 2.757088 6.851334 3.682664 2.801240 4.447408 3.743830 7.519243 4.452825 2.707361 2.742084 2.396005 0.000000 7.280813 2.587830 5.166073 5.323643 7.055930 2.743289 2.988608 2.162677 2.177077 1.091969 4.218023 3.476531 3.660820 4.356667 3.940132 6.287680 4.566087 4.400942 5.470010 5.332927 6.481277 5.788850 2.400082 2.403470 3.036444 1.759807 0.000000 8.554794 2.632689 2.081625 2.783011 4.186760 2.151153 3.571230 2.748591 4.547262 4.162373 1.091432 3.175756 4.400135 4.009904 4.352297 3.201884 4.537684 5.632555 5.891696 6.781158 3.917799 6.869316 2.667231 5.416887 5.065049 4.950550 4.467285 0.000000 8.688637 3.376899 2.052217 3.322769 3.892867 2.186850 2.913172 2.875581 4.011528 4.119909 1.086498 2.757592 3.973300 2.677211 4.193617 2.608211 4.827281 5.239949 6.210961 6.541996 4.137096 6.933343 3.390120 4.970902 4.215118 4.838967 4.760965 1.767455 0.000000 6.520969 4.236086 4.624881 5.667322 6.484198 2.922401 3.036370 2.185001 2.867577 2.774351 3.346553 1.090593 4.572600 2.896796 2.132694 5.247172 3.395544 2.624051 4.556533 4.010657 6.627381 4.778680 3.057733 3.932968 2.493887 2.868914 3.823792 3.795135 2.864103 0.000000 6.507651 3.991610 4.051147 5.094171 6.070227 2.843104 3.736226 2.172623 4.012127 3.500505 2.639391 1.092710 5.167510 3.768108 2.125778 4.808247 2.713919 3.307709 4.063574 4.487716 6.139402 4.766716 2.502761 5.091766 4.008066 3.769893 4.304617 2.615970 2.207813 1.758814 0.000000 10.323009 2.513106 3.942695 3.721207 4.975994 2.861113 2.192305 3.899467 2.781891 3.492683 3.970551 5.146006 1.091128 3.457200 6.297891 4.692127 7.105979 6.874557 8.279852 8.081903 4.381095 8.697417 4.446291 2.526581 3.733095 4.492933 3.251754 4.690238 4.634810 5.105657 5.612710 0.000000 10.810888 3.838493 4.302109 4.458149 4.947784 3.535826 2.160676 4.562091 2.821289 4.124789 4.420310 5.406035 1.093964 2.660550 6.650189 4.611189 7.698428 7.030188 8.894576 8.318835 4.806771 9.149991 5.393852 2.551111 3.335299 4.978433 4.282810 5.384795 4.721602 5.008228 5.873419 1.766390 0.000000 11.009359 2.982631 2.784297 2.742913 3.353611 2.869955 2.193225 4.303239 3.523496 4.414246 3.311923 5.239537 1.094121 2.768729 6.631651 3.154913 7.469986 7.337036 8.775325 8.663270 3.054873 9.288678 4.937754 3.639429 4.210584 5.443646 4.495905 4.215887 3.827367 5.085853 5.416817 1.771180 1.765879 0.000000 9.769215 4.627049 4.334439 5.166865 5.211277 3.537932 2.159286 4.182939 2.712299 4.072856 4.051027 4.275281 2.745365 1.093896 5.527892 4.381577 6.766917 5.754662 7.954744 7.106452 5.577951 8.080960 5.237477 3.133260 2.416360 4.649870 4.794813 5.093810 3.752494 3.491040 4.665965 3.719842 2.466067 3.176913 0.000000 8.587918 4.219673 3.693324 4.818372 5.051769 2.823976 2.207440 3.192391 2.846457 3.642993 2.981084 2.843405 3.463273 1.091006 4.181175 3.898119 5.349253 4.629042 6.591251 6.017360 5.451454 6.852875 4.201593 3.742108 2.518001 4.153982 4.549002 3.896289 2.372608 2.076327 3.030068 4.345262 3.703021 3.757499 1.761626 0.000000 10.181879 4.066815 2.796052 3.776369 3.559351 2.978681 2.198419 4.057278 3.507886 4.512601 2.860889 4.201996 2.683549 1.091537 5.669260 2.641338 6.691902 6.275363 8.016364 7.670533 4.076296 8.423570 4.947361 4.120280 3.570263 5.299681 5.142034 3.941752 2.555400 3.694671 4.201516 3.731076 2.909460 2.518037 1.758835 1.767877 0.000000 9.781033 0.971902 2.461492 1.975790 4.045926 1.982240 2.828986 3.206546 3.819019 3.732433 2.474822 4.503351 2.706888 4.001224 5.682672 3.668911 6.090041 6.693887 7.349716 7.864135 3.156996 8.131573 3.266928 4.181138 4.763251 4.797617 3.487217 2.742074 3.507603 4.902573 4.575534 2.475838 3.793463 2.563273 4.814798 4.539176 4.000778 0.000000 11.122525 4.850668 2.127843 3.231980 2.153547 3.992803 4.111226 5.162380 5.568321 6.150029 2.854471 5.166537 4.451917 3.387009 6.624897 1.077922 7.298240 7.549705 8.673495 8.890274 3.156368 9.369217 5.709057 6.288802 5.747617 6.983737 6.684407 3.564789 2.490218 4.993194 4.630414 5.314457 4.960050 3.778375 4.178311 3.534065 2.447439 4.489707 0.000000 4.875858 4.898857 5.850589 6.527627 7.996918 4.392629 5.601128 3.198052 5.470953 4.277016 4.455808 2.725644 6.910165 6.094080 2.153602 6.867957 1.084958 3.388333 2.141214 3.872914 7.750434 3.377163 2.617167 6.401997 5.638772 4.200022 4.707725 3.868831 4.470989 3.743633 2.575961 7.003318 7.728878 7.255165 6.948217 5.472754 6.605088 5.634304 6.895084 0.000000 4.877006 5.908540 6.940108 7.862635 8.831518 4.877473 4.819186 3.655103 3.866124 3.459228 5.614145 2.740151 6.249608 4.862068 2.151417 7.622587 3.388238 1.084513 3.872430 2.142903 8.892406 3.376508 4.259454 4.628229 3.217393 2.725671 4.417120 5.904092 5.236316 2.393221 3.609319 6.577806 6.493333 7.009096 5.064880 4.138641 5.830441 6.747627 7.363922 4.289426 0.000000 2.872404 7.043036 8.309089 8.941750 10.465103 6.641364 7.680441 5.236617 7.173522 5.844883 6.897544 4.683866 9.011103 8.190764 3.417267 9.324957 2.157128 3.870743 1.082812 3.406175 10.191111 2.154290 4.668891 7.983927 7.200123 5.351118 6.185427 6.333138 6.864452 5.509840 4.784001 9.004939 9.741551 9.500850 8.900524 7.497519 8.840768 7.864865 9.303052 2.472658 4.955221 0.000000 2.873491 7.781302 9.111800 9.961155 11.118347 6.973002 7.129847 5.528885 6.037341 5.275077 7.699398 4.693315 8.514703 7.319592 3.416719 9.896243 3.870775 2.158552 3.406914 1.082797 11.087203 2.153064 5.755202 6.643866 5.509885 4.289914 5.966920 7.749598 7.388012 4.697182 5.413310 8.677931 8.792024 9.314680 7.520675 6.586162 8.277888 8.699530 9.657646 4.955700 2.473824 4.298867 0.000000 13.145141 4.637340 3.142207 2.101646 2.153198 5.044506 5.371601 6.532274 6.810908 7.203582 4.499473 7.431967 4.634234 5.747321 8.815997 3.143561 9.221992 9.883448 10.565349 11.155118 1.078875 11.443170 6.682571 7.066253 7.557382 8.282535 7.092612 4.820505 5.190873 7.614665 7.135921 4.788817 5.327619 3.623793 6.420884 6.445978 5.016749 3.686680 4.170551 8.605029 9.829686 11.014725 11.998750 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7145117 0.1033556 0.0984489 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= 1064 RedAO= T EigKep= 1.08D-06 NBF= 1064 NBsUse= 1061 1.00D-06 EigRej= 6.90D-07 NBFU= 1061 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= 1165 1165 1165 1165 1165 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1361.07111024608 -1361.12703027988 -0.055920033801 -1361.12698432157 0.000045958307 -1361.12730549246 -0.000321170882 -1361.12733494886 -0.000029456404 -1361.12733861576 -0.000003666898 -1361.12733898090 -0.000000365145 -1361.12733900731 -0.000000026405 -1361.12733901138 -0.000000004070 -1361.12733901180 -0.000000000416 -1361.12733901181 -0.000000000010 -1361.12733901166 0.000000000142 -1361.12733901 12 1.355698184285e+03 -7.074548808728e+03 2.414067129923e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2828264135 LenY= 2826832523 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. PT42253.900S Tue Jul 27 04:11:03 2021 GINC-DEPAZ24 PAULAPLA 27-Jul-2021 0 Single Point metconazole_trans CONF16 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1361.127339 RMSD=3.792e-09 Dipole=0.2177243,-0.0814662,-1.5997177 Quadrupole=-1.9569498,-6.442782,8.3997317,-18.4112119,-1.1934636,-6.2065711 PG=C01 [X(C17H22Cl1N3O1)] 0 4.7921493554 4.5468757706 1.2797000659 0 -1.7776362079 -1.3917137818 1.5497051241 0 -1.4908168869 -3.4449814768 -0.520124915 0 -2.2195430294 -3.9579473242 0.5127672299 0 -2.7333506963 -5.0212850624 -1.409720952 0 -1.2637181669 -1.0593161924 0.2366922216 0 -2.3988475239 -0.3972651177 -0.6529031179 0 -0.2540581205 0.082771648 0.5338564172 0 -2.278708023 1.1272767698 -0.3131974838 0 -1.2015800699 1.2712355875 0.7760559576 0 -0.5806902844 -2.3107294971 -0.3392613836 0 0.7926452218 0.3676535131 -0.5696065125 0 -3.7978928821 -0.9316819661 -0.304271831 0 -2.1845970594 -0.6090237474 -2.1648865532 0 1.7973272261 1.4074927566 -0.1316084655 0 -1.8148910868 -4.0904887337 -1.6500408514 0 2.8093683814 1.0778053259 0.7783378105 0 1.728851964 2.7242538637 -0.5971610067 0 3.7293449058 2.0279679491 1.2155254861 0 2.6392955606 3.6927907541 -0.1733804283 0 -2.949488535 -4.8919427778 -0.0743259661 0 3.6288938524 3.3288706569 0.7316422212 0 0.2944543714 -0.1890343011 1.4393660371 0 -3.2384538046 1.5414311297 0.0045205325 0 -1.9759969221 1.6768053925 -1.2085914527 0 -0.6870407091 2.2332630573 0.7330028495 0 -1.6466273154 1.18344849 1.7693447879 0 0.2141635594 -2.6188602449 0.3422707777 0 -0.1426271741 -2.1172359802 -1.3145248194 0 0.3048356372 0.7066019678 -1.484237277 0 1.3308626239 -0.5525496471 -0.8095290072 0 -4.0619984564 -0.7325595851 0.7355158191 0 -4.5400252441 -0.4392162855 -0.9394685387 0 -3.8759222978 -2.009078567 -0.4781365293 0 -2.8901200357 0.0218632397 -2.7133643514 0 -1.1798320561 -0.3377983731 -2.4922667374 0 -2.3739645185 -1.641146676 -2.4654114435 0 -2.2479694825 -2.2400110914 1.4882841545 0 -1.3621520167 -3.865450047 -2.6020394854 0 2.8836497201 0.0618707418 1.1518263003 0 0.9538523177 3.0029786806 -1.302749771 0 4.5101011808 1.7601554603 1.9163656501 0 2.5761472396 4.7088034899 -0.5424045687 0 -3.6505446074 -5.4967906404 0.47943507