Gaussian 16 GINC-CIBELES02 APULGAR Optimization Cypermethrin-theta CONF4 gas EM64L-G16RevC.01 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 47 47 108 108 746 (5D, 7F) 6-311+G(d,p) 135 135 C1[X(C22H19Cl2NO3)] C1[X(C22H19Cl2NO3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 397.1462999999997 0 1 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6321,.0084,2.0876;4.4412,-.2549,1.4851;-1.62,-1.3837,.0693;-1.7484,-2.7002,1.8775;-.7789,3.4776,-.2825;-4.5807,-2.3839,-1.1052;.753,-3.266,-.6475;1.1561,-1.8697,-.3022;.2807,-2.6421,.6553;-.2064,-3.4901,-1.791;1.7643,-4.3762,-.4899;2.5395,-1.5185,.0865;-1.1199,-2.2766,.951;2.8318,-.7008,1.0879;-2.9303,-.8964,.2761;-2.9811,.5601,-.1398;-3.8607,-1.7272,-.4971;-1.8335,1.3323,-.0269;-4.1716,1.1355,-.5636;-1.8747,2.6773,-.3709;-4.2046,2.487,-.8721;-3.0615,3.2631,-.7879;.458,2.9519,-.5412;1.4835,3.2435,.3429;.699,2.1862,-1.6762;2.7604,2.7622,.0916;1.9769,1.7049,-1.9106;3.0115,1.9874,-1.0295;.6538,-1.0877,-.8665;.7675,-3.0389,1.5387;-.8732,-2.6488,-1.964;-.8215,-4.374,-1.6153;.3525,-3.658,-2.7131;1.2613,-5.3294,-.3223;2.4412,-4.2085,.3481;2.3694,-4.4773,-1.3931;3.3619,-1.9079,-.5023;-3.2054,-.9908,1.3325;-.9052,.897,.3184;-5.07,.5403,-.6638;-5.1309,2.9372,-1.2025;-3.079,4.3133,-1.0469;1.2788,3.8395,1.2223;-.1019,1.9713,-2.3723;3.5589,2.9829,.787;2.165,1.1113,-2.7958;4.006,1.6055,-1.2152; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6500848/Gau-657200.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6500848/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 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=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 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=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 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 Cypermethrin-theta CONF4 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.7152 1.7167 1.3509 1.4132 1.197 1.3599 1.3686 1.1486 1.4938 1.5198 1.5094 1.51 1.5098 1.4793 1.0873 1.4774 1.0839 1.0874 1.0911 1.0913 1.0907 1.0903 1.0918 1.3255 1.0838 1.5155 1.4676 1.0957 1.3879 1.3885 1.3888 1.0818 1.3867 1.0823 1.3876 1.3842 1.0816 1.0818 1.3851 1.3902 1.3875 1.0819 1.3855 1.0827 1.3858 1.0817 1.388 1.0822 1.0814 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 118.3982 119.3386 119.0398 118.8439 120.8517 114.867 113.3052 122.3447 115.3211 119.8039 115.4164 113.4289 124.595 114.1307 123.371 116.3442 110.6805 113.2925 110.888 109.7165 107.8644 107.3804 107.4726 110.4715 112.5168 110.6649 107.6184 107.565 107.8134 123.4503 118.7902 117.6928 123.0091 112.5689 124.4122 114.4236 122.7651 122.8101 108.8021 108.3915 110.1374 112.2206 109.8146 107.4544 118.9908 120.718 120.2113 119.6114 120.767 119.6198 119.4866 120.7968 119.7145 121.9958 117.4068 120.5757 120.8824 119.6008 119.5048 119.1999 119.7114 121.0877 117.8784 121.5048 120.5815 119.5193 119.6488 120.8314 119.2989 120.3963 120.3043 120.4834 119.4833 120.026 120.6221 119.286 120.0895 119.4904 120.2038 120.3058 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A81 A82 6 6 17 17 15 15 10 10 -1 -2 179.4619 estimate D2E/DX2|estimate D2E/DX2 180.0802 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 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 46 3 3 3 3 3 5 5 5 5 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 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 47 2.0738 -176.8335 143.9792 -93.7313 23.5651 34.183 -147.5018 -133.7597 48.3899 -140.3918 4.7212 4.9339 150.0469 3.4609 144.6357 -138.2403 2.9345 -27.3981 -148.8494 92.586 43.2155 -78.2358 163.1996 -174.5373 64.0115 -54.5531 153.9233 33.625 -87.0584 85.7289 -34.5695 -155.2529 -58.8676 -179.166 60.1506 133.8326 -9.1112 -7.3827 -150.3265 -137.0436 45.9983 -64.6793 118.3626 77.2521 -99.706 -59.0443 122.0664 13.913 -164.9763 158.6587 -20.2307 2.0844 -177.4748 179.0736 -0.4855 -29.7145 153.5299 -149.6561 33.5883 90.8988 -85.8568 -178.3026 2.1894 -1.5302 178.9618 176.6736 -3.8532 -0.0424 179.4308 -179.821 1.9163 -0.3074 -178.57 1.2655 179.9979 -178.2135 0.5189 -179.0537 1.2991 -0.7134 179.6394 -0.8883 178.7539 -179.6219 0.0203 -178.0375 2.2182 -0.1663 -179.9105 178.3644 -1.3787 0.5715 -179.1717 -0.4402 -179.4573 179.3009 0.2839 -0.3775 -179.8219 179.3659 -0.0785 0.6312 -179.3193 179.6429 -0.3076 -0.2186 179.7318 179.2213 -0.8282 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 774 A 746 A 1194 774 2987.7937741936 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 746 RedAO= T EigKep= 1.03D-06 NBF= 746 NBsUse= 743 1.00D-06 EigRej= 8.79D-07 NBFU= 743 Berny optimization. local minimum Step number 39 out of a maximum of 250 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00072 0.00166 0.00231 0.00281 0.00303 0.00562 0.01593 0.01636 0.01886 0.01916 0.02037 0.02164 0.02229 0.02237 0.02248 0.02250 0.02256 0.02264 0.02266 0.02271 0.02275 0.02278 0.02281 0.02290 0.02301 0.02338 0.02375 0.02391 0.02580 0.03086 0.03265 0.03967 0.04016 0.04482 0.05183 0.05549 0.05569 0.05676 0.05843 0.05918 0.06256 0.07030 0.08073 0.08507 0.09448 0.09820 0.10395 0.12423 0.13225 0.15075 0.15748 0.15861 0.15950 0.15975 0.15989 0.15991 0.15999 0.16003 0.16005 0.16007 0.16013 0.16022 0.16040 0.16048 0.16091 0.16152 0.18656 0.19234 0.20086 0.21603 0.21952 0.22034 0.22376 0.23131 0.23396 0.23498 0.23941 0.24089 0.24340 0.24565 0.25123 0.25524 0.25807 0.27770 0.28673 0.29710 0.29944 0.31302 0.31436 0.31615 0.33065 0.34023 0.34237 0.34421 0.34617 0.34693 0.34705 0.34772 0.35046 0.35126 0.35486 0.35529 0.35567 0.35644 0.35705 0.35735 0.35758 0.35768 0.35798 0.35811 0.35814 0.35859 0.35978 0.36627 0.38402 0.42232 0.43098 0.43425 0.43639 0.45495 0.47501 0.47717 0.47754 0.47966 0.48037 0.48145 0.48583 0.50131 0.51935 0.54207 0.59370 0.65948 1.05908 1.35782 2.06112 -1.40120512e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 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 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 3.29189 3.29501 2.58980 2.72230 2.27764 2.60228 2.61752 2.17648 2.83479 2.90219 2.86818 2.87016 2.90095 2.80159 2.05187 2.79372 2.04602 2.05628 2.06725 2.06812 2.06601 2.06394 2.06898 2.51494 2.04880 2.87626 2.77911 2.06916 2.63783 2.63462 2.63122 2.04358 2.63691 2.04663 2.63515 2.62677 2.04780 2.04622 2.62913 2.63737 2.63201 2.04650 2.63167 2.04624 2.63309 2.04795 2.63473 2.04888 2.04659 2.04675 2.10210 2.07187 2.07640 2.10924 2.00180 1.97765 2.15857 2.01126 2.09106 1.97094 1.98859 2.20348 2.00636 2.12045 2.03170 1.92826 1.96169 1.92976 1.90890 1.88796 1.89129 1.88215 1.92231 1.96401 1.92440 1.88219 1.88196 1.88650 2.14439 2.08737 2.05089 2.14180 1.96269 2.17824 1.99942 2.13839 2.14538 1.88089 1.90918 1.89060 1.97830 1.93019 1.87310 2.05553 2.12776 2.09938 2.08572 2.10432 2.09273 2.08502 2.10338 2.09472 2.13525 2.04010 2.10683 2.10780 2.08759 2.08759 2.08097 2.07704 2.12514 2.03787 2.13509 2.10866 2.08456 2.07594 2.12266 2.07915 2.09511 2.10892 2.10210 2.08561 2.09534 2.10552 2.08262 2.09504 2.08628 2.09803 2.09882 3.14287 3.13399 0.05712 -3.05346 2.59787 -1.52742 0.50905 0.64157 -2.54793 -2.50213 0.69905 -2.45274 0.13995 0.07757 2.67025 0.00373 2.53557 -2.46494 0.06691 -0.52798 -2.63968 1.57346 0.71492 -1.39678 2.81636 -3.09111 1.08038 -0.98967 2.71612 0.61543 -1.49221 1.51403 -0.58666 -2.69430 -1.00558 -3.10626 1.06928 2.26405 -0.17371 -0.15488 -2.59263 -2.68156 0.49609 -1.40949 1.76816 1.00264 -2.10289 -0.80603 2.36733 0.44853 -2.66129 2.92299 -0.18683 0.04321 -3.09436 -3.13373 0.01188 -0.69860 2.47715 -2.81390 0.36185 1.36494 -1.74250 -3.13684 0.03563 -0.02883 -3.13954 3.10627 -0.04785 -0.00033 3.12875 3.12922 0.03733 -0.04304 -3.13494 0.02166 3.14139 -3.10747 0.01225 -3.11084 0.03989 -0.01633 3.13441 -0.01341 3.11878 -3.13313 -0.00095 -3.09233 0.05702 -0.00936 3.13999 3.09497 -0.04822 0.01533 -3.12786 -0.00272 -3.12639 3.13091 0.00723 -0.00935 3.13467 3.13385 -0.00531 0.00857 -3.12185 3.13214 0.00173 -0.00245 3.12795 3.13669 -0.01609 -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 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00002 0.00000 -0.00003 0.00002 0.00002 0.00002 -0.00001 0.00001 -0.00002 -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 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00002 0.00004 0.00004 -0.00026 -0.00024 -0.00026 -0.00005 -0.00004 0.00012 0.00012 -0.00004 -0.00002 -0.00005 -0.00003 0.00000 0.00002 -0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00003 0.00003 0.00003 0.00005 0.00005 0.00005 0.00005 0.00004 0.00005 0.00005 0.00004 0.00004 -0.00001 0.00001 -0.00002 -0.00001 0.00025 0.00026 0.00023 0.00024 0.00024 0.00025 0.00007 0.00007 0.00008 0.00008 0.00006 0.00006 -0.00003 -0.00001 -0.00004 -0.00002 0.00012 0.00014 0.00011 0.00013 0.00011 0.00014 0.00003 0.00002 0.00001 -0.00000 -0.00004 -0.00003 -0.00001 -0.00001 0.00002 0.00001 0.00002 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00002 0.00001 0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 0.00001 0.00000 0.00002 -0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00002 0.00001 -0.00002 0.00001 0.00001 -0.00000 -0.00002 0.00003 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00000 -0.00007 -0.00007 -0.00002 -0.00002 -0.00002 -0.00004 -0.00003 -0.00011 -0.00011 -0.00002 -0.00001 -0.00002 -0.00001 0.00005 0.00002 0.00005 0.00002 -0.00007 -0.00008 -0.00007 -0.00007 -0.00008 -0.00008 -0.00007 -0.00008 -0.00007 0.00004 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00000 0.00003 -0.00000 0.00004 0.00002 0.00002 0.00000 0.00003 0.00001 -0.00016 -0.00015 -0.00014 -0.00014 -0.00012 -0.00011 0.00001 -0.00006 0.00003 -0.00004 0.00008 0.00005 0.00009 0.00006 0.00009 0.00006 -0.00005 -0.00002 -0.00001 0.00001 0.00004 0.00003 0.00000 -0.00000 0.00003 0.00002 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00002 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00002 0.00000 0.00002 0.00001 -0.00002 -0.00001 0.00000 0.00000 -0.00003 0.00000 -0.00002 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00002 0.00003 -0.00001 -0.00000 0.00000 -0.00000 0.00002 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 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 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00002 -0.00000 -0.00004 0.00002 -0.00005 0.00003 0.00003 0.00002 -0.00003 0.00004 -0.00003 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00003 -0.00002 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00002 -0.00003 -0.00002 -0.00028 -0.00027 -0.00028 -0.00009 -0.00007 0.00001 0.00002 -0.00005 -0.00003 -0.00007 -0.00004 0.00006 0.00004 0.00005 0.00003 -0.00005 -0.00005 -0.00005 -0.00006 -0.00006 -0.00006 -0.00004 -0.00004 -0.00004 0.00009 0.00008 0.00009 0.00008 0.00007 0.00008 0.00007 0.00006 0.00007 0.00002 0.00001 0.00000 -0.00001 0.00029 0.00029 0.00025 0.00025 0.00027 0.00027 -0.00009 -0.00008 -0.00006 -0.00006 -0.00006 -0.00006 -0.00002 -0.00007 -0.00001 -0.00006 0.00020 0.00019 0.00020 0.00019 0.00020 0.00019 -0.00002 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00004 0.00002 0.00003 0.00001 0.00002 0.00001 0.00002 0.00000 -0.00004 -0.00003 -0.00002 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00002 0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00000 -0.00002 0.00000 -0.00001 0.00001 0.00001 -0.00002 -0.00000 -0.00003 0.00001 0.00004 -0.00001 0.00001 3.29189 3.29501 2.58982 2.72230 2.27763 2.60227 2.61752 2.17648 2.83479 2.90220 2.86818 2.87015 2.90095 2.80159 2.05187 2.79371 2.04602 2.05628 2.06724 2.06812 2.06601 2.06394 2.06898 2.51493 2.04880 2.87625 2.77910 2.06916 2.63783 2.63461 2.63121 2.04358 2.63691 2.04663 2.63516 2.62676 2.04780 2.04622 2.62913 2.63737 2.63201 2.04650 2.63167 2.04624 2.63309 2.04795 2.63473 2.04888 2.04659 2.04675 2.10211 2.07185 2.07641 2.10923 2.00182 1.97764 2.15853 2.01128 2.09101 1.97097 1.98862 2.20350 2.00633 2.12048 2.03167 1.92826 1.96170 1.92976 1.90889 1.88796 1.89130 1.88215 1.92231 1.96401 1.92440 1.88220 1.88196 1.88650 2.14439 2.08736 2.05090 2.14180 1.96270 2.17824 1.99941 2.13839 2.14538 1.88091 1.90916 1.89060 1.97831 1.93018 1.87311 2.05554 2.12775 2.09939 2.08572 2.10431 2.09274 2.08502 2.10338 2.09472 2.13526 2.04010 2.10682 2.10780 2.08759 2.08759 2.08097 2.07704 2.12514 2.03789 2.13508 2.10866 2.08456 2.07593 2.12266 2.07915 2.09511 2.10892 2.10209 2.08562 2.09533 2.10552 2.08262 2.09504 2.08628 2.09804 2.09882 3.14286 3.13400 0.05710 -3.05348 2.59759 -1.52769 0.50877 0.64148 -2.54800 -2.50212 0.69907 -2.45279 0.13992 0.07750 2.67021 0.00379 2.53561 -2.46489 0.06694 -0.52803 -2.63973 1.57341 0.71486 -1.39684 2.81630 -3.09114 1.08034 -0.98971 2.71621 0.61551 -1.49212 1.51411 -0.58658 -2.69422 -1.00550 -3.10620 1.06935 2.26407 -0.17370 -0.15488 -2.59264 -2.68127 0.49638 -1.40924 1.76841 1.00291 -2.10263 -0.80612 2.36725 0.44847 -2.66135 2.92293 -0.18689 0.04319 -3.09443 -3.13375 0.01182 -0.69840 2.47734 -2.81370 0.36204 1.36514 -1.74231 -3.13686 0.03563 -0.02884 -3.13953 3.10627 -0.04784 -0.00034 3.12874 3.12926 0.03735 -0.04302 -3.13493 0.02168 3.14139 -3.10746 0.01225 -3.11088 0.03986 -0.01634 3.13440 -0.01342 3.11877 -3.13313 -0.00094 -3.09231 0.05702 -0.00935 3.13999 3.09497 -0.04823 0.01534 -3.12786 -0.00274 -3.12640 3.13090 0.00723 -0.00938 3.13467 3.13384 -0.00530 0.00858 -3.12186 3.13214 0.00170 -0.00244 3.12799 3.13668 -0.01607 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000006 0.000001 0.001360 0.000252 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.775312e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.742 1.7436 1.3705 1.4406 1.2053 1.3771 1.3851 1.1517 1.5001 1.5358 1.5178 1.5188 1.5351 1.4825 1.0858 1.4784 1.0827 1.0881 1.0939 1.0944 1.0933 1.0922 1.0949 1.3308 1.0842 1.5221 1.4706 1.095 1.3959 1.3942 1.3924 1.0814 1.3954 1.083 1.3945 1.39 1.0836 1.0828 1.3913 1.3956 1.3928 1.083 1.3926 1.0828 1.3934 1.0837 1.3942 1.0842 1.083 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 117.2702 120.4414 118.7091 118.9691 120.8503 114.6948 113.3108 123.6768 115.2368 119.8091 112.9264 113.9379 126.2501 114.956 121.4926 116.4078 110.4813 112.3968 110.5671 109.3717 108.1721 108.3632 107.8394 110.1402 112.5295 110.2602 107.8417 107.8281 108.0887 122.8645 119.5973 117.5075 122.7162 112.4539 124.8039 114.558 122.5206 122.921 107.7668 109.3877 108.3236 113.3484 110.5915 107.321 117.7734 121.9117 120.2858 119.503 120.5686 119.9048 119.4628 120.5146 120.0187 122.3405 116.8893 120.7125 120.7681 119.61 119.6102 119.2305 119.0059 121.7615 116.7616 122.3318 120.8172 119.4367 118.9424 121.6194 119.1267 120.0412 120.832 120.4412 119.4969 120.0539 120.6374 119.3254 120.0371 119.535 120.2084 120.2535 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A81 6 17 15 10 -1 180.0732 -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 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 3 3 3 3 3 5 5 5 5 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 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 3.273 -174.9505 148.8469 -87.5146 29.1666 36.7591 -145.9857 -143.3613 40.0526 -140.5314 8.0183 4.4445 152.9942 0.2137 145.2776 -141.2304 3.8336 -30.251 -151.2425 90.1525 40.9618 -80.0297 161.3653 -177.1073 61.9012 -56.7038 155.6221 35.2617 -85.4974 86.7475 -33.613 -154.3721 -57.6153 -177.9757 61.2652 129.7204 -9.9526 -8.8739 -148.5469 -153.6422 28.4239 -80.758 101.3081 57.4471 -120.4868 -46.1823 135.638 25.6989 -152.4808 167.4753 -10.7044 2.476 -177.2939 -179.5495 0.6806 -40.027 141.9301 -161.2248 20.7323 78.2051 -99.8378 -179.7279 2.0414 -1.6518 -179.8825 177.976 -2.7413 -0.0187 179.264 179.2911 2.1386 -2.4662 -179.6188 1.2413 179.9882 -178.045 0.7018 -178.2381 2.2858 -0.9354 179.5884 -0.7684 178.6927 -179.5153 -0.0542 -177.1775 3.2668 -0.5363 179.9081 177.3289 -2.7628 0.8784 -179.2133 -0.1557 -179.1291 179.3877 0.4143 -0.536 179.6032 179.5564 -0.3043 0.4909 -178.8686 179.4586 0.0991 -0.1407 179.2185 179.7191 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0626956711 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6321,.0084,2.0876;4.4412,-.2549,1.4852;-1.62,-1.3837,.0693;-1.7484,-2.7002,1.8775;-.7789,3.4776,-.2825;-4.5807,-2.3839,-1.1052;.753,-3.266,-.6475;1.1561,-1.8697,-.3022;.2807,-2.6421,.6553;-.2064,-3.4901,-1.791;1.7643,-4.3762,-.4899;2.5395,-1.5185,.0865;-1.1199,-2.2766,.951;2.8318,-.7008,1.0879;-2.9303,-.8964,.2761;-2.9811,.5601,-.1398;-3.8607,-1.7272,-.4971;-1.8335,1.3323,-.0269;-4.1716,1.1355,-.5636;-1.8747,2.6773,-.3709;-4.2046,2.487,-.8721;-3.0615,3.2631,-.7879;.458,2.9519,-.5412;1.4835,3.2435,.3429;.699,2.1862,-1.6762;2.7604,2.7623,.0916;1.9769,1.7049,-1.9106;3.0115,1.9874,-1.0295;.6538,-1.0877,-.8665;.7675,-3.0389,1.5387;-.8732,-2.6488,-1.964;-.8215,-4.374,-1.6153;.3525,-3.658,-2.7131;1.2613,-5.3294,-.3223;2.4412,-4.2085,.3481;2.3694,-4.4773,-1.3931;3.3619,-1.9079,-.5023;-3.2054,-.9908,1.3326;-.9053,.897,.3184;-5.07,.5403,-.6638;-5.1309,2.9372,-1.2025;-3.079,4.3133,-1.0469;1.2788,3.8395,1.2223;-.1019,1.9713,-2.3723;3.5589,2.9829,.787;2.165,1.1113,-2.7958;4.006,1.6055,-1.2152; 0.000000 2.885054 0.000000 4.072784 6.325933 0.000000 4.336823 6.666707 2.240464 0.000000 4.844125 6.656198 4.945985 6.615936 0.000000 7.383479 9.624859 3.338501 4.125388 7.034750 0.000000 4.356085 5.217125 3.112607 3.599058 6.925029 5.425505 0.000000 3.076542 4.073642 2.842704 3.725205 5.686640 5.815495 1.493791 0.000000 3.301917 4.867999 2.353656 2.369509 6.281089 5.176789 1.519766 1.509847 0.000000 5.537464 6.542263 3.145782 4.057084 7.152064 4.563775 1.509427 2.588202 2.634548 0.000000 5.087815 5.296482 4.552086 4.555516 8.257894 6.678815 1.509980 2.586071 2.553376 2.522271 0.000000 2.675708 2.677629 4.161730 4.794832 6.009040 7.270921 2.604632 1.479272 2.586136 3.866846 3.016583 0.000000 3.753212 5.941314 1.350901 1.197029 5.894791 4.026966 2.653702 2.629908 1.477420 3.134595 3.847489 3.835828 0.000000 1.715161 1.716657 4.617631 5.059587 5.689790 7.911241 3.730067 2.471182 3.234781 5.029850 4.139787 1.325484 4.256542 0.000000 4.991510 7.497488 1.413172 2.686095 4.906337 2.616243 4.476050 4.240320 3.674446 4.291832 5.893637 5.508317 2.374419 5.822271 0.000000 5.152421 7.641721 2.382122 4.027247 3.658147 3.486801 5.370364 4.800723 4.639555 5.179730 6.856288 5.903320 3.563819 6.073489 1.515549 0.000000 6.313816 8.661410 2.336614 3.323810 6.052595 1.148633 4.865948 5.022656 4.395063 4.258635 6.217576 6.430198 3.148172 6.953855 1.467638 2.476525 0.000000 4.270146 6.646598 2.726076 4.460446 2.404058 4.745587 5.312263 4.389358 4.553136 5.386604 6.763579 5.221412 3.806584 5.209724 2.502415 1.387898 3.700260 0.000000 6.479384 8.961665 3.641080 5.152102 4.132171 3.584278 6.605487 6.122422 5.964808 6.214928 8.100580 7.246063 4.821784 7.426125 2.524833 1.388525 2.880336 2.407009 0.000000 5.046303 7.206506 4.092655 5.829983 1.359858 5.785938 6.504194 5.464961 5.830471 6.544982 7.937797 6.107324 5.182496 5.974197 3.782049 2.400004 4.833196 1.388839 2.773034 0.000000 6.997895 9.371482 4.748530 6.364041 3.614457 4.891008 7.597762 6.931299 6.982725 7.249541 9.103725 7.902280 5.960818 7.969611 3.793407 2.397145 4.244861 2.769458 1.386666 2.390727 0.000000 6.394683 8.592673 4.940145 6.662581 2.347754 5.856383 7.563052 6.661067 6.937161 7.400231 9.040815 7.416181 6.122265 7.345912 4.295436 2.780795 5.062270 2.411445 2.410216 1.387640 1.384175 0.000000 4.117488 5.500499 4.846428 6.531838 1.368632 7.360537 6.225824 4.877738 5.723241 6.595685 7.443817 4.971031 5.661629 4.650924 5.192100 4.208282 6.367717 2.852782 4.973228 2.355032 4.697377 3.541862 0.000000 3.678598 4.721337 5.578291 6.937426 2.358904 8.398789 6.624835 5.164129 6.015326 7.263007 7.670239 4.884411 6.133465 4.234408 6.051844 5.231341 7.346770 3.846005 6.102946 3.479678 5.865427 4.683668 1.385084 0.000000 4.447478 5.473313 4.600902 6.518880 2.407128 7.006223 5.548670 4.306632 5.377997 5.749217 6.753329 4.496582 5.488849 4.530313 5.146427 4.306774 6.123441 3.140504 5.105341 2.927333 4.978182 4.011274 1.390175 2.410456 0.000000 3.583448 3.724286 6.031307 7.304580 3.630118 9.044693 6.396555 4.917708 5.972699 7.172058 7.231068 4.286462 6.417591 3.604227 6.767798 6.153682 8.021290 4.812684 7.150357 4.658891 7.036680 5.909199 2.395251 1.387453 2.775997 0.000000 4.356983 4.630856 5.137810 6.901685 3.658921 7.769784 5.272897 4.004817 5.325143 5.636455 6.248502 3.833438 5.799308 3.938183 5.969037 5.387852 6.917809 4.266903 6.320044 4.260493 6.316755 5.392070 2.395294 2.772956 1.385527 2.395980 0.000000 3.941556 3.659943 5.832863 7.285685 4.140744 8.761043 5.731068 4.341516 5.632734 6.398315 6.507110 3.709380 6.258837 3.426647 6.732453 6.224208 7.830072 4.990819 7.248445 4.978489 7.235098 6.210284 2.772925 2.407502 2.409462 1.385762 1.388027 0.000000 3.299266 4.535240 2.476584 3.987561 4.820262 5.397895 2.191593 1.087340 2.207074 2.714150 3.491372 2.156303 2.804116 2.951770 3.766680 4.056594 4.574577 3.570419 5.321535 4.562230 6.031784 5.721784 4.057355 4.572744 3.372794 4.491920 3.261783 3.878316 0.000000 3.214731 4.609764 3.255654 2.561091 6.940625 6.001883 2.198082 2.215197 1.083947 3.498495 2.626302 2.749660 2.118686 3.151394 4.456228 5.460970 5.223580 5.322016 6.800024 6.580468 7.814704 7.732375 6.349130 6.435127 6.135303 6.302295 5.988683 6.074115 3.099251 0.000000 5.454600 6.772819 2.508442 3.940286 6.353633 3.814822 2.181452 2.736170 2.862184 1.087359 3.480433 4.138687 2.948979 5.180340 3.510052 4.250626 3.453443 4.530323 5.211630 5.648720 6.218261 6.412645 5.929941 6.752424 5.092332 6.834319 5.203934 6.120369 2.444073 3.887570 0.000000 6.239906 7.367228 3.523828 3.982509 7.963999 4.283956 2.154798 3.450560 3.060991 1.091063 2.820025 4.727151 3.327717 5.843447 4.485328 5.584472 4.182449 6.009112 6.533296 7.237293 7.685799 8.001714 7.513951 8.195962 6.734371 8.165118 6.698612 7.449997 3.679292 3.775582 1.760865 0.000000 6.174673 6.776754 4.099394 5.138618 7.622606 5.342775 2.140255 3.107426 3.518989 1.091281 2.729763 4.147043 4.183543 5.416586 5.228656 5.960488 5.137146 6.074352 6.932928 7.112126 7.868783 7.953819 6.958359 7.632100 5.945550 7.408347 5.660666 6.463373 3.179208 4.316685 1.755609 1.759631 0.000000 5.868314 6.255394 4.901443 4.561839 9.040278 6.589214 2.149797 3.461350 3.023081 2.773864 1.090687 4.040275 4.075666 5.087153 6.130179 7.260689 6.264320 7.351447 8.448066 8.599073 9.553789 9.629874 8.323045 8.601535 7.657236 8.239747 7.246803 7.556376 4.319441 2.992302 3.799598 2.631049 3.055391 0.000000 4.632780 4.574308 4.954899 4.708182 8.357176 7.399225 2.174759 2.746714 2.686240 3.478807 1.090253 2.704478 4.096020 3.606082 6.310964 7.237359 6.825393 7.008182 8.550978 8.158339 9.512408 9.348553 7.483007 7.513283 6.930027 6.982778 6.347108 6.372768 3.796025 2.363674 4.331752 3.811478 3.746577 1.760138 0.000000 5.725399 5.514134 5.255912 5.550807 8.627005 7.264253 2.153092 3.075985 3.453484 2.787123 1.091847 3.312468 4.744813 4.542125 6.610304 7.454833 6.868835 7.299509 8.658910 8.381285 9.591198 9.474971 7.718302 7.962987 6.875507 7.400563 6.216229 6.506672 3.835407 3.637407 3.766204 3.200305 2.545926 1.760825 1.763265 0.000000 3.656784 2.801335 5.041918 5.692657 6.796912 7.979665 2.944795 2.215194 3.372336 4.110644 2.940252 1.083792 4.725963 2.065607 6.420339 6.815914 7.224925 6.141445 8.125273 6.961606 8.758102 8.251152 5.661457 5.547954 5.023048 4.746074 4.117547 3.946428 2.852952 3.489369 4.541143 4.982069 4.123952 4.018876 2.619816 2.894861 0.000000 4.997022 7.683527 2.064919 2.311287 5.335090 3.126446 4.976625 4.740048 3.916459 4.999722 6.283357 5.902182 2.479579 6.049177 1.095739 2.150204 2.078297 3.021181 3.008380 4.257631 4.237255 4.755308 5.698863 6.394948 5.864376 7.156569 6.681489 7.286964 4.442870 4.474530 4.365228 5.081217 6.011689 6.443122 6.573245 7.117859 6.880255 0.000000 3.218392 5.592238 2.402995 4.010214 2.652601 5.128341 4.584084 3.505587 3.747685 4.917814 5.965478 4.213670 3.243187 4.136530 2.705320 2.152359 4.035658 1.081799 3.391723 2.141100 3.851097 3.386986 2.611513 3.348570 2.866026 4.119146 3.732064 4.283336 2.788116 4.447324 4.216989 5.615124 5.614275 6.623655 6.104605 6.521966 5.172041 3.143774 0.000000 7.264377 9.783331 4.017636 5.290785 5.214090 2.997528 6.956703 6.686030 6.363753 6.416287 8.420782 7.918713 5.113286 8.188236 2.743347 2.153682 2.575198 3.392360 1.082333 3.855145 2.140596 3.385708 6.032385 7.160276 6.084017 8.174481 7.250513 8.218195 5.954252 7.192914 5.428935 6.565460 7.157420 8.640320 8.943897 9.002942 8.781617 3.131505 4.293823 0.000000 8.071018 10.442166 5.710844 7.260067 4.480943 5.350361 8.567888 7.965141 7.991575 8.118318 10.076594 8.963832 6.921680 9.049092 4.661075 3.376636 4.885457 3.851084 2.138804 3.370743 1.081627 2.135544 5.627944 6.799511 5.897165 7.998606 7.248562 8.199489 7.055171 8.832855 7.064767 8.496777 8.708984 10.486747 10.526290 10.548287 9.802746 5.056016 4.932714 2.457445 0.000000 7.110038 9.156085 5.985825 7.714440 2.563899 6.863758 8.502379 7.531310 7.909654 8.348584 9.963735 8.176960 7.159405 8.039701 5.377140 3.862542 6.115670 3.387930 3.394939 2.141019 2.152368 1.081826 3.823592 4.888074 4.381122 6.148210 5.754353 6.519593 6.567882 8.691158 7.360527 8.993827 8.837035 10.599312 10.248933 10.347966 8.971412 5.814788 4.273222 4.283267 2.475517 0.000000 3.943543 5.180199 6.083926 7.236100 2.574743 8.859001 7.366270 5.910575 6.582474 8.062884 8.406338 5.620362 6.575313 4.800504 6.406264 5.545876 7.769154 4.187180 6.340954 3.719364 6.023524 4.817815 2.138147 1.081934 3.386926 2.152744 3.854834 3.391716 5.388051 6.904654 7.542029 8.940092 8.518136 9.298165 8.178433 8.786350 6.351957 6.591859 3.774321 7.399264 6.912165 4.936016 0.000000 5.172080 6.362041 4.418276 6.526441 2.663519 6.374362 5.579867 4.541016 5.531300 5.493230 6.878718 5.020068 5.488628 5.264915 4.820491 3.907083 5.596778 2.984502 4.531203 2.765298 4.398666 3.596955 2.151242 3.391824 1.082666 3.858614 2.146087 3.390703 3.492206 6.415096 4.701772 6.430661 5.657847 7.704574 7.215098 6.974994 5.526596 5.668471 3.006491 5.445012 5.252826 4.013077 4.279931 0.000000 3.775201 3.427680 6.811992 7.852031 4.494986 9.931592 6.998587 5.523397 6.511864 7.919877 7.681686 4.668272 7.041380 3.766817 7.577567 7.035708 8.881763 5.697768 8.062127 5.564057 7.954271 6.810951 3.373545 2.138293 3.857641 1.081670 3.378380 2.142536 5.267193 6.679747 7.676468 8.892864 8.162936 8.695069 7.290980 7.862734 5.061768 7.864141 4.949691 9.084562 8.914798 7.013961 2.474359 4.940270 0.000000 5.034679 5.037274 5.362736 7.188982 4.536752 7.783190 5.076333 4.015194 5.435769 5.273120 5.965747 3.919606 6.025489 4.337167 6.279230 5.817244 7.046280 4.868571 6.718246 4.965047 6.794425 5.998149 3.374105 3.855150 2.134918 3.378935 1.082227 2.145706 3.292555 6.161538 4.905154 6.356148 5.102690 6.958208 6.185486 5.765541 3.975981 7.092470 4.378375 7.564100 7.687806 6.388342 4.937015 2.461242 4.275832 0.000000 4.369790 3.307903 6.499010 7.824159 5.222046 9.468866 5.885251 4.586149 5.951348 6.636418 6.429054 3.688425 6.785181 3.464380 7.523024 7.146315 8.573739 5.965431 8.216989 6.036969 8.264919 7.271884 3.854268 3.387274 3.389115 2.144157 2.147271 1.081362 4.314178 6.296231 6.516679 7.695425 6.579996 7.511573 6.220555 6.301649 3.642450 8.076964 5.193709 9.154932 9.233497 7.586734 4.286078 4.283443 2.471037 2.476313 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9226,-.2465,-1.7781;4.5938,-.4688,-.7109;-1.3789,1.5558,-.2164;-.9947,2.9593,-1.92;-1.3556,-3.3886,-.091;-4.3114,2.9645,.5333;1.0929,2.9946,1.0116;1.3334,1.5693,.6345;.7622,2.517,-.3928;-.0033,3.3166,1.9979;2.2723,3.9332,1.1018;2.6937,1.0181,.4503;-.6058,2.3967,-.9375;3.0263,.2119,-.5479;-2.6927,1.2967,-.668;-3.0338,-.1504,-.3739;-3.6055,2.2295,.0033;-2.014,-1.0916,-.3558;-4.3525,-.5454,-.1918;-2.3166,-2.4269,-.1227;-4.6419,-1.8869,.0071;-3.632,-2.8324,.0524;-.1164,-3.0822,.4025;.9895,-3.4936,-.3228;.0394,-2.4196,1.6147;2.2622,-3.2372,.1666;1.316,-2.1625,2.0877;2.4316,-2.5666,1.3674;.6294,.853,1.051;1.4477,2.8711,-1.1542;-.8094,2.5868,1.9983;-.4382,4.2955,1.7902;.4081,3.3486,3.0081;1.9556,4.9619,.9254;3.0497,3.698,.3744;2.7219,3.8927,2.096;3.4522,1.2415,1.1914;-2.7651,1.4838,-1.7452;-.9853,-.7961,-.5133;-5.1542,.1817,-.195;-5.6684,-2.1966,.1492;-3.8523,-3.877,.2274;.8508,-4.0068,-1.2652;-.8272,-2.1112,2.1857;3.1255,-3.5509,-.4046;1.437,-1.6492,3.0328;3.4257,-2.3594,1.7393; 0.1924035 0.1492117 0.0990432 -101.58021 -101.57959 -19.19853 -19.17849 -19.13159 -14.33074 -10.32444 -10.29802 -10.29774 -10.25502 -10.24851 -10.22442 -10.21943 -10.21485 -10.21069 -10.20918 -10.20871 -10.19452 -10.19282 -10.19022 -10.19012 -10.18900 -10.18848 -10.18759 -10.18511 -10.18302 -10.18147 -10.17585 -9.49551 -9.49514 -7.26027 -7.25982 -7.25012 -7.24983 -7.24981 -7.24936 -1.14843 -1.10908 -1.05613 -0.94545 -0.93182 -0.91470 -0.89202 -0.87466 -0.85731 -0.82702 -0.78650 -0.78396 -0.76897 -0.76650 -0.75335 -0.73901 -0.71423 -0.68431 -0.66099 -0.63730 -0.62973 -0.62781 -0.60745 -0.59488 -0.57598 -0.56572 -0.55484 -0.53520 -0.52451 -0.50966 -0.50806 -0.50660 -0.50261 -0.49348 -0.49029 -0.47668 -0.47471 -0.46063 -0.45802 -0.45494 -0.44304 -0.44045 -0.43188 -0.42928 -0.42487 -0.41796 -0.41445 -0.40589 -0.40286 -0.39661 -0.39464 -0.38631 -0.38484 -0.38128 -0.37801 -0.37087 -0.36479 -0.36049 -0.35837 -0.35168 -0.34667 -0.34442 -0.34035 -0.33710 -0.32593 -0.31630 -0.29431 -0.28030 -0.27397 -0.27080 -0.26329 -0.24024 -0.04613 -0.03937 -0.03296 -0.02538 -0.01956 -0.01549 -0.01398 -0.00894 -0.00301 0.00061 0.00535 0.01025 0.01298 0.01457 0.01844 0.02317 0.02626 0.03151 0.03302 0.03671 0.03849 0.04378 0.04707 0.04916 0.05215 0.05646 0.05946 0.06194 0.06564 0.07300 0.07389 0.07784 0.08356 0.08449 0.08715 0.08819 0.09263 0.09585 0.09923 0.10318 0.10329 0.10696 0.10757 0.11129 0.11298 0.11718 0.11786 0.12263 0.12622 0.12820 0.12959 0.13076 0.13336 0.13534 0.13722 0.14110 0.14463 0.14639 0.14851 0.14935 0.15257 0.15446 0.15967 0.16238 0.16249 0.16608 0.17069 0.17223 0.17396 0.17692 0.17893 0.18075 0.18301 0.18449 0.18653 0.19096 0.19179 0.19332 0.19887 0.19944 0.20045 0.20121 0.20595 0.20778 0.20834 0.21239 0.21501 0.21705 0.21783 0.22094 0.22173 0.22552 0.22814 0.23152 0.23231 0.23624 0.23718 0.23949 0.24347 0.24494 0.24758 0.24860 0.25122 0.25393 0.25585 0.25765 0.26082 0.26246 0.26426 0.26719 0.26820 0.27131 0.27435 0.27464 0.27812 0.27939 0.28280 0.28421 0.28693 0.28810 0.29247 0.29417 0.29853 0.30051 0.30277 0.30578 0.30984 0.31182 0.31660 0.31988 0.32105 0.32221 0.32648 0.32917 0.33425 0.33706 0.33862 0.34283 0.34916 0.35023 0.35397 0.35720 0.36021 0.36220 0.36416 0.37291 0.37716 0.37850 0.38066 0.38514 0.38674 0.39114 0.39711 0.40608 0.41134 0.41460 0.42813 0.43130 0.43805 0.44376 0.44861 0.45839 0.45924 0.46667 0.47941 0.48126 0.48801 0.48919 0.49373 0.50365 0.50712 0.51164 0.51711 0.52322 0.53217 0.53960 0.54670 0.54821 0.55146 0.55685 0.56145 0.56292 0.56828 0.56998 0.57766 0.58186 0.58290 0.58648 0.59644 0.59832 0.60167 0.60727 0.61233 0.61591 0.62124 0.63093 0.63254 0.63886 0.64169 0.64852 0.65270 0.65385 0.65652 0.66142 0.66471 0.66751 0.67007 0.67459 0.67704 0.68164 0.68777 0.68840 0.69501 0.69743 0.69881 0.70112 0.70535 0.70718 0.71159 0.71568 0.71812 0.72013 0.72660 0.73585 0.73920 0.74190 0.74471 0.74514 0.75117 0.75409 0.76018 0.76609 0.76741 0.77233 0.77755 0.78147 0.78539 0.79212 0.79784 0.80034 0.80776 0.81195 0.82354 0.82780 0.83199 0.83931 0.84020 0.84291 0.84555 0.84863 0.85220 0.86523 0.86995 0.87540 0.87897 0.88604 0.89490 0.90203 0.90722 0.91256 0.92026 0.92786 0.93036 0.93556 0.94163 0.94628 0.95105 0.95276 0.96201 0.96448 0.96677 0.97176 0.97680 0.98403 0.99002 1.00116 1.01229 1.01534 1.02214 1.03327 1.03751 1.04448 1.04694 1.05439 1.05859 1.06678 1.07036 1.07514 1.07724 1.08722 1.09805 1.10250 1.10383 1.11243 1.12424 1.12663 1.13232 1.14063 1.14431 1.15150 1.15985 1.16852 1.18260 1.19866 1.20689 1.21136 1.22228 1.23021 1.24323 1.25698 1.26332 1.27800 1.28620 1.29901 1.30353 1.31626 1.32393 1.32763 1.34232 1.35223 1.35697 1.38389 1.38749 1.39799 1.40005 1.41573 1.41870 1.42998 1.43976 1.45542 1.46990 1.47865 1.48649 1.49051 1.49575 1.50930 1.51265 1.51544 1.51920 1.52823 1.53346 1.53835 1.54018 1.55276 1.55364 1.56478 1.57604 1.58052 1.58403 1.58878 1.59458 1.59715 1.60454 1.61167 1.61823 1.62761 1.63194 1.63588 1.64786 1.65326 1.66009 1.67057 1.67569 1.67860 1.68829 1.69176 1.69847 1.70542 1.71031 1.71666 1.72393 1.72683 1.73947 1.74651 1.74901 1.75504 1.76007 1.76965 1.77706 1.78573 1.79383 1.80243 1.80995 1.82454 1.83576 1.83661 1.84883 1.85795 1.86300 1.87954 1.88339 1.88715 1.90514 1.90962 1.91863 1.92153 1.93077 1.93608 1.94135 1.94746 1.95074 1.95505 1.95890 1.96940 1.97365 1.98111 1.99188 1.99978 2.00282 2.01222 2.01728 2.02446 2.03464 2.03918 2.04426 2.06056 2.06933 2.08388 2.08728 2.08743 2.09659 2.10219 2.10475 2.11655 2.12252 2.13187 2.14915 2.16154 2.16722 2.19585 2.19808 2.21140 2.23986 2.24846 2.26417 2.26829 2.27561 2.28319 2.30798 2.32522 2.33504 2.34279 2.34533 2.35822 2.36944 2.37563 2.40154 2.40431 2.41465 2.41914 2.43864 2.44609 2.46783 2.47084 2.47883 2.48344 2.49377 2.50309 2.50703 2.51390 2.52523 2.54205 2.54505 2.55062 2.56472 2.56950 2.60095 2.60702 2.61696 2.62532 2.63814 2.64089 2.64373 2.65888 2.67084 2.67859 2.68832 2.70078 2.71271 2.72304 2.72671 2.72859 2.73702 2.74441 2.75474 2.75553 2.76275 2.77491 2.77651 2.78210 2.79106 2.79711 2.80580 2.80923 2.81625 2.82109 2.82647 2.83442 2.83805 2.84507 2.85003 2.86703 2.87705 2.88275 2.89250 2.90381 2.90494 2.92055 2.92514 2.93047 2.94399 2.94867 2.96386 2.97148 2.98148 2.98853 2.99482 3.00534 3.03186 3.04357 3.05416 3.06444 3.08760 3.09781 3.10955 3.12167 3.12824 3.13487 3.14548 3.15538 3.16897 3.17796 3.18365 3.20784 3.21192 3.22232 3.23250 3.26099 3.27849 3.29997 3.31868 3.33581 3.36623 3.37703 3.38358 3.38851 3.40928 3.42004 3.47834 3.50653 3.53318 3.54976 3.56441 3.59758 3.61495 3.62642 3.66530 3.68574 3.69357 3.72681 3.73103 3.74007 3.78343 3.80715 3.81527 3.83101 3.83820 3.87052 3.90039 3.98768 4.00975 4.02583 4.03667 4.04033 4.08979 4.11132 4.13965 4.14561 4.15587 4.16312 4.18012 4.20506 4.25837 4.31223 4.34479 4.55538 4.58201 4.62713 4.84516 4.85790 5.12292 5.13145 5.15571 5.24724 5.43124 5.45654 5.69096 5.90444 5.92527 9.80358 9.87009 23.53199 23.58461 23.62711 23.78017 23.82307 23.88854 23.89739 23.95642 23.96532 23.96849 23.97489 23.98561 23.99306 23.99971 24.08706 24.09176 24.10587 24.11593 24.20378 24.21072 24.21456 24.36319 25.97876 26.04903 26.17223 26.31581 26.66213 26.70815 35.88842 49.92013 49.98939 50.03376 215.80156 215.88222 1-A. 2.8976 -1.7701 1.9399 3.9106 -178.9916 -188.6269 -179.3414 19.2064 6.8456 6.7241 3.3284 -6.3069 2.9786 19.2064 6.8456 6.7241 45.5707 -7.9385 -0.1594 73.0372 -83.1501 -14.4984 22.6650 -8.3194 1.7528 22.6321 -7602.6062 -6140.4497 -1378.6614 381.9980 106.1852 263.2105 137.7251 -6.4036 44.7111 -2389.6465 -1546.6621 -1287.2368 -75.9162 -26.8881 15.0872 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.5988,.2056,1.9899;4.4578,-.335,1.6247;-1.6686,-1.4645,.1316;-1.7075,-2.7708,1.9778;-.7607,3.4214,-.3667;-4.8542,-2.4469,-.4648;.6933,-3.1864,-.8118;1.1399,-1.876,-.2342;.2354,-2.7935,.6005;-.2798,-3.176,-1.9765;1.6775,-4.3421,-.8611;2.5273,-1.6045,.2122;-1.1289,-2.3823,.9944;2.8221,-.7044,1.1472;-2.9515,-.908,.4777;-3.0044,.5119,-.0681;-4.0173,-1.7745,-.0478;-1.8506,1.291,.0331;-4.1687,1.0477,-.6166;-1.8607,2.5971,-.4494;-4.1717,2.3696,-1.0634;-3.0219,3.1473,-.9909;.515,2.9082,-.5331;1.5187,3.4552,.26;.811,1.9415,-1.4952;2.8324,3.0223,.0968;2.1278,1.5128,-1.6426;3.1421,2.0476,-.8495;.6202,-1.0015,-.614;.7135,-3.3393,1.4041;-.9447,-2.315,-1.9536;-.8938,-4.0814,-1.9724;.2797,-3.1546,-2.9168;1.1398,-5.2938,-.8842;2.3484,-4.3576,.0006;2.2892,-4.2807,-1.7671;3.3527,-2.1296,-.2552;-3.0423,-.9047,1.5688;-.9444,.8795,.4561;-5.0625,.4429,-.7079;-5.0754,2.7885,-1.4903;-3.0004,4.168,-1.3519;1.2551,4.2044,.9962;.0219,1.5335,-2.1144;3.6129,3.4374,.7238;2.3603,.7572,-2.3846;4.162,1.7006,-.9607; 0.000000 2.932514 0.000000 4.113146 6.406127 0.000000 4.448668 6.638495 2.261937 0.000000 4.632770 6.731239 4.994460 6.688575 0.000000 7.396088 9.774482 3.386577 3.996607 7.155660 0.000000 4.491600 5.314036 3.071417 3.703788 6.780545 5.607308 0.000000 3.080531 4.103537 2.861943 3.714987 5.629581 6.025623 1.500108 0.000000 3.575355 4.992193 2.368844 2.381662 6.368103 5.211462 1.535772 1.535115 0.000000 5.540422 6.594366 3.049974 4.223595 6.808025 4.872561 1.517773 2.596413 2.655719 0.000000 5.368049 5.474232 4.523603 4.688998 8.152451 6.812644 1.518822 2.600802 2.571854 2.536710 0.000000 2.701550 2.708097 4.199016 4.734050 6.033729 7.460201 2.629571 1.482535 2.610977 3.891027 3.060897 0.000000 3.889525 5.983370 1.370464 1.205273 5.972593 4.001422 2.688728 2.629308 1.478373 3.190188 3.893570 3.819003 0.000000 1.741993 1.743647 4.666385 5.047471 5.670162 8.034910 3.811748 2.471924 3.369519 5.048547 4.310038 1.330848 4.295217 0.000000 4.922593 7.519471 1.440577 2.695925 4.925074 2.622364 4.487584 4.264168 3.704948 4.278428 5.917224 5.529275 2.400540 5.815819 0.000000 5.051560 7.698531 2.393749 4.079652 3.686291 3.511901 5.282316 4.785815 4.676376 4.966450 6.790440 5.929317 3.608695 6.074831 1.522050 0.000000 6.293878 8.757697 2.375838 3.229663 6.140379 1.151741 4.976633 5.161537 4.420890 4.433185 6.299619 6.551962 3.130252 7.024934 1.470641 2.500733 0.000000 4.111621 6.706232 2.763241 4.505618 2.426202 4.820933 5.218489 4.363969 4.621300 5.143980 6.706695 5.251862 3.865016 5.201609 2.499026 1.395877 3.754746 0.000000 6.384942 9.019603 3.622357 5.231602 4.160739 3.564404 6.450189 6.072509 5.969299 5.900230 7.955406 7.249679 4.858095 7.419715 2.550258 1.394179 2.882883 2.419732 0.000000 4.861809 7.267891 4.107374 5.893120 1.377066 5.865405 6.332658 5.390502 5.878239 6.177356 7.800045 6.111043 5.235880 5.947835 3.786125 2.408632 4.891066 1.392379 2.784913 0.000000 6.877836 9.434527 4.732228 6.461064 3.636859 4.901311 7.389267 6.850240 6.989214 6.836304 8.905178 7.892886 6.006202 7.952958 3.821853 2.409274 4.269510 2.784491 1.395392 2.402035 0.000000 6.236187 8.655316 4.935597 6.750210 2.361733 5.910099 7.345121 6.567068 6.959582 6.962401 8.842690 7.404099 6.172688 7.318422 4.313611 2.792408 5.109226 2.422092 2.421525 1.394461 1.390026 0.000000 3.852867 5.542605 4.932606 6.595149 1.385134 7.583566 6.103602 4.834071 5.820019 6.303422 7.350289 4.996922 5.746819 4.604030 5.253760 4.283097 6.534902 2.921013 5.040453 2.397440 4.747308 3.574431 0.000000 3.682266 4.986604 5.863333 7.219610 2.364259 8.716316 6.777971 5.367395 6.388159 7.225626 7.879124 5.159430 6.451826 4.448389 6.250414 5.406410 7.621777 4.010939 6.237932 3.558074 5.942318 4.719841 1.391277 0.000000 3.972431 5.311860 4.516193 6.372682 2.436014 7.239794 5.174612 4.033802 5.209952 5.254591 6.374733 4.293605 5.353264 4.245902 5.115533 4.317154 6.262286 3.137432 5.135063 2.943038 5.019723 4.049638 1.395635 2.423413 0.000000 3.611072 4.030861 6.355452 7.596694 3.644842 9.450498 6.629439 5.193000 6.389165 7.239043 7.515749 4.638260 6.760780 3.871941 7.003305 6.355932 8.363531 4.993242 7.309209 4.743875 7.129545 5.955841 2.404209 1.392799 2.790829 0.000000 3.896661 4.418045 5.140504 6.794590 3.689773 8.112616 4.983041 3.800454 5.211217 5.281384 5.924006 3.649316 5.721212 3.630600 6.012918 5.460774 7.149242 4.322639 6.396502 4.302006 6.383857 5.442026 2.404007 2.786380 1.392622 2.408464 0.000000 3.719825 3.678247 6.036571 7.397943 4.165671 9.180923 5.778641 4.447662 5.829850 6.345515 6.555427 3.852619 6.423852 3.415073 6.901382 6.383446 8.155238 5.126303 7.382593 5.048759 7.324068 6.262958 2.782537 2.418240 2.421205 1.393371 1.394238 0.000000 3.032277 4.492607 2.451308 3.907165 4.640102 5.663962 2.195046 1.085805 2.198676 2.719369 3.512657 2.164065 2.748278 2.835164 3.735984 3.965575 4.735441 3.432114 5.208951 4.373963 5.876154 5.533515 3.911987 4.629623 3.078059 4.646529 3.106883 3.963892 0.000000 3.700393 4.805734 3.287634 2.552120 7.142590 5.940392 2.221259 2.237695 1.082708 3.527311 2.658293 2.778553 2.116124 3.384503 4.494622 5.551688 5.190072 5.467534 6.867682 6.730688 7.908583 7.859107 6.544008 6.937057 6.025198 6.831498 5.901369 6.324224 3.089787 0.000000 5.326659 6.775860 2.365463 4.030525 5.954701 4.185427 2.178580 2.737631 2.853963 1.088136 3.489821 4.153358 2.954516 5.137826 3.452216 3.973422 3.655805 4.215550 4.846563 5.218205 5.757734 5.922666 5.606274 6.653068 4.627139 6.852544 4.918214 6.078896 2.443088 3.882401 0.000000 6.347483 7.457544 3.446097 4.240705 7.673891 4.541945 2.160305 3.467162 3.090927 1.093939 2.813254 4.755164 3.426977 5.911293 4.506403 5.401749 4.333871 5.813828 6.234657 6.917829 7.292940 7.599113 7.274004 8.222173 6.277708 8.284254 6.366613 7.423860 3.690962 3.812472 1.767264 0.000000 6.091494 6.784738 3.993187 5.296538 7.129532 5.733257 2.145526 3.093768 3.536105 1.094403 2.754953 4.152758 4.228290 5.383596 5.197188 5.687126 5.347945 5.744938 6.537507 6.614483 7.332662 7.370493 6.518854 7.437538 5.317312 7.331608 5.179161 6.287275 3.170939 4.346587 1.769772 1.768601 0.000000 6.222010 6.472543 4.856176 4.760573 8.935015 6.648940 2.155361 3.479073 3.045281 2.773671 1.093285 4.091238 4.141569 5.293269 6.150481 7.179504 6.299251 7.289948 8.274420 8.453225 9.325874 9.411852 8.233244 8.831600 7.268485 8.543092 6.919599 7.609587 4.332027 3.039420 3.789721 2.605660 3.073636 0.000000 5.034041 4.823841 4.952115 4.783002 8.385398 7.466207 2.184240 2.770231 2.696471 3.494612 1.092191 2.767065 4.120775 3.858104 6.341615 7.236586 6.869971 7.038427 8.489450 8.141620 9.428649 9.281533 7.512557 7.861023 6.654329 7.396410 6.100065 6.509934 3.824616 2.383221 4.339993 3.805325 3.773293 1.766311 0.000000 5.892229 5.637069 5.215445 5.681340 8.401598 7.489141 2.158055 3.074707 3.469245 2.804304 1.094856 3.337187 4.786805 4.644042 6.624171 7.340136 7.000680 7.171024 8.451086 8.140157 9.298734 9.164414 7.506782 8.034151 6.401215 7.556695 5.797135 6.451123 3.855989 3.664150 3.789110 3.195836 2.574502 1.768313 1.770354 0.000000 3.683661 2.824248 5.079855 5.567997 6.909845 8.215641 2.915253 2.227346 3.300011 4.153602 2.840525 1.084176 4.659374 2.068676 6.463102 6.886493 7.381397 6.233582 8.172928 7.039707 8.804100 8.307931 5.788685 5.900722 4.956949 5.190039 4.085607 4.224469 2.977826 3.343976 4.624500 4.978990 4.192553 3.912076 2.457269 2.836208 0.000000 4.790587 7.521956 2.065421 2.330496 5.260000 3.130030 4.982770 4.656693 3.904924 5.035834 6.324328 5.774993 2.484820 5.882910 1.094950 2.165139 2.078591 2.932533 3.139610 4.210951 4.350370 4.792913 5.622411 6.443989 5.686641 7.218116 6.548891 7.267166 4.264746 4.478840 4.335448 5.219943 6.018222 6.539942 6.590976 7.137998 6.761861 0.000000 3.045414 5.659056 2.474618 4.027705 2.678126 5.215274 4.562985 3.523223 3.860472 4.775581 5.989546 4.275772 3.311057 4.143987 2.687714 2.157157 4.091419 1.081415 3.402247 2.146994 3.865877 3.398974 2.687834 3.569308 2.831482 4.357245 3.774166 4.446233 2.670425 4.630907 4.001367 5.523615 5.398971 6.651993 6.202969 6.482800 5.293870 2.970293 0.000000 7.190784 9.832773 3.982647 5.366273 5.243439 2.907461 6.805293 6.638618 6.344617 6.130277 8.267280 7.914777 5.133525 8.180725 2.772511 2.156399 2.538677 3.403640 1.083030 3.867708 2.152250 3.399730 6.100606 7.302299 6.112637 8.344535 7.329327 8.361296 5.864171 7.219947 5.110174 6.280653 6.808895 8.450384 8.858214 8.802426 8.811212 3.328802 4.301654 0.000000 7.957886 10.504371 5.685451 7.367230 4.503290 5.339433 8.332903 7.871744 7.983379 7.668713 9.840883 8.944129 6.963177 9.029198 4.695492 3.390389 4.901098 3.868139 2.148410 3.384470 1.083648 2.143590 5.673029 6.854961 5.947034 8.068911 7.316851 8.275694 6.897225 8.912815 6.581958 8.056882 8.126037 10.213637 10.411599 10.212140 9.835872 5.208809 4.949524 2.472668 0.000000 6.929731 9.206657 5.974857 7.804189 2.558185 6.926735 8.247545 7.410831 7.921123 7.856582 9.723456 8.143907 7.205155 7.992932 5.395836 3.874953 6.168234 3.393721 3.411995 2.140409 2.165462 1.082815 3.823051 4.850676 4.416412 6.118298 5.782120 6.517620 6.354284 8.817475 6.827612 8.536676 8.174864 10.338491 10.155011 9.976635 9.012393 5.853624 4.279063 4.306176 2.495522 0.000000 4.134809 5.590938 6.436790 7.641677 2.556199 9.148701 7.629477 6.204698 7.082868 8.103337 8.756256 5.998035 7.004942 5.155086 6.640900 5.736834 8.039625 4.365914 6.479557 3.792299 6.087635 4.833134 2.136992 1.082962 3.394883 2.166627 3.869088 3.408730 5.486135 7.574162 7.486198 9.060105 8.391588 9.683235 8.688796 8.983507 6.788627 6.700711 4.023087 7.547575 6.947174 4.860532 0.000000 4.592942 6.095050 4.109797 6.185809 2.689113 6.507019 4.942189 4.050873 5.112645 4.721203 6.231763 4.640796 5.130601 4.846346 4.639082 3.793354 5.615057 2.859588 4.476717 2.729028 4.403464 3.623732 2.152537 3.401628 1.082824 3.873601 2.158155 3.405850 3.005918 6.050017 3.971284 5.690865 4.763289 7.026722 6.677646 6.250346 5.288522 5.375954 2.822963 5.386962 5.286497 4.081210 4.281403 0.000000 4.013009 3.969436 7.229982 8.271686 4.507483 10.379230 7.399753 5.938426 7.088423 8.135196 8.171817 5.182707 7.511768 4.237829 7.876140 7.278281 9.272415 5.910445 8.249874 5.660546 8.058149 6.858880 3.384722 2.144936 3.874515 1.083726 3.392547 2.151381 5.518091 7.402227 7.812123 9.171223 8.235182 9.216003 7.929952 8.217425 5.658394 7.991193 5.232910 9.288633 8.989370 6.969766 2.494268 4.957289 0.000000 4.474455 4.654838 5.244033 6.930024 4.572866 8.124131 4.561276 3.612162 5.102342 4.754720 5.365715 3.514143 5.783575 3.850127 6.259506 5.848632 7.248753 4.884953 6.770445 4.994700 6.856629 6.051722 3.385271 3.870591 2.143346 3.392768 1.084218 2.152389 3.042443 5.817961 4.532945 5.845645 4.462592 6.352616 5.643693 5.076186 3.721936 6.897873 4.359606 7.616368 7.759877 6.437176 4.953251 2.478663 4.291191 0.000000 4.184583 3.303803 6.723566 7.942214 5.248558 9.936742 5.994696 4.738393 6.168584 6.674010 6.534269 3.869239 6.963184 3.467325 7.712013 7.318906 8.933630 6.107939 8.363352 6.110449 8.361174 7.328192 3.865449 3.399367 3.401889 2.152424 2.153681 1.083010 4.468286 6.548650 6.571817 7.746964 6.516995 7.619717 6.396464 6.319299 3.977769 8.067700 5.362545 9.313286 9.316297 7.585607 4.306804 4.301067 2.481032 2.482652 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8654,-.1947,-1.695;4.647,.2176,-.8632;-1.6084,1.4391,-.218;-1.3369,2.8839,-1.9372;-.8964,-3.4989,.0131;-4.8248,2.4818,-.0278;.6206,3.0014,1.2049;1.1203,1.7246,.5965;.374,2.734,-.2872;-.5183,2.9352,2.206;1.6114,4.1155,1.4946;2.5531,1.4406,.3424;-.9234,2.4014,-.913;2.9663,.6054,-.6077;-2.8359,.9553,-.7962;-3.0029,-.4996,-.3814;-3.9495,1.815,-.3679;-1.8649,-1.3079,-.3715;-4.2488,-1.0356,-.0587;-1.9774,-2.646,-.0033;-4.3493,-2.387,.274;-3.2195,-3.1959,.3118;.3504,-3.0441,.4098;1.4505,-3.5628,-.2657;.5182,-2.1648,1.4805;2.7335,-3.1891,.127;1.8065,-1.7942,1.8577;2.9174,-2.3011,1.1848;.5295,.842,.822;.9808,3.3231,-.9632;-1.1911,2.1018,2.0141;-1.1041,3.8588,2.1834;-.1089,2.8225,3.2147;1.0979,5.0804,1.5139;2.4057,4.174,.7472;2.0768,3.9638,2.474;3.3093,1.8997,.9692;-2.7598,1.0389,-1.8853;-.8959,-.8965,-.6192;-5.1323,-.4092,-.0537;-5.3165,-2.8061,.5254;-3.276,-4.2414,.588;1.2852,-4.2439,-1.0914;-.3465,-1.7786,2.0055;3.5907,-3.5814,-.4076;1.9404,-1.1062,2.685;3.9161,-1.9988,1.4752; 0.1923488 0.1467967 0.0982113 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= 770 770 770 770 770 MxSgAt= 47 MxSgA2= 47. 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= 746 RedAO= T EigKep= 1.13D-06 NBF= 746 NBsUse= 743 1.00D-06 EigRej= 9.74D-07 NBFU= 743 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= 769 769 769 769 769 MxSgAt= 47 MxSgA2= 47. 1 1.13999361e+00 -6.96417647e-01 7.63212271e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 17 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.010282896 0.006522387 0.008703634 0.014128481 0.003321699 0.003000963 0.008944316 0.004683948 -0.009698880 -0.008234281 -0.005343666 0.012566656 -0.000857463 0.011857978 0.003220311 -0.004783778 -0.004180298 -0.004089016 0.000693727 -0.004536047 -0.004929688 0.003663157 0.006434579 -0.005025977 -0.003203242 -0.001292421 0.008174079 -0.003078355 0.000110120 -0.003213012 0.002770422 -0.003262967 0.000771413 0.000884705 -0.002268539 -0.004347971 0.010422480 -0.003259278 -0.001394795 -0.001291421 -0.004227968 -0.004885697 -0.010419074 0.002314526 0.000803987 -0.000167707 -0.000302605 0.001152250 0.000851216 0.001084132 0.002984237 0.004684296 -0.002594951 0.002917093 -0.005150923 -0.002517426 -0.000539297 -0.005910984 -0.003441495 -0.001615690 -0.004403713 0.002310203 -0.001606787 -0.001326863 0.005328238 -0.000902161 0.006367768 -0.003073355 -0.000224095 0.000497043 0.003419498 0.004077343 -0.002912644 -0.001130949 -0.004568571 0.003773792 0.001540814 0.003090470 0.000881842 -0.002807618 -0.004313170 0.004836699 -0.001631832 -0.001084977 -0.001660578 -0.000307270 0.001292025 -0.001237217 0.000746989 0.000104030 -0.001003512 0.001887572 0.001616052 -0.001002998 -0.001737965 0.000641128 0.001571599 -0.000399935 -0.001568264 -0.001318038 -0.001630275 0.000143456 0.000871188 0.000618221 0.001042971 0.001007043 0.000146413 -0.001886070 0.000609019 -0.000263322 -0.000069600 0.001805546 -0.001367384 0.000296004 -0.000371810 -0.000373653 -0.000905181 -0.000353680 -0.000919512 -0.000076752 -0.001341353 0.000627260 -0.000486916 0.001304384 0.000804922 -0.000051505 -0.001529222 0.000368589 0.000372140 -0.001233708 0.000231177 0.000751147 0.000968134 0.000134639 0.001019736 0.000328930 -0.000943375 -0.001239010 0.001209672 -0.000679799 -0.000018039 0.014128481 0.003848330 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2050.94550052846 -2050.94550213767 -0.000001609214 -2050.94550213716 0.000000000516 -2050.94550215245 -0.000000015292 -2050.94550215448 -0.000000002029 -2050.94550215397 0.000000000510 -2050.94550215443 -0.000000000462 -2050.94550215450 -0.000000000067 -2050.94550215430 0.000000000198 -2050.94550215 9 2.044067032856e+03 -1.076960773385e+04 3.699031274839e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414364904 LenY= 1413765054 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) PT330661.600S 2024-10-10T00:45:17.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.349817 -0.075463 0.164982 -0.179023 0.005913 -0.222611 0.410062 0.240966 0.003873 -0.503283 -0.381576 -2.026554 -0.363591 1.004921 0.233050 0.565403 -0.491449 0.094269 -0.345249 -0.237954 -0.341751 -0.220155 -0.257044 -0.022053 -0.005967 -0.375702 -0.020023 -0.005840 0.213425 0.193620 0.157852 0.160871 0.145495 0.160638 0.148917 0.154776 0.168853 0.243418 0.181333 0.146048 0.134404 0.131342 0.126535 0.139912 0.142549 0.124311 0.127734 -0.00000 -101.58075 -101.58020 -19.19646 -19.17944 -19.13303 -14.33235 -10.32602 -10.30187 -10.29990 -10.25827 -10.25160 -10.22632 -10.22513 -10.21859 -10.21583 -10.21360 -10.21286 -10.19833 -10.19674 -10.19423 -10.19335 -10.19275 -10.19072 -10.19007 -10.18668 -10.18623 -10.18446 -10.17802 -9.49529 -9.49505 -7.26021 -7.25986 -7.24988 -7.24972 -7.24964 -7.24933 -1.13624 -1.09917 -1.04977 -0.93672 -0.93084 -0.90971 -0.88995 -0.87168 -0.85336 -0.82342 -0.78692 -0.78257 -0.76759 -0.76524 -0.75267 -0.73794 -0.71474 -0.68320 -0.65908 -0.63699 -0.62722 -0.62412 -0.60783 -0.59331 -0.57277 -0.56682 -0.55172 -0.53363 -0.52059 -0.50953 -0.50730 -0.50540 -0.50097 -0.48990 -0.48680 -0.47581 -0.46940 -0.46043 -0.45710 -0.45504 -0.44297 -0.44175 -0.43346 -0.42543 -0.42214 -0.41859 -0.41379 -0.40804 -0.40511 -0.39716 -0.39498 -0.38636 -0.38510 -0.38141 -0.37715 -0.37088 -0.36318 -0.35902 -0.35652 -0.35326 -0.34577 -0.34402 -0.34039 -0.33849 -0.32714 -0.32030 -0.29606 -0.27982 -0.27395 -0.27228 -0.26276 -0.24005 -0.04990 -0.04712 -0.03516 -0.02811 -0.02432 -0.01607 -0.01539 -0.01198 -0.00543 0.00026 0.00479 0.00801 0.01208 0.01259 0.01756 0.02182 0.02619 0.03059 0.03278 0.03609 0.03707 0.04421 0.04512 0.04575 0.05051 0.05843 0.06112 0.06419 0.06742 0.06970 0.07349 0.07753 0.08175 0.08230 0.08704 0.08961 0.09336 0.09469 0.09749 0.10011 0.10343 0.10409 0.10653 0.10841 0.11312 0.11517 0.11869 0.12195 0.12415 0.12693 0.12831 0.12930 0.13053 0.13369 0.13755 0.13893 0.14096 0.14348 0.14771 0.15009 0.15218 0.15338 0.15752 0.16072 0.16112 0.16253 0.16765 0.16983 0.17209 0.17284 0.17574 0.18104 0.18184 0.18446 0.18526 0.18923 0.19138 0.19359 0.19531 0.19817 0.20165 0.20260 0.20413 0.20715 0.20993 0.21293 0.21618 0.21743 0.21894 0.21995 0.22153 0.22338 0.22836 0.22970 0.23227 0.23322 0.23659 0.23743 0.24079 0.24404 0.24519 0.24654 0.24739 0.25101 0.25232 0.25424 0.25869 0.26014 0.26210 0.26425 0.26594 0.26815 0.27081 0.27581 0.27593 0.27836 0.28144 0.28331 0.28448 0.28721 0.28852 0.29030 0.29430 0.29649 0.29977 0.30184 0.30448 0.30896 0.31084 0.31395 0.31991 0.32197 0.32335 0.32591 0.32844 0.33641 0.34192 0.34261 0.34775 0.35019 0.35189 0.35523 0.35742 0.36027 0.36725 0.37117 0.37176 0.37704 0.38067 0.38276 0.38882 0.39384 0.39796 0.40381 0.40866 0.41261 0.42708 0.43383 0.44240 0.44569 0.44938 0.45392 0.45972 0.46673 0.46999 0.47454 0.47921 0.48746 0.49342 0.49965 0.50349 0.50950 0.51050 0.51816 0.52954 0.53315 0.53763 0.54196 0.54407 0.54855 0.55923 0.56232 0.56375 0.56876 0.57129 0.57427 0.57799 0.58739 0.59177 0.59310 0.59463 0.60561 0.61120 0.61439 0.61806 0.62412 0.63159 0.63419 0.63920 0.65023 0.65085 0.65251 0.65602 0.65735 0.66034 0.66373 0.67090 0.67217 0.67626 0.67870 0.68119 0.68627 0.69141 0.69405 0.69850 0.69963 0.70185 0.70284 0.70775 0.71225 0.71826 0.71957 0.72533 0.73235 0.73661 0.73775 0.73861 0.74415 0.74521 0.75045 0.75811 0.76679 0.76719 0.77050 0.77804 0.78404 0.78847 0.79374 0.79433 0.79842 0.81102 0.81189 0.81925 0.82032 0.82416 0.82885 0.83437 0.84003 0.84617 0.85453 0.86113 0.86591 0.87461 0.87609 0.88549 0.88800 0.89183 0.90271 0.90947 0.91642 0.91895 0.92614 0.93072 0.93471 0.93988 0.94388 0.94888 0.95701 0.95908 0.96351 0.97224 0.97525 0.98615 0.99263 1.00608 1.00614 1.01622 1.02124 1.02689 1.02973 1.03419 1.03998 1.04410 1.05008 1.05953 1.06173 1.06807 1.07469 1.07879 1.08796 1.09062 1.09507 1.10517 1.10763 1.11412 1.11818 1.13297 1.13699 1.14216 1.14674 1.16119 1.16505 1.18378 1.19187 1.20575 1.21149 1.21429 1.22392 1.25149 1.25570 1.26305 1.26655 1.28391 1.29664 1.29951 1.31618 1.32439 1.33340 1.34618 1.35250 1.35660 1.36602 1.37591 1.38654 1.39474 1.40419 1.41388 1.42384 1.43450 1.45975 1.46387 1.47365 1.48023 1.48375 1.49440 1.49988 1.50682 1.51201 1.51641 1.51990 1.52796 1.53317 1.53397 1.53955 1.54429 1.55802 1.56356 1.57152 1.57465 1.58237 1.58646 1.59146 1.60163 1.60971 1.61391 1.61957 1.62938 1.63352 1.63681 1.65160 1.65534 1.65876 1.66570 1.67232 1.67825 1.68220 1.68900 1.69514 1.70738 1.70989 1.71602 1.72455 1.73711 1.73996 1.74977 1.75772 1.76161 1.76453 1.76813 1.77479 1.78316 1.79819 1.80006 1.81965 1.82582 1.83206 1.83816 1.85028 1.86159 1.86746 1.88224 1.88819 1.89432 1.90127 1.90538 1.91171 1.92125 1.92840 1.93359 1.94151 1.94828 1.95023 1.95730 1.96347 1.97007 1.97851 1.98172 1.99045 1.99629 2.00214 2.01106 2.01805 2.02236 2.02812 2.03446 2.04358 2.06215 2.07364 2.07882 2.08261 2.08913 2.09229 2.09771 2.11015 2.11733 2.13049 2.14443 2.14954 2.16008 2.18196 2.19083 2.20739 2.23579 2.24452 2.24907 2.25486 2.26682 2.27867 2.29390 2.31899 2.33387 2.33433 2.34715 2.35107 2.36682 2.37593 2.38748 2.39668 2.41056 2.41384 2.42014 2.43697 2.45788 2.46385 2.47185 2.47892 2.48752 2.49766 2.50172 2.51111 2.51663 2.52256 2.52513 2.53737 2.55311 2.56939 2.60076 2.60467 2.61428 2.61883 2.62264 2.63402 2.65191 2.65444 2.66560 2.67477 2.68458 2.69676 2.70751 2.71467 2.72087 2.72245 2.72780 2.73778 2.74573 2.75227 2.75362 2.76097 2.76362 2.77369 2.78312 2.78425 2.79460 2.80451 2.81242 2.81447 2.82101 2.82825 2.83891 2.84292 2.84819 2.85340 2.86581 2.87296 2.88272 2.89054 2.90388 2.92203 2.92592 2.92746 2.93733 2.94252 2.94978 2.96231 2.97300 2.99218 2.99320 3.00107 3.01496 3.01921 3.04125 3.05424 3.07006 3.08892 3.09563 3.10858 3.11464 3.12172 3.13064 3.13535 3.14905 3.15463 3.16597 3.18706 3.19248 3.20606 3.21678 3.23751 3.26266 3.26929 3.30016 3.31032 3.35753 3.36511 3.36735 3.38052 3.39163 3.41078 3.45486 3.48585 3.52474 3.54396 3.55111 3.57225 3.59650 3.60507 3.63423 3.64911 3.67756 3.70599 3.71260 3.72624 3.77491 3.80019 3.80938 3.82873 3.83430 3.85844 3.90962 3.98541 4.00657 4.01873 4.03156 4.03500 4.07765 4.10616 4.13105 4.14465 4.15104 4.16155 4.17558 4.19392 4.25160 4.28590 4.33465 4.52955 4.55612 4.62125 4.83420 4.84528 5.12275 5.12479 5.13935 5.23823 5.41654 5.43417 5.64901 5.87487 5.89182 9.79184 9.87512 23.52405 23.57871 23.62767 23.76443 23.79365 23.86177 23.87051 23.93655 23.94951 23.95229 23.96091 23.97486 23.98492 23.99175 24.06401 24.06869 24.08302 24.09453 24.17586 24.18600 24.19011 24.35166 25.95885 26.03769 26.17141 26.32343 26.62197 26.69184 35.88126 49.92030 49.97659 50.02037 215.78865 215.88783 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.148924 0.041090 0.188160 -0.160092 0.025636 -0.202642 0.634670 0.237918 -0.022658 -0.508925 -0.355801 -1.906560 -0.440391 0.836822 0.384220 0.704254 -0.611714 1.030243 -0.388137 -1.259841 -0.393715 -0.289784 -0.464695 0.064642 0.044356 -0.387688 0.024441 0.022704 0.224998 0.186050 0.163940 0.157881 0.146595 0.161028 0.143355 0.155337 0.168303 0.244406 0.167433 0.151595 0.137101 0.133873 0.129322 0.146812 0.133834 0.123585 0.129113 -0.00000 1.28236472e+00 -5.87535538e-01 1.00541385e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.2594 -1.4934 2.5555 4.4028 -185.6599 -183.1191 -180.0616 20.6248 2.4581 10.3819 -2.7130 -0.1722 2.8853 20.6248 2.4581 10.3819 97.8277 4.4098 -3.9231 61.8070 -99.7057 1.5174 15.4108 -1.2019 13.7455 14.8516 -8011.0087 -5969.4022 -1422.9211 468.2151 9.3068 230.8692 150.9843 -13.5707 58.5334 -2387.8974 -1557.1681 -1283.8097 -16.0471 -100.8538 19.1031 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -2050.9455022 5.083E-9 2.459E-6 -2.501405,1.8227642,0.6786408,-16.3552692,-0.9247581,5.3873488 C01[X(C22H19Cl2N1O3)] 1.4379175 0.4752948 -0.8408343 -0.000000028 -0.000000770 0.000000504 0.000001039 -0.000000231 0.000001966 -0.000002662 0.000001548 -0.000001648 -0.000000395 0.000000511 -0.000000444 -0.000001608 -0.000005811 -0.000003100 0.000000411 0.000000583 -0.000000158 0.000006280 -0.000006015 0.000003823 -0.000000506 0.000009505 -0.000005975 -0.000006893 0.000000316 0.000002565 -0.000001819 0.000002617 -0.000000920 -0.000000955 -0.000000190 -0.000000722 0.000000352 -0.000003179 0.000003912 0.000006154 -0.000003636 0.000002437 -0.000002130 -0.000001231 -0.000004962 -0.000001847 -0.000000020 -0.000003599 -0.000007701 -0.000000366 0.000000036 0.000001136 0.000000230 0.000000618 0.000001839 0.000004831 -0.000000515 0.000003500 -0.000003401 0.000002144 0.000009229 -0.000000087 0.000004069 0.000003450 0.000005317 -0.000000581 -0.000007086 -0.000001705 -0.000001491 -0.000002764 0.000003817 0.000003123 0.000001421 -0.000001216 -0.000000312 0.000001685 -0.000000459 -0.000000951 -0.000000346 0.000000245 -0.000001132 -0.000002087 -0.000000512 0.000001043 0.000000150 -0.000000131 0.000002238 0.000000168 -0.000000656 -0.000000270 0.000000811 -0.000000130 -0.000000428 0.000000604 -0.000001227 -0.000000156 0.000000393 0.000000006 -0.000000532 0.000000237 0.000000159 0.000000228 0.000000004 0.000000600 -0.000000774 -0.000000756 -0.000000207 -0.000000326 -0.000000090 0.000000406 0.000000193 -0.000000055 0.000000143 -0.000000406 -0.000000161 0.000000357 -0.000000180 0.000000047 -0.000000372 0.000000345 0.000000181 0.000000244 -0.000000569 0.000000044 -0.000000012 0.000000028 0.000000292 0.000000305 0.000000514 -0.000000229 -0.000000180 0.000000150 -0.000000209 0.000000215 0.000000263 0.000000114 -0.000000590 0.000000291 0.000000481 0.000000157 0.000000040 0.000000303 0.000000221 -0.000000379 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.5988,.2056,1.9899;4.4578,-.335,1.6247;-1.6686,-1.4645,.1316;-1.7075,-2.7708,1.9778;-.7607,3.4214,-.3667;-4.8542,-2.4469,-.4648;.6933,-3.1864,-.8118;1.1399,-1.876,-.2342;.2354,-2.7935,.6005;-.2798,-3.176,-1.9765;1.6775,-4.3421,-.8611;2.5273,-1.6045,.2122;-1.1289,-2.3823,.9944;2.8221,-.7044,1.1472;-2.9515,-.908,.4777;-3.0044,.5119,-.0681;-4.0173,-1.7745,-.0478;-1.8506,1.291,.0331;-4.1687,1.0477,-.6166;-1.8607,2.5971,-.4494;-4.1717,2.3696,-1.0634;-3.0219,3.1473,-.9909;.515,2.9082,-.5331;1.5187,3.4552,.26;.811,1.9415,-1.4952;2.8324,3.0223,.0968;2.1278,1.5128,-1.6426;3.1421,2.0476,-.8495;.6202,-1.0015,-.614;.7135,-3.3393,1.4041;-.9447,-2.315,-1.9536;-.8938,-4.0814,-1.9724;.2797,-3.1546,-2.9168;1.1398,-5.2938,-.8842;2.3484,-4.3576,.0006;2.2892,-4.2807,-1.7671;3.3526,-2.1296,-.2552;-3.0423,-.9047,1.5688;-.9444,.8795,.4561;-5.0625,.4429,-.7079;-5.0754,2.7885,-1.4903;-3.0004,4.168,-1.3519;1.2551,4.2044,.9962;.0219,1.5335,-2.1144;3.6129,3.4374,.7238;2.3603,.7572,-2.3846;4.162,1.7006,-.9607; Gaussian 16 GINC-CIBELES02 APULGAR Optimization Cypermethrin-theta CONF4 gas EM64L-G16RevC.01 135 C1[X(C22H19Cl2NO3)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.5988,.2056,1.9899;4.4578,-.335,1.6247;-1.6686,-1.4645,.1316;-1.7075,-2.7708,1.9778;-.7607,3.4214,-.3667;-4.8542,-2.4469,-.4648;.6933,-3.1864,-.8118;1.1399,-1.876,-.2342;.2354,-2.7935,.6005;-.2798,-3.176,-1.9765;1.6775,-4.3421,-.8611;2.5273,-1.6045,.2122;-1.1289,-2.3823,.9944;2.8221,-.7044,1.1472;-2.9515,-.908,.4777;-3.0044,.5119,-.0681;-4.0173,-1.7745,-.0478;-1.8506,1.291,.0331;-4.1687,1.0477,-.6166;-1.8607,2.5971,-.4494;-4.1717,2.3696,-1.0634;-3.0219,3.1473,-.9909;.515,2.9082,-.5331;1.5187,3.4552,.26;.811,1.9415,-1.4952;2.8324,3.0223,.0968;2.1278,1.5128,-1.6426;3.1421,2.0476,-.8495;.6202,-1.0015,-.614;.7135,-3.3393,1.4041;-.9447,-2.315,-1.9536;-.8938,-4.0814,-1.9724;.2797,-3.1546,-2.9168;1.1398,-5.2938,-.8842;2.3484,-4.3576,.0006;2.2892,-4.2807,-1.7671;3.3527,-2.1296,-.2552;-3.0423,-.9047,1.5688;-.9444,.8795,.4561;-5.0625,.4429,-.7079;-5.0754,2.7885,-1.4903;-3.0004,4.168,-1.3519;1.2551,4.2044,.9962;.0219,1.5335,-2.1144;3.6129,3.4374,.7238;2.3603,.7572,-2.3846;4.162,1.7006,-.9607; Optimization Cypermethrin-theta CONF4 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.742 1.7436 1.3705 1.4406 1.2053 1.3771 1.3851 1.1517 1.5001 1.5358 1.5178 1.5188 1.5351 1.4825 1.0858 1.4784 1.0827 1.0881 1.0939 1.0944 1.0933 1.0922 1.0949 1.3308 1.0842 1.5221 1.4706 1.095 1.3959 1.3942 1.3924 1.0814 1.3954 1.083 1.3945 1.39 1.0836 1.0828 1.3913 1.3956 1.3928 1.083 1.3926 1.0828 1.3934 1.0837 1.3942 1.0842 1.083 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 117.2702 120.4414 118.7091 118.9691 120.8503 114.6948 113.3108 123.6768 115.2368 119.8091 112.9264 113.9379 126.2501 114.956 121.4926 116.4078 110.4813 112.3968 110.5671 109.3717 108.1721 108.3632 107.8394 110.1402 112.5295 110.2602 107.8417 107.8281 108.0887 122.8645 119.5973 117.5075 122.7162 112.4539 124.8039 114.558 122.5206 122.921 107.7668 109.3877 108.3236 113.3484 110.5915 107.321 117.7734 121.9117 120.2858 119.503 120.5686 119.9048 119.4628 120.5146 120.0187 122.3405 116.8893 120.7125 120.7681 119.61 119.6102 119.2305 119.0059 121.7615 116.7616 122.3318 120.8172 119.4367 118.9424 121.6194 119.1267 120.0412 120.832 120.4412 119.4969 120.0539 120.6374 119.3254 120.0371 119.535 120.2084 120.2535 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A81 A82 6 6 17 17 15 15 10 10 -1 -2 180.0732 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 179.5642 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 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 46 3 3 3 3 3 5 5 5 5 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 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 47 3.273 -174.9505 148.8469 -87.5146 29.1666 36.7591 -145.9857 -143.3613 40.0526 -140.5314 8.0183 4.4445 152.9942 0.2137 145.2776 -141.2304 3.8336 -30.251 -151.2425 90.1525 40.9618 -80.0297 161.3653 -177.1073 61.9012 -56.7038 155.6221 35.2617 -85.4974 86.7475 -33.613 -154.3721 -57.6153 -177.9757 61.2652 129.7204 -9.9526 -8.8739 -148.5469 -153.6422 28.4239 -80.758 101.3081 57.4471 -120.4868 -46.1823 135.638 25.6989 -152.4808 167.4753 -10.7044 2.476 -177.2939 -179.5495 0.6806 -40.027 141.9301 -161.2248 20.7323 78.2051 -99.8378 -179.7279 2.0414 -1.6518 -179.8825 177.976 -2.7413 -0.0187 179.264 179.2911 2.1386 -2.4662 -179.6188 1.2413 179.9882 -178.045 0.7018 -178.2381 2.2858 -0.9354 179.5884 -0.7684 178.6927 -179.5153 -0.0542 -177.1775 3.2668 -0.5363 179.9081 177.3289 -2.7628 0.8784 -179.2133 -0.1557 -179.1291 179.3877 0.4143 -0.536 179.6032 179.5564 -0.3043 0.4909 -178.8686 179.4586 0.0991 -0.1407 179.2185 179.7191 -0.9217 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00078 0.00157 0.00197 0.00261 0.00276 0.00304 0.01412 0.01607 0.01690 0.01712 0.01749 0.01775 0.01809 0.01855 0.01924 0.01959 0.02012 0.02033 0.02176 0.02244 0.02259 0.02362 0.02405 0.02527 0.02644 0.02729 0.02835 0.02866 0.02975 0.02988 0.03305 0.03441 0.03779 0.04492 0.04519 0.04606 0.04705 0.04769 0.05107 0.05850 0.06028 0.06372 0.06701 0.06737 0.07837 0.07991 0.08971 0.10118 0.10801 0.10830 0.11167 0.11383 0.11557 0.11606 0.11854 0.11991 0.12079 0.12210 0.12327 0.12441 0.12583 0.12616 0.13065 0.14007 0.14519 0.15053 0.15606 0.16284 0.17324 0.17645 0.18157 0.18388 0.18734 0.18936 0.19103 0.19367 0.19603 0.19786 0.20171 0.20985 0.21805 0.22070 0.23195 0.24148 0.24740 0.25995 0.26665 0.26896 0.27116 0.29789 0.29976 0.30164 0.30465 0.31062 0.31685 0.32360 0.32890 0.32959 0.33029 0.33387 0.33549 0.33673 0.34172 0.34236 0.34982 0.35229 0.35421 0.35564 0.35616 0.35682 0.35703 0.35867 0.35922 0.36006 0.36054 0.36099 0.36283 0.36916 0.39457 0.39863 0.41151 0.43582 0.43968 0.44476 0.46309 0.46399 0.46741 0.46995 0.49525 0.51011 0.53634 0.62200 0.86278 1.25630 2.24686 Angle between quadratic step and forces= 79.19 degrees. 1 2 0.00032904 0.00000006 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 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 3.29189 3.29501 2.58980 2.72230 2.27764 2.60228 2.61752 2.17648 2.83479 2.90219 2.86818 2.87016 2.90095 2.80159 2.05187 2.79372 2.04602 2.05628 2.06725 2.06812 2.06601 2.06394 2.06898 2.51494 2.04880 2.87626 2.77911 2.06916 2.63783 2.63462 2.63122 2.04358 2.63691 2.04663 2.63515 2.62677 2.04780 2.04622 2.62913 2.63737 2.63201 2.04650 2.63167 2.04624 2.63309 2.04795 2.63473 2.04888 2.04659 2.04675 2.10210 2.07187 2.07640 2.10924 2.00180 1.97765 2.15857 2.01126 2.09106 1.97094 1.98859 2.20348 2.00636 2.12045 2.03170 1.92826 1.96169 1.92976 1.90890 1.88796 1.89129 1.88215 1.92231 1.96401 1.92440 1.88219 1.88196 1.88650 2.14439 2.08737 2.05089 2.14180 1.96269 2.17824 1.99942 2.13839 2.14538 1.88089 1.90918 1.89060 1.97830 1.93019 1.87310 2.05553 2.12776 2.09938 2.08572 2.10432 2.09273 2.08502 2.10338 2.09472 2.13525 2.04010 2.10683 2.10780 2.08759 2.08759 2.08097 2.07704 2.12514 2.03787 2.13509 2.10866 2.08456 2.07594 2.12266 2.07915 2.09511 2.10892 2.10210 2.08561 2.09534 2.10552 2.08262 2.09504 2.08628 2.09803 2.09882 3.14287 3.13399 0.05712 -3.05346 2.59787 -1.52742 0.50905 0.64157 -2.54793 -2.50213 0.69905 -2.45274 0.13995 0.07757 2.67025 0.00373 2.53557 -2.46494 0.06691 -0.52798 -2.63968 1.57346 0.71492 -1.39678 2.81636 -3.09111 1.08038 -0.98967 2.71612 0.61543 -1.49221 1.51403 -0.58666 -2.69430 -1.00558 -3.10626 1.06928 2.26405 -0.17371 -0.15488 -2.59263 -2.68156 0.49609 -1.40949 1.76816 1.00264 -2.10289 -0.80603 2.36733 0.44853 -2.66129 2.92299 -0.18683 0.04321 -3.09436 -3.13373 0.01188 -0.69860 2.47715 -2.81390 0.36185 1.36494 -1.74250 -3.13684 0.03563 -0.02883 -3.13954 3.10627 -0.04785 -0.00033 3.12875 3.12922 0.03733 -0.04304 -3.13494 0.02166 3.14139 -3.10747 0.01225 -3.11084 0.03989 -0.01633 3.13441 -0.01341 3.11878 -3.13313 -0.00095 -3.09233 0.05702 -0.00936 3.13999 3.09497 -0.04822 0.01533 -3.12786 -0.00272 -3.12639 3.13091 0.00723 -0.00935 3.13467 3.13385 -0.00531 0.00857 -3.12185 3.13214 0.00173 -0.00245 3.12795 3.13669 -0.01609 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00000 -0.00000 -0.00002 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00003 0.00001 -0.00001 0.00003 0.00000 -0.00005 0.00002 -0.00006 0.00003 0.00004 0.00002 -0.00002 0.00004 -0.00003 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00004 -0.00003 -0.00000 0.00000 -0.00002 -0.00000 0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00002 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 -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 0.00002 -0.00003 -0.00003 -0.00035 -0.00034 -0.00036 -0.00012 -0.00010 0.00006 0.00006 -0.00007 -0.00003 -0.00009 -0.00006 0.00007 0.00006 0.00004 0.00003 -0.00010 -0.00011 -0.00010 -0.00012 -0.00012 -0.00012 -0.00008 -0.00009 -0.00008 0.00011 0.00010 0.00010 0.00009 0.00008 0.00009 0.00007 0.00006 0.00007 0.00003 0.00003 0.00000 0.00000 0.00035 0.00037 0.00030 0.00032 0.00033 0.00034 -0.00008 -0.00008 -0.00005 -0.00005 -0.00006 -0.00006 -0.00000 -0.00004 -0.00002 -0.00006 0.00026 0.00028 0.00026 0.00028 0.00027 0.00029 0.00000 0.00001 -0.00001 -0.00000 -0.00003 -0.00004 -0.00001 -0.00002 0.00005 0.00003 0.00004 0.00002 0.00002 0.00001 0.00003 0.00002 -0.00005 -0.00004 -0.00002 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00002 0.00001 0.00002 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00000 0.00002 -0.00002 0.00000 0.00000 0.00001 0.00002 -0.00000 -0.00000 -0.00002 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00003 0.00001 -0.00001 0.00003 0.00000 -0.00005 0.00002 -0.00006 0.00003 0.00004 0.00002 -0.00002 0.00004 -0.00003 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00004 -0.00003 -0.00000 0.00000 -0.00002 -0.00000 0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00002 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 -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 0.00002 -0.00003 -0.00003 -0.00035 -0.00034 -0.00036 -0.00012 -0.00010 0.00006 0.00006 -0.00007 -0.00003 -0.00009 -0.00006 0.00007 0.00006 0.00004 0.00003 -0.00010 -0.00011 -0.00010 -0.00012 -0.00012 -0.00012 -0.00008 -0.00009 -0.00008 0.00011 0.00010 0.00010 0.00009 0.00008 0.00009 0.00007 0.00006 0.00007 0.00003 0.00003 0.00000 0.00000 0.00035 0.00037 0.00030 0.00032 0.00033 0.00034 -0.00008 -0.00008 -0.00005 -0.00005 -0.00006 -0.00006 -0.00000 -0.00004 -0.00002 -0.00006 0.00026 0.00028 0.00026 0.00028 0.00027 0.00029 0.00000 0.00001 -0.00001 -0.00000 -0.00003 -0.00004 -0.00001 -0.00002 0.00005 0.00003 0.00004 0.00002 0.00002 0.00001 0.00003 0.00002 -0.00005 -0.00004 -0.00002 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00002 0.00001 0.00002 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00000 0.00002 -0.00002 0.00000 3.29189 3.29502 2.58982 2.72229 2.27764 2.60226 2.61751 2.17648 2.83480 2.90219 2.86818 2.87015 2.90096 2.80159 2.05187 2.79370 2.04602 2.05628 2.06724 2.06812 2.06601 2.06394 2.06898 2.51493 2.04880 2.87626 2.77910 2.06916 2.63784 2.63460 2.63121 2.04358 2.63692 2.04663 2.63516 2.62675 2.04780 2.04622 2.62913 2.63737 2.63201 2.04650 2.63167 2.04624 2.63309 2.04795 2.63473 2.04888 2.04659 2.04675 2.10211 2.07184 2.07641 2.10922 2.00183 1.97765 2.15852 2.01128 2.09100 1.97097 1.98863 2.20350 2.00634 2.12049 2.03167 1.92826 1.96169 1.92976 1.90889 1.88796 1.89130 1.88215 1.92231 1.96401 1.92440 1.88220 1.88196 1.88650 2.14439 2.08736 2.05090 2.14180 1.96270 2.17823 1.99941 2.13839 2.14538 1.88093 1.90915 1.89060 1.97830 1.93017 1.87310 2.05555 2.12775 2.09938 2.08572 2.10431 2.09274 2.08502 2.10338 2.09472 2.13526 2.04010 2.10682 2.10780 2.08758 2.08760 2.08097 2.07704 2.12514 2.03789 2.13508 2.10865 2.08456 2.07593 2.12266 2.07916 2.09511 2.10892 2.10210 2.08562 2.09533 2.10552 2.08262 2.09504 2.08628 2.09803 2.09882 3.14287 3.13400 0.05710 -3.05349 2.59752 -1.52776 0.50870 0.64144 -2.54803 -2.50206 0.69911 -2.45280 0.13991 0.07748 2.67019 0.00380 2.53563 -2.46489 0.06694 -0.52808 -2.63979 1.57335 0.71480 -1.39691 2.81624 -3.09119 1.08029 -0.98975 2.71622 0.61553 -1.49211 1.51412 -0.58658 -2.69421 -1.00550 -3.10620 1.06935 2.26407 -0.17368 -0.15488 -2.59263 -2.68121 0.49646 -1.40919 1.76848 1.00297 -2.10255 -0.80611 2.36725 0.44848 -2.66134 2.92293 -0.18689 0.04321 -3.09440 -3.13375 0.01182 -0.69834 2.47742 -2.81364 0.36212 1.36521 -1.74221 -3.13684 0.03564 -0.02884 -3.13954 3.10624 -0.04788 -0.00034 3.12873 3.12927 0.03735 -0.04300 -3.13492 0.02168 3.14139 -3.10745 0.01227 -3.11089 0.03985 -0.01635 3.13439 -0.01341 3.11877 -3.13312 -0.00094 -3.09234 0.05701 -0.00937 3.13999 3.09499 -0.04821 0.01535 -3.12786 -0.00273 -3.12639 3.13089 0.00723 -0.00937 3.13467 3.13385 -0.00530 0.00858 -3.12186 3.13214 0.00171 -0.00246 3.12797 3.13667 -0.01608 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000006 0.000001 0.001738 0.000329 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.503338e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.742 1.7436 1.3705 1.4406 1.2053 1.3771 1.3851 1.1517 1.5001 1.5358 1.5178 1.5188 1.5351 1.4825 1.0858 1.4784 1.0827 1.0881 1.0939 1.0944 1.0933 1.0922 1.0949 1.3308 1.0842 1.5221 1.4706 1.095 1.3959 1.3942 1.3924 1.0814 1.3954 1.083 1.3945 1.39 1.0836 1.0828 1.3913 1.3956 1.3928 1.083 1.3926 1.0828 1.3934 1.0837 1.3942 1.0842 1.083 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 117.2702 120.4414 118.7091 118.9691 120.8503 114.6948 113.3108 123.6768 115.2368 119.8091 112.9264 113.9379 126.2501 114.956 121.4926 116.4078 110.4813 112.3968 110.5671 109.3717 108.1721 108.3632 107.8394 110.1402 112.5295 110.2602 107.8417 107.8281 108.0887 122.8645 119.5973 117.5075 122.7162 112.4539 124.8039 114.558 122.5206 122.921 107.7668 109.3877 108.3236 113.3484 110.5915 107.321 117.7734 121.9117 120.2858 119.503 120.5686 119.9048 119.4628 120.5146 120.0187 122.3405 116.8893 120.7125 120.7681 119.61 119.6102 119.2305 119.0059 121.7615 116.7616 122.3318 120.8172 119.4367 118.9424 121.6194 119.1267 120.0412 120.832 120.4412 119.4969 120.0539 120.6374 119.3254 120.0371 119.535 120.2084 120.2535 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A81 6 17 15 10 -1 180.0732 -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 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 3 3 3 3 3 5 5 5 5 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 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 3.273 -174.9505 148.8469 -87.5146 29.1666 36.7591 -145.9857 -143.3613 40.0526 -140.5314 8.0183 4.4445 152.9942 0.2137 145.2776 -141.2304 3.8336 -30.251 -151.2425 90.1525 40.9618 -80.0297 161.3653 -177.1073 61.9012 -56.7038 155.6221 35.2617 -85.4974 86.7475 -33.613 -154.3721 -57.6153 -177.9757 61.2652 129.7204 -9.9526 -8.8739 -148.5469 -153.6422 28.4239 -80.758 101.3081 57.4471 -120.4868 -46.1823 135.638 25.6989 -152.4808 167.4753 -10.7044 2.476 -177.2939 -179.5495 0.6806 -40.027 141.9301 -161.2248 20.7323 78.2051 -99.8378 -179.7279 2.0414 -1.6518 -179.8825 177.976 -2.7413 -0.0187 179.264 179.2911 2.1386 -2.4662 -179.6188 1.2413 179.9882 -178.045 0.7018 -178.2381 2.2858 -0.9354 179.5884 -0.7684 178.6927 -179.5153 -0.0542 -177.1775 3.2668 -0.5363 179.9081 177.3289 -2.7628 0.8784 -179.2133 -0.1557 -179.1291 179.3877 0.4143 -0.536 179.6032 179.5564 -0.3043 0.4909 -178.8686 179.4586 0.0991 -0.1407 179.2185 179.7191 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 774 A 746 A 746 1194 774 108 108 2975.6271452201 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0632212146 0.000000 2.932514 0.000000 4.113146 6.406127 0.000000 4.448668 6.638495 2.261937 0.000000 4.632770 6.731239 4.994460 6.688575 0.000000 7.396088 9.774482 3.386577 3.996607 7.155660 0.000000 4.491600 5.314036 3.071417 3.703788 6.780545 5.607308 0.000000 3.080531 4.103537 2.861943 3.714987 5.629581 6.025623 1.500108 0.000000 3.575355 4.992193 2.368844 2.381662 6.368103 5.211462 1.535772 1.535115 0.000000 5.540422 6.594366 3.049974 4.223595 6.808025 4.872561 1.517773 2.596413 2.655719 0.000000 5.368049 5.474232 4.523603 4.688998 8.152451 6.812644 1.518822 2.600802 2.571854 2.536710 0.000000 2.701550 2.708097 4.199016 4.734050 6.033729 7.460201 2.629571 1.482535 2.610977 3.891027 3.060897 0.000000 3.889525 5.983370 1.370464 1.205273 5.972593 4.001422 2.688728 2.629308 1.478373 3.190188 3.893570 3.819003 0.000000 1.741993 1.743647 4.666385 5.047471 5.670162 8.034910 3.811748 2.471924 3.369519 5.048547 4.310038 1.330848 4.295217 0.000000 4.922593 7.519471 1.440577 2.695925 4.925074 2.622364 4.487584 4.264168 3.704948 4.278428 5.917224 5.529275 2.400540 5.815819 0.000000 5.051560 7.698531 2.393749 4.079652 3.686291 3.511901 5.282316 4.785815 4.676376 4.966450 6.790440 5.929317 3.608695 6.074831 1.522050 0.000000 6.293878 8.757697 2.375838 3.229663 6.140379 1.151741 4.976633 5.161537 4.420890 4.433185 6.299619 6.551962 3.130252 7.024934 1.470641 2.500733 0.000000 4.111621 6.706232 2.763241 4.505618 2.426202 4.820933 5.218489 4.363969 4.621300 5.143980 6.706695 5.251862 3.865016 5.201609 2.499026 1.395877 3.754746 0.000000 6.384942 9.019603 3.622357 5.231602 4.160739 3.564404 6.450189 6.072509 5.969299 5.900230 7.955406 7.249679 4.858095 7.419715 2.550258 1.394179 2.882883 2.419732 0.000000 4.861809 7.267891 4.107374 5.893120 1.377066 5.865405 6.332658 5.390502 5.878239 6.177356 7.800045 6.111043 5.235880 5.947835 3.786125 2.408632 4.891066 1.392379 2.784913 0.000000 6.877836 9.434527 4.732228 6.461064 3.636859 4.901311 7.389267 6.850240 6.989214 6.836304 8.905178 7.892886 6.006202 7.952958 3.821853 2.409274 4.269510 2.784491 1.395392 2.402035 0.000000 6.236187 8.655316 4.935597 6.750210 2.361733 5.910099 7.345121 6.567068 6.959582 6.962401 8.842690 7.404099 6.172688 7.318422 4.313611 2.792408 5.109226 2.422092 2.421525 1.394461 1.390026 0.000000 3.852867 5.542605 4.932606 6.595149 1.385134 7.583566 6.103602 4.834071 5.820019 6.303422 7.350289 4.996922 5.746819 4.604030 5.253760 4.283097 6.534902 2.921013 5.040453 2.397440 4.747308 3.574431 0.000000 3.682266 4.986604 5.863333 7.219610 2.364259 8.716316 6.777971 5.367395 6.388159 7.225626 7.879124 5.159430 6.451826 4.448389 6.250414 5.406410 7.621777 4.010939 6.237932 3.558074 5.942318 4.719841 1.391277 0.000000 3.972431 5.311860 4.516193 6.372682 2.436014 7.239794 5.174612 4.033802 5.209952 5.254591 6.374733 4.293605 5.353264 4.245902 5.115533 4.317154 6.262286 3.137432 5.135063 2.943038 5.019723 4.049638 1.395635 2.423413 0.000000 3.611072 4.030861 6.355452 7.596694 3.644842 9.450498 6.629439 5.193000 6.389165 7.239043 7.515749 4.638260 6.760780 3.871941 7.003305 6.355932 8.363531 4.993242 7.309209 4.743875 7.129545 5.955841 2.404209 1.392799 2.790829 0.000000 3.896661 4.418045 5.140504 6.794590 3.689773 8.112616 4.983041 3.800454 5.211217 5.281384 5.924006 3.649316 5.721212 3.630600 6.012918 5.460774 7.149242 4.322639 6.396502 4.302006 6.383857 5.442026 2.404007 2.786380 1.392622 2.408464 0.000000 3.719825 3.678247 6.036571 7.397943 4.165671 9.180923 5.778641 4.447662 5.829850 6.345515 6.555427 3.852619 6.423852 3.415073 6.901382 6.383446 8.155238 5.126303 7.382593 5.048759 7.324068 6.262958 2.782537 2.418240 2.421205 1.393371 1.394238 0.000000 3.032277 4.492607 2.451308 3.907165 4.640102 5.663962 2.195046 1.085805 2.198676 2.719369 3.512657 2.164065 2.748278 2.835164 3.735984 3.965575 4.735441 3.432114 5.208951 4.373963 5.876154 5.533515 3.911987 4.629623 3.078059 4.646529 3.106883 3.963892 0.000000 3.700393 4.805734 3.287634 2.552120 7.142590 5.940392 2.221259 2.237695 1.082708 3.527311 2.658293 2.778553 2.116124 3.384503 4.494622 5.551688 5.190072 5.467534 6.867682 6.730688 7.908583 7.859107 6.544008 6.937057 6.025198 6.831498 5.901369 6.324224 3.089787 0.000000 5.326659 6.775860 2.365463 4.030525 5.954701 4.185427 2.178580 2.737631 2.853963 1.088136 3.489821 4.153358 2.954516 5.137826 3.452216 3.973422 3.655805 4.215550 4.846563 5.218205 5.757734 5.922666 5.606274 6.653068 4.627139 6.852544 4.918214 6.078896 2.443088 3.882401 0.000000 6.347483 7.457544 3.446097 4.240705 7.673891 4.541945 2.160305 3.467162 3.090927 1.093939 2.813254 4.755164 3.426977 5.911293 4.506403 5.401749 4.333871 5.813828 6.234657 6.917829 7.292940 7.599113 7.274004 8.222173 6.277708 8.284254 6.366613 7.423860 3.690962 3.812472 1.767264 0.000000 6.091494 6.784738 3.993187 5.296538 7.129532 5.733257 2.145526 3.093768 3.536105 1.094403 2.754953 4.152758 4.228290 5.383596 5.197188 5.687126 5.347945 5.744938 6.537507 6.614483 7.332662 7.370493 6.518854 7.437538 5.317312 7.331608 5.179161 6.287275 3.170939 4.346587 1.769772 1.768601 0.000000 6.222010 6.472543 4.856176 4.760573 8.935015 6.648940 2.155361 3.479073 3.045281 2.773671 1.093285 4.091238 4.141569 5.293269 6.150481 7.179504 6.299251 7.289948 8.274420 8.453225 9.325874 9.411852 8.233244 8.831600 7.268485 8.543092 6.919599 7.609587 4.332027 3.039420 3.789721 2.605660 3.073636 0.000000 5.034041 4.823841 4.952115 4.783002 8.385398 7.466207 2.184240 2.770231 2.696471 3.494612 1.092191 2.767065 4.120775 3.858104 6.341615 7.236586 6.869971 7.038427 8.489450 8.141620 9.428649 9.281533 7.512557 7.861023 6.654329 7.396410 6.100065 6.509934 3.824616 2.383221 4.339993 3.805325 3.773293 1.766311 0.000000 5.892229 5.637069 5.215445 5.681340 8.401598 7.489141 2.158055 3.074707 3.469245 2.804304 1.094856 3.337187 4.786805 4.644042 6.624171 7.340136 7.000680 7.171024 8.451086 8.140157 9.298734 9.164414 7.506782 8.034151 6.401215 7.556695 5.797135 6.451123 3.855989 3.664150 3.789110 3.195836 2.574502 1.768313 1.770354 0.000000 3.683661 2.824248 5.079855 5.567997 6.909845 8.215641 2.915253 2.227346 3.300011 4.153602 2.840525 1.084176 4.659374 2.068676 6.463102 6.886493 7.381397 6.233582 8.172928 7.039707 8.804100 8.307931 5.788685 5.900722 4.956949 5.190039 4.085607 4.224469 2.977826 3.343976 4.624500 4.978990 4.192553 3.912076 2.457269 2.836208 0.000000 4.790587 7.521956 2.065421 2.330496 5.260000 3.130030 4.982770 4.656693 3.904924 5.035834 6.324328 5.774993 2.484820 5.882910 1.094950 2.165139 2.078591 2.932533 3.139610 4.210951 4.350370 4.792913 5.622411 6.443989 5.686641 7.218116 6.548891 7.267166 4.264746 4.478840 4.335448 5.219943 6.018222 6.539942 6.590976 7.137998 6.761861 0.000000 3.045414 5.659056 2.474618 4.027705 2.678126 5.215274 4.562985 3.523223 3.860472 4.775581 5.989546 4.275772 3.311057 4.143987 2.687714 2.157157 4.091419 1.081415 3.402247 2.146994 3.865877 3.398974 2.687834 3.569308 2.831482 4.357245 3.774166 4.446233 2.670425 4.630907 4.001367 5.523615 5.398971 6.651993 6.202969 6.482800 5.293870 2.970293 0.000000 7.190784 9.832773 3.982647 5.366273 5.243439 2.907461 6.805293 6.638618 6.344617 6.130277 8.267280 7.914777 5.133525 8.180725 2.772511 2.156399 2.538677 3.403640 1.083030 3.867708 2.152250 3.399730 6.100606 7.302299 6.112637 8.344535 7.329327 8.361296 5.864171 7.219947 5.110174 6.280653 6.808895 8.450384 8.858214 8.802426 8.811212 3.328802 4.301654 0.000000 7.957886 10.504371 5.685451 7.367230 4.503290 5.339433 8.332903 7.871744 7.983379 7.668713 9.840883 8.944129 6.963177 9.029198 4.695492 3.390389 4.901098 3.868139 2.148410 3.384470 1.083648 2.143590 5.673029 6.854961 5.947034 8.068911 7.316851 8.275694 6.897225 8.912815 6.581958 8.056882 8.126037 10.213637 10.411599 10.212140 9.835872 5.208809 4.949524 2.472668 0.000000 6.929731 9.206657 5.974857 7.804189 2.558185 6.926735 8.247545 7.410831 7.921123 7.856582 9.723456 8.143907 7.205155 7.992932 5.395836 3.874953 6.168234 3.393721 3.411995 2.140409 2.165462 1.082815 3.823051 4.850676 4.416412 6.118298 5.782120 6.517620 6.354284 8.817475 6.827612 8.536676 8.174864 10.338491 10.155011 9.976635 9.012393 5.853624 4.279063 4.306176 2.495522 0.000000 4.134809 5.590938 6.436790 7.641677 2.556199 9.148701 7.629477 6.204698 7.082868 8.103337 8.756256 5.998035 7.004942 5.155086 6.640900 5.736834 8.039625 4.365914 6.479557 3.792299 6.087635 4.833134 2.136992 1.082962 3.394883 2.166627 3.869088 3.408730 5.486135 7.574162 7.486198 9.060105 8.391588 9.683235 8.688796 8.983507 6.788627 6.700711 4.023087 7.547575 6.947174 4.860532 0.000000 4.592942 6.095050 4.109797 6.185809 2.689113 6.507019 4.942189 4.050873 5.112645 4.721203 6.231763 4.640796 5.130601 4.846346 4.639082 3.793354 5.615057 2.859588 4.476717 2.729028 4.403464 3.623732 2.152537 3.401628 1.082824 3.873601 2.158155 3.405850 3.005918 6.050017 3.971284 5.690865 4.763289 7.026722 6.677646 6.250346 5.288522 5.375954 2.822963 5.386962 5.286497 4.081210 4.281403 0.000000 4.013009 3.969436 7.229982 8.271686 4.507483 10.379230 7.399753 5.938426 7.088423 8.135196 8.171817 5.182707 7.511768 4.237829 7.876140 7.278281 9.272415 5.910445 8.249874 5.660546 8.058149 6.858880 3.384722 2.144936 3.874515 1.083726 3.392547 2.151381 5.518091 7.402227 7.812123 9.171223 8.235182 9.216003 7.929952 8.217425 5.658394 7.991193 5.232910 9.288633 8.989370 6.969766 2.494268 4.957289 0.000000 4.474455 4.654838 5.244033 6.930024 4.572866 8.124131 4.561276 3.612162 5.102342 4.754720 5.365715 3.514143 5.783575 3.850127 6.259506 5.848632 7.248753 4.884953 6.770445 4.994700 6.856629 6.051722 3.385271 3.870591 2.143346 3.392768 1.084218 2.152389 3.042443 5.817961 4.532945 5.845645 4.462592 6.352616 5.643693 5.076186 3.721936 6.897873 4.359606 7.616368 7.759877 6.437176 4.953251 2.478663 4.291191 0.000000 4.184583 3.303803 6.723566 7.942214 5.248558 9.936742 5.994696 4.738393 6.168584 6.674010 6.534269 3.869239 6.963184 3.467325 7.712013 7.318906 8.933630 6.107939 8.363352 6.110449 8.361174 7.328192 3.865449 3.399367 3.401889 2.152424 2.153681 1.083010 4.468286 6.548650 6.571817 7.746964 6.516995 7.619717 6.396464 6.319299 3.977769 8.067700 5.362545 9.313286 9.316297 7.585607 4.306804 4.301067 2.481032 2.482652 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8654,-.1947,-1.695;4.647,.2176,-.8632;-1.6084,1.4391,-.218;-1.3369,2.8839,-1.9372;-.8964,-3.4989,.0131;-4.8248,2.4818,-.0278;.6206,3.0014,1.2049;1.1203,1.7246,.5965;.374,2.734,-.2872;-.5183,2.9352,2.206;1.6114,4.1155,1.4946;2.5531,1.4406,.3424;-.9234,2.4014,-.913;2.9663,.6054,-.6077;-2.8359,.9553,-.7962;-3.0029,-.4996,-.3814;-3.9495,1.815,-.3679;-1.8649,-1.3079,-.3715;-4.2488,-1.0356,-.0587;-1.9774,-2.646,-.0033;-4.3493,-2.387,.274;-3.2195,-3.1959,.3118;.3504,-3.0441,.4098;1.4505,-3.5628,-.2657;.5182,-2.1648,1.4805;2.7335,-3.1891,.127;1.8065,-1.7942,1.8577;2.9174,-2.3011,1.1848;.5295,.842,.822;.9808,3.3231,-.9632;-1.1911,2.1018,2.0141;-1.1041,3.8588,2.1834;-.1089,2.8225,3.2147;1.0979,5.0804,1.5139;2.4057,4.174,.7472;2.0768,3.9638,2.474;3.3093,1.8997,.9692;-2.7598,1.0389,-1.8853;-.8959,-.8965,-.6192;-5.1323,-.4092,-.0537;-5.3165,-2.8061,.5254;-3.276,-4.2414,.588;1.2852,-4.2439,-1.0914;-.3465,-1.7786,2.0055;3.5907,-3.5814,-.4076;1.9404,-1.1062,2.685;3.9161,-1.9988,1.4752; 0.1923488 0.1467967 0.0982113 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= 746 RedAO= T EigKep= 1.13D-06 NBF= 746 NBsUse= 743 1.00D-06 EigRej= 9.74D-07 NBFU= 743 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= 769 769 769 769 769 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.94550215427 -2050.94550215450 -0.000000000234 -2050.94550215 2 2.044067033104e+03 -1.076960773176e+04 3.699031272498e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414364904 LenY= 1413765054 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 47. Will process 48 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 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. 14497 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 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= 780000000 NMat= 141 IRICut= 352 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 141 NMatS0= 141 NMatT0= 0 NMatD0= 141 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 76.76% of shell-pairs survive, threshold= 0.20 IRatSp=77. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 6.86D-14 1.00D-09 XBig12= 3.70D+02 8.00D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 6.86D-14 1.00D-09 XBig12= 7.72D+01 1.52D+00. 141 vectors produced by pass 2 Test12= 6.86D-14 1.00D-09 XBig12= 2.10D+00 1.10D-01. 141 vectors produced by pass 3 Test12= 6.86D-14 1.00D-09 XBig12= 1.59D-02 1.17D-02. 141 vectors produced by pass 4 Test12= 6.86D-14 1.00D-09 XBig12= 4.82D-05 4.63D-04. 137 vectors produced by pass 5 Test12= 6.86D-14 1.00D-09 XBig12= 8.02D-08 1.68D-05. 53 vectors produced by pass 6 Test12= 6.86D-14 1.00D-09 XBig12= 1.06D-10 6.85D-07. 3 vectors produced by pass 7 Test12= 6.86D-14 1.00D-09 XBig12= 1.29D-13 2.92D-08. 1 vectors produced by pass 8 Test12= 6.86D-14 1.00D-09 XBig12= 1.83D-16 1.55D-09. InvSVY: IOpt=1 It= 1 EMax= 2.49D-14 Solved reduced A of dimension 899 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 289.09 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 358.251 -12.744 289.458 -1.058 18.025 219.561 524.166 -26.068 431.707 -6.201 36.914 382.246 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT103743.800S 2024-10-10T04:23:45.000 -101.58075 -101.58020 -19.19646 -19.17944 -19.13303 -14.33235 -10.32602 -10.30187 -10.29990 -10.25827 -10.25160 -10.22632 -10.22513 -10.21859 -10.21583 -10.21360 -10.21286 -10.19833 -10.19674 -10.19423 -10.19335 -10.19275 -10.19072 -10.19007 -10.18668 -10.18623 -10.18446 -10.17802 -9.49529 -9.49505 -7.26021 -7.25986 -7.24988 -7.24972 -7.24964 -7.24933 -1.13624 -1.09917 -1.04977 -0.93672 -0.93084 -0.90971 -0.88995 -0.87168 -0.85336 -0.82342 -0.78692 -0.78257 -0.76759 -0.76524 -0.75267 -0.73794 -0.71474 -0.68320 -0.65908 -0.63699 -0.62722 -0.62412 -0.60783 -0.59331 -0.57277 -0.56682 -0.55172 -0.53363 -0.52059 -0.50953 -0.50730 -0.50540 -0.50097 -0.48990 -0.48680 -0.47581 -0.46940 -0.46043 -0.45710 -0.45504 -0.44297 -0.44175 -0.43346 -0.42543 -0.42214 -0.41859 -0.41379 -0.40804 -0.40511 -0.39716 -0.39498 -0.38636 -0.38510 -0.38141 -0.37715 -0.37088 -0.36318 -0.35902 -0.35652 -0.35326 -0.34577 -0.34402 -0.34039 -0.33849 -0.32714 -0.32030 -0.29606 -0.27982 -0.27395 -0.27228 -0.26276 -0.24005 -0.04990 -0.04712 -0.03516 -0.02811 -0.02432 -0.01607 -0.01539 -0.01198 -0.00543 0.00026 0.00479 0.00801 0.01208 0.01259 0.01756 0.02182 0.02619 0.03059 0.03278 0.03609 0.03707 0.04421 0.04512 0.04575 0.05051 0.05843 0.06112 0.06419 0.06742 0.06970 0.07349 0.07753 0.08175 0.08230 0.08704 0.08961 0.09336 0.09469 0.09749 0.10011 0.10343 0.10409 0.10653 0.10841 0.11312 0.11517 0.11869 0.12195 0.12415 0.12693 0.12831 0.12930 0.13053 0.13369 0.13755 0.13893 0.14096 0.14348 0.14771 0.15009 0.15218 0.15338 0.15752 0.16072 0.16112 0.16253 0.16765 0.16983 0.17209 0.17284 0.17574 0.18104 0.18184 0.18446 0.18526 0.18923 0.19138 0.19359 0.19531 0.19817 0.20165 0.20260 0.20413 0.20715 0.20993 0.21293 0.21618 0.21743 0.21894 0.21995 0.22153 0.22338 0.22836 0.22970 0.23227 0.23322 0.23659 0.23743 0.24079 0.24404 0.24519 0.24654 0.24739 0.25101 0.25232 0.25424 0.25869 0.26014 0.26210 0.26425 0.26594 0.26815 0.27081 0.27581 0.27593 0.27836 0.28144 0.28331 0.28448 0.28721 0.28852 0.29030 0.29430 0.29649 0.29977 0.30184 0.30448 0.30896 0.31084 0.31395 0.31991 0.32197 0.32335 0.32591 0.32844 0.33641 0.34192 0.34261 0.34775 0.35019 0.35189 0.35523 0.35742 0.36027 0.36725 0.37117 0.37176 0.37704 0.38067 0.38276 0.38882 0.39384 0.39796 0.40381 0.40866 0.41261 0.42708 0.43383 0.44240 0.44569 0.44938 0.45392 0.45972 0.46673 0.46999 0.47454 0.47921 0.48746 0.49342 0.49965 0.50349 0.50950 0.51050 0.51816 0.52954 0.53315 0.53763 0.54196 0.54407 0.54855 0.55923 0.56232 0.56375 0.56876 0.57129 0.57427 0.57799 0.58739 0.59177 0.59310 0.59463 0.60561 0.61120 0.61439 0.61806 0.62412 0.63159 0.63419 0.63920 0.65023 0.65085 0.65251 0.65602 0.65735 0.66034 0.66373 0.67090 0.67217 0.67626 0.67870 0.68119 0.68627 0.69141 0.69405 0.69850 0.69963 0.70185 0.70284 0.70775 0.71225 0.71826 0.71957 0.72533 0.73235 0.73661 0.73775 0.73861 0.74415 0.74521 0.75045 0.75811 0.76679 0.76719 0.77050 0.77804 0.78404 0.78847 0.79374 0.79433 0.79842 0.81102 0.81189 0.81925 0.82032 0.82416 0.82885 0.83437 0.84003 0.84617 0.85453 0.86113 0.86591 0.87461 0.87609 0.88549 0.88800 0.89183 0.90271 0.90947 0.91642 0.91895 0.92614 0.93072 0.93471 0.93988 0.94388 0.94888 0.95701 0.95908 0.96351 0.97224 0.97525 0.98615 0.99263 1.00608 1.00614 1.01622 1.02124 1.02689 1.02973 1.03419 1.03998 1.04410 1.05008 1.05953 1.06173 1.06807 1.07469 1.07879 1.08796 1.09062 1.09507 1.10517 1.10763 1.11412 1.11818 1.13297 1.13699 1.14216 1.14674 1.16119 1.16505 1.18378 1.19187 1.20575 1.21149 1.21429 1.22392 1.25149 1.25570 1.26305 1.26655 1.28391 1.29664 1.29951 1.31618 1.32439 1.33340 1.34618 1.35250 1.35660 1.36602 1.37591 1.38654 1.39474 1.40419 1.41388 1.42384 1.43450 1.45975 1.46387 1.47365 1.48023 1.48375 1.49440 1.49988 1.50682 1.51201 1.51641 1.51990 1.52796 1.53317 1.53397 1.53955 1.54429 1.55802 1.56356 1.57152 1.57465 1.58237 1.58646 1.59146 1.60163 1.60971 1.61391 1.61957 1.62938 1.63352 1.63681 1.65160 1.65534 1.65876 1.66570 1.67232 1.67825 1.68220 1.68900 1.69514 1.70738 1.70989 1.71602 1.72455 1.73711 1.73996 1.74977 1.75772 1.76161 1.76453 1.76813 1.77479 1.78316 1.79819 1.80006 1.81965 1.82582 1.83206 1.83816 1.85028 1.86159 1.86746 1.88224 1.88819 1.89432 1.90127 1.90538 1.91171 1.92125 1.92840 1.93359 1.94151 1.94828 1.95023 1.95730 1.96347 1.97007 1.97851 1.98172 1.99045 1.99629 2.00214 2.01106 2.01805 2.02236 2.02812 2.03446 2.04358 2.06215 2.07364 2.07882 2.08261 2.08913 2.09229 2.09771 2.11015 2.11733 2.13049 2.14443 2.14954 2.16008 2.18196 2.19083 2.20739 2.23579 2.24452 2.24907 2.25486 2.26682 2.27867 2.29390 2.31899 2.33387 2.33433 2.34715 2.35107 2.36682 2.37593 2.38748 2.39668 2.41056 2.41384 2.42014 2.43697 2.45788 2.46385 2.47185 2.47892 2.48752 2.49766 2.50172 2.51111 2.51663 2.52256 2.52513 2.53737 2.55311 2.56939 2.60076 2.60467 2.61428 2.61883 2.62264 2.63402 2.65191 2.65444 2.66560 2.67477 2.68458 2.69676 2.70751 2.71467 2.72087 2.72245 2.72780 2.73778 2.74573 2.75227 2.75362 2.76097 2.76362 2.77369 2.78312 2.78425 2.79460 2.80451 2.81242 2.81447 2.82101 2.82825 2.83891 2.84292 2.84819 2.85340 2.86581 2.87296 2.88272 2.89054 2.90388 2.92203 2.92592 2.92746 2.93733 2.94252 2.94978 2.96231 2.97300 2.99218 2.99320 3.00107 3.01496 3.01921 3.04125 3.05424 3.07006 3.08892 3.09563 3.10858 3.11464 3.12172 3.13064 3.13535 3.14905 3.15463 3.16597 3.18706 3.19248 3.20606 3.21678 3.23751 3.26266 3.26929 3.30016 3.31032 3.35753 3.36511 3.36735 3.38052 3.39163 3.41078 3.45486 3.48585 3.52474 3.54396 3.55111 3.57225 3.59650 3.60507 3.63423 3.64911 3.67756 3.70599 3.71260 3.72624 3.77491 3.80019 3.80938 3.82873 3.83430 3.85844 3.90962 3.98541 4.00657 4.01873 4.03156 4.03500 4.07765 4.10616 4.13105 4.14465 4.15104 4.16155 4.17558 4.19392 4.25160 4.28590 4.33465 4.52955 4.55612 4.62125 4.83420 4.84528 5.12275 5.12479 5.13935 5.23823 5.41654 5.43417 5.64901 5.87487 5.89182 9.79184 9.87512 23.52405 23.57871 23.62767 23.76443 23.79365 23.86177 23.87051 23.93655 23.94951 23.95229 23.96091 23.97486 23.98492 23.99175 24.06401 24.06869 24.08302 24.09453 24.17586 24.18600 24.19011 24.35166 25.95885 26.03769 26.17141 26.32343 26.62197 26.69184 35.88126 49.92030 49.97659 50.02037 215.78865 215.88783 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.148924 0.041090 0.188160 -0.160092 0.025636 -0.202642 0.634670 0.237918 -0.022658 -0.508925 -0.355801 -1.906560 -0.440391 0.836822 0.384220 0.704254 -0.611714 1.030243 -0.388137 -1.259841 -0.393715 -0.289784 -0.464695 0.064642 0.044356 -0.387688 0.024441 0.022704 0.224998 0.186050 0.163940 0.157881 0.146595 0.161028 0.143355 0.155337 0.168303 0.244406 0.167433 0.151595 0.137101 0.133873 0.129322 0.146812 0.133834 0.123585 0.129113 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C 0.148924 0.041090 0.188160 -0.160092 0.025636 -0.202642 0.634670 0.462916 0.163392 -0.040509 0.103920 -1.738256 -0.440391 0.836822 0.628626 0.704254 -0.611714 1.197676 -0.236542 -1.259841 -0.256614 -0.155910 -0.464695 0.193964 0.191168 -0.253854 0.148026 0.151818 -0.00000 1.28236472e+00 -5.87535762e-01 1.00541425e+00 3.58251401e+02 -1.27442985e+01 2.89458315e+02 -1.05775459e+00 1.80251651e+01 2.19560756e+02 -3.4768 -2.7428 -1.8782 -0.0013 -0.0012 -0.0012 12.8702 15.9744 28.4810 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 12.8320 15.9594 28.4803 31.7617 39.6556 54.9721 58.6427 68.2509 71.2956 77.4279 100.9570 116.2411 137.0721 153.9042 180.7092 194.8270 201.5769 225.0553 232.8566 248.9280 261.4514 266.4630 279.4180 297.8238 322.8952 328.1084 341.8435 354.0135 394.4804 408.2996 421.1748 449.8538 456.7779 470.4197 494.3887 499.2800 504.2559 522.2481 543.1049 582.5010 589.1729 625.8666 638.3707 642.1828 668.2105 676.6794 702.4750 705.5260 721.8424 765.1468 770.9954 786.0161 816.0033 824.4611 836.4551 841.2685 863.9876 897.3502 905.8638 913.1701 919.2557 923.8969 942.0855 966.7746 981.2959 982.4246 994.4287 999.1126 1001.3879 1014.0177 1016.3310 1018.2793 1029.4624 1042.4523 1045.9728 1069.5009 1103.0917 1106.0785 1113.4349 1143.5229 1145.7735 1172.6906 1188.7091 1194.2586 1199.3123 1224.1355 1230.9486 1256.7711 1270.0810 1294.4872 1304.5449 1308.6661 1312.6702 1330.3488 1351.0913 1353.9072 1364.6458 1375.5788 1417.3147 1431.9372 1450.0145 1468.9036 1486.8933 1490.2578 1494.4380 1513.6516 1516.2320 1518.3371 1523.4501 1626.8828 1628.1407 1641.5822 1645.0853 1663.8790 1785.9778 2360.2561 3020.1519 3027.2841 3044.5790 3078.6120 3082.8696 3098.4762 3136.7819 3142.3508 3165.6568 3172.5240 3175.0791 3175.8461 3177.6709 3189.3211 3191.8394 3194.0871 3199.4845 3200.7301 3207.2157 6.3012 5.8164 7.5112 7.1767 6.9695 6.8018 13.2380 7.4456 5.3360 6.2274 5.4411 9.5468 4.5291 3.4189 3.2017 2.7548 3.0452 2.6142 3.2858 3.7314 2.2577 3.8419 4.3348 3.3700 5.3405 4.5074 6.9126 4.8956 3.3096 4.8263 2.9804 4.3228 4.7944 4.4793 4.0945 3.4453 4.0887 4.1675 4.6461 7.3995 5.8506 5.7140 6.0931 6.3268 5.2037 5.9426 2.8663 2.0920 3.3292 2.4929 3.4288 2.0605 2.0621 2.3254 2.6268 1.5485 3.1224 1.9897 3.6489 2.1026 2.1450 1.6280 2.8774 3.1526 1.3541 1.4883 1.3235 1.2974 1.7599 2.8094 5.6623 2.6736 2.4889 3.2289 2.0443 1.6067 1.5064 1.5198 1.6125 2.3755 2.0871 1.7646 1.1431 1.2084 1.1888 2.7002 2.9919 2.2880 2.8525 1.3468 2.1074 2.3037 1.5896 2.4733 1.8695 1.8895 1.4732 1.4326 1.3011 1.3474 2.0892 2.9519 2.3162 1.0458 1.0466 1.0695 1.1405 2.2459 2.3722 5.9487 5.6890 6.1222 5.7968 8.7492 11.8187 12.6738 1.0369 1.0400 1.0814 1.1013 1.1003 1.1019 1.0879 1.0950 1.0864 1.0894 1.0887 1.0876 1.0884 1.0917 1.0920 1.0942 1.0976 1.0962 1.0907 0.0006 0.0009 0.0036 0.0043 0.0065 0.0121 0.0268 0.0204 0.0160 0.0220 0.0327 0.0760 0.0501 0.0477 0.0616 0.0616 0.0729 0.0780 0.1050 0.1362 0.0909 0.1607 0.1994 0.1761 0.3281 0.2859 0.4759 0.3615 0.3034 0.4741 0.3115 0.5154 0.5894 0.5840 0.5896 0.5060 0.6126 0.6697 0.8074 1.4793 1.1966 1.3187 1.4630 1.5373 1.3690 1.6032 0.8334 0.6135 1.0221 0.8599 1.2009 0.7500 0.8090 0.9313 1.0829 0.6457 1.3733 0.9440 1.7641 1.0330 1.0679 0.8187 1.5047 1.7361 0.7682 0.8463 0.7711 0.7630 1.0398 1.7020 3.4460 1.6334 1.5541 2.0673 1.3177 1.0828 1.0800 1.0955 1.1779 1.8302 1.6143 1.4298 0.9517 1.0154 1.0074 2.3840 2.6710 2.1292 2.7111 1.3297 2.1131 2.3245 1.6138 2.5790 2.0106 2.0407 1.6164 1.5971 1.5400 1.6278 2.5880 3.7526 3.0170 1.3684 1.3771 1.4438 1.5449 3.0506 3.2438 9.2765 8.8853 9.7204 9.2431 14.2712 22.2113 41.5983 5.5724 5.6155 5.9061 6.1500 6.1611 6.2329 6.3069 6.3704 6.4144 6.4600 6.4667 6.4629 6.4754 6.5425 6.5546 6.5773 6.6202 6.6164 6.6102 0.2486 0.7865 0.0172 1.3908 1.3666 0.0222 1.1221 0.9759 0.1126 0.2619 0.8446 3.3131 0.3316 0.2986 0.7151 0.7646 0.0876 2.5376 0.3456 6.4431 3.2163 1.2279 2.0471 4.7644 0.8074 1.1345 2.3468 1.7034 2.4388 4.6678 0.2679 7.9658 1.6100 6.8482 2.3375 12.8595 6.2997 2.3112 3.5863 1.9592 4.9262 0.5675 2.1822 13.3892 2.6908 1.2947 15.5157 36.8859 9.7022 25.1608 24.8559 30.1636 20.6712 28.4210 4.0948 6.7505 24.7997 29.3605 90.2644 5.9721 14.7957 12.4768 25.5877 40.9048 0.3225 17.5710 0.3882 0.4961 7.2209 50.0680 0.8633 29.8951 2.5341 111.9025 7.6462 37.6179 5.2495 8.0697 2.5735 13.8149 38.5813 17.2782 8.4759 29.8633 4.0812 75.7275 159.5697 111.8537 263.9380 22.7443 153.8239 3.8680 21.8580 5.2199 4.5260 15.3037 0.3585 10.9366 8.5898 10.4975 2.9800 51.0025 8.5374 2.2144 5.6789 4.2080 1.4456 168.8212 16.2932 121.6482 18.8310 27.4536 8.7336 38.0132 370.9111 0.5242 18.1933 41.0898 10.0739 3.4644 31.8636 25.7739 1.4992 6.2390 3.3809 6.2702 4.9108 5.9112 1.3184 10.9106 2.0923 6.0482 3.1358 4.3311 2.5845 0.05 -0.01 0.08 0.03 0.08 0.09 -0.01 0.00 -0.02 0.01 -0.02 -0.03 -0.04 -0.02 0.01 -0.01 0.03 -0.18 -0.05 0.03 0.01 -0.02 0.04 0.02 -0.02 0.02 0.00 -0.06 0.02 -0.01 -0.07 0.05 0.02 -0.01 0.06 0.04 -0.00 0.00 -0.02 0.02 0.04 0.07 0.01 -0.02 -0.04 -0.01 0.01 0.03 -0.00 0.01 -0.12 -0.02 -0.02 -0.01 0.00 0.05 0.13 -0.02 0.00 0.06 -0.00 0.06 0.20 -0.02 0.04 0.16 -0.01 -0.05 -0.06 -0.06 -0.14 -0.08 0.07 -0.01 -0.11 -0.03 -0.18 -0.15 0.11 -0.05 -0.18 0.06 -0.14 -0.20 -0.01 0.03 0.01 -0.02 0.03 0.01 -0.05 0.01 -0.02 -0.08 0.01 -0.02 -0.08 0.03 -0.00 -0.09 0.04 0.01 -0.06 0.06 0.03 -0.08 0.05 0.03 -0.03 0.09 0.03 0.05 -0.07 -0.04 -0.03 -0.04 -0.08 0.02 0.06 0.16 0.01 0.09 0.28 -0.02 0.05 0.21 -0.13 -0.17 -0.04 0.11 0.06 -0.09 -0.07 -0.25 -0.16 0.17 -0.02 -0.22 0.08 -0.17 -0.25 0.01 0.02 0.05 -0.00 -0.03 0.13 0.00 -0.00 0.01 -0.01 -0.08 -0.06 0.01 -0.01 -0.11 0.03 -0.01 0.27 0.00 0.12 -0.10 -0.01 0.05 0.02 0.01 -0.02 -0.08 -0.01 0.23 -0.11 0.02 0.13 -0.20 -0.01 0.01 0.06 0.00 -0.04 -0.05 -0.00 -0.00 0.08 -0.03 0.01 0.07 -0.01 -0.00 0.03 -0.00 -0.00 0.18 -0.01 0.00 -0.01 -0.01 -0.02 0.01 0.00 -0.01 -0.06 0.00 -0.04 -0.04 0.01 -0.03 -0.08 0.00 -0.03 -0.07 0.01 -0.02 -0.07 -0.01 -0.06 -0.05 0.01 -0.04 -0.04 -0.01 -0.08 -0.02 -0.00 -0.07 -0.01 -0.03 0.08 0.10 0.03 -0.09 -0.13 -0.03 0.23 -0.04 0.01 0.24 -0.20 -0.03 0.32 -0.09 0.04 0.14 -0.30 0.03 0.03 -0.19 -0.00 0.22 -0.17 -0.02 -0.01 0.09 -0.11 0.05 0.07 -0.01 0.02 0.00 -0.01 -0.03 0.04 0.01 -0.05 -0.05 0.02 -0.04 -0.12 0.02 0.01 -0.09 -0.01 -0.06 -0.05 0.01 -0.03 -0.04 -0.02 -0.10 0.01 -0.00 -0.09 0.01 0.09 0.19 -0.12 0.07 0.07 0.03 0.04 -0.07 -0.00 0.07 -0.12 -0.03 -0.10 -0.08 0.17 0.07 0.02 -0.02 0.01 -0.03 -0.01 0.03 -0.05 0.05 0.04 -0.08 -0.00 -0.01 0.01 -0.03 0.01 -0.01 -0.03 0.03 -0.04 0.08 0.05 -0.09 -0.02 0.06 0.06 0.00 0.02 -0.05 0.01 -0.02 -0.04 0.03 0.05 -0.02 -0.01 -0.03 -0.06 0.09 -0.04 -0.01 -0.03 -0.08 -0.06 0.10 -0.09 -0.01 -0.02 -0.11 -0.03 0.04 -0.08 -0.03 0.07 -0.11 0.11 -0.08 -0.05 -0.11 0.13 -0.10 0.16 -0.17 -0.04 -0.06 0.05 -0.07 0.08 -0.10 0.03 -0.04 0.07 0.06 -0.11 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.07 -0.03 0.05 -0.02 0.01 -0.01 -0.09 0.03 -0.05 -0.01 -0.02 0.03 -0.01 0.01 -0.12 0.16 0.03 -0.07 0.00 -0.02 -0.08 0.13 -0.03 0.00 -0.08 -0.11 0.01 -0.06 -0.14 -0.03 0.05 -0.14 0.17 -0.13 -0.03 -0.22 0.24 -0.12 0.28 -0.28 -0.01 -0.12 0.10 -0.06 0.13 -0.17 0.08 -0.12 0.09 0.08 0.13 -0.05 0.05 -0.06 -0.05 -0.09 0.09 0.05 -0.07 -0.04 0.16 0.10 0.01 0.20 -0.01 0.01 -0.02 0.04 0.05 -0.07 -0.01 0.04 -0.03 0.01 -0.07 -0.01 -0.06 0.05 -0.00 0.05 0.11 -0.09 -0.02 0.03 -0.00 0.06 0.05 -0.03 0.01 -0.01 0.00 -0.02 -0.02 -0.03 0.05 0.00 0.11 -0.02 -0.02 0.07 -0.05 -0.02 -0.18 -0.06 -0.02 0.04 -0.09 -0.03 -0.21 -0.09 -0.03 -0.10 -0.05 -0.03 0.08 -0.09 -0.11 0.09 0.00 0.05 0.01 -0.06 -0.11 0.01 0.03 0.05 -0.07 -0.01 -0.02 -0.07 0.08 0.02 -0.08 -0.05 0.09 -0.02 0.05 -0.10 -0.03 -0.04 -0.10 0.02 0.02 -0.08 -0.02 -0.10 0.02 0.05 -0.07 0.12 -0.01 -0.03 0.03 -0.02 0.04 0.22 -0.16 -0.06 0.03 0.00 0.00 -0.01 0.17 -0.05 -0.02 -0.25 -0.11 -0.03 -0.32 -0.12 -0.03 -0.11 -0.13 -0.17 0.15 0.03 0.11 0.01 -0.09 -0.17 0.02 0.07 0.12 -0.13 0.01 -0.02 -0.13 0.17 -0.05 -0.07 0.12 0.08 0.05 -0.03 -0.01 -0.03 -0.02 -0.04 -0.05 -0.01 0.03 -0.17 -0.00 0.03 0.15 -0.03 -0.10 -0.03 0.00 -0.06 -0.08 -0.02 -0.04 -0.04 -0.02 -0.17 -0.02 -0.06 -0.09 0.02 0.02 -0.00 -0.05 -0.02 -0.03 -0.05 0.09 0.01 -0.03 -0.07 0.02 0.01 -0.06 0.02 0.01 -0.03 0.03 0.09 -0.06 0.01 -0.11 -0.02 0.03 0.16 -0.03 0.02 -0.07 0.01 0.03 0.19 0.01 0.03 0.08 -0.04 0.03 -0.07 0.01 0.03 0.02 -0.12 0.05 -0.07 -0.02 0.04 0.10 -0.14 0.06 0.02 -0.09 0.06 0.10 0.02 -0.09 -0.13 -0.04 0.01 -0.02 0.01 -0.19 -0.03 -0.06 -0.19 0.01 -0.00 -0.17 -0.03 -0.09 -0.10 0.08 -0.07 -0.02 0.01 -0.04 -0.13 0.00 -0.02 0.03 -0.03 -0.11 0.03 0.01 -0.08 -0.01 -0.22 -0.02 0.04 0.26 0.03 0.05 0.31 0.03 0.03 0.11 0.07 0.02 0.01 -0.15 0.05 -0.13 0.02 0.04 0.16 -0.21 0.07 0.02 -0.12 0.07 0.16 -0.03 -0.01 0.06 0.00 0.05 -0.06 0.10 -0.09 -0.05 -0.14 0.20 0.15 -0.02 -0.11 -0.10 0.12 0.00 -0.09 0.03 0.08 -0.02 0.04 0.08 -0.01 0.01 0.06 -0.01 0.03 0.08 -0.02 0.02 0.10 -0.04 0.03 0.08 -0.04 -0.02 0.06 0.04 0.01 0.04 -0.01 0.09 -0.06 -0.04 0.05 -0.05 -0.01 0.10 -0.03 -0.07 0.02 -0.10 -0.08 0.05 0.00 0.09 -0.01 -0.09 -0.05 0.02 0.01 0.12 -0.01 -0.04 0.04 -0.04 -0.11 -0.03 0.00 0.01 -0.04 -0.12 -0.19 0.05 -0.03 0.06 0.02 -0.15 -0.14 0.11 -0.11 -0.02 0.09 0.05 0.08 0.01 -0.02 0.07 -0.03 0.03 0.08 -0.03 0.03 0.08 -0.01 0.03 0.07 -0.02 0.00 0.09 -0.06 0.01 0.10 -0.05 0.02 0.13 -0.04 0.05 0.12 -0.09 0.09 -0.09 -0.05 0.02 -0.14 -0.14 0.08 0.04 0.15 0.02 0.05 0.19 -0.03 -0.03 0.06 0.06 0.08 -0.11 -0.16 -0.28 0.06 0.01 0.16 0.00 -0.21 -0.21 0.18 -0.13 0.02 0.14 0.06 0.08 -0.19 -0.02 -0.22 0.24 0.06 -0.08 -0.15 -0.29 0.39 0.19 0.02 -0.00 0.12 0.09 -0.02 0.11 -0.05 -0.02 -0.05 -0.08 -0.01 -0.11 -0.04 0.04 -0.07 -0.07 -0.03 -0.08 -0.01 -0.07 0.01 -0.07 -0.06 -0.02 -0.10 0.14 -0.00 -0.02 -0.06 -0.00 0.01 -0.03 -0.08 0.01 -0.03 -0.05 0.05 -0.02 0.01 0.02 -0.02 -0.01 0.02 -0.02 -0.03 0.02 -0.00 0.07 0.02 0.00 0.04 0.02 0.01 0.10 0.04 0.03 0.04 0.01 -0.01 0.02 0.08 0.08 -0.01 0.03 -0.01 -0.04 0.10 0.08 -0.07 0.07 0.03 -0.08 -0.11 -0.00 -0.15 -0.05 0.08 -0.05 -0.09 0.01 -0.13 -0.03 -0.00 -0.05 -0.09 -0.09 -0.08 0.03 -0.05 0.03 0.00 -0.08 0.02 -0.04 -0.13 0.01 -0.11 -0.16 0.09 -0.06 -0.03 -0.09 0.02 -0.03 -0.03 0.01 -0.02 -0.06 0.02 0.01 0.07 0.03 0.03 0.16 -0.03 -0.05 0.06 0.10 0.11 0.00 0.00 -0.04 -0.05 0.14 0.12 -0.11 0.08 0.03 -0.13 -0.12 0.13 0.01 -0.08 -0.00 -0.07 0.11 -0.10 -0.12 0.13 -0.06 -0.09 0.00 -0.04 -0.00 0.26 0.09 0.19 -0.07 -0.02 0.04 -0.01 -0.00 0.07 0.04 -0.01 0.02 -0.14 -0.04 -0.05 -0.11 -0.00 0.12 -0.01 -0.01 0.08 0.10 -0.05 -0.07 -0.06 0.03 0.02 0.07 -0.03 -0.07 0.04 -0.03 -0.07 0.15 0.02 0.05 0.02 -0.06 -0.10 0.04 0.01 0.01 0.01 -0.04 -0.02 0.02 0.03 0.07 0.01 0.00 0.06 -0.00 -0.03 0.01 0.01 -0.10 0.09 -0.03 0.08 -0.07 0.00 -0.08 0.10 -0.04 0.11 -0.07 -0.02 0.03 0.01 -0.02 -0.01 0.02 0.08 -0.01 0.06 -0.11 -0.05 -0.10 -0.16 -0.05 -0.10 -0.22 -0.02 -0.02 -0.12 -0.01 0.06 -0.04 -0.00 0.19 -0.19 0.01 0.16 0.00 -0.06 0.10 0.01 -0.01 -0.07 0.02 -0.09 -0.15 0.06 0.03 0.03 0.03 0.06 0.13 -0.00 0.02 0.12 0.03 -0.19 0.16 -0.04 0.14 -0.14 0.02 -0.14 0.17 -0.06 0.19 -0.14 -0.03 0.05 0.01 0.04 0.13 -0.10 0.02 0.06 -0.03 -0.02 -0.02 0.08 -0.04 0.02 0.11 -0.02 -0.03 -0.03 -0.08 -0.06 -0.09 0.07 0.03 0.01 0.02 -0.02 0.06 0.02 -0.05 0.03 0.09 0.12 0.03 0.12 0.01 -0.08 0.01 -0.04 0.05 -0.02 -0.01 0.08 0.02 0.04 -0.02 -0.01 -0.02 0.03 -0.02 -0.02 0.00 -0.04 -0.03 -0.03 -0.02 -0.03 -0.03 -0.02 -0.02 0.00 -0.02 -0.03 -0.03 -0.02 -0.03 -0.02 -0.02 -0.03 -0.03 -0.03 -0.04 0.01 -0.01 -0.18 0.14 -0.05 0.09 -0.09 -0.02 -0.19 0.16 -0.05 0.08 -0.07 -0.03 -0.06 0.06 0.01 0.00 0.12 0.01 -0.10 -0.02 0.04 0.15 0.07 0.14 0.15 0.02 0.11 0.13 0.03 0.15 0.03 -0.13 0.10 -0.07 -0.10 0.13 0.06 -0.08 0.01 -0.11 0.10 0.04 -0.01 0.03 -0.02 -0.03 -0.03 -0.02 -0.02 0.02 -0.02 -0.03 -0.02 -0.02 -0.03 -0.05 0.00 -0.28 0.22 -0.05 0.19 -0.18 -0.01 -0.31 0.27 -0.06 0.18 -0.15 -0.04 -0.06 0.07 -0.01 -0.07 0.11 0.01 -0.08 0.03 0.02 -0.06 0.04 -0.00 -0.03 0.07 -0.01 -0.04 -0.01 0.01 -0.03 -0.05 0.06 0.02 0.02 0.05 -0.00 0.05 0.03 -0.04 0.03 0.08 0.04 0.04 0.06 0.03 -0.04 0.05 -0.00 0.03 0.01 -0.05 0.06 0.02 -0.04 0.05 0.02 -0.05 0.01 -0.01 -0.05 -0.01 0.02 -0.03 -0.02 -0.03 -0.06 -0.06 -0.01 -0.03 0.02 -0.03 -0.06 -0.03 -0.02 -0.03 0.02 -0.02 -0.05 -0.00 -0.03 0.04 -0.05 -0.01 0.06 -0.03 -0.06 0.14 -0.12 -0.03 0.18 -0.08 -0.08 0.26 -0.18 -0.06 0.28 -0.16 0.06 0.00 0.09 0.01 -0.06 0.00 0.06 0.04 0.06 0.08 0.04 0.04 0.09 0.05 0.03 0.05 0.03 -0.08 0.04 0.00 -0.06 0.07 0.07 -0.04 0.06 0.01 0.00 0.05 -0.04 0.01 -0.03 -0.07 -0.08 -0.00 -0.02 0.06 -0.02 -0.02 0.05 -0.03 -0.04 0.01 0.02 -0.02 0.03 -0.08 0.13 -0.14 -0.01 0.19 -0.07 -0.11 0.35 -0.25 -0.08 0.38 -0.22 0.01 -0.10 0.02 -0.01 0.16 -0.05 -0.01 -0.04 -0.05 -0.02 0.11 0.08 0.02 0.04 0.01 0.03 0.04 0.03 0.00 -0.06 -0.01 -0.09 -0.15 0.10 0.04 -0.15 -0.00 -0.08 0.15 -0.10 0.11 -0.15 -0.03 -0.09 -0.19 0.13 0.00 -0.01 0.01 -0.05 -0.08 0.06 -0.02 0.01 -0.05 -0.02 0.01 -0.05 0.00 0.02 -0.02 -0.01 0.02 -0.04 -0.01 0.00 -0.03 0.01 0.03 0.01 0.01 0.01 0.02 0.02 0.03 0.04 0.02 0.05 -0.00 0.01 0.06 -0.02 0.03 0.02 0.01 0.02 0.04 -0.03 0.04 0.00 0.02 0.03 0.01 -0.00 -0.14 -0.11 0.13 0.12 -0.25 -0.02 -0.15 0.20 -0.06 0.01 0.21 -0.24 -0.18 0.22 -0.05 0.21 -0.10 -0.10 0.14 -0.27 -0.01 0.05 -0.15 -0.01 -0.10 -0.21 0.16 -0.03 0.03 -0.05 -0.02 0.02 -0.05 -0.02 -0.01 -0.05 0.01 0.01 0.04 0.03 0.04 0.08 0.00 0.08 -0.04 0.04 0.02 0.03 0.01 0.05 -0.04 0.05 -0.02 0.03 0.04 -0.01 0.00 0.01 -0.01 -0.03 -0.01 -0.00 0.02 -0.03 -0.07 0.08 -0.13 -0.09 0.06 0.05 0.02 -0.06 0.28 0.55 -0.21 -0.04 -0.02 -0.01 -0.02 -0.02 -0.01 -0.06 -0.05 -0.00 -0.01 -0.04 0.02 -0.07 0.02 -0.07 -0.02 -0.00 -0.02 -0.07 -0.07 0.05 -0.01 -0.00 -0.01 -0.05 -0.05 0.11 -0.06 -0.03 0.14 0.05 0.15 -0.02 -0.04 0.01 0.12 -0.05 -0.09 0.07 0.01 -0.02 -0.01 -0.01 -0.13 -0.07 0.02 -0.10 -0.12 0.05 0.03 -0.03 0.06 0.02 -0.00 0.04 0.03 -0.03 0.06 -0.01 0.03 0.04 0.01 -0.00 0.05 -0.01 0.03 -0.00 -0.03 0.02 -0.09 -0.04 -0.02 0.02 -0.07 0.07 -0.05 -0.06 0.01 0.02 0.01 0.01 -0.10 0.00 -0.10 -0.08 0.01 -0.08 -0.05 0.07 -0.06 -0.03 -0.00 -0.01 -0.03 -0.13 0.10 -0.05 0.06 0.16 -0.08 -0.11 0.08 -0.00 -0.20 -0.15 0.03 -0.13 -0.24 0.07 0.01 -0.00 0.04 0.05 -0.05 0.06 -0.02 0.05 0.03 0.01 0.00 0.04 -0.03 0.06 0.00 -0.07 -0.08 -0.05 0.07 0.07 0.02 0.08 0.02 0.03 -0.06 -0.10 -0.01 -0.08 0.01 0.06 0.02 0.01 -0.00 0.04 0.02 -0.10 0.04 -0.06 -0.04 0.14 0.00 0.01 0.11 0.04 0.15 -0.11 0.10 -0.12 0.00 -0.06 -0.01 0.07 -0.03 -0.08 -0.01 -0.03 0.05 -0.01 0.04 0.07 -0.01 0.07 0.03 -0.01 0.01 0.06 -0.03 0.05 0.06 0.01 0.05 0.02 -0.05 -0.00 0.02 -0.00 -0.02 0.00 -0.03 -0.05 -0.01 -0.09 0.02 0.01 -0.07 0.03 -0.04 -0.06 0.00 -0.01 0.02 -0.00 -0.06 0.03 -0.04 -0.04 0.08 -0.05 -0.15 0.06 -0.13 -0.03 0.14 0.01 -0.12 0.23 -0.02 0.16 0.20 0.15 0.02 -0.05 0.02 0.26 -0.06 0.34 0.07 -0.06 0.02 0.24 -0.35 0.02 -0.11 0.01 -0.06 0.05 -0.04 0.03 0.07 -0.04 0.07 0.08 0.03 0.07 0.01 0.01 -0.05 -0.03 -0.05 -0.11 0.03 -0.11 0.06 -0.05 -0.09 0.00 0.01 0.04 0.00 -0.08 0.07 -0.07 -0.05 0.17 -0.10 -0.02 -0.00 -0.00 -0.02 0.03 0.04 -0.05 -0.05 -0.03 0.01 -0.07 -0.03 0.00 0.02 0.03 0.09 0.05 0.07 0.03 0.03 0.03 -0.02 0.03 0.00 -0.07 0.02 0.04 0.16 -0.01 0.16 0.08 0.01 -0.07 -0.03 0.03 -0.02 -0.04 -0.03 0.01 -0.03 0.02 -0.00 -0.04 -0.03 -0.10 -0.05 -0.04 -0.15 -0.01 -0.02 -0.04 -0.04 -0.03 -0.13 -0.04 -0.04 -0.10 -0.01 0.00 -0.01 -0.01 -0.01 0.03 0.01 0.02 0.10 0.00 0.04 -0.00 -0.01 0.05 -0.02 0.02 0.02 0.01 0.00 -0.00 -0.01 0.03 -0.03 0.03 0.02 -0.05 0.03 -0.02 0.03 0.04 -0.09 0.03 0.02 -0.01 0.14 0.05 0.31 0.09 0.47 0.28 -0.33 0.08 0.09 0.02 -0.01 -0.00 0.01 -0.16 0.18 0.00 -0.12 -0.03 0.03 -0.03 -0.01 0.03 -0.09 -0.04 -0.04 -0.17 -0.04 -0.05 -0.13 0.00 0.00 0.10 0.04 0.05 0.22 -0.02 0.07 -0.04 0.03 0.03 0.02 -0.01 -0.01 -0.02 0.05 -0.06 0.05 0.03 -0.10 0.05 -0.05 0.10 0.11 0.03 -0.00 0.00 0.02 -0.03 -0.06 -0.05 0.01 -0.03 0.00 0.02 -0.01 -0.02 -0.01 -0.02 0.02 -0.03 -0.06 0.01 -0.00 -0.08 0.01 0.01 -0.07 0.02 -0.02 -0.07 0.14 -0.16 0.04 0.04 0.06 0.01 -0.01 -0.01 -0.06 0.05 0.05 0.03 -0.02 -0.02 0.00 -0.04 -0.01 0.04 -0.01 0.00 0.01 -0.04 -0.00 0.05 -0.04 -0.03 0.03 -0.02 -0.01 0.01 -0.02 -0.04 0.00 -0.01 -0.04 -0.02 -0.00 0.04 -0.02 -0.00 0.03 -0.02 0.00 0.04 -0.02 0.00 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.03 0.03 0.03 -0.03 -0.12 -0.01 0.01 -0.08 -0.01 0.02 -0.11 0.06 0.01 -0.03 0.01 -0.09 -0.07 0.21 -0.14 0.48 -0.04 0.03 -0.14 0.38 -0.52 -0.13 0.00 0.09 0.03 -0.06 -0.06 -0.00 -0.04 0.01 0.05 -0.04 -0.04 0.04 -0.02 -0.06 -0.02 -0.01 -0.05 -0.05 -0.01 0.04 -0.03 0.01 0.05 -0.03 -0.00 -0.03 0.02 0.01 -0.01 0.02 0.01 -0.08 0.06 0.04 -0.04 -0.04 -0.00 -0.04 -0.02 0.01 -0.04 0.06 -0.00 -0.08 0.04 -0.01 0.02 0.02 0.03 -0.02 -0.00 0.00 0.05 0.04 0.02 0.05 0.01 -0.01 0.06 0.05 -0.08 0.13 -0.05 0.03 0.00 0.13 0.01 0.06 -0.06 -0.00 -0.02 0.06 0.00 0.02 -0.04 0.02 -0.03 0.00 -0.03 -0.03 -0.05 0.02 -0.02 -0.01 -0.04 -0.03 -0.06 -0.03 -0.02 -0.03 -0.03 -0.01 -0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.03 -0.01 0.08 -0.02 -0.02 0.08 -0.04 0.01 0.08 -0.03 -0.01 -0.01 -0.00 0.02 -0.01 0.02 0.01 -0.07 0.05 0.03 0.04 -0.00 -0.04 0.06 0.02 0.08 -0.04 0.12 -0.24 0.02 -0.40 -0.18 0.51 0.04 0.04 0.00 0.36 -0.04 0.14 0.06 0.13 -0.18 0.05 0.04 0.08 -0.11 0.06 0.01 0.01 -0.04 -0.04 -0.09 -0.03 -0.02 -0.03 -0.02 -0.01 0.03 -0.01 0.00 0.08 -0.04 0.11 -0.06 0.02 0.11 -0.03 -0.02 -0.03 0.00 0.04 -0.04 0.04 0.02 -0.16 0.10 0.00 -0.03 -0.03 -0.02 0.02 0.01 0.10 -0.07 -0.07 0.02 0.01 -0.01 -0.01 0.04 0.00 -0.01 -0.11 -0.03 0.00 0.02 0.01 -0.01 0.02 0.01 0.02 0.03 0.00 0.02 -0.00 0.03 -0.02 0.04 0.02 -0.02 -0.02 0.00 0.05 -0.01 -0.03 -0.03 -0.02 -0.00 0.05 -0.04 0.01 -0.01 -0.00 0.10 0.08 -0.01 -0.00 -0.03 -0.01 0.08 -0.02 0.01 0.10 -0.04 -0.02 0.01 -0.04 -0.02 -0.01 -0.05 -0.05 -0.08 -0.01 0.11 -0.05 -0.02 0.11 -0.06 0.01 0.12 -0.06 -0.01 -0.01 0.01 0.02 0.01 0.01 0.01 -0.09 0.07 -0.03 0.03 0.01 0.04 0.03 0.02 -0.18 0.20 -0.18 0.23 0.14 0.32 0.03 -0.39 -0.02 -0.01 0.05 -0.22 0.11 -0.09 0.14 -0.19 0.18 0.12 -0.01 -0.04 0.00 0.01 -0.11 0.01 -0.03 -0.01 0.09 -0.01 0.03 0.15 -0.05 -0.02 -0.05 -0.08 -0.07 -0.18 -0.04 0.14 -0.08 0.02 0.17 -0.07 -0.02 -0.05 0.03 0.04 -0.02 0.03 0.02 -0.20 0.15 0.05 0.00 0.01 0.02 -0.05 -0.06 -0.03 -0.00 -0.04 0.03 0.03 -0.02 0.01 0.01 -0.07 -0.02 0.04 0.00 -0.00 0.04 0.02 0.01 0.03 0.02 0.00 0.03 0.02 -0.05 0.09 -0.02 0.01 0.01 0.10 0.03 0.02 0.00 -0.00 0.02 -0.01 0.04 0.01 0.00 -0.05 -0.00 -0.01 -0.05 -0.02 0.01 -0.04 0.01 0.01 -0.03 0.02 0.10 -0.06 -0.08 -0.09 0.00 0.01 0.07 -0.01 -0.06 0.01 0.03 -0.01 0.12 0.01 -0.04 -0.03 0.03 -0.04 -0.01 -0.02 -0.04 -0.03 0.02 0.00 0.01 -0.03 -0.00 -0.02 -0.02 0.03 -0.01 0.02 0.03 0.02 -0.00 0.03 0.02 -0.29 0.35 -0.26 0.24 0.28 0.20 -0.12 -0.30 -0.04 0.06 0.04 -0.06 0.14 -0.09 0.24 -0.18 0.05 0.20 0.03 0.02 0.00 -0.08 -0.01 -0.01 -0.03 0.04 0.12 -0.10 -0.13 -0.21 -0.00 -0.09 -0.02 0.05 -0.00 0.16 0.06 -0.04 -0.00 -0.03 -0.06 -0.03 0.03 0.02 0.03 -0.06 0.01 -0.02 -0.03 0.07 -0.01 -0.04 -0.02 -0.03 -0.03 0.04 0.05 0.05 -0.04 -0.02 0.02 0.01 0.01 0.01 0.03 -0.10 0.01 -0.06 -0.01 0.02 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.01 0.00 0.05 -0.06 0.03 0.00 0.02 -0.05 -0.02 -0.02 -0.01 0.03 -0.01 -0.00 -0.04 -0.01 -0.02 0.04 -0.01 -0.00 0.00 0.01 0.04 0.06 0.00 -0.01 0.01 0.05 0.20 -0.03 -0.02 -0.14 0.01 0.03 0.12 -0.01 0.01 -0.01 0.01 0.04 0.15 0.01 -0.01 -0.09 0.03 -0.00 -0.05 -0.04 -0.00 -0.09 0.01 -0.00 0.02 -0.06 0.01 -0.03 -0.03 -0.00 0.03 -0.00 0.00 0.02 0.02 -0.01 0.01 0.27 -0.28 0.23 -0.21 -0.22 -0.17 0.10 0.29 0.05 -0.05 -0.01 0.09 -0.11 0.12 -0.16 0.15 -0.02 -0.13 -0.01 -0.02 -0.02 0.04 -0.04 -0.01 0.02 0.06 0.25 -0.06 -0.06 -0.33 -0.02 -0.01 -0.08 0.01 0.05 0.19 0.08 0.00 -0.06 -0.06 -0.01 -0.12 0.04 -0.00 0.06 -0.11 0.01 -0.03 -0.05 -0.01 0.08 0.04 -0.01 -0.02 -0.01 -0.01 -0.02 -0.06 0.04 -0.15 0.16 0.16 -0.07 0.01 -0.01 0.01 0.01 0.03 0.06 0.02 0.04 0.05 0.01 0.01 0.06 -0.01 -0.00 0.06 0.05 0.02 0.08 0.01 0.07 -0.00 -0.00 -0.02 0.04 0.01 0.06 -0.06 -0.00 -0.01 0.02 -0.08 -0.02 -0.09 -0.06 -0.03 0.04 -0.07 -0.01 -0.07 -0.06 -0.02 0.04 -0.04 -0.06 0.11 -0.02 -0.04 -0.00 -0.01 -0.09 0.03 -0.01 -0.10 -0.07 0.00 -0.00 0.02 0.00 -0.01 0.02 0.01 -0.00 0.02 0.00 -0.00 -0.00 0.02 0.00 0.00 0.01 0.01 -0.01 -0.01 0.03 0.11 0.03 -0.01 0.08 0.24 -0.18 0.28 -0.18 -0.13 -0.14 0.08 0.36 0.11 -0.06 0.03 0.24 -0.16 0.23 -0.17 0.23 -0.02 -0.12 0.01 -0.03 0.03 -0.12 -0.11 -0.10 -0.06 0.00 0.04 -0.06 -0.08 0.18 -0.00 -0.12 0.03 0.00 -0.12 -0.17 -0.01 -0.01 0.02 0.02 -0.01 0.03 -0.00 -0.00 -0.01 0.02 0.00 0.00 0.01 0.02 -0.03 0.03 -0.02 -0.03 -0.03 -0.01 -0.01 0.07 -0.12 -0.04 -0.02 -0.04 0.03 0.01 0.05 -0.05 -0.05 -0.03 -0.03 -0.02 0.03 0.00 0.00 0.01 0.05 0.00 -0.04 0.01 -0.01 0.02 0.01 -0.04 0.05 0.00 -0.01 -0.00 0.02 0.02 -0.07 0.00 -0.02 -0.00 0.01 0.00 0.01 0.01 -0.03 0.03 -0.00 0.04 0.05 0.04 -0.02 0.05 -0.01 -0.03 0.04 0.01 -0.00 0.05 -0.02 -0.01 0.04 -0.00 -0.00 0.04 -0.03 0.01 -0.02 0.03 0.02 -0.05 0.06 0.02 -0.06 0.06 0.02 0.00 0.00 0.03 -0.01 0.01 0.02 0.06 -0.05 0.01 0.02 0.09 0.01 -0.05 -0.00 -0.12 0.13 -0.09 0.10 0.10 0.16 -0.01 -0.18 -0.01 -0.14 -0.01 0.47 -0.30 0.36 -0.25 0.31 -0.20 -0.20 0.01 -0.00 0.01 -0.04 0.02 0.01 -0.03 0.06 -0.02 -0.03 0.04 0.03 -0.00 0.02 0.00 0.00 0.04 -0.05 0.01 -0.07 0.07 0.03 -0.07 0.08 0.01 0.01 -0.02 0.03 -0.00 0.01 0.02 0.13 -0.11 -0.09 -0.02 -0.03 0.00 0.05 0.09 0.06 -0.10 -0.07 0.07 0.02 0.01 0.01 0.04 -0.04 -0.10 0.03 -0.06 0.08 0.00 0.01 0.06 0.02 -0.01 0.05 0.01 0.01 0.04 -0.02 -0.05 0.08 -0.01 0.07 0.03 0.06 -0.11 0.05 -0.03 -0.00 -0.03 0.03 -0.10 -0.05 0.02 0.03 -0.09 -0.01 -0.03 -0.00 0.06 0.11 -0.08 -0.00 -0.08 -0.08 -0.04 0.01 -0.02 0.01 -0.04 -0.02 -0.05 0.02 0.00 -0.02 0.00 0.01 -0.02 0.05 0.01 -0.05 0.06 0.03 -0.05 0.07 0.02 0.00 -0.00 0.04 -0.02 0.02 0.04 0.05 -0.05 0.09 0.00 -0.01 0.04 0.00 -0.00 0.15 -0.13 0.00 -0.08 -0.10 -0.19 -0.02 0.14 -0.01 0.15 0.04 -0.31 0.31 -0.23 0.30 -0.25 0.16 0.24 0.07 0.06 -0.16 -0.14 0.07 0.03 -0.10 0.01 -0.10 -0.09 -0.07 0.05 -0.00 -0.08 0.05 0.03 -0.02 0.03 0.00 -0.07 0.08 0.04 -0.07 0.10 0.01 0.01 -0.03 0.06 -0.02 0.02 0.03 0.12 -0.12 -0.01 -0.01 -0.02 -0.02 0.02 0.01 0.04 0.05 -0.00 0.07 0.09 -0.02 -0.01 -0.09 0.11 -0.12 0.11 -0.12 0.01 0.03 -0.03 0.01 0.01 0.01 0.06 -0.01 -0.04 0.01 -0.04 -0.04 -0.05 0.07 0.00 -0.00 -0.05 0.04 0.06 0.04 -0.04 -0.02 -0.04 0.02 -0.02 0.05 0.14 0.05 -0.04 -0.04 -0.04 0.02 0.25 0.03 -0.08 -0.10 0.05 -0.07 -0.07 0.01 -0.07 -0.00 0.04 -0.05 -0.01 0.03 -0.05 0.09 -0.01 0.01 -0.02 -0.02 0.05 -0.06 -0.03 0.06 -0.06 -0.02 0.00 -0.01 -0.04 0.01 -0.01 -0.03 -0.06 0.05 -0.02 0.04 0.04 0.10 -0.04 -0.03 -0.04 0.02 -0.15 0.06 -0.01 0.11 0.02 -0.22 -0.06 -0.16 0.01 0.33 -0.21 0.32 -0.15 0.18 -0.09 -0.13 0.01 -0.06 0.04 -0.17 0.19 0.13 0.04 -0.10 -0.11 0.05 -0.08 -0.09 0.03 -0.03 0.01 0.05 -0.01 0.22 -0.02 0.07 -0.08 -0.04 0.07 -0.09 -0.01 0.00 0.00 -0.04 0.01 -0.01 -0.03 -0.14 0.12 0.09 0.02 0.04 -0.03 -0.03 -0.07 0.09 -0.07 -0.08 -0.08 -0.03 -0.07 0.00 0.00 -0.00 -0.06 0.00 -0.08 -0.05 0.00 0.03 -0.07 0.03 -0.04 -0.06 0.10 -0.00 0.04 0.01 0.13 0.04 -0.06 -0.02 -0.05 -0.03 0.09 -0.02 0.02 -0.07 0.01 -0.01 0.10 0.01 0.01 0.05 -0.00 0.00 -0.01 0.05 0.04 0.14 -0.00 -0.00 -0.04 -0.00 0.01 -0.02 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.02 0.02 0.00 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 0.01 -0.01 -0.12 0.05 -0.12 -0.07 0.17 0.05 0.21 -0.19 0.39 -0.18 -0.12 -0.04 0.15 0.36 0.12 0.16 0.01 -0.28 0.16 -0.29 0.10 -0.13 0.07 0.08 -0.09 -0.06 0.17 -0.12 0.06 0.05 -0.01 -0.01 -0.05 -0.00 0.01 -0.03 -0.00 0.01 -0.01 0.00 0.03 0.06 0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 0.01 0.02 -0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.04 0.03 0.01 0.01 -0.01 -0.02 -0.12 0.06 -0.02 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.02 0.01 0.00 0.02 0.00 0.00 -0.02 0.01 0.00 0.02 0.01 -0.05 0.01 -0.01 -0.01 0.03 -0.00 -0.12 -0.11 -0.02 -0.10 0.12 -0.00 -0.11 -0.11 0.03 -0.16 0.13 -0.02 -0.21 0.02 0.01 0.10 -0.10 -0.10 0.22 -0.01 -0.03 0.10 -0.08 -0.11 0.20 0.07 0.07 0.05 -0.01 -0.01 0.14 0.06 0.09 -0.02 0.01 -0.03 0.01 0.02 -0.01 -0.00 -0.00 -0.02 0.00 -0.01 0.01 0.00 -0.03 -0.02 -0.02 0.00 0.02 -0.02 0.03 -0.01 0.01 -0.00 -0.01 -0.01 -0.02 0.02 0.02 0.03 0.01 -0.10 -0.15 -0.04 -0.05 0.19 0.01 -0.19 0.18 -0.03 -0.36 0.03 0.03 0.39 -0.04 -0.04 0.07 -0.12 -0.13 0.24 0.10 0.11 -0.08 -0.00 0.01 0.11 0.09 0.17 0.03 -0.00 0.02 -0.03 -0.04 0.02 0.01 -0.06 -0.06 0.12 0.06 0.03 -0.01 -0.05 0.06 -0.04 0.02 -0.03 -0.08 -0.12 0.08 -0.02 -0.08 0.04 -0.06 -0.09 0.10 -0.10 0.08 0.09 -0.02 -0.13 -0.16 0.00 0.19 -0.13 0.02 -0.04 0.02 0.01 0.18 -0.12 -0.02 0.01 0.01 0.05 0.01 0.00 -0.01 0.01 0.08 0.05 0.01 0.03 0.05 0.04 0.01 0.02 0.00 0.01 0.02 0.05 -0.01 0.00 0.03 -0.03 0.01 -0.02 -0.03 0.02 0.01 -0.04 -0.01 0.00 -0.05 0.01 0.00 0.01 -0.03 0.01 -0.01 -0.01 -0.02 0.03 0.10 -0.17 -0.01 -0.05 -0.05 0.14 -0.23 0.17 0.12 0.05 0.17 0.01 -0.14 0.09 0.11 0.03 -0.11 -0.25 -0.12 -0.27 -0.28 0.12 -0.00 -0.21 0.01 0.28 -0.20 -0.10 0.05 0.00 0.06 0.01 0.05 0.06 0.06 0.01 0.01 0.06 -0.01 -0.02 0.02 -0.05 0.04 0.02 -0.05 -0.02 -0.01 -0.06 0.03 0.01 0.03 -0.05 0.01 -0.01 -0.02 -0.05 0.08 -0.17 0.01 -0.01 0.28 -0.00 0.01 0.02 -0.05 -0.07 -0.04 -0.02 -0.05 -0.00 -0.01 0.02 -0.02 0.01 -0.03 -0.06 -0.05 0.07 -0.03 -0.04 -0.05 -0.08 0.05 0.05 -0.02 0.19 0.16 -0.13 0.02 0.03 0.00 -0.16 -0.07 -0.04 0.01 -0.04 0.09 -0.16 -0.05 -0.01 -0.00 -0.00 0.02 0.01 -0.00 0.01 0.01 0.06 0.03 0.01 0.01 0.02 0.02 0.00 0.01 0.01 0.00 0.01 0.02 -0.00 0.01 0.02 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.08 -0.02 -0.12 -0.10 0.15 0.12 -0.16 0.26 0.33 0.13 0.28 0.03 0.02 0.32 0.16 -0.25 -0.04 0.14 -0.21 0.16 -0.04 -0.02 0.03 -0.02 -0.02 -0.15 -0.04 -0.09 0.01 -0.01 0.03 0.02 0.02 0.03 0.03 0.00 0.01 0.03 -0.00 0.00 0.02 -0.02 0.01 0.01 -0.02 -0.01 -0.00 -0.02 0.01 0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.01 0.02 0.00 -0.01 -0.01 -0.02 0.01 0.01 -0.05 -0.12 -0.12 -0.12 -0.07 -0.00 -0.02 -0.08 0.17 -0.06 0.06 0.03 0.07 0.07 -0.02 0.05 0.02 0.08 -0.01 -0.10 -0.02 0.09 0.00 -0.01 0.05 0.06 0.16 0.03 0.01 0.01 -0.06 -0.10 -0.04 -0.01 0.01 -0.01 -0.11 -0.00 -0.08 0.04 0.03 -0.02 -0.11 0.01 -0.01 0.10 0.08 0.06 0.06 0.07 0.04 0.08 0.06 0.02 0.06 0.07 0.01 0.05 0.07 -0.09 0.03 -0.06 -0.05 0.04 0.00 -0.09 -0.02 -0.02 -0.09 0.02 0.01 0.01 -0.07 0.02 -0.03 -0.04 -0.03 0.05 0.08 0.04 0.25 0.02 -0.19 -0.09 0.18 -0.08 0.02 -0.01 -0.07 -0.03 0.12 0.08 -0.01 0.08 0.08 0.14 0.20 0.08 0.32 -0.15 -0.03 0.24 0.06 -0.01 -0.02 -0.18 0.00 -0.09 0.10 0.12 0.12 0.08 0.09 0.07 0.07 0.06 0.02 0.04 0.05 -0.17 0.09 0.01 -0.11 -0.07 -0.06 -0.13 0.06 0.03 0.06 -0.12 0.03 -0.04 -0.06 -0.07 0.13 -0.01 0.00 -0.01 0.04 0.01 -0.01 0.02 -0.06 -0.00 0.05 -0.04 0.04 -0.01 -0.02 0.11 -0.04 -0.01 0.03 -0.00 0.05 0.07 0.00 0.08 -0.01 -0.05 0.16 0.09 -0.13 -0.11 -0.08 0.10 0.01 -0.12 -0.01 -0.04 0.03 -0.00 0.02 0.09 -0.00 -0.09 0.06 -0.02 0.02 -0.03 -0.05 0.02 -0.01 0.01 0.09 -0.04 -0.01 0.05 -0.01 -0.03 -0.02 0.03 0.04 0.05 0.01 0.03 -0.04 0.00 0.06 0.01 -0.03 0.02 -0.04 -0.02 0.02 -0.02 -0.04 -0.01 -0.03 -0.04 0.01 0.00 0.00 -0.04 0.00 -0.01 -0.03 -0.01 0.02 -0.04 0.10 -0.09 -0.13 0.24 0.09 -0.04 -0.12 -0.33 -0.19 -0.15 -0.06 -0.32 -0.24 -0.01 0.21 0.07 -0.16 -0.01 -0.16 -0.26 0.27 0.08 -0.19 0.01 -0.07 0.03 0.01 0.01 -0.03 -0.03 0.10 -0.00 -0.05 -0.05 0.07 0.05 -0.09 0.01 0.10 0.00 -0.05 0.04 -0.02 -0.05 -0.04 -0.06 -0.06 0.03 0.02 0.03 -0.07 0.01 -0.02 -0.04 -0.01 0.05 0.01 0.01 0.01 -0.04 0.00 0.01 0.06 0.05 0.07 -0.02 0.00 0.01 -0.01 -0.02 0.16 -0.04 -0.07 0.07 -0.02 -0.07 -0.05 -0.01 -0.05 -0.07 0.06 -0.03 -0.08 0.07 0.08 0.06 -0.11 -0.04 0.03 -0.00 0.01 -0.01 0.06 -0.00 -0.02 0.00 0.03 -0.01 0.05 0.09 0.00 -0.11 0.05 0.03 0.11 0.24 -0.16 -0.08 0.05 -0.10 -0.07 -0.08 0.05 0.04 0.05 0.01 0.04 -0.14 -0.05 0.10 -0.03 0.03 0.03 -0.05 -0.03 0.03 -0.05 -0.05 -0.02 -0.03 -0.06 0.01 0.01 -0.01 -0.06 -0.01 -0.00 -0.05 -0.01 0.02 -0.02 -0.07 -0.15 0.08 -0.01 -0.04 -0.03 0.12 0.26 0.16 0.14 0.05 0.21 0.18 0.01 -0.21 -0.10 0.06 -0.07 0.09 0.09 -0.16 -0.05 0.06 -0.03 0.04 0.00 0.18 -0.02 0.01 -0.12 0.09 -0.18 -0.13 -0.16 0.11 0.07 -0.24 -0.11 0.21 -0.02 0.07 0.06 -0.06 -0.04 -0.06 -0.08 -0.10 0.05 0.05 0.02 -0.09 -0.02 0.01 -0.06 -0.01 0.06 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 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.17 -0.13 0.01 -0.17 0.15 0.01 -0.16 0.13 -0.00 0.16 -0.13 0.00 0.00 -0.01 -0.01 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.01 0.02 0.01 0.01 0.00 0.02 0.01 -0.00 -0.02 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.03 -0.00 -0.01 -0.00 -0.02 0.35 -0.27 0.02 -0.34 0.29 0.02 -0.36 0.29 0.00 0.35 -0.29 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.02 0.01 0.00 0.02 -0.02 0.01 -0.02 -0.04 0.03 0.02 -0.10 -0.06 -0.11 0.02 0.06 -0.00 -0.03 -0.00 0.01 0.00 -0.04 0.01 0.02 -0.01 0.01 0.02 0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.00 0.02 -0.02 0.02 -0.00 -0.03 0.02 -0.00 0.11 -0.06 0.01 0.01 -0.13 0.01 0.22 -0.07 0.01 -0.03 0.17 0.04 -0.03 -0.12 -0.03 -0.13 -0.09 0.07 0.04 0.21 -0.04 -0.13 -0.09 -0.03 -0.02 0.07 -0.02 0.04 0.04 0.00 0.05 0.02 -0.01 0.03 -0.02 0.04 0.01 -0.01 0.04 -0.03 0.02 0.00 -0.01 -0.09 -0.01 0.07 0.00 -0.03 0.03 0.04 0.04 0.04 -0.01 0.01 0.03 0.01 -0.05 -0.03 -0.01 -0.03 0.01 -0.01 -0.02 0.00 -0.01 0.01 0.02 -0.01 0.04 0.17 -0.05 0.08 -0.02 0.46 0.02 -0.06 -0.16 0.09 0.17 0.52 -0.10 -0.13 -0.10 -0.05 0.08 0.02 0.04 0.15 0.01 -0.04 0.05 -0.09 0.06 0.05 -0.04 0.05 -0.06 0.02 -0.03 -0.03 -0.01 0.07 -0.03 0.00 0.02 0.05 -0.04 -0.13 -0.03 -0.06 0.02 -0.04 -0.08 -0.08 -0.00 0.06 -0.03 0.10 0.05 -0.02 0.02 0.18 -0.02 -0.07 0.03 -0.07 -0.06 0.03 0.09 0.03 -0.01 -0.01 -0.01 0.04 -0.03 0.01 -0.07 0.01 0.16 -0.13 0.02 0.07 0.00 0.07 0.05 0.09 0.03 0.21 -0.10 -0.01 -0.09 -0.06 0.07 0.01 0.02 -0.02 -0.08 0.04 0.01 -0.03 -0.12 -0.01 -0.05 0.12 -0.02 -0.01 0.05 -0.02 0.04 0.02 -0.00 0.02 0.03 -0.01 -0.00 -0.01 0.03 0.02 -0.01 0.02 -0.02 0.01 0.01 0.04 0.34 0.10 -0.19 0.03 0.04 -0.13 -0.09 -0.20 -0.14 0.10 -0.10 -0.13 0.03 0.25 0.11 -0.01 0.05 -0.13 -0.06 0.13 -0.02 -0.04 0.02 -0.13 0.09 0.03 -0.06 -0.00 0.00 -0.20 -0.22 0.07 -0.00 -0.01 -0.05 -0.01 -0.31 -0.06 -0.04 0.17 -0.05 0.08 -0.01 0.02 0.08 0.03 -0.03 0.00 -0.04 0.05 0.05 -0.04 0.03 -0.04 0.00 -0.01 -0.03 0.02 0.06 -0.04 -0.00 0.00 0.08 0.05 -0.02 0.02 -0.04 -0.02 0.02 0.10 0.07 -0.06 -0.07 -0.04 0.09 -0.02 -0.08 -0.00 0.08 0.00 -0.03 -0.02 -0.02 -0.04 0.00 0.03 0.03 0.01 -0.07 -0.06 0.05 -0.01 0.05 -0.03 0.01 0.22 -0.17 0.05 -0.01 0.02 -0.09 -0.03 -0.09 0.12 -0.06 0.09 -0.03 0.07 0.05 -0.09 -0.05 -0.06 -0.00 0.04 -0.09 0.01 -0.01 0.16 0.02 -0.00 -0.11 0.02 0.02 -0.06 0.02 -0.03 -0.02 0.01 -0.02 -0.02 0.01 -0.01 0.02 -0.02 -0.02 0.02 -0.02 0.03 -0.01 -0.11 0.04 0.20 0.10 -0.16 -0.04 0.07 -0.11 -0.02 -0.13 -0.11 0.12 0.05 -0.09 -0.03 0.13 0.08 0.04 0.04 -0.03 0.01 0.02 -0.05 -0.00 -0.10 -0.24 0.21 0.05 0.08 0.03 -0.03 0.20 0.27 -0.11 -0.07 -0.04 0.08 -0.01 0.44 0.08 -0.00 -0.10 0.04 -0.09 0.02 -0.02 -0.11 -0.00 0.03 -0.04 0.07 -0.04 -0.07 0.07 -0.02 0.04 -0.01 0.03 0.01 0.07 -0.01 -0.02 0.00 0.01 -0.09 -0.02 0.08 -0.03 0.04 0.01 -0.02 -0.04 -0.03 0.03 0.02 0.12 -0.06 0.00 -0.10 -0.07 -0.14 -0.03 0.11 0.03 0.09 0.00 -0.10 -0.02 0.07 0.02 -0.12 -0.15 0.04 -0.01 0.02 0.09 0.03 0.20 -0.19 -0.03 -0.01 -0.02 0.02 0.00 0.01 -0.05 0.01 -0.02 0.02 -0.01 -0.00 0.02 0.02 0.03 0.01 -0.00 0.04 -0.00 0.01 -0.05 0.00 0.02 0.02 -0.01 -0.04 0.05 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 0.02 -0.02 0.01 0.02 -0.02 0.01 -0.03 0.02 -0.23 -0.01 -0.22 -0.07 0.12 -0.00 0.06 0.03 -0.13 0.13 0.03 -0.19 -0.02 0.02 -0.05 -0.27 -0.06 0.04 -0.04 0.27 0.02 0.01 0.19 0.03 -0.24 -0.35 0.33 -0.03 -0.02 -0.02 0.01 -0.04 -0.07 0.03 0.03 0.03 -0.02 0.00 -0.13 -0.02 0.01 -0.01 -0.02 0.07 -0.04 0.01 0.08 -0.03 -0.01 0.07 -0.07 0.01 0.07 -0.07 0.01 -0.05 0.03 0.01 0.00 0.01 -0.03 0.01 0.01 0.01 0.01 -0.03 -0.07 -0.04 -0.03 0.01 0.07 0.06 -0.03 0.02 0.01 0.08 -0.08 0.07 0.03 -0.04 -0.00 -0.00 0.03 0.04 0.01 0.01 -0.02 0.00 0.02 -0.00 0.03 -0.03 0.01 -0.01 0.03 -0.01 0.01 0.01 -0.03 0.00 0.04 -0.03 0.06 0.00 -0.05 -0.01 0.04 0.00 0.01 -0.05 0.02 0.09 -0.01 0.01 -0.05 -0.03 0.06 0.02 -0.01 0.01 -0.04 -0.09 0.01 0.02 0.19 -0.18 0.01 -0.03 -0.03 0.00 -0.02 -0.01 -0.00 -0.09 0.07 -0.02 -0.08 0.08 -0.04 0.13 -0.11 0.03 -0.05 -0.04 -0.00 0.07 0.08 -0.04 0.06 -0.08 0.09 0.05 -0.14 -0.14 0.01 0.04 -0.14 -0.05 -0.03 -0.05 0.10 -0.05 0.08 0.15 -0.02 0.02 -0.04 0.02 -0.02 0.07 -0.03 0.04 -0.13 0.02 0.09 -0.00 0.04 -0.02 0.07 -0.01 -0.07 -0.10 -0.03 0.02 -0.27 0.16 -0.02 -0.27 0.14 0.03 -0.30 0.28 -0.02 -0.31 0.27 -0.04 0.17 -0.15 -0.01 -0.01 -0.01 0.06 -0.02 -0.02 0.01 -0.09 0.05 0.16 0.04 0.12 0.01 0.03 0.01 -0.05 0.04 0.04 -0.16 0.15 -0.16 -0.09 0.08 -0.06 0.02 -0.01 -0.09 0.00 -0.00 0.04 -0.03 -0.04 0.00 -0.09 0.01 0.01 0.06 -0.10 0.07 -0.01 0.02 0.01 -0.02 0.01 -0.01 0.05 -0.00 -0.02 -0.09 0.03 -0.05 0.02 -0.04 0.01 0.07 0.01 0.02 -0.01 -0.02 0.06 0.01 0.01 -0.03 -0.02 -0.04 0.02 0.01 0.09 -0.07 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.04 0.03 -0.01 -0.03 0.04 -0.02 0.05 -0.05 -0.13 0.11 -0.04 -0.04 -0.05 -0.18 0.09 -0.11 0.18 -0.16 -0.10 0.28 0.32 -0.01 -0.09 0.22 0.09 0.07 0.09 -0.16 0.11 -0.18 -0.30 0.04 -0.11 -0.03 0.07 0.04 0.04 -0.00 0.05 -0.11 -0.02 0.09 0.03 0.03 -0.02 0.05 -0.08 -0.07 -0.04 -0.02 -0.00 -0.11 0.07 -0.01 -0.11 0.06 0.01 -0.14 0.12 0.00 -0.14 0.12 -0.02 0.08 -0.07 -0.03 -0.06 -0.03 -0.04 0.02 0.02 0.04 0.00 0.00 -0.06 -0.01 0.02 -0.01 0.00 0.00 -0.00 0.06 0.03 -0.07 -0.02 0.02 0.18 0.12 -0.03 0.11 0.09 -0.06 -0.07 0.03 0.09 -0.05 -0.07 -0.04 0.19 -0.08 0.17 0.09 -0.03 -0.05 0.03 0.13 -0.10 -0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.15 -0.10 -0.06 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.01 -0.00 0.02 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 0.13 0.09 -0.26 -0.02 0.35 0.05 -0.12 0.05 0.16 -0.01 0.06 0.08 -0.01 0.06 0.07 0.05 -0.02 -0.03 -0.09 -0.17 -0.10 0.03 -0.10 -0.08 0.25 -0.44 0.36 0.01 -0.01 0.01 -0.00 0.03 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.02 0.01 0.02 0.00 0.01 0.01 -0.01 0.00 0.01 -0.01 0.00 0.02 -0.01 -0.01 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.03 0.05 0.02 -0.03 -0.02 0.01 0.03 0.13 -0.05 0.01 -0.02 -0.05 -0.02 0.01 -0.01 0.02 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.02 -0.01 0.03 0.00 0.02 -0.00 0.00 0.02 0.00 0.01 -0.00 0.02 0.07 -0.12 -0.01 0.00 -0.27 0.08 -0.01 0.13 -0.05 -0.02 0.03 0.07 0.01 0.12 -0.03 0.05 0.31 0.02 -0.04 -0.02 -0.04 -0.12 -0.03 0.03 -0.09 0.06 0.02 -0.04 -0.02 -0.01 -0.02 -0.01 -0.00 0.03 -0.05 -0.03 0.04 -0.03 -0.03 -0.06 0.05 0.02 0.01 -0.00 0.00 0.00 -0.02 -0.01 -0.00 0.03 -0.01 0.00 0.03 0.03 0.00 -0.01 0.02 0.00 0.00 -0.00 -0.03 0.00 -0.02 -0.04 -0.01 0.04 -0.02 0.02 -0.00 0.34 -0.10 -0.02 -0.15 -0.07 0.08 0.02 0.33 -0.04 0.00 -0.18 -0.10 -0.22 -0.39 0.01 0.09 -0.13 -0.04 0.07 -0.12 0.02 0.19 -0.13 -0.04 0.17 -0.14 -0.04 -0.05 0.06 -0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.09 0.01 -0.00 0.04 0.02 -0.01 0.29 -0.08 0.01 0.01 -0.04 -0.02 -0.01 0.00 -0.03 0.06 0.03 -0.01 -0.06 0.00 0.01 0.02 0.01 -0.02 -0.02 -0.02 -0.00 0.07 -0.02 0.05 -0.07 -0.01 0.02 0.01 0.01 -0.01 -0.03 -0.03 -0.01 -0.10 -0.02 0.03 0.10 0.06 0.06 -0.12 -0.12 0.04 -0.17 0.17 -0.01 0.16 -0.18 0.02 0.06 0.16 -0.05 0.05 0.06 -0.01 0.18 0.10 0.08 0.05 -0.02 -0.04 -0.12 0.11 0.11 0.04 -0.11 -0.12 -0.11 0.01 0.04 -0.21 -0.07 -0.11 0.08 0.02 -0.00 -0.14 0.06 -0.01 -0.00 0.02 0.00 0.04 0.02 -0.02 0.03 0.02 -0.02 0.01 -0.01 0.02 0.01 -0.03 0.03 -0.06 -0.08 0.01 0.09 -0.13 0.11 -0.06 -0.04 -0.02 -0.18 0.01 0.02 -0.18 0.15 -0.01 0.11 0.05 -0.05 -0.24 0.08 0.02 -0.22 -0.05 0.04 -0.21 -0.01 0.06 0.12 -0.09 -0.01 0.12 -0.05 0.05 -0.23 -0.05 -0.05 -0.02 -0.03 -0.02 -0.03 0.02 0.01 -0.19 0.01 -0.03 0.09 0.03 0.01 -0.10 -0.07 -0.03 0.02 -0.10 -0.06 -0.04 0.01 -0.09 0.13 0.06 -0.03 -0.15 0.00 0.04 0.05 0.02 -0.05 -0.06 -0.06 -0.00 0.15 -0.04 0.10 -0.15 -0.02 0.09 0.03 0.03 -0.02 -0.07 -0.04 -0.07 0.04 -0.02 0.04 0.27 0.17 0.12 0.09 0.03 -0.00 0.05 -0.03 0.03 -0.02 0.03 -0.04 -0.03 -0.04 -0.03 0.00 0.03 0.04 -0.09 0.01 -0.05 -0.03 0.05 0.04 0.03 -0.01 -0.04 -0.02 0.02 0.06 0.05 -0.03 -0.01 0.10 0.06 0.01 0.17 0.04 0.02 -0.34 0.12 -0.03 0.01 0.04 0.01 0.09 0.05 -0.04 0.11 0.04 -0.07 0.02 -0.02 0.06 0.02 -0.07 0.08 -0.16 -0.21 0.02 0.18 -0.29 0.25 -0.15 -0.07 -0.08 0.09 0.02 -0.04 0.08 -0.00 -0.03 -0.04 -0.04 -0.11 0.08 0.03 0.05 0.05 -0.01 0.07 0.09 0.00 0.06 -0.07 -0.09 0.07 -0.02 -0.09 0.05 0.10 0.03 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.03 -0.02 0.02 -0.06 -0.14 -0.01 0.01 0.00 -0.01 0.00 0.00 0.02 -0.02 -0.00 -0.01 0.06 -0.00 -0.02 -0.03 -0.00 0.03 0.02 0.02 0.00 -0.03 0.00 -0.02 0.05 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.03 -0.05 -0.06 0.01 -0.09 -0.01 -0.05 0.03 -0.02 0.05 0.04 -0.03 0.01 0.07 0.04 0.03 0.06 0.03 -0.02 -0.04 0.06 0.04 0.02 -0.13 0.07 0.03 0.06 0.22 0.19 -0.22 0.06 0.00 0.23 -0.05 -0.01 -0.07 -0.22 -0.19 0.13 0.02 -0.10 -0.04 -0.00 -0.04 0.09 -0.01 -0.01 -0.01 -0.01 0.02 -0.04 -0.01 0.03 -0.03 -0.01 0.03 0.01 0.01 -0.02 -0.01 0.01 -0.02 0.05 0.05 -0.01 -0.04 0.04 -0.04 0.01 0.14 -0.04 -0.05 0.10 -0.01 -0.06 -0.02 0.15 0.05 -0.11 -0.14 0.07 0.01 -0.10 0.01 0.12 0.28 -0.07 0.10 0.21 0.10 -0.31 -0.02 -0.01 -0.36 -0.08 0.01 0.15 0.15 -0.04 -0.04 -0.05 0.03 -0.01 -0.01 0.04 -0.04 -0.01 0.03 0.00 -0.04 0.00 0.22 0.08 -0.02 0.01 0.03 0.01 -0.04 -0.05 0.00 -0.02 0.07 -0.09 0.05 0.05 0.10 0.00 -0.09 -0.05 -0.06 -0.02 0.03 0.09 0.12 -0.07 0.07 0.04 0.00 0.08 0.09 0.01 -0.03 0.07 0.10 -0.02 0.08 -0.02 0.04 -0.06 0.07 0.00 -0.06 0.09 -0.08 -0.08 -0.09 0.05 -0.04 -0.11 -0.03 0.09 -0.11 -0.04 -0.03 0.06 0.02 0.07 0.13 -0.01 0.07 -0.15 -0.01 0.06 0.21 -0.02 -0.11 -0.12 -0.05 -0.13 -0.05 -0.10 -0.02 0.04 -0.04 0.09 -0.07 0.01 0.03 0.07 0.02 -0.05 0.13 0.02 -0.11 0.12 0.02 -0.10 -0.11 -0.10 -0.01 -0.02 0.01 0.03 -0.11 -0.08 0.01 0.01 0.13 0.12 0.02 -0.14 0.07 0.12 -0.09 -0.02 0.14 -0.01 -0.16 -0.14 0.11 0.20 -0.01 -0.03 0.05 0.02 0.09 0.01 -0.17 0.04 -0.02 0.22 0.12 -0.20 -0.02 0.06 -0.24 -0.14 0.07 0.13 -0.07 -0.08 -0.10 0.07 -0.03 -0.02 0.07 -0.02 -0.01 -0.01 -0.04 -0.01 -0.01 -0.13 -0.04 0.00 0.02 0.00 0.04 -0.08 -0.04 -0.06 -0.05 0.11 -0.01 0.10 0.04 0.14 -0.01 -0.12 -0.06 -0.09 -0.03 -0.02 0.21 0.22 -0.01 0.10 0.05 -0.01 0.17 0.20 0.02 0.04 -0.03 -0.07 0.03 -0.06 -0.06 -0.07 0.00 -0.07 0.00 0.04 -0.06 0.05 0.04 0.05 -0.03 0.04 0.08 0.02 -0.05 0.07 0.01 0.01 -0.04 -0.01 -0.03 -0.07 0.02 -0.02 0.07 0.01 -0.04 -0.10 0.01 0.06 0.06 0.01 0.05 0.04 0.06 0.00 -0.03 -0.08 0.02 0.06 0.01 0.03 0.11 0.01 -0.06 0.18 0.02 -0.15 0.17 0.03 -0.13 -0.23 -0.18 -0.06 -0.05 0.05 0.00 -0.11 -0.01 0.01 -0.09 0.40 0.17 0.04 0.11 -0.02 -0.10 0.06 -0.00 -0.11 -0.02 0.10 0.10 -0.07 -0.10 0.01 -0.00 -0.05 -0.01 -0.03 0.01 0.09 -0.02 0.03 -0.12 -0.08 0.10 0.01 -0.06 0.12 0.08 -0.03 -0.06 0.04 0.04 0.06 -0.03 0.01 0.02 0.11 -0.03 -0.03 0.01 -0.03 -0.04 -0.03 0.01 0.03 0.02 0.02 0.00 -0.08 0.06 -0.14 0.08 -0.03 0.18 -0.11 0.07 0.12 0.07 0.01 -0.09 -0.11 -0.10 -0.04 0.05 -0.12 -0.11 -0.07 0.13 0.08 -0.02 -0.10 -0.14 0.06 0.07 0.01 -0.03 0.12 0.02 -0.09 -0.11 -0.01 -0.13 0.01 0.02 0.01 0.05 -0.01 -0.04 -0.03 -0.04 0.14 0.02 -0.04 0.05 -0.09 0.03 -0.03 -0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.02 -0.01 0.00 0.02 0.01 -0.00 -0.01 -0.03 0.03 -0.00 0.01 0.09 0.02 0.34 -0.06 -0.01 0.08 0.07 -0.01 0.01 0.05 0.00 0.03 0.25 0.00 -0.16 0.03 -0.03 0.06 -0.03 -0.14 0.04 -0.22 -0.34 -0.03 0.20 -0.17 -0.25 0.07 0.09 0.01 -0.11 -0.01 0.06 -0.08 -0.08 0.02 0.13 0.06 -0.02 0.01 -0.06 0.12 0.02 0.00 0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.02 -0.03 0.00 -0.04 0.02 0.01 0.03 -0.02 -0.02 -0.02 0.01 -0.01 -0.01 -0.10 0.03 -0.07 -0.01 -0.04 0.09 -0.04 0.09 0.08 0.07 -0.04 -0.05 0.02 -0.01 0.05 -0.04 0.02 -0.11 0.05 -0.04 -0.04 -0.03 -0.00 0.04 0.05 0.05 0.02 -0.02 0.06 0.05 0.04 -0.10 0.03 0.01 0.05 0.06 -0.03 0.08 -0.14 0.01 0.22 0.14 0.05 -0.11 0.10 -0.17 0.02 0.05 0.09 0.07 -0.01 -0.12 -0.07 -0.21 0.19 0.02 -0.09 0.03 -0.17 0.09 -0.00 0.02 -0.02 0.02 -0.04 0.03 -0.01 -0.06 0.02 0.04 0.04 -0.04 -0.02 0.02 -0.05 0.01 -0.05 0.04 -0.05 -0.00 -0.20 -0.02 0.01 -0.06 -0.03 -0.00 0.01 -0.03 -0.00 0.01 -0.09 -0.00 0.06 0.00 0.02 -0.02 0.02 0.06 -0.01 0.08 0.12 0.02 -0.10 0.05 0.14 -0.13 0.06 -0.14 -0.11 -0.06 0.15 -0.05 -0.13 -0.09 0.14 0.16 -0.06 0.01 -0.06 0.48 0.04 -0.04 0.03 -0.02 -0.07 0.00 0.04 0.11 -0.09 -0.03 0.09 -0.11 -0.01 -0.03 0.08 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.01 0.02 0.03 -0.02 -0.02 0.02 0.01 0.01 -0.01 0.00 0.01 -0.01 0.02 0.00 0.01 -0.05 -0.05 -0.04 -0.01 -0.01 -0.00 0.01 0.03 0.03 0.01 0.01 0.01 0.01 -0.03 -0.04 -0.02 0.01 0.01 0.02 0.01 -0.01 0.06 0.00 0.06 0.11 -0.00 -0.01 -0.02 -0.08 -0.04 -0.09 -0.01 0.02 -0.12 0.01 0.02 0.15 0.14 0.08 0.11 0.03 -0.06 -0.09 -0.03 -0.05 0.02 -0.02 0.04 -0.01 -0.00 0.01 -0.05 -0.01 -0.03 0.06 0.00 -0.08 0.01 0.03 0.05 -0.02 0.03 -0.00 -0.02 -0.09 -0.01 -0.01 -0.02 0.01 -0.02 -0.00 0.00 -0.02 -0.07 -0.00 0.03 0.02 0.03 0.01 0.03 0.03 0.02 0.02 0.03 0.02 -0.01 -0.05 0.09 0.02 -0.10 0.06 -0.11 -0.14 -0.39 -0.10 -0.11 -0.41 0.12 0.05 -0.03 -0.08 -0.15 -0.47 0.02 0.18 -0.12 0.02 0.16 -0.13 -0.04 0.01 -0.02 -0.05 -0.01 -0.04 0.02 0.19 -0.13 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.02 0.02 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.02 0.02 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.02 0.01 0.02 -0.01 -0.00 -0.01 -0.01 0.02 -0.04 0.01 0.01 -0.01 0.00 -0.01 0.02 0.01 0.02 0.02 0.02 -0.01 0.03 -0.02 -0.00 -0.07 -0.04 -0.03 -0.03 -0.02 -0.00 0.03 0.03 -0.09 0.08 0.02 0.04 -0.07 -0.00 0.07 -0.04 0.02 -0.12 0.08 -0.00 -0.10 0.11 -0.03 0.06 -0.06 -0.02 0.00 -0.01 0.03 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.03 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.03 -0.04 -0.03 0.03 -0.04 0.03 0.02 0.10 0.03 0.01 0.08 -0.04 0.01 0.02 0.03 0.03 0.18 -0.01 0.37 -0.34 -0.03 0.37 -0.31 0.04 0.10 -0.06 0.01 0.10 -0.05 -0.05 0.43 -0.37 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.04 -0.08 0.09 0.05 0.10 -0.09 -0.02 0.04 0.01 -0.00 0.00 0.02 0.03 -0.02 0.03 0.01 0.02 -0.08 -0.15 -0.10 -0.01 -0.01 -0.01 0.01 0.05 0.05 0.03 0.04 0.02 0.02 -0.09 -0.04 -0.08 0.03 0.01 0.03 0.06 -0.01 0.15 -0.03 -0.02 -0.14 -0.03 0.01 -0.08 -0.04 -0.00 0.06 0.02 0.04 0.03 -0.02 -0.02 -0.03 0.07 0.01 -0.11 0.03 -0.02 0.04 -0.02 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.02 -0.02 -0.01 -0.00 0.02 -0.00 -0.03 -0.01 0.02 0.01 0.01 0.10 -0.01 0.08 -0.20 -0.03 -0.00 -0.03 0.03 -0.05 0.02 0.01 -0.08 -0.15 0.00 0.07 0.05 0.05 0.03 0.06 0.05 0.04 0.03 0.05 0.03 -0.02 -0.14 0.21 0.16 0.04 0.16 0.01 0.05 0.34 0.07 0.11 0.48 0.10 0.09 0.15 0.03 0.06 0.34 0.02 0.08 -0.05 0.01 0.06 -0.06 -0.03 0.05 -0.05 -0.04 0.04 -0.06 0.01 0.10 -0.06 0.01 0.01 0.01 0.02 -0.01 -0.00 -0.05 0.02 0.01 -0.02 0.02 0.02 0.01 0.03 0.02 -0.01 -0.00 0.00 0.02 -0.02 0.03 0.01 0.05 0.08 0.04 0.07 -0.01 0.05 -0.00 -0.03 -0.04 -0.05 -0.01 -0.05 -0.02 -0.00 0.07 -0.07 -0.06 -0.07 -0.00 -0.03 -0.04 -0.06 0.01 -0.01 -0.07 -0.01 0.03 0.04 -0.00 0.01 -0.05 0.01 -0.02 0.03 -0.01 0.03 -0.03 0.02 0.04 0.04 -0.03 0.03 0.02 -0.01 -0.03 0.11 -0.11 -0.03 -0.02 0.07 -0.00 -0.08 0.01 -0.03 0.01 0.04 -0.01 -0.05 -0.04 0.05 -0.07 0.07 -0.07 0.08 -0.01 0.04 0.13 0.05 0.04 0.01 -0.05 0.06 0.01 -0.07 0.02 0.01 -0.02 -0.07 -0.07 -0.03 -0.05 -0.05 -0.03 -0.02 -0.01 -0.02 0.02 0.07 -0.15 -0.05 -0.10 0.01 -0.00 -0.01 0.04 0.01 0.07 0.09 0.08 0.01 0.06 -0.03 0.04 0.04 0.00 0.08 -0.03 0.01 0.08 -0.09 -0.09 0.33 -0.29 -0.09 0.33 -0.34 0.01 0.41 -0.32 -0.02 -0.01 -0.02 -0.03 0.01 0.01 0.05 -0.02 -0.04 0.02 -0.07 -0.03 0.01 -0.02 0.01 -0.02 0.01 0.01 -0.04 0.04 -0.07 -0.01 -0.14 -0.09 0.06 -0.05 -0.01 -0.10 0.01 0.07 0.06 0.08 0.01 0.09 0.00 0.02 -0.10 0.20 0.14 0.12 0.01 0.03 0.01 -0.01 -0.03 -0.00 -0.03 -0.00 -0.02 0.01 0.01 0.02 -0.02 0.01 -0.03 0.00 0.01 0.02 -0.02 -0.00 -0.01 0.00 0.01 0.01 0.03 0.00 -0.01 0.10 -0.09 -0.01 -0.03 0.05 -0.00 -0.05 0.03 -0.01 -0.00 0.02 -0.00 -0.02 -0.01 0.02 -0.06 0.05 0.05 -0.18 -0.11 0.12 -0.25 -0.13 -0.07 -0.04 0.14 -0.17 -0.03 0.22 0.05 -0.03 0.01 0.09 0.10 0.03 0.07 0.09 0.02 0.05 0.05 0.01 0.01 0.10 0.05 -0.00 -0.01 -0.03 -0.00 0.00 -0.03 -0.03 0.00 -0.05 -0.00 -0.06 -0.06 -0.01 0.01 -0.06 -0.01 0.05 -0.01 0.01 0.07 -0.06 -0.05 0.27 -0.23 -0.03 0.29 -0.26 -0.00 0.33 -0.27 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.04 -0.00 -0.03 0.01 0.02 0.09 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.02 -0.00 -0.04 0.01 0.09 0.04 -0.01 -0.03 0.00 0.02 0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 0.06 0.04 0.02 0.01 -0.01 -0.05 -0.08 0.02 0.00 -0.05 0.03 0.02 0.04 -0.00 -0.01 -0.05 -0.00 -0.02 0.02 -0.07 0.01 -0.00 0.06 0.04 0.03 -0.07 0.01 -0.01 -0.06 -0.02 -0.07 0.05 -0.02 0.03 0.00 -0.00 -0.01 -0.06 -0.04 0.02 0.02 -0.01 -0.03 -0.05 0.03 0.05 -0.02 -0.05 -0.04 -0.10 0.12 -0.03 -0.04 -0.01 -0.02 0.05 -0.06 -0.01 0.09 0.06 -0.01 -0.02 -0.01 -0.00 -0.02 -0.01 0.02 -0.01 0.02 0.02 -0.01 0.02 0.16 -0.13 -0.11 -0.19 0.01 -0.01 -0.04 0.03 0.07 0.14 0.41 0.14 0.14 0.47 0.01 0.10 0.37 0.01 0.03 -0.00 0.02 -0.04 -0.01 -0.06 -0.16 0.12 -0.08 -0.20 0.10 0.04 -0.17 0.19 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.04 -0.04 -0.01 -0.02 0.03 -0.01 -0.09 -0.03 0.02 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.03 -0.04 -0.04 0.04 0.02 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.03 -0.03 0.02 -0.04 0.00 0.01 -0.01 0.02 0.03 0.07 -0.01 0.01 0.07 0.06 -0.01 -0.04 0.00 0.01 0.04 -0.01 -0.01 -0.05 -0.08 0.01 0.04 0.11 -0.05 -0.05 -0.04 -0.02 -0.01 -0.08 0.00 0.05 -0.04 0.02 -0.01 -0.00 -0.00 0.01 0.04 0.02 -0.01 -0.02 0.01 0.02 0.04 -0.02 -0.04 0.01 0.04 -0.00 0.05 -0.07 -0.01 0.05 0.02 0.01 -0.03 0.02 0.00 -0.03 -0.01 0.00 -0.00 0.03 0.02 0.02 0.00 -0.02 0.01 -0.02 -0.04 -0.00 -0.04 -0.22 0.20 -0.00 0.06 -0.02 -0.03 -0.03 -0.28 0.06 0.06 0.44 0.04 0.10 0.57 0.09 0.08 0.29 -0.01 -0.07 0.05 -0.00 0.03 0.03 0.04 0.07 -0.05 0.06 0.14 -0.06 -0.02 0.11 -0.13 -0.01 -0.00 -0.01 -0.03 0.00 0.01 -0.02 0.01 0.02 -0.02 0.04 0.01 -0.03 -0.03 -0.01 0.01 -0.01 -0.00 -0.05 0.03 -0.05 -0.00 -0.12 0.01 -0.06 0.07 0.08 -0.00 0.01 -0.02 0.04 0.06 0.00 0.04 -0.11 0.08 0.05 -0.12 -0.09 0.13 0.04 -0.02 -0.00 0.01 0.03 -0.00 0.02 -0.01 0.00 -0.01 -0.01 -0.01 0.02 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.03 0.02 -0.01 -0.02 0.01 0.01 0.03 -0.02 -0.01 -0.00 -0.11 -0.09 -0.16 -0.10 0.17 0.13 0.04 -0.02 -0.01 -0.06 -0.03 0.06 0.07 -0.03 -0.05 0.08 0.08 0.04 0.09 0.09 0.05 -0.03 -0.03 0.02 0.04 0.68 -0.50 0.01 0.02 0.03 -0.01 -0.00 -0.04 0.01 -0.01 0.05 0.00 0.02 0.02 0.01 -0.01 -0.01 0.01 -0.06 0.04 -0.00 0.05 -0.01 0.05 -0.02 0.02 0.04 0.07 -0.02 -0.02 0.01 -0.02 -0.01 -0.01 -0.01 -0.02 0.01 0.00 0.02 0.08 -0.04 -0.03 -0.01 0.05 0.09 0.05 0.03 -0.01 0.01 0.00 -0.04 0.04 -0.02 -0.02 -0.06 -0.05 -0.06 -0.01 0.13 0.03 0.01 -0.04 -0.00 0.02 -0.00 0.01 0.03 -0.05 0.08 -0.08 -0.04 0.10 -0.01 0.04 0.05 0.04 -0.03 0.01 -0.02 0.01 -0.02 -0.01 0.01 0.02 -0.04 -0.00 -0.04 0.00 0.02 0.04 -0.03 -0.02 -0.05 -0.01 0.02 0.00 0.02 -0.00 0.00 -0.01 0.01 -0.04 -0.03 0.07 -0.00 0.00 -0.09 -0.07 -0.01 0.07 -0.02 -0.02 -0.10 0.04 0.02 0.01 0.03 -0.07 0.04 -0.05 0.04 0.18 0.06 -0.01 -0.05 -0.00 -0.01 -0.00 0.04 -0.01 -0.05 0.08 0.07 0.05 0.03 -0.02 0.03 -0.04 -0.09 -0.00 -0.10 -0.22 0.26 0.03 0.06 -0.02 0.02 0.00 0.09 -0.04 0.01 -0.09 -0.05 -0.08 -0.05 -0.02 0.02 0.01 -0.03 0.37 -0.26 0.02 -0.35 0.20 -0.14 0.23 -0.22 -0.11 -0.32 0.16 0.04 -0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.04 -0.02 -0.01 -0.01 0.02 0.04 0.04 0.02 -0.01 0.01 0.00 -0.02 0.02 -0.01 -0.01 -0.02 -0.02 -0.02 -0.01 0.06 0.02 0.00 -0.02 -0.00 0.01 -0.00 0.00 0.03 -0.03 0.03 -0.03 -0.02 0.04 -0.01 0.02 0.02 0.01 -0.01 0.00 -0.02 -0.00 -0.01 -0.00 0.00 0.01 -0.02 0.00 -0.02 0.00 0.02 0.02 -0.02 -0.02 -0.02 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.02 0.01 -0.02 0.07 -0.04 0.00 -0.08 0.02 -0.04 0.06 -0.02 -0.01 -0.08 0.01 0.02 0.02 -0.00 0.02 -0.03 0.02 -0.01 -0.00 0.08 0.03 -0.00 -0.03 0.00 -0.01 -0.00 0.02 -0.01 -0.02 0.03 0.03 0.02 0.01 -0.01 0.01 -0.02 -0.04 -0.00 -0.05 -0.15 0.17 0.01 0.02 -0.01 0.01 -0.01 0.04 -0.02 0.00 -0.07 -0.02 -0.04 -0.05 -0.01 0.01 -0.00 0.01 -0.36 0.31 -0.00 0.41 -0.36 -0.04 -0.34 0.27 -0.07 0.27 -0.27 0.02 -0.04 0.06 0.01 0.01 0.00 0.01 -0.01 0.00 0.03 -0.04 0.03 0.03 0.02 -0.02 0.14 0.01 0.03 -0.00 0.01 -0.00 0.04 -0.04 0.02 0.02 0.07 -0.01 -0.07 -0.05 -0.11 -0.02 -0.02 0.03 0.02 -0.00 0.01 -0.00 -0.08 0.09 -0.07 -0.00 0.03 -0.08 0.03 -0.04 0.07 0.11 -0.10 0.02 0.06 0.05 -0.02 -0.04 0.03 0.03 0.01 0.02 -0.02 -0.02 0.02 0.05 -0.03 -0.00 -0.12 -0.05 0.02 -0.03 -0.00 -0.04 0.02 -0.00 0.01 -0.05 0.03 0.03 0.00 -0.04 -0.06 -0.10 0.04 0.04 -0.02 -0.07 -0.08 0.04 0.01 0.01 -0.00 0.10 0.05 -0.19 0.04 -0.13 -0.06 0.03 0.01 0.04 0.02 -0.07 -0.12 0.02 0.08 -0.02 -0.02 -0.01 0.03 0.04 0.02 -0.00 0.03 0.02 0.10 0.44 -0.42 0.14 0.24 -0.08 -0.00 -0.06 -0.24 -0.03 -0.02 -0.13 -0.10 -0.03 0.16 0.03 0.07 0.25 -0.04 0.00 0.06 0.01 -0.04 -0.06 -0.16 -0.04 0.01 -0.13 -0.05 -0.08 0.04 0.02 0.00 0.01 0.00 0.00 0.02 -0.00 -0.00 -0.00 0.05 -0.10 0.01 -0.04 0.04 0.04 -0.01 -0.00 0.03 -0.02 -0.01 -0.00 0.00 -0.00 0.01 0.02 -0.06 -0.01 -0.05 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.05 -0.01 0.00 0.05 -0.09 0.01 -0.01 -0.00 0.05 0.10 0.00 0.03 0.00 0.00 -0.02 -0.04 -0.02 -0.00 -0.12 0.01 -0.02 -0.05 0.01 0.01 0.02 -0.02 -0.00 0.03 -0.01 -0.00 0.06 0.01 -0.01 0.01 -0.01 0.03 -0.01 -0.00 0.01 -0.02 -0.02 0.01 0.01 -0.00 -0.02 -0.01 0.01 -0.02 0.02 0.03 0.02 -0.01 -0.09 0.02 0.00 -0.01 0.01 -0.00 0.01 0.01 -0.01 -0.03 0.01 0.02 0.02 0.02 0.01 0.02 0.00 0.01 -0.02 -0.02 0.00 0.04 0.15 -0.13 -0.11 -0.05 0.09 0.09 0.23 0.69 0.06 0.06 0.31 -0.06 0.00 -0.12 -0.06 -0.11 -0.33 -0.01 -0.11 0.10 -0.00 -0.11 0.07 -0.03 -0.01 0.00 -0.01 0.03 -0.04 0.00 0.10 -0.09 -0.03 -0.01 -0.02 -0.05 0.01 0.01 0.00 0.00 -0.02 0.01 -0.02 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.07 0.05 0.11 -0.04 0.18 -0.00 0.03 -0.05 -0.06 0.06 0.01 0.01 -0.11 -0.11 -0.01 -0.07 -0.09 -0.04 -0.01 0.04 0.04 0.34 0.02 0.03 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.00 -0.00 -0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.02 -0.02 0.00 -0.02 0.02 0.00 -0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.09 0.31 0.38 0.07 -0.14 -0.11 0.10 0.02 -0.19 0.03 -0.01 -0.13 -0.20 -0.01 0.11 -0.03 -0.07 -0.06 -0.18 -0.25 -0.09 -0.01 -0.07 -0.04 -0.20 0.27 -0.13 -0.02 -0.02 0.01 0.02 0.06 0.16 0.02 0.03 0.12 -0.00 -0.00 -0.02 -0.02 -0.03 -0.11 -0.00 0.10 -0.08 -0.00 0.10 -0.08 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.08 0.07 0.01 0.00 0.00 0.02 -0.00 -0.00 0.03 0.07 -0.06 0.00 -0.03 0.03 -0.06 0.02 0.01 -0.03 0.02 0.01 -0.01 0.00 0.00 0.01 0.02 -0.07 -0.03 -0.08 0.03 0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.02 0.05 -0.00 -0.00 0.03 -0.09 0.01 -0.01 0.06 -0.01 -0.01 0.00 -0.05 -0.01 -0.02 0.01 0.01 0.01 -0.04 0.06 -0.05 0.00 -0.03 -0.00 -0.02 -0.04 0.03 -0.00 -0.01 0.04 0.04 0.04 -0.02 0.04 -0.04 0.01 -0.07 0.04 0.00 -0.05 0.06 0.03 -0.00 -0.01 0.00 0.02 0.01 -0.01 0.05 -0.05 0.04 0.03 0.01 -0.13 0.06 0.06 -0.00 0.02 -0.03 0.03 0.01 -0.05 -0.05 0.01 0.03 0.06 0.05 0.03 0.02 -0.02 0.02 -0.03 -0.06 -0.00 0.04 0.15 -0.13 0.05 -0.03 -0.01 -0.02 -0.14 -0.25 -0.01 0.06 0.23 0.08 -0.10 0.01 0.00 -0.03 -0.26 0.01 0.34 -0.30 -0.00 0.36 -0.25 0.05 -0.01 0.03 0.03 -0.05 0.07 0.01 -0.31 0.28 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.04 -0.06 0.03 0.00 0.02 -0.02 0.08 -0.03 0.03 0.04 -0.03 -0.01 0.00 -0.02 -0.02 -0.00 -0.04 0.08 0.02 0.08 -0.03 -0.02 0.00 0.00 0.02 0.00 0.01 0.01 0.03 -0.04 -0.00 -0.01 -0.02 0.03 -0.01 0.00 -0.06 0.05 0.04 -0.01 0.07 0.01 0.02 -0.02 -0.02 0.01 0.07 0.03 0.03 -0.03 -0.09 0.00 -0.01 -0.06 -0.04 -0.01 0.01 -0.02 -0.01 0.10 0.03 0.03 -0.01 -0.01 -0.02 0.04 0.01 -0.05 0.01 -0.05 0.02 0.02 -0.01 -0.03 -0.03 0.01 0.03 -0.02 -0.03 -0.06 -0.09 0.08 -0.03 -0.07 -0.02 -0.02 0.06 -0.03 -0.00 0.07 0.08 -0.00 -0.04 -0.07 -0.05 -0.02 0.01 0.06 -0.01 0.03 0.08 0.01 0.00 -0.16 0.11 -0.08 0.06 0.03 -0.04 -0.00 -0.27 0.13 0.11 0.49 -0.09 0.09 0.00 -0.12 -0.17 -0.49 -0.03 0.18 -0.12 -0.01 0.15 -0.16 -0.07 -0.01 -0.00 -0.05 -0.04 -0.02 0.02 -0.15 0.12 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.00 0.01 -0.01 0.02 -0.05 -0.01 0.02 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.02 0.02 0.00 0.03 -0.01 -0.01 -0.00 0.00 0.02 0.01 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.03 0.02 0.02 -0.00 0.03 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.09 0.03 0.00 0.05 0.01 0.02 0.08 -0.02 -0.00 0.01 -0.02 -0.02 -0.06 -0.00 0.06 -0.05 0.00 -0.05 0.06 0.00 -0.05 0.05 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.05 -0.04 -0.00 -0.03 -0.03 0.02 -0.01 -0.03 -0.02 -0.01 0.04 -0.01 0.00 0.03 0.03 0.00 -0.02 -0.03 -0.02 -0.01 0.01 0.04 0.00 0.01 0.03 0.01 0.01 -0.05 0.04 -0.04 0.03 0.02 0.06 0.18 0.47 -0.04 -0.08 -0.30 -0.04 0.03 -0.01 0.04 0.08 0.34 -0.01 0.32 -0.25 -0.00 0.32 -0.23 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.02 -0.28 0.22 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.02 0.02 -0.09 -0.00 -0.03 0.02 0.05 -0.02 0.01 0.07 -0.06 -0.01 -0.01 0.04 0.03 0.00 0.02 -0.06 0.05 -0.05 0.05 0.03 0.02 -0.02 -0.04 -0.02 0.00 -0.00 -0.01 0.02 -0.00 0.03 0.03 -0.03 0.01 -0.00 -0.09 0.05 0.23 -0.03 0.00 -0.13 0.03 -0.01 -0.09 0.01 0.08 0.09 0.05 0.01 0.07 -0.01 -0.00 -0.02 -0.01 0.01 0.00 -0.03 -0.04 -0.04 0.02 0.01 0.00 -0.01 0.00 0.01 0.00 -0.01 -0.01 -0.03 0.01 0.01 -0.01 -0.01 -0.02 0.00 0.00 -0.00 -0.01 0.02 -0.08 0.03 0.01 0.08 0.09 -0.01 -0.09 -0.03 -0.02 0.01 -0.01 -0.02 -0.01 0.06 0.04 -0.01 -0.07 -0.12 -0.03 0.01 -0.04 -0.02 0.00 0.08 -0.06 -0.25 0.05 0.21 -0.09 -0.09 -0.61 -0.03 -0.10 -0.38 -0.06 0.11 -0.06 -0.02 0.04 0.30 -0.02 0.02 0.00 0.00 0.00 -0.02 -0.04 0.01 -0.01 -0.02 -0.03 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.02 -0.07 0.13 -0.03 0.03 -0.08 0.04 -0.03 0.00 -0.02 0.01 -0.00 -0.08 0.07 0.09 -0.01 -0.01 -0.13 0.10 -0.11 0.12 0.09 0.02 -0.08 -0.09 0.02 0.04 0.01 -0.01 0.03 0.00 0.08 -0.04 -0.07 0.01 -0.01 -0.07 -0.07 -0.11 -0.01 0.04 0.04 0.01 0.01 0.04 -0.02 0.04 -0.04 0.05 -0.01 -0.03 -0.00 0.02 0.00 -0.01 0.01 -0.01 -0.02 -0.02 0.03 0.02 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.02 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.02 -0.03 -0.14 0.16 0.10 0.36 0.14 -0.00 -0.12 0.05 -0.00 -0.04 0.10 -0.00 -0.09 0.33 0.25 -0.02 -0.22 -0.42 -0.13 0.17 -0.05 -0.09 0.01 0.12 -0.07 0.05 -0.07 -0.10 -0.02 0.13 0.11 0.07 0.01 0.09 -0.05 0.13 0.04 -0.05 -0.05 -0.08 -0.01 0.04 -0.02 -0.00 0.01 -0.02 -0.03 -0.01 0.00 -0.01 0.01 -0.02 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 0.05 -0.01 0.06 -0.05 -0.00 0.07 -0.06 0.01 -0.08 0.07 0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 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 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.31 -0.26 0.00 -0.36 0.28 0.02 -0.38 0.30 -0.01 0.46 -0.38 0.01 -0.05 0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.03 0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.06 -0.05 0.02 -0.00 0.02 0.04 -0.01 0.01 -0.04 0.00 -0.07 -0.08 0.01 0.06 0.09 -0.01 -0.00 -0.01 -0.01 -0.01 0.02 0.03 -0.00 0.00 0.03 0.03 0.03 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.03 -0.05 0.02 -0.06 -0.28 0.06 0.36 0.32 0.13 -0.09 0.32 0.18 -0.18 0.23 0.19 -0.12 -0.21 -0.29 -0.17 0.34 0.22 -0.04 -0.01 -0.01 -0.01 -0.01 0.03 0.02 0.01 -0.04 -0.00 -0.02 0.00 -0.00 0.01 -0.05 -0.02 0.02 0.02 0.02 0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -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 -0.01 -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 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.02 0.01 0.07 0.00 -0.00 -0.00 -0.02 -0.03 -0.12 0.01 0.02 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 0.01 0.03 -0.01 0.00 -0.00 -0.03 0.01 0.03 0.03 0.01 -0.02 -0.00 0.02 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.03 0.06 -0.06 -0.11 -0.43 0.11 0.19 0.72 -0.07 -0.10 -0.43 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.01 0.01 0.01 -0.02 0.00 -0.07 0.06 0.00 -0.05 0.05 -0.02 0.07 -0.06 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.20 0.18 0.01 -0.17 0.11 -0.03 0.44 -0.37 -0.01 0.35 -0.28 0.01 -0.44 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 -0.06 -0.03 -0.02 0.00 0.01 -0.01 -0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 0.05 0.06 -0.03 -0.01 -0.01 0.00 0.02 0.01 0.02 0.09 -0.04 -0.02 -0.07 0.06 0.06 0.00 0.01 -0.03 -0.03 -0.02 -0.02 -0.02 -0.02 0.09 0.08 0.03 0.02 0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.06 0.01 -0.02 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.02 -0.00 0.03 0.06 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.02 -0.08 -0.26 0.08 -0.27 -0.17 0.31 -0.12 -0.16 -0.28 -0.10 0.27 0.15 -0.16 -0.12 -0.18 -0.15 -0.17 -0.22 -0.09 -0.16 0.19 0.29 0.01 0.11 -0.03 -0.03 0.08 0.13 0.03 0.03 -0.13 0.08 -0.02 -0.01 -0.03 0.05 -0.12 0.08 0.07 0.04 -0.06 0.00 -0.03 -0.00 -0.00 -0.00 0.02 0.02 0.03 -0.02 -0.00 0.01 0.00 0.01 -0.01 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.07 -0.05 -0.01 -0.00 -0.01 -0.02 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.03 -0.02 0.01 0.02 -0.00 0.08 0.07 -0.08 -0.04 0.03 -0.00 0.00 0.00 0.04 -0.04 -0.05 0.01 -0.03 -0.01 0.06 0.02 0.04 0.00 0.01 0.05 0.06 0.03 0.01 0.02 0.00 0.00 -0.00 -0.01 -0.16 -0.10 0.05 0.13 -0.10 -0.00 0.01 -0.01 -0.00 -0.03 -0.02 0.01 0.03 0.19 -0.05 -0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.02 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.01 -0.11 -0.02 -0.31 -0.18 0.55 0.29 0.04 0.01 -0.08 0.02 -0.01 -0.07 -0.07 -0.01 0.04 0.11 0.09 0.13 0.15 0.06 0.11 -0.14 -0.20 -0.01 -0.09 -0.04 0.05 0.01 0.07 0.02 -0.14 -0.15 0.10 0.15 -0.08 0.01 0.00 -0.08 -0.01 0.09 0.20 -0.05 -0.00 -0.03 -0.01 -0.02 0.00 0.02 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.02 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.01 -0.00 0.00 -0.01 -0.00 0.02 0.00 0.02 -0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.02 0.02 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.02 0.00 -0.01 -0.00 0.02 0.00 0.01 0.00 0.00 -0.03 0.05 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 0.11 0.02 -0.03 -0.10 0.06 0.00 0.01 -0.02 0.01 0.01 -0.00 -0.01 -0.00 -0.08 0.02 0.01 0.00 -0.00 -0.04 -0.22 -0.28 -0.27 0.14 0.18 -0.03 0.01 0.04 -0.01 -0.04 -0.03 0.31 0.10 0.08 -0.02 -0.01 -0.08 -0.04 0.16 0.10 0.01 0.01 -0.03 0.01 -0.00 -0.03 -0.03 -0.00 0.02 0.05 0.04 0.04 0.04 0.01 0.03 -0.04 -0.07 -0.01 -0.03 -0.01 0.02 -0.05 0.12 0.01 0.14 0.00 0.02 -0.11 0.05 0.01 0.03 -0.05 0.03 -0.04 -0.09 0.02 0.03 -0.28 -0.27 -0.23 0.16 0.26 -0.01 0.10 -0.03 -0.00 0.03 -0.07 0.32 0.04 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.05 0.01 -0.00 0.00 0.02 0.02 -0.02 0.00 -0.01 0.00 0.00 0.03 0.01 -0.02 -0.01 0.00 -0.09 -0.06 0.08 0.04 -0.03 -0.03 0.02 -0.01 -0.02 0.02 0.04 -0.01 0.03 0.03 -0.04 -0.02 -0.03 0.00 -0.01 -0.05 -0.06 -0.02 -0.01 0.01 -0.01 0.00 0.01 0.01 -0.16 -0.02 0.04 0.16 -0.10 -0.01 0.01 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.13 -0.04 0.02 0.01 0.00 -0.01 -0.05 -0.06 -0.06 0.03 0.04 -0.02 0.01 0.02 -0.00 -0.02 -0.02 0.07 0.02 0.02 0.11 0.05 0.42 0.22 -0.55 -0.26 -0.14 0.03 0.12 0.08 0.04 -0.04 0.00 0.07 0.01 -0.03 -0.03 -0.07 -0.08 -0.05 -0.06 0.06 0.07 -0.00 0.06 0.06 -0.04 -0.03 -0.11 -0.02 -0.21 0.03 -0.04 0.18 -0.09 0.03 -0.07 0.10 -0.07 -0.00 0.14 -0.00 0.01 -0.06 -0.06 -0.06 0.04 0.04 -0.02 0.03 0.00 0.00 -0.01 -0.03 0.07 -0.00 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.06 0.05 -0.01 0.02 -0.03 -0.05 0.05 -0.00 0.07 -0.05 -0.02 0.02 0.01 -0.02 0.00 -0.03 -0.06 0.02 0.06 0.05 0.00 -0.04 0.04 -0.04 0.02 -0.03 0.01 0.00 0.01 0.02 0.01 -0.03 -0.03 0.01 0.00 -0.14 0.16 0.01 0.03 0.00 0.04 0.02 -0.03 -0.05 0.07 -0.11 0.01 -0.07 0.01 -0.00 0.01 -0.05 0.01 0.01 -0.02 0.00 0.03 0.07 -0.02 -0.03 -0.01 0.00 -0.00 0.02 0.02 0.03 -0.01 -0.03 0.04 -0.02 -0.02 -0.00 0.02 0.03 -0.02 -0.00 -0.00 0.05 0.03 0.25 0.26 -0.25 -0.02 -0.13 0.07 0.02 0.14 0.04 -0.18 -0.15 0.08 0.11 0.16 0.12 0.08 0.04 -0.09 0.04 -0.09 -0.20 -0.04 -0.01 0.04 0.00 -0.21 0.41 0.02 0.17 -0.29 0.10 -0.08 -0.01 0.06 0.13 -0.25 0.05 -0.02 0.07 -0.03 -0.04 0.00 0.03 0.02 -0.06 -0.00 0.04 -0.02 -0.03 -0.04 0.04 0.01 -0.03 0.01 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.20 -0.10 -0.05 -0.01 0.00 -0.00 0.02 -0.02 0.00 -0.04 0.04 0.02 0.03 0.01 -0.02 0.01 -0.03 -0.05 0.07 0.09 0.05 0.01 -0.06 0.05 -0.06 0.03 -0.04 0.00 0.01 0.01 0.03 0.02 -0.03 -0.03 0.01 0.00 0.27 -0.01 0.06 0.01 0.01 -0.02 -0.02 0.01 0.03 -0.01 0.04 -0.00 -0.01 0.04 0.00 -0.01 0.03 -0.00 -0.03 -0.02 0.01 0.01 -0.05 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.03 0.14 0.35 -0.33 -0.08 -0.17 0.09 0.04 0.19 0.06 -0.22 -0.18 0.10 0.14 0.22 0.18 0.11 0.05 -0.13 0.06 -0.13 -0.30 -0.06 -0.02 0.04 0.01 0.24 -0.19 0.04 -0.04 0.07 -0.06 0.01 0.08 -0.07 -0.05 0.02 0.01 0.15 -0.07 -0.00 -0.01 0.01 -0.01 -0.02 -0.00 -0.02 -0.02 -0.01 -0.01 -0.01 0.01 0.00 0.02 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.07 -0.02 -0.03 0.02 0.06 0.06 -0.09 0.09 0.12 0.05 -0.10 -0.12 -0.13 -0.04 -0.04 -0.00 -0.00 -0.00 0.02 -0.02 -0.00 -0.01 0.01 -0.01 0.01 0.00 -0.02 -0.02 0.01 0.01 0.02 0.02 0.01 0.00 -0.01 0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 0.04 0.00 0.03 -0.05 0.02 -0.02 -0.01 0.01 0.03 -0.04 0.01 0.01 0.01 -0.00 0.50 -0.06 -0.08 0.24 0.21 0.30 0.12 0.28 0.32 0.42 -0.12 -0.18 -0.14 -0.05 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.04 0.01 -0.02 0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.03 0.04 0.06 -0.07 0.05 -0.04 0.09 -0.08 -0.00 -0.05 0.06 -0.06 -0.01 -0.05 -0.02 0.00 0.02 0.03 -0.02 0.01 0.01 0.01 0.02 0.02 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -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 0.11 0.15 0.44 0.03 0.21 0.30 -0.13 -0.04 0.30 -0.03 0.04 0.24 0.34 0.04 -0.21 -0.28 -0.23 -0.06 0.06 0.26 0.02 -0.02 0.18 0.06 -0.11 0.08 0.00 0.01 0.02 0.00 0.01 -0.03 -0.01 -0.00 0.01 0.00 0.01 -0.03 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 0.01 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 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.01 0.00 0.01 -0.03 0.00 0.01 0.00 -0.01 0.00 0.01 0.02 0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.03 -0.03 0.07 0.05 0.05 -0.11 -0.00 0.00 -0.07 0.01 0.01 0.02 0.05 0.06 0.04 -0.05 -0.06 0.01 -0.00 0.18 -0.04 0.12 0.02 0.03 -0.01 -0.03 -0.03 -0.01 0.01 -0.02 -0.02 0.01 0.02 0.02 -0.01 -0.03 -0.04 -0.02 0.03 0.02 -0.01 0.02 -0.00 0.00 -0.02 0.01 0.00 0.00 -0.03 -0.00 0.01 0.02 -0.01 0.00 -0.02 0.00 0.03 -0.00 -0.00 0.52 0.02 0.00 -0.35 -0.19 -0.25 -0.23 -0.12 -0.14 0.21 0.04 0.05 0.20 -0.30 -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.08 -0.10 -0.03 0.01 0.04 -0.10 0.01 0.03 0.01 -0.02 0.01 0.04 0.08 0.03 0.00 0.03 0.01 0.00 -0.02 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.02 -0.01 -0.01 0.03 0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.02 0.71 -0.16 0.46 0.11 0.11 -0.02 -0.11 -0.12 -0.05 0.04 -0.08 -0.06 0.04 0.08 0.07 -0.04 -0.10 -0.14 -0.06 0.12 0.07 -0.02 0.08 -0.00 0.03 -0.02 -0.02 0.00 -0.01 0.03 -0.03 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.03 0.00 0.00 -0.13 -0.00 -0.00 0.09 0.05 0.06 0.06 0.04 0.04 -0.04 -0.00 -0.02 -0.05 0.07 0.10 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 -0.03 0.01 0.03 0.02 -0.01 0.00 0.00 -0.01 -0.06 -0.05 0.02 0.00 0.12 -0.03 0.00 0.02 -0.00 -0.10 -0.04 0.02 0.09 -0.06 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.03 -0.02 0.03 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.09 -0.02 0.00 -0.03 -0.13 0.04 0.22 0.44 -0.14 -0.13 -0.01 0.02 0.78 -0.13 -0.08 -0.02 -0.00 -0.00 0.03 0.02 0.03 0.02 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.02 0.02 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.02 0.02 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.13 -0.05 -0.00 0.20 -0.07 -0.01 0.01 0.06 -0.01 -0.07 0.08 0.00 -0.09 0.03 0.01 -0.16 -0.02 -0.02 -0.05 -0.05 0.01 -0.01 0.04 0.05 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.35 -0.15 0.08 -0.14 0.04 -0.18 0.15 -0.11 0.04 -0.27 -0.05 0.32 0.13 -0.14 -0.10 0.27 0.21 0.03 -0.09 -0.31 -0.02 0.06 -0.20 -0.09 -0.34 0.10 0.10 0.04 0.02 0.01 0.00 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 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 0.00 0.00 0.00 0.00 -0.00 -0.00 0.08 -0.11 0.15 -0.11 0.05 -0.00 -0.06 -0.01 -0.03 -0.06 0.04 -0.09 -0.03 0.07 -0.09 0.08 0.01 0.01 0.06 0.03 -0.00 0.01 -0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.14 0.07 -0.02 0.07 -0.14 -0.02 0.09 -0.14 0.20 -0.10 0.01 0.32 0.39 -0.07 -0.27 0.17 0.16 0.24 0.23 -0.02 0.18 -0.23 -0.38 -0.04 0.16 -0.03 -0.05 -0.06 -0.01 -0.01 -0.02 0.04 -0.01 0.03 0.03 -0.01 -0.01 0.02 -0.00 0.02 -0.01 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.03 0.05 0.01 0.01 -0.01 -0.00 -0.01 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 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.01 0.07 -0.02 -0.01 -0.13 0.06 -0.00 -0.00 -0.01 -0.03 0.01 -0.00 0.03 -0.02 -0.00 0.11 -0.06 -0.00 -0.03 0.04 -0.01 0.02 -0.05 0.01 -0.09 -0.03 -0.02 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.03 -0.01 -0.02 0.01 0.02 0.03 -0.01 -0.00 -0.00 0.04 -0.02 -0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.02 -0.00 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 -0.01 -0.02 -0.01 0.00 -0.01 0.02 0.02 0.00 -0.03 0.01 0.01 -0.00 0.33 0.00 -0.32 0.62 -0.13 0.19 0.20 -0.06 -0.16 0.31 -0.05 -0.09 -0.05 0.03 0.22 -0.02 -0.04 0.11 0.09 0.12 0.02 -0.03 -0.03 0.01 0.02 0.03 -0.03 0.03 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -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 -0.01 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.00 0.00 0.02 -0.01 -0.01 0.01 0.00 0.00 -0.03 -0.04 -0.05 0.03 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 -0.05 -0.00 0.04 -0.07 0.01 -0.03 -0.04 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 0.35 -0.03 -0.05 0.02 0.01 0.01 -0.35 -0.32 -0.37 0.26 -0.02 -0.02 -0.25 0.38 0.46 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.04 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 0.01 -0.01 -0.00 0.06 0.02 0.02 -0.02 0.00 0.00 -0.03 -0.02 -0.03 -0.01 0.02 0.03 0.06 -0.02 -0.03 -0.01 0.02 0.02 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.12 0.00 -0.05 0.11 -0.02 0.02 0.02 -0.00 -0.03 0.09 -0.02 0.07 -0.01 -0.01 -0.38 0.03 0.05 -0.35 -0.28 -0.36 0.09 0.10 0.12 0.60 -0.06 -0.08 -0.09 0.14 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 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.02 0.01 0.00 0.00 -0.00 0.02 -0.02 -0.00 -0.04 -0.06 0.02 -0.03 -0.00 0.00 -0.00 0.08 -0.02 0.03 0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.09 0.00 0.08 -0.13 0.03 -0.28 -0.41 0.15 -0.25 0.61 -0.11 0.46 -0.03 -0.06 0.03 -0.00 -0.00 0.03 0.03 0.03 -0.01 -0.01 -0.01 -0.09 0.00 0.01 0.02 -0.03 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.04 0.03 -0.01 -0.03 0.03 0.05 0.01 0.01 0.00 -0.00 -0.00 -0.14 -0.10 -0.00 0.06 0.05 -0.01 -0.14 -0.01 -0.06 0.05 0.05 0.01 0.05 0.03 0.03 -0.06 -0.04 0.01 0.18 0.14 -0.02 0.01 0.01 0.00 -0.00 0.03 -0.00 -0.01 0.02 -0.02 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 -0.09 -0.03 -0.03 -0.02 -0.00 -0.00 -0.02 -0.01 -0.01 0.03 -0.00 -0.00 0.02 0.02 0.02 -0.00 -0.00 0.00 0.53 -0.25 0.04 0.10 -0.22 -0.01 0.20 -0.02 -0.24 -0.08 -0.04 -0.08 -0.03 -0.10 0.02 0.02 0.02 -0.01 0.02 0.08 -0.00 0.07 0.13 0.03 -0.09 0.04 -0.02 -0.24 -0.37 -0.05 0.05 -0.10 -0.01 -0.05 -0.06 0.01 -0.02 0.02 -0.01 0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.13 0.08 0.09 0.17 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.00 -0.00 -0.01 0.01 -0.10 -0.05 -0.04 0.01 -0.00 -0.00 -0.06 -0.05 0.00 0.02 0.02 -0.00 -0.05 0.00 -0.03 0.02 0.02 0.00 0.02 0.01 0.01 -0.02 -0.02 0.00 0.06 0.05 -0.01 0.00 0.00 0.00 0.01 0.04 -0.01 -0.00 -0.13 0.05 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.09 0.05 0.00 0.07 0.02 -0.01 -0.02 -0.00 0.00 0.25 0.07 0.08 0.07 0.01 0.01 0.06 0.03 0.03 -0.09 0.01 0.01 -0.06 -0.05 -0.06 0.01 0.00 0.00 0.21 -0.09 0.04 0.07 -0.08 0.01 0.09 -0.01 -0.10 -0.04 -0.02 -0.03 -0.01 -0.04 0.00 0.01 0.01 0.00 0.02 0.04 0.01 0.03 0.05 0.01 -0.03 0.01 -0.01 -0.06 0.32 -0.00 -0.09 0.17 -0.01 0.15 0.20 -0.06 0.12 -0.07 0.00 0.16 -0.01 -0.02 -0.02 0.01 0.03 0.02 -0.02 -0.02 -0.36 -0.21 -0.24 -0.49 -0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.03 0.04 -0.02 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.15 0.09 -0.08 0.03 -0.03 0.03 -0.09 -0.07 0.03 -0.05 -0.02 0.03 -0.04 -0.03 0.04 0.04 0.02 0.00 0.16 0.10 -0.04 -0.02 -0.01 -0.02 -0.00 0.05 -0.01 -0.01 -0.04 0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.02 -0.00 0.02 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.46 0.23 -0.24 -0.45 0.00 -0.22 -0.13 0.02 0.11 -0.01 0.01 0.07 -0.02 0.07 0.03 -0.01 -0.02 -0.12 -0.17 -0.17 -0.10 0.06 -0.02 -0.01 -0.18 0.15 0.18 -0.21 -0.20 -0.05 0.00 -0.00 -0.00 0.04 0.05 -0.02 0.02 0.00 -0.00 0.05 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 0.00 -0.18 0.05 -0.03 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 -0.01 0.00 0.00 0.00 -0.01 0.06 0.00 -0.03 0.11 -0.06 -0.00 -0.01 0.02 0.04 -0.05 0.01 0.02 0.03 -0.00 0.22 -0.10 0.00 -0.07 -0.05 0.02 0.02 -0.02 -0.00 0.12 0.02 0.02 0.01 0.01 0.01 0.03 0.02 0.02 -0.01 0.02 0.02 -0.03 -0.02 -0.02 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.02 -0.00 0.02 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.76 -0.05 -0.02 0.08 -0.03 -0.14 -0.18 0.05 -0.22 0.25 -0.03 -0.14 -0.01 0.04 -0.00 0.00 0.02 -0.04 -0.06 -0.05 -0.14 -0.08 -0.09 -0.12 -0.01 -0.02 -0.02 0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.05 0.05 -0.00 -0.03 -0.02 -0.02 0.01 -0.01 0.01 -0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.07 -0.01 -0.00 0.01 0.00 -0.01 0.03 0.07 0.08 0.00 0.06 -0.01 -0.01 -0.04 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.03 0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.17 -0.16 -0.03 -0.14 0.07 -0.06 -0.05 0.01 0.05 0.03 0.02 0.02 -0.00 0.05 0.00 -0.06 -0.03 -0.01 -0.03 -0.06 -0.02 -0.02 -0.06 -0.01 0.60 -0.45 -0.48 -0.07 -0.23 -0.03 -0.00 0.01 -0.00 0.04 0.05 -0.02 0.02 0.00 -0.00 0.04 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.02 -0.01 -0.02 0.01 -0.04 0.02 -0.00 -0.01 0.00 0.01 0.03 -0.02 -0.05 0.01 0.01 -0.01 -0.05 -0.03 0.01 -0.01 0.01 0.02 -0.01 0.01 0.02 -0.03 -0.00 -0.00 0.10 0.07 -0.01 0.01 0.03 0.04 0.00 -0.19 0.03 0.03 0.12 -0.00 0.01 0.03 -0.03 -0.01 -0.00 -0.00 -0.00 0.02 -0.01 0.08 -0.03 -0.00 -0.04 -0.03 0.01 0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.06 0.05 -0.03 -0.07 -0.03 -0.01 0.01 0.00 -0.03 -0.06 -0.02 0.01 -0.01 -0.02 0.01 0.00 0.01 -0.05 -0.05 -0.07 -0.03 0.07 -0.00 -0.02 0.28 -0.21 -0.22 0.06 0.78 0.09 0.02 -0.04 0.03 -0.14 -0.17 0.08 -0.06 0.00 0.01 -0.13 -0.00 0.02 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.03 -0.02 -0.03 0.02 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.18 0.05 -0.05 0.00 0.01 -0.01 -0.02 0.07 -0.01 -0.04 -0.02 0.01 -0.07 -0.15 0.04 -0.06 0.07 -0.01 0.05 0.01 -0.01 -0.03 0.08 0.09 0.04 -0.01 -0.02 -0.01 -0.03 -0.03 -0.03 -0.04 -0.04 0.06 -0.01 -0.02 -0.02 0.02 0.03 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.27 -0.10 -0.02 -0.22 0.48 -0.10 -0.20 -0.24 0.09 0.17 -0.40 0.07 0.20 -0.00 -0.04 0.18 -0.02 -0.04 -0.09 -0.10 -0.12 0.13 0.10 0.12 -0.23 -0.00 0.02 0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.13 0.13 -0.02 -0.05 -0.00 0.03 0.01 -0.02 0.00 -0.05 -0.03 0.01 -0.03 -0.05 0.01 -0.01 0.01 0.04 0.02 -0.00 -0.01 -0.02 -0.02 0.00 -0.04 0.00 0.01 0.02 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.44 -0.36 0.04 -0.44 0.07 -0.42 -0.07 0.01 0.03 0.21 0.08 -0.03 0.11 0.17 -0.05 -0.11 -0.09 0.10 0.03 0.06 0.00 -0.20 -0.04 0.06 -0.17 0.12 0.12 -0.03 0.13 0.01 -0.00 0.01 0.00 -0.04 -0.05 0.02 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.02 -0.00 -0.00 0.00 -0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.10 0.01 0.02 0.00 -0.00 0.01 0.02 -0.03 0.00 0.02 0.02 -0.01 0.07 0.05 -0.01 0.02 -0.05 0.01 -0.01 -0.01 0.00 -0.08 0.14 0.15 0.06 -0.02 -0.03 -0.03 -0.05 -0.06 -0.07 -0.08 -0.09 0.13 -0.02 -0.03 -0.03 0.05 0.06 0.02 -0.01 0.02 -0.06 -0.00 -0.06 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.02 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.25 0.09 0.03 0.13 -0.26 0.06 0.12 0.15 -0.05 -0.12 0.24 -0.04 -0.14 0.01 0.02 0.33 -0.04 -0.07 -0.17 -0.17 -0.20 0.29 0.22 0.25 -0.41 0.01 0.03 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.16 0.00 -0.01 -0.11 -0.07 -0.08 -0.05 -0.02 -0.03 0.06 0.01 0.00 -0.06 0.08 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 -0.01 -0.00 0.00 -0.03 0.04 -0.01 -0.04 -0.05 0.02 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.51 0.05 0.08 0.32 0.29 0.36 -0.20 -0.15 -0.17 0.26 -0.01 -0.02 0.15 -0.23 -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -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 -0.01 -0.01 0.05 -0.01 -0.01 -0.00 0.00 -0.01 -0.07 0.12 -0.02 -0.08 -0.11 0.04 0.00 -0.03 0.01 -0.05 0.06 -0.01 0.16 -0.03 -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 0.03 -0.03 -0.01 0.04 0.01 0.04 -0.01 0.00 0.01 0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.34 0.02 -0.04 0.23 -0.50 0.11 0.25 0.37 -0.13 -0.13 0.22 -0.04 -0.44 0.02 0.05 -0.05 0.01 0.01 0.01 0.01 0.01 -0.03 -0.02 -0.02 -0.01 -0.00 -0.00 0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.11 0.08 -0.03 -0.06 0.02 0.02 -0.07 -0.01 -0.06 -0.02 -0.03 -0.00 -0.02 -0.01 0.01 0.02 -0.01 0.02 -0.02 -0.01 -0.00 -0.00 -0.02 -0.02 0.03 -0.02 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.00 0.01 0.02 -0.01 0.01 0.02 -0.01 0.01 -0.02 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.38 -0.33 -0.21 0.44 0.12 0.52 -0.09 0.01 0.11 0.04 0.02 0.12 -0.07 0.10 0.04 -0.08 -0.04 -0.08 -0.06 -0.11 -0.04 0.02 -0.10 -0.03 -0.08 0.09 0.07 -0.24 0.07 -0.02 -0.02 0.02 -0.00 -0.04 -0.05 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.01 -0.01 -0.01 0.02 0.01 0.01 -0.02 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.04 -0.00 -0.01 0.01 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.04 0.02 -0.01 -0.02 0.01 0.01 -0.04 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 0.04 0.03 -0.00 0.00 -0.01 -0.01 -0.11 0.03 0.02 0.02 0.01 -0.01 0.01 -0.01 0.03 -0.00 0.04 -0.01 -0.02 -0.04 0.01 -0.03 -0.07 0.02 -0.02 0.05 -0.01 0.04 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.14 -0.12 -0.06 0.07 0.03 0.12 -0.01 -0.00 -0.01 0.02 0.02 0.02 0.01 0.05 0.00 -0.03 -0.02 -0.04 -0.03 -0.05 -0.02 0.01 -0.04 -0.01 -0.02 0.03 0.02 0.92 -0.11 0.09 0.04 -0.03 0.00 0.08 0.09 -0.03 0.03 -0.06 0.01 0.03 0.00 -0.01 -0.03 0.00 0.00 0.01 0.01 0.01 -0.03 -0.02 -0.03 0.02 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.04 0.00 0.00 -0.02 0.00 -0.02 -0.00 -0.02 -0.07 -0.01 0.06 -0.08 -0.09 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.04 0.06 0.02 0.09 0.15 -0.10 -0.26 0.20 0.14 -0.24 0.33 0.01 -0.11 0.40 0.17 0.16 0.15 0.32 0.23 0.20 0.43 -0.06 0.03 -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 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.03 0.04 0.05 -0.04 -0.00 -0.03 0.01 -0.03 0.08 -0.01 -0.09 -0.03 -0.06 -0.03 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.09 0.05 -0.00 0.07 -0.03 0.03 -0.22 0.12 0.33 -0.17 -0.14 0.44 -0.43 0.14 0.15 0.26 0.10 0.19 0.09 0.22 0.12 0.05 0.34 0.00 0.02 -0.04 -0.03 0.05 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.01 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 0.09 0.12 0.15 -0.12 -0.04 -0.09 0.01 -0.11 -0.03 -0.02 -0.00 0.06 0.01 -0.01 -0.03 0.00 -0.02 -0.01 0.01 -0.00 -0.02 0.04 0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.42 0.28 0.06 0.34 -0.03 0.25 0.10 -0.06 -0.20 0.19 0.12 -0.02 0.20 0.17 -0.07 -0.25 -0.15 0.10 -0.12 -0.16 -0.20 -0.29 -0.08 0.14 0.03 -0.06 -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 0.01 -0.00 -0.00 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 -0.03 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.06 0.05 0.00 0.21 -0.11 -0.01 0.01 0.01 0.00 -0.11 -0.06 0.03 -0.02 0.11 -0.02 0.01 0.21 -0.05 -0.07 -0.05 0.02 0.10 -0.06 -0.00 0.01 -0.03 -0.03 0.03 0.02 0.02 -0.03 0.01 0.02 -0.05 -0.01 -0.01 0.05 0.01 0.01 0.01 -0.02 -0.03 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 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 0.20 -0.10 0.01 -0.17 0.01 0.01 -0.38 -0.38 0.15 -0.14 0.05 0.01 -0.54 -0.01 0.08 -0.08 0.03 0.04 -0.03 0.02 0.02 0.05 0.08 0.10 -0.17 0.02 0.04 -0.09 0.13 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 0.01 -0.03 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.05 -0.02 -0.00 0.00 0.00 0.00 -0.02 -0.02 0.01 -0.01 0.04 -0.01 -0.01 0.06 -0.01 -0.01 -0.04 0.01 0.04 -0.01 -0.00 -0.05 0.09 0.10 -0.08 -0.05 -0.06 0.11 -0.00 -0.01 0.13 0.02 0.02 -0.13 -0.05 -0.05 -0.05 0.08 0.10 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.03 0.01 0.01 -0.01 -0.01 -0.03 0.00 0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.04 -0.02 0.00 -0.05 0.03 0.00 -0.09 -0.07 0.03 -0.07 0.08 -0.01 -0.17 0.01 0.02 0.22 -0.08 -0.11 -0.03 -0.14 -0.17 -0.12 -0.22 -0.25 0.37 -0.08 -0.12 0.25 -0.37 -0.46 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 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 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.03 0.01 -0.03 0.03 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.03 0.01 -0.01 -0.02 -0.02 -0.15 0.19 -0.36 -0.12 -0.10 0.19 0.14 0.41 -0.00 -0.26 -0.11 -0.03 0.32 -0.19 0.34 0.41 -0.08 -0.22 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.02 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.02 0.02 0.01 0.01 -0.04 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.03 -0.02 0.02 0.01 0.03 -0.25 0.20 0.11 -0.28 -0.18 -0.32 0.16 -0.27 -0.08 -0.14 -0.08 0.51 0.07 -0.40 0.02 -0.06 0.32 0.06 -0.01 0.02 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.04 0.01 0.02 -0.02 -0.00 -0.01 -0.00 -0.01 -0.01 0.02 -0.02 -0.02 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.02 0.01 0.00 -0.01 -0.01 0.26 -0.29 0.37 0.28 0.19 -0.09 -0.25 -0.33 0.04 -0.25 -0.12 0.03 0.27 -0.18 0.28 0.33 -0.02 -0.17 -0.01 0.01 0.00 0.01 0.00 0.00 -0.01 0.02 -0.00 0.01 0.01 -0.00 -0.01 0.02 -0.00 -0.01 0.01 -0.00 -0.03 0.00 0.00 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.05 -0.06 -0.03 0.03 0.01 0.02 -0.00 0.03 -0.03 -0.01 -0.00 0.02 0.02 -0.02 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.00 -0.04 -0.00 -0.02 0.27 -0.20 -0.19 0.27 0.19 0.35 -0.17 0.32 0.10 -0.03 -0.02 0.44 -0.05 -0.34 -0.11 -0.16 0.31 0.12 0.00 0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 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 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.02 -0.07 0.02 -0.00 -0.00 -0.00 -0.05 0.06 -0.01 0.06 0.00 -0.01 0.09 0.02 -0.02 -0.05 0.10 -0.02 -0.04 -0.06 0.02 0.11 0.03 0.03 -0.09 0.03 0.04 -0.03 -0.07 -0.08 -0.04 -0.07 -0.08 -0.10 0.03 0.04 0.07 0.02 0.02 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.05 -0.06 0.06 0.05 0.04 -0.01 -0.05 -0.05 0.01 -0.03 -0.02 0.01 0.04 -0.03 0.04 0.04 0.00 -0.02 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.11 -0.28 0.06 -0.08 -0.20 0.06 0.14 -0.31 0.05 0.12 -0.08 0.01 0.35 0.00 -0.00 0.27 0.18 0.21 0.26 0.18 0.21 0.38 0.00 -0.01 0.09 0.02 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.01 -0.06 -0.08 0.03 -0.00 -0.00 -0.00 -0.05 0.07 -0.01 0.09 0.01 -0.02 0.12 0.02 -0.02 -0.08 0.15 -0.02 -0.04 -0.08 0.03 -0.09 -0.01 -0.02 0.05 -0.03 -0.04 0.03 0.05 0.06 0.05 0.05 0.06 0.08 -0.03 -0.04 -0.07 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 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 -0.02 0.03 -0.01 0.15 -0.34 0.07 -0.10 -0.29 0.08 0.20 -0.45 0.08 0.16 -0.12 0.01 -0.22 -0.01 -0.01 -0.21 -0.15 -0.17 -0.20 -0.16 -0.18 -0.28 -0.01 -0.00 -0.04 -0.07 -0.08 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.01 -0.01 -0.26 0.01 0.04 -0.00 -0.01 0.00 0.14 -0.08 -0.00 0.17 0.08 -0.05 -0.18 -0.03 0.03 -0.17 0.08 0.01 0.30 -0.04 -0.03 -0.11 0.04 0.05 0.20 -0.01 -0.02 0.12 0.02 0.02 -0.13 -0.02 -0.02 -0.21 0.01 0.03 0.12 -0.04 -0.06 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 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 -0.01 0.01 0.22 -0.06 -0.07 -0.28 0.08 -0.05 -0.20 0.05 -0.38 0.02 0.04 -0.24 0.02 0.04 0.01 -0.09 -0.11 0.01 0.11 0.13 0.27 -0.01 -0.03 0.03 0.11 0.13 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.07 -0.02 0.00 0.00 0.00 0.03 -0.09 0.02 -0.04 -0.09 0.03 0.02 0.06 -0.02 -0.01 0.08 -0.02 -0.01 -0.03 0.01 0.02 -0.18 -0.21 0.02 0.09 0.11 0.13 0.17 0.20 -0.12 -0.18 -0.21 -0.03 -0.09 -0.11 -0.04 0.19 0.23 -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 -0.00 -0.01 -0.02 0.00 -0.09 0.15 -0.03 0.11 0.12 -0.04 0.06 -0.07 0.01 0.02 -0.04 0.01 0.04 0.10 0.12 -0.29 -0.18 -0.21 0.30 0.16 0.18 -0.00 -0.11 -0.13 0.22 -0.19 -0.24 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.02 -0.01 -0.09 -0.18 0.06 -0.00 -0.00 -0.00 -0.02 0.24 -0.06 0.15 0.27 -0.09 -0.13 -0.25 0.07 0.00 -0.22 0.05 0.09 0.11 -0.04 0.09 -0.09 -0.10 -0.12 0.04 0.05 -0.04 0.04 0.05 0.03 -0.04 -0.05 0.11 -0.03 -0.05 -0.07 0.08 0.10 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 0.06 -0.00 0.23 -0.27 0.04 -0.28 -0.33 0.12 -0.21 0.18 -0.01 -0.09 0.15 -0.03 0.15 0.03 0.03 -0.07 0.02 0.03 0.10 0.00 -0.00 -0.15 -0.02 -0.02 0.04 -0.11 -0.13 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.02 0.01 -0.00 0.14 -0.10 0.00 0.00 0.00 -0.00 -0.13 0.18 -0.03 -0.05 0.07 -0.01 0.13 -0.10 0.01 0.12 -0.15 0.02 -0.20 0.07 0.01 -0.18 0.02 0.03 0.26 -0.01 -0.02 0.17 0.05 0.05 -0.16 -0.04 -0.04 -0.24 0.00 0.02 0.12 -0.03 -0.04 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.01 0.00 0.12 -0.33 0.07 -0.09 0.03 0.00 -0.04 0.20 -0.04 0.27 0.03 -0.04 -0.33 0.04 0.05 -0.05 -0.15 -0.17 0.02 0.12 0.14 0.28 -0.02 -0.05 0.06 0.09 0.11 0.00 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 0.01 0.02 0.02 0.09 -0.06 -0.05 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.30 0.36 0.40 0.00 -0.00 0.01 0.19 -0.35 -0.39 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 0.05 0.02 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 -0.01 0.02 0.01 -0.01 -0.02 0.02 -0.01 -0.02 -0.01 0.01 0.51 -0.14 -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 0.01 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 -0.03 0.01 -0.04 -0.18 0.20 -0.43 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.01 0.00 -0.01 -0.02 -0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.34 -0.26 0.66 -0.00 0.01 0.01 0.02 -0.01 0.02 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.20 -0.03 0.22 0.00 0.00 -0.03 0.01 0.00 0.00 -0.01 0.02 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.03 0.00 0.01 -0.01 -0.01 -0.10 -0.08 0.02 -0.00 0.02 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.45 0.34 0.18 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.07 0.06 0.03 -0.00 0.01 0.00 0.61 -0.46 -0.24 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.04 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.03 -0.03 -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 -0.00 0.00 0.06 0.07 0.02 0.10 -0.16 0.01 -0.09 0.02 -0.20 -0.25 0.43 0.00 0.32 0.02 -0.32 0.28 -0.10 0.60 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.02 -0.04 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.18 -0.23 -0.06 -0.32 0.51 -0.03 0.26 -0.08 0.61 -0.08 0.14 0.00 0.11 0.01 -0.11 0.09 -0.03 0.19 -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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -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 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.08 -0.06 0.99 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.05 -0.05 0.04 -0.02 0.03 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.04 0.00 -0.33 0.54 -0.01 -0.22 0.05 -0.53 0.17 -0.30 -0.01 -0.10 0.00 0.09 0.14 -0.05 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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.03 -0.03 -0.03 0.05 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.00 0.19 -0.31 0.00 0.13 -0.03 0.31 0.28 -0.51 -0.02 -0.19 -0.00 0.16 0.25 -0.08 0.53 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.03 0.06 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.02 0.02 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.24 -0.46 0.01 0.60 0.04 -0.57 -0.09 0.03 -0.14 -0.02 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 -0.06 0.02 0.00 0.00 -0.00 0.02 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.51 0.75 -0.19 -0.04 -0.03 0.04 -0.20 -0.26 -0.06 0.05 -0.07 0.00 -0.03 0.01 -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.01 0.00 0.00 -0.00 -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.19 0.28 -0.07 -0.02 -0.02 0.02 0.55 0.68 0.17 -0.12 0.17 -0.01 0.07 -0.03 0.16 -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 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 0.01 0.01 -0.02 0.01 0.01 -0.01 -0.04 -0.05 0.03 0.01 0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.07 0.08 0.22 -0.10 -0.14 0.23 -0.11 -0.14 0.10 0.51 0.61 -0.39 -0.12 -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 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.04 -0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.02 -0.01 -0.06 -0.05 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.02 -0.00 0.00 -0.00 0.68 0.43 0.58 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.02 -0.01 -0.01 -0.00 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 0.01 -0.01 -0.01 -0.05 0.02 0.03 0.00 0.02 0.03 0.02 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.02 0.01 -0.00 -0.00 -0.01 0.00 0.04 0.21 0.25 -0.14 0.07 0.09 0.63 -0.29 -0.39 -0.05 -0.26 -0.31 -0.23 -0.07 -0.06 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.02 -0.00 -0.00 0.00 -0.00 -0.06 -0.03 0.02 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 -0.38 0.26 0.00 0.74 0.32 -0.19 -0.02 -0.30 0.08 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.05 0.05 -0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.07 0.02 -0.56 -0.54 0.61 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.03 -0.00 0.02 0.00 -0.00 0.01 -0.07 -0.04 -0.05 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.04 0.02 0.03 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.05 -0.02 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.02 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.06 0.26 0.32 0.50 -0.23 -0.31 0.13 -0.06 -0.08 -0.01 -0.00 -0.00 0.58 0.17 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 -0.06 0.04 0.00 -0.00 -0.00 0.00 -0.02 -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 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.67 -0.48 -0.00 0.24 0.11 -0.06 -0.03 -0.48 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 0.04 -0.05 0.02 0.03 -0.01 0.00 0.00 0.01 0.02 0.02 0.03 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 -0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.08 -0.36 -0.44 0.52 -0.23 -0.32 0.09 -0.04 -0.05 -0.04 -0.22 -0.27 -0.29 -0.08 -0.08 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.03 0.04 0.02 -0.01 -0.01 -0.04 0.02 0.02 -0.00 -0.02 -0.02 -0.04 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.01 -0.00 0.02 0.01 -0.00 0.00 0.03 -0.01 -0.09 -0.38 -0.46 -0.19 0.08 0.11 0.38 -0.18 -0.24 0.03 0.16 0.19 0.47 0.14 0.14 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.02 -0.00 0.00 0.00 -0.00 -0.04 -0.02 0.01 -0.00 -0.07 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.26 -0.19 -0.00 0.43 0.18 -0.11 0.05 0.78 -0.21 0.00 0.02 0.02 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.08 -0.03 0.02 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 0.89 0.38 -0.23 -0.01 0.00 0.00 -0.02 -0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.03 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 17 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 17 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 34.96885 15.99491 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 415.07420 0.99943 0.03264 0.00874 -0.03281 0.99927 0.01943 -0.0081 -0.0197 0.99977 asymmetric 1 0.00923 0.00705 0.00471 0.19235 0.14680 0.09821 940722.2 18.46 22.96 40.98 45.70 57.06 79.09 84.37 98.20 102.58 111.40 145.25 167.25 197.22 221.43 260.00 280.31 290.02 323.80 335.03 358.15 376.17 383.38 402.02 428.50 464.57 472.07 491.84 509.35 567.57 587.45 605.98 647.24 657.20 676.83 711.32 718.35 725.51 751.40 781.41 838.09 847.69 900.48 918.47 923.96 961.41 973.59 1010.70 1015.09 1038.57 1100.88 1109.29 1130.90 1174.05 1186.22 1203.47 1210.40 1243.09 1291.09 1303.34 1313.85 1322.60 1329.28 1355.45 1390.97 1411.87 1413.49 1430.76 1437.50 1440.77 1458.95 1462.27 1465.08 1481.17 1499.86 1504.92 1538.77 1587.10 1591.40 1601.98 1645.27 1648.51 1687.24 1710.29 1718.27 1725.54 1761.26 1771.06 1808.21 1827.36 1862.48 1876.95 1882.88 1888.64 1914.08 1943.92 1947.97 1963.42 1979.15 2039.20 2060.24 2086.25 2113.42 2139.31 2144.15 2150.16 2177.81 2181.52 2184.55 2191.90 2340.72 2342.53 2361.87 2366.91 2393.95 2569.62 3395.88 4345.33 4355.59 4380.47 4429.44 4435.56 4458.02 4513.13 4521.14 4554.67 4564.55 4568.23 4569.33 4571.96 4588.72 4592.34 4595.58 4603.34 4605.14 4614.47 0.358302 0.384721 0.385665 0.297898 -2050.587200 -2050.560781 -2050.559837 -2050.647604 241.416 99.165 184.722 0.000 0.000 0.000 0.889 2.981 43.961 0.889 2.981 36.004 239.639 93.203 104.757 1 0.593 1.987 7.516 2 0.593 1.986 7.082 3 0.593 1.984 5.933 4 0.594 1.983 5.716 5 0.594 1.981 5.276 6 0.596 1.976 4.630 7 0.596 1.974 4.502 8 0.598 1.969 4.203 9 0.598 1.968 4.117 10 0.599 1.964 3.955 11 0.604 1.948 3.436 12 0.608 1.936 3.162 13 0.614 1.916 2.844 14 0.619 1.898 2.623 15 0.630 1.866 2.321 16 0.635 1.847 2.181 17 0.638 1.838 2.119 18 0.650 1.803 1.918 19 0.654 1.791 1.857 20 0.662 1.765 1.738 21 0.669 1.743 1.652 22 0.672 1.735 1.619 23 0.680 1.712 1.537 24 0.691 1.678 1.429 25 0.708 1.630 1.295 26 0.711 1.619 1.269 27 0.721 1.592 1.204 28 0.730 1.567 1.148 29 0.761 1.482 0.983 30 0.773 1.452 0.933 31 0.784 1.424 0.888 32 0.809 1.361 0.796 33 0.815 1.346 0.776 34 0.827 1.316 0.736 35 0.850 1.262 0.672 36 0.855 1.252 0.660 37 0.860 1.241 0.648 38 0.877 1.201 0.605 39 0.898 1.155 0.559 40 0.939 1.069 0.481 41 0.946 1.055 0.469 0.607952e+28 27.783869 63.974723 0.110979e+13 12.045242 27.735195 0.100000e+01 0.000000 0.000000 0.332386e+09 8.521642 19.621807 0.164810e+08 7.216985 16.617721 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.2594 -1.4934 2.5555 4.4028 -185.6599 -183.1191 -180.0616 20.6248 2.4581 10.3819 -2.7130 -0.1723 2.8853 20.6248 2.4581 10.3819 97.8277 4.4098 -3.9231 61.8070 -99.7057 1.5174 15.4108 -1.2019 13.7455 14.8516 -8011.0088 -5969.4023 -1422.9211 468.2152 9.3068 230.8692 150.9843 -13.5707 58.5334 -2387.8974 -1557.1681 -1283.8097 -16.0471 -100.8538 19.1031 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -2050.9455022 3.054E-9 2.458E-6 0.3583022 0.3847212 -2050.5607809 -2050.5598368 -2050.6476039 -2.5014049,1.8227625,0.6786424,-16.3552712,-0.9247579,5.3873472 C01 [X(C22H19Cl2N1O3)] 1.4379176 0.475295 -0.8408347 -0.4221032 0.26748 0.1562296 0.1569125 -0.2195887 -0.1601845 0.1239154 -0.2138269 -0.1394099 -0.7895807 -0.165541 -0.2238196 -0.1021842 -0.1127399 -0.0774503 -0.1648664 -0.0975486 -0.1055136 -1.1147518 0.5625653 -0.2384184 0.6182174 -1.041629 0.4052738 -0.2107411 0.3680348 -0.5812557 -0.8228061 -0.0781613 0.3861565 0.1097518 -0.5641994 0.281285 0.2837102 0.471953 -0.9269692 -2.2670587 -0.3076136 0.0347248 -0.2037475 -0.5301121 -0.0284535 -0.2207306 -0.0881755 -0.1679004 -0.2806489 0.0116816 0.0364218 -0.0196105 -0.270539 0.0242056 0.0046903 0.0125862 -0.2489637 0.2767705 -0.0417756 -0.058127 0.1812157 0.2031751 -0.053817 -0.1997843 0.0440325 0.234804 0.0023889 0.031192 0.0386868 -0.0894361 -0.0077198 0.0673873 -0.1762049 0.0737748 0.1863616 -0.5980674 0.023145 0.2244267 0.1370081 0.0225831 -0.0269074 0.4197853 -0.0269117 -0.2808329 -0.000893 0.0907588 -0.0111729 0.048331 0.0050276 -0.011136 0.0041614 0.0106414 0.0680256 0.028022 0.0237809 -0.0575528 -0.0064532 0.0465565 0.0026839 0.0079473 -0.0117147 0.0468149 -0.0558549 0.1121996 0.0525623 -0.0717628 -0.2549892 -0.0708197 -0.0177917 -0.0445214 -0.2080395 1.660124 -0.3352376 -0.4122009 -0.7196237 0.9246877 -0.597505 -0.0690246 -0.9134272 1.2361836 1.2855188 -0.16254 0.069938 -0.0440529 0.3690195 0.3646159 0.0481021 0.4218667 0.2891754 0.9490458 -0.2405145 0.1211282 -0.1302826 0.7583043 -0.0706386 -0.0907735 0.1876449 0.2533803 0.0890348 -0.0721213 0.0589929 0.0905539 0.1808725 -0.0605595 0.0431938 -0.1609941 0.0009291 -0.008008 0.0308812 -0.0198141 -0.0255515 -0.015355 -0.0128523 -0.0053773 -0.042338 0.0526053 -0.222397 0.0199709 -0.0146046 -0.376258 -0.2516008 -0.0012858 0.0629817 0.0947479 -0.1019815 -0.1616793 0.0564429 -0.004789 0.0694771 -0.2091994 0.058634 -0.0151719 0.0355219 -0.1311404 1.3989609 0.4869267 0.0166878 0.8559334 0.4438962 -0.0374772 0.2317417 -0.0064618 0.0794539 0.1161667 0.0364672 0.0545802 -0.0213955 0.1093147 -0.1001531 0.0873955 -0.0560222 -0.0730444 -0.3370167 -0.1367655 0.0424742 0.0451718 0.0058947 -0.0282064 -0.0227335 -0.0540498 -0.1099684 1.6185905 -0.0569522 -0.0596435 -0.5271825 0.0807963 0.0602865 -0.0139437 0.0830793 0.1117131 -0.3254764 -0.028319 0.0121373 -0.0900921 -0.0278244 0.0750291 -0.0791636 0.1299775 -0.0370103 -0.2613853 -0.0432913 0.0097176 0.2180552 -0.1221553 0.0359158 0.1759338 0.0107453 -0.1038909 0.1022513 -0.0062929 0.0313373 -0.0178233 -0.0335169 0.0982562 0.0798797 0.1140875 0.0135901 0.1230107 -0.0022427 0.0508413 -0.0663926 -0.0295291 0.1189614 0.0146725 0.1118422 -0.0168871 -0.0684842 -0.0705225 -0.0109024 -0.0578121 -0.1241138 0.0078105 -0.0036598 0.0242953 -0.1561384 -0.0115323 -0.0173072 -0.0560513 -0.0097392 -0.0106221 -0.0059208 -0.0416538 -0.0183488 0.0255999 -0.0319402 0.0572312 -0.0118128 0.0148443 0.0604292 0.0338759 -0.0023469 0.0321584 0.0064901 0.0102113 0.0492741 -0.0359469 0.0739016 -0.0273011 0.0207438 -0.0336735 0.0109951 0.0730002 0.0046395 -0.1063389 -0.052004 -0.0975846 -0.0779067 -0.031723 -0.0062356 0.0177484 0.0270138 -0.0052032 -0.0008273 0.1061265 -0.0060387 0.0782047 0.0033621 0.0606273 -0.0369644 -0.1195855 0.0122301 -0.1154483 -0.0013642 -0.0381927 -0.1160085 -0.0385152 0.0027098 -0.016584 0.0677407 -0.0231621 0.0203371 -0.0714471 -0.0007715 0.0779538 -0.0169038 -0.1076392 -0.006919 -0.0684542 -0.0233758 0.0523031 0.1012085 0.0071521 0.0304553 0.0255069 0.1077161 -0.0194791 -0.0743589 -0.030173 -0.0050158 -0.0000924 0.0466507 0.1055371 -0.0331998 0.0176386 -0.070075 0.0685764 -0.0103811 0.0134757 -0.0516476 -0.0531029 -0.0127819 0.0229777 0.0401762 -0.0664689 0.0641524 0.05855 0.0084458 -0.0334977 0.0335422 0.110531 0.0070824 -0.0557153 0.0005229 0.0859108 0.0172949 -0.0637945 -0.0162938 -0.0630595 0.0634145 0.0120979 -0.0303951 -0.001869 0.1227305 -0.0403412 0.0533939 -0.0617046 0.0399314 0.0426843 0.0394859 -0.0743836 0.0417157 0.0980303 0.0981918 -0.0213846 -0.0112098 -0.0111422 -0.0240228 0.0529654 -0.014015 0.0547883 0.1152029 0.0796585 0.0452899 0.0193724 0.0352988 0.0658288 -0.0749731 0.0168171 -0.0936474 0.0490071 0.0190384 -0.01439 -0.056391 -0.0340328 0.0854547 -0.059625 -0.098718 -0.0662573 0.0814175 -0.0208639 -0.0407432 -0.0609363 -0.0180431 0.0952733 -0.0521462 -0.0804079 -0.0716048 0.046014 0.0408808 0.0266561 0.0049453 0.0438016 0.0229971 -0.116031 0.0196943 -0.1071158 0.0447752 -0.0573961 0.0532416 0.0027487 0.0756175 0.0945629 -0.0519588 -0.018339 -0.0614347 0.1026463 355.4255469|9.3140894|291.3725266|21.5752575|13.7141914|220.4723982 -0.000000024 -0.000000773 0.000000500 0.000001038 -0.000000233 0.000001965 -0.000002665 0.000001543 -0.000001643 -0.000000394 0.000000509 -0.000000442 -0.000001604 -0.000005806 -0.000003099 0.000000406 0.000000579 -0.000000161 0.000006279 -0.000006010 0.000003820 -0.000000508 0.000009503 -0.000005974 -0.000006891 0.000000315 0.000002565 -0.000001821 0.000002619 -0.000000920 -0.000000955 -0.000000191 -0.000000723 0.000000348 -0.000003175 0.000003915 0.000006149 -0.000003626 0.000002430 -0.000002133 -0.000001227 -0.000004961 -0.000001842 -0.000000023 -0.000003597 -0.000007711 -0.000000368 0.000000030 0.000001145 0.000000239 0.000000622 0.000001846 0.000004829 -0.000000508 0.000003506 -0.000003390 0.000002142 0.000009230 -0.000000094 0.000004068 0.000003450 0.000005315 -0.000000579 -0.000007105 -0.000001705 -0.000001498 -0.000002756 0.000003815 0.000003119 0.000001413 -0.000001217 -0.000000315 0.000001694 -0.000000460 -0.000000951 -0.000000346 0.000000237 -0.000001139 -0.000002088 -0.000000509 0.000001051 0.000000145 -0.000000137 0.000002233 0.000000170 -0.000000659 -0.000000268 0.000000812 -0.000000132 -0.000000425 0.000000606 -0.000001230 -0.000000156 0.000000393 0.000000006 -0.000000532 0.000000237 0.000000159 0.000000229 0.000000004 0.000000599 -0.000000774 -0.000000755 -0.000000208 -0.000000324 -0.000000090 0.000000406 0.000000193 -0.000000052 0.000000142 -0.000000408 -0.000000163 0.000000357 -0.000000180 0.000000049 -0.000000371 0.000000346 0.000000184 0.000000245 -0.000000569 0.000000049 -0.000000014 0.000000030 0.000000293 0.000000303 0.000000515 -0.000000230 -0.000000178 0.000000153 -0.000000208 0.000000216 0.000000264 0.000000115 -0.000000588 0.000000293 0.000000479 0.000000162 0.000000043 0.000000300 0.000000223 -0.000000378 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.5988,.2056,1.9899;4.4578,-.335,1.6247;-1.6686,-1.4645,.1316;-1.7075,-2.7708,1.9778;-.7607,3.4214,-.3667;-4.8542,-2.4469,-.4648;.6933,-3.1864,-.8118;1.1399,-1.876,-.2342;.2354,-2.7935,.6005;-.2798,-3.176,-1.9765;1.6775,-4.3421,-.8611;2.5273,-1.6045,.2122;-1.1289,-2.3823,.9944;2.8221,-.7044,1.1472;-2.9515,-.908,.4777;-3.0044,.5119,-.0681;-4.0173,-1.7745,-.0478;-1.8506,1.291,.0331;-4.1687,1.0477,-.6166;-1.8607,2.5971,-.4494;-4.1717,2.3696,-1.0634;-3.0219,3.1473,-.9909;.515,2.9082,-.5331;1.5187,3.4552,.26;.811,1.9415,-1.4952;2.8324,3.0223,.0968;2.1278,1.5128,-1.6426;3.1421,2.0476,-.8495;.6202,-1.0015,-.614;.7135,-3.3393,1.4041;-.9447,-2.315,-1.9536;-.8938,-4.0814,-1.9724;.2797,-3.1546,-2.9168;1.1398,-5.2938,-.8842;2.3484,-4.3576,.0006;2.2892,-4.2807,-1.7671;3.3526,-2.1296,-.2552;-3.0423,-.9047,1.5688;-.9444,.8795,.4561;-5.0625,.4429,-.7079;-5.0754,2.7885,-1.4903;-3.0004,4.168,-1.3519;1.2551,4.2044,.9962;.0219,1.5335,-2.1144;3.6129,3.4374,.7238;2.3603,.7572,-2.3846;4.162,1.7006,-.9607; Gaussian 16 10-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H19Cl2NO3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.5988,.2056,1.9899;4.4578,-.335,1.6247;-1.6686,-1.4645,.1316;-1.7075,-2.7708,1.9778;-.7607,3.4214,-.3667;-4.8542,-2.4469,-.4648;.6933,-3.1864,-.8118;1.1399,-1.876,-.2342;.2354,-2.7935,.6005;-.2798,-3.176,-1.9765;1.6775,-4.3421,-.8611;2.5273,-1.6045,.2122;-1.1289,-2.3823,.9944;2.8221,-.7044,1.1472;-2.9515,-.908,.4777;-3.0044,.5119,-.0681;-4.0173,-1.7745,-.0478;-1.8506,1.291,.0331;-4.1687,1.0477,-.6166;-1.8607,2.5971,-.4494;-4.1717,2.3696,-1.0634;-3.0219,3.1473,-.9909;.515,2.9082,-.5331;1.5187,3.4552,.26;.811,1.9415,-1.4952;2.8324,3.0223,.0968;2.1278,1.5128,-1.6426;3.1421,2.0476,-.8495;.6202,-1.0015,-.614;.7135,-3.3393,1.4041;-.9447,-2.315,-1.9536;-.8938,-4.0814,-1.9724;.2797,-3.1546,-2.9168;1.1398,-5.2938,-.8842;2.3484,-4.3576,.0006;2.2892,-4.2807,-1.7671;3.3527,-2.1296,-.2552;-3.0423,-.9047,1.5688;-.9444,.8795,.4561;-5.0625,.4429,-.7079;-5.0754,2.7885,-1.4903;-3.0004,4.168,-1.3519;1.2551,4.2044,.9962;.0219,1.5335,-2.1144;3.6129,3.4374,.7238;2.3603,.7572,-2.3846;4.162,1.7006,-.9607; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Cypermethrin-theta CONF4 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 774 A 746 A 746 1194 774 108 108 2975.6271452201 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0632212146 0.000000 2.932514 0.000000 4.113146 6.406127 0.000000 4.448668 6.638495 2.261937 0.000000 4.632770 6.731239 4.994460 6.688575 0.000000 7.396088 9.774482 3.386577 3.996607 7.155660 0.000000 4.491600 5.314036 3.071417 3.703788 6.780545 5.607308 0.000000 3.080531 4.103537 2.861943 3.714987 5.629581 6.025623 1.500108 0.000000 3.575355 4.992193 2.368844 2.381662 6.368103 5.211462 1.535772 1.535115 0.000000 5.540422 6.594366 3.049974 4.223595 6.808025 4.872561 1.517773 2.596413 2.655719 0.000000 5.368049 5.474232 4.523603 4.688998 8.152451 6.812644 1.518822 2.600802 2.571854 2.536710 0.000000 2.701550 2.708097 4.199016 4.734050 6.033729 7.460201 2.629571 1.482535 2.610977 3.891027 3.060897 0.000000 3.889525 5.983370 1.370464 1.205273 5.972593 4.001422 2.688728 2.629308 1.478373 3.190188 3.893570 3.819003 0.000000 1.741993 1.743647 4.666385 5.047471 5.670162 8.034910 3.811748 2.471924 3.369519 5.048547 4.310038 1.330848 4.295217 0.000000 4.922593 7.519471 1.440577 2.695925 4.925074 2.622364 4.487584 4.264168 3.704948 4.278428 5.917224 5.529275 2.400540 5.815819 0.000000 5.051560 7.698531 2.393749 4.079652 3.686291 3.511901 5.282316 4.785815 4.676376 4.966450 6.790440 5.929317 3.608695 6.074831 1.522050 0.000000 6.293878 8.757697 2.375838 3.229663 6.140379 1.151741 4.976633 5.161537 4.420890 4.433185 6.299619 6.551962 3.130252 7.024934 1.470641 2.500733 0.000000 4.111621 6.706232 2.763241 4.505618 2.426202 4.820933 5.218489 4.363969 4.621300 5.143980 6.706695 5.251862 3.865016 5.201609 2.499026 1.395877 3.754746 0.000000 6.384942 9.019603 3.622357 5.231602 4.160739 3.564404 6.450189 6.072509 5.969299 5.900230 7.955406 7.249679 4.858095 7.419715 2.550258 1.394179 2.882883 2.419732 0.000000 4.861809 7.267891 4.107374 5.893120 1.377066 5.865405 6.332658 5.390502 5.878239 6.177356 7.800045 6.111043 5.235880 5.947835 3.786125 2.408632 4.891066 1.392379 2.784913 0.000000 6.877836 9.434527 4.732228 6.461064 3.636859 4.901311 7.389267 6.850240 6.989214 6.836304 8.905178 7.892886 6.006202 7.952958 3.821853 2.409274 4.269510 2.784491 1.395392 2.402035 0.000000 6.236187 8.655316 4.935597 6.750210 2.361733 5.910099 7.345121 6.567068 6.959582 6.962401 8.842690 7.404099 6.172688 7.318422 4.313611 2.792408 5.109226 2.422092 2.421525 1.394461 1.390026 0.000000 3.852867 5.542605 4.932606 6.595149 1.385134 7.583566 6.103602 4.834071 5.820019 6.303422 7.350289 4.996922 5.746819 4.604030 5.253760 4.283097 6.534902 2.921013 5.040453 2.397440 4.747308 3.574431 0.000000 3.682266 4.986604 5.863333 7.219610 2.364259 8.716316 6.777971 5.367395 6.388159 7.225626 7.879124 5.159430 6.451826 4.448389 6.250414 5.406410 7.621777 4.010939 6.237932 3.558074 5.942318 4.719841 1.391277 0.000000 3.972431 5.311860 4.516193 6.372682 2.436014 7.239794 5.174612 4.033802 5.209952 5.254591 6.374733 4.293605 5.353264 4.245902 5.115533 4.317154 6.262286 3.137432 5.135063 2.943038 5.019723 4.049638 1.395635 2.423413 0.000000 3.611072 4.030861 6.355452 7.596694 3.644842 9.450498 6.629439 5.193000 6.389165 7.239043 7.515749 4.638260 6.760780 3.871941 7.003305 6.355932 8.363531 4.993242 7.309209 4.743875 7.129545 5.955841 2.404209 1.392799 2.790829 0.000000 3.896661 4.418045 5.140504 6.794590 3.689773 8.112616 4.983041 3.800454 5.211217 5.281384 5.924006 3.649316 5.721212 3.630600 6.012918 5.460774 7.149242 4.322639 6.396502 4.302006 6.383857 5.442026 2.404007 2.786380 1.392622 2.408464 0.000000 3.719825 3.678247 6.036571 7.397943 4.165671 9.180923 5.778641 4.447662 5.829850 6.345515 6.555427 3.852619 6.423852 3.415073 6.901382 6.383446 8.155238 5.126303 7.382593 5.048759 7.324068 6.262958 2.782537 2.418240 2.421205 1.393371 1.394238 0.000000 3.032277 4.492607 2.451308 3.907165 4.640102 5.663962 2.195046 1.085805 2.198676 2.719369 3.512657 2.164065 2.748278 2.835164 3.735984 3.965575 4.735441 3.432114 5.208951 4.373963 5.876154 5.533515 3.911987 4.629623 3.078059 4.646529 3.106883 3.963892 0.000000 3.700393 4.805734 3.287634 2.552120 7.142590 5.940392 2.221259 2.237695 1.082708 3.527311 2.658293 2.778553 2.116124 3.384503 4.494622 5.551688 5.190072 5.467534 6.867682 6.730688 7.908583 7.859107 6.544008 6.937057 6.025198 6.831498 5.901369 6.324224 3.089787 0.000000 5.326659 6.775860 2.365463 4.030525 5.954701 4.185427 2.178580 2.737631 2.853963 1.088136 3.489821 4.153358 2.954516 5.137826 3.452216 3.973422 3.655805 4.215550 4.846563 5.218205 5.757734 5.922666 5.606274 6.653068 4.627139 6.852544 4.918214 6.078896 2.443088 3.882401 0.000000 6.347483 7.457544 3.446097 4.240705 7.673891 4.541945 2.160305 3.467162 3.090927 1.093939 2.813254 4.755164 3.426977 5.911293 4.506403 5.401749 4.333871 5.813828 6.234657 6.917829 7.292940 7.599113 7.274004 8.222173 6.277708 8.284254 6.366613 7.423860 3.690962 3.812472 1.767264 0.000000 6.091494 6.784738 3.993187 5.296538 7.129532 5.733257 2.145526 3.093768 3.536105 1.094403 2.754953 4.152758 4.228290 5.383596 5.197188 5.687126 5.347945 5.744938 6.537507 6.614483 7.332662 7.370493 6.518854 7.437538 5.317312 7.331608 5.179161 6.287275 3.170939 4.346587 1.769772 1.768601 0.000000 6.222010 6.472543 4.856176 4.760573 8.935015 6.648940 2.155361 3.479073 3.045281 2.773671 1.093285 4.091238 4.141569 5.293269 6.150481 7.179504 6.299251 7.289948 8.274420 8.453225 9.325874 9.411852 8.233244 8.831600 7.268485 8.543092 6.919599 7.609587 4.332027 3.039420 3.789721 2.605660 3.073636 0.000000 5.034041 4.823841 4.952115 4.783002 8.385398 7.466207 2.184240 2.770231 2.696471 3.494612 1.092191 2.767065 4.120775 3.858104 6.341615 7.236586 6.869971 7.038427 8.489450 8.141620 9.428649 9.281533 7.512557 7.861023 6.654329 7.396410 6.100065 6.509934 3.824616 2.383221 4.339993 3.805325 3.773293 1.766311 0.000000 5.892229 5.637069 5.215445 5.681340 8.401598 7.489141 2.158055 3.074707 3.469245 2.804304 1.094856 3.337187 4.786805 4.644042 6.624171 7.340136 7.000680 7.171024 8.451086 8.140157 9.298734 9.164414 7.506782 8.034151 6.401215 7.556695 5.797135 6.451123 3.855989 3.664150 3.789110 3.195836 2.574502 1.768313 1.770354 0.000000 3.683661 2.824248 5.079855 5.567997 6.909845 8.215641 2.915253 2.227346 3.300011 4.153602 2.840525 1.084176 4.659374 2.068676 6.463102 6.886493 7.381397 6.233582 8.172928 7.039707 8.804100 8.307931 5.788685 5.900722 4.956949 5.190039 4.085607 4.224469 2.977826 3.343976 4.624500 4.978990 4.192553 3.912076 2.457269 2.836208 0.000000 4.790587 7.521956 2.065421 2.330496 5.260000 3.130030 4.982770 4.656693 3.904924 5.035834 6.324328 5.774993 2.484820 5.882910 1.094950 2.165139 2.078591 2.932533 3.139610 4.210951 4.350370 4.792913 5.622411 6.443989 5.686641 7.218116 6.548891 7.267166 4.264746 4.478840 4.335448 5.219943 6.018222 6.539942 6.590976 7.137998 6.761861 0.000000 3.045414 5.659056 2.474618 4.027705 2.678126 5.215274 4.562985 3.523223 3.860472 4.775581 5.989546 4.275772 3.311057 4.143987 2.687714 2.157157 4.091419 1.081415 3.402247 2.146994 3.865877 3.398974 2.687834 3.569308 2.831482 4.357245 3.774166 4.446233 2.670425 4.630907 4.001367 5.523615 5.398971 6.651993 6.202969 6.482800 5.293870 2.970293 0.000000 7.190784 9.832773 3.982647 5.366273 5.243439 2.907461 6.805293 6.638618 6.344617 6.130277 8.267280 7.914777 5.133525 8.180725 2.772511 2.156399 2.538677 3.403640 1.083030 3.867708 2.152250 3.399730 6.100606 7.302299 6.112637 8.344535 7.329327 8.361296 5.864171 7.219947 5.110174 6.280653 6.808895 8.450384 8.858214 8.802426 8.811212 3.328802 4.301654 0.000000 7.957886 10.504371 5.685451 7.367230 4.503290 5.339433 8.332903 7.871744 7.983379 7.668713 9.840883 8.944129 6.963177 9.029198 4.695492 3.390389 4.901098 3.868139 2.148410 3.384470 1.083648 2.143590 5.673029 6.854961 5.947034 8.068911 7.316851 8.275694 6.897225 8.912815 6.581958 8.056882 8.126037 10.213637 10.411599 10.212140 9.835872 5.208809 4.949524 2.472668 0.000000 6.929731 9.206657 5.974857 7.804189 2.558185 6.926735 8.247545 7.410831 7.921123 7.856582 9.723456 8.143907 7.205155 7.992932 5.395836 3.874953 6.168234 3.393721 3.411995 2.140409 2.165462 1.082815 3.823051 4.850676 4.416412 6.118298 5.782120 6.517620 6.354284 8.817475 6.827612 8.536676 8.174864 10.338491 10.155011 9.976635 9.012393 5.853624 4.279063 4.306176 2.495522 0.000000 4.134809 5.590938 6.436790 7.641677 2.556199 9.148701 7.629477 6.204698 7.082868 8.103337 8.756256 5.998035 7.004942 5.155086 6.640900 5.736834 8.039625 4.365914 6.479557 3.792299 6.087635 4.833134 2.136992 1.082962 3.394883 2.166627 3.869088 3.408730 5.486135 7.574162 7.486198 9.060105 8.391588 9.683235 8.688796 8.983507 6.788627 6.700711 4.023087 7.547575 6.947174 4.860532 0.000000 4.592942 6.095050 4.109797 6.185809 2.689113 6.507019 4.942189 4.050873 5.112645 4.721203 6.231763 4.640796 5.130601 4.846346 4.639082 3.793354 5.615057 2.859588 4.476717 2.729028 4.403464 3.623732 2.152537 3.401628 1.082824 3.873601 2.158155 3.405850 3.005918 6.050017 3.971284 5.690865 4.763289 7.026722 6.677646 6.250346 5.288522 5.375954 2.822963 5.386962 5.286497 4.081210 4.281403 0.000000 4.013009 3.969436 7.229982 8.271686 4.507483 10.379230 7.399753 5.938426 7.088423 8.135196 8.171817 5.182707 7.511768 4.237829 7.876140 7.278281 9.272415 5.910445 8.249874 5.660546 8.058149 6.858880 3.384722 2.144936 3.874515 1.083726 3.392547 2.151381 5.518091 7.402227 7.812123 9.171223 8.235182 9.216003 7.929952 8.217425 5.658394 7.991193 5.232910 9.288633 8.989370 6.969766 2.494268 4.957289 0.000000 4.474455 4.654838 5.244033 6.930024 4.572866 8.124131 4.561276 3.612162 5.102342 4.754720 5.365715 3.514143 5.783575 3.850127 6.259506 5.848632 7.248753 4.884953 6.770445 4.994700 6.856629 6.051722 3.385271 3.870591 2.143346 3.392768 1.084218 2.152389 3.042443 5.817961 4.532945 5.845645 4.462592 6.352616 5.643693 5.076186 3.721936 6.897873 4.359606 7.616368 7.759877 6.437176 4.953251 2.478663 4.291191 0.000000 4.184583 3.303803 6.723566 7.942214 5.248558 9.936742 5.994696 4.738393 6.168584 6.674010 6.534269 3.869239 6.963184 3.467325 7.712013 7.318906 8.933630 6.107939 8.363352 6.110449 8.361174 7.328192 3.865449 3.399367 3.401889 2.152424 2.153681 1.083010 4.468286 6.548650 6.571817 7.746964 6.516995 7.619717 6.396464 6.319299 3.977769 8.067700 5.362545 9.313286 9.316297 7.585607 4.306804 4.301067 2.481032 2.482652 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8654,-.1947,-1.695;4.647,.2176,-.8632;-1.6084,1.4391,-.218;-1.3369,2.8839,-1.9372;-.8964,-3.4989,.0131;-4.8248,2.4818,-.0278;.6206,3.0014,1.2049;1.1203,1.7246,.5965;.374,2.734,-.2872;-.5183,2.9352,2.206;1.6114,4.1155,1.4946;2.5531,1.4406,.3424;-.9234,2.4014,-.913;2.9663,.6054,-.6077;-2.8359,.9553,-.7962;-3.0029,-.4996,-.3814;-3.9495,1.815,-.3679;-1.8649,-1.3079,-.3715;-4.2488,-1.0356,-.0587;-1.9774,-2.646,-.0033;-4.3493,-2.387,.274;-3.2195,-3.1959,.3118;.3504,-3.0441,.4098;1.4505,-3.5628,-.2657;.5182,-2.1648,1.4805;2.7335,-3.1891,.127;1.8065,-1.7942,1.8577;2.9174,-2.3011,1.1848;.5295,.842,.822;.9808,3.3231,-.9632;-1.1911,2.1018,2.0141;-1.1041,3.8588,2.1834;-.1089,2.8225,3.2147;1.0979,5.0804,1.5139;2.4057,4.174,.7472;2.0768,3.9638,2.474;3.3093,1.8997,.9692;-2.7598,1.0389,-1.8853;-.8959,-.8965,-.6192;-5.1323,-.4092,-.0537;-5.3165,-2.8061,.5254;-3.276,-4.2414,.588;1.2852,-4.2439,-1.0914;-.3465,-1.7786,2.0055;3.5907,-3.5814,-.4076;1.9404,-1.1062,2.685;3.9161,-1.9988,1.4752; 0.1923488 0.1467967 0.0982113 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= 746 RedAO= T EigKep= 1.13D-06 NBF= 746 NBsUse= 743 1.00D-06 EigRej= 9.74D-07 NBFU= 743 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= 769 769 769 769 769 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.94550215440 -2050.94550215 1 2.044067033198e+03 -1.076960773368e+04 3.699031274324e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414364904 LenY= 1413765054 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. PT585.500S 2024-10-10T04:25:00.000 -101.58075 -101.58020 -19.19646 -19.17944 -19.13303 -14.33235 -10.32602 -10.30187 -10.29990 -10.25827 -10.25160 -10.22632 -10.22513 -10.21859 -10.21583 -10.21360 -10.21286 -10.19833 -10.19674 -10.19423 -10.19335 -10.19275 -10.19072 -10.19007 -10.18668 -10.18623 -10.18446 -10.17802 -9.49529 -9.49505 -7.26021 -7.25986 -7.24988 -7.24972 -7.24964 -7.24933 -1.13624 -1.09917 -1.04977 -0.93672 -0.93084 -0.90971 -0.88995 -0.87168 -0.85336 -0.82342 -0.78692 -0.78257 -0.76759 -0.76524 -0.75267 -0.73794 -0.71474 -0.68320 -0.65908 -0.63699 -0.62722 -0.62412 -0.60783 -0.59331 -0.57277 -0.56682 -0.55172 -0.53363 -0.52059 -0.50953 -0.50730 -0.50540 -0.50097 -0.48990 -0.48680 -0.47581 -0.46940 -0.46043 -0.45710 -0.45504 -0.44297 -0.44175 -0.43346 -0.42543 -0.42214 -0.41859 -0.41379 -0.40804 -0.40511 -0.39716 -0.39498 -0.38636 -0.38510 -0.38141 -0.37715 -0.37088 -0.36318 -0.35902 -0.35652 -0.35326 -0.34577 -0.34402 -0.34039 -0.33849 -0.32714 -0.32030 -0.29606 -0.27982 -0.27395 -0.27228 -0.26276 -0.24005 -0.04990 -0.04712 -0.03516 -0.02811 -0.02432 -0.01607 -0.01539 -0.01198 -0.00543 0.00026 0.00479 0.00801 0.01208 0.01259 0.01756 0.02182 0.02619 0.03059 0.03278 0.03609 0.03707 0.04421 0.04512 0.04575 0.05051 0.05843 0.06112 0.06419 0.06742 0.06970 0.07349 0.07753 0.08175 0.08230 0.08704 0.08961 0.09336 0.09469 0.09749 0.10011 0.10343 0.10409 0.10653 0.10841 0.11312 0.11517 0.11869 0.12195 0.12415 0.12693 0.12831 0.12930 0.13053 0.13369 0.13755 0.13893 0.14096 0.14348 0.14771 0.15009 0.15218 0.15338 0.15752 0.16072 0.16112 0.16253 0.16765 0.16983 0.17209 0.17284 0.17574 0.18104 0.18184 0.18446 0.18526 0.18923 0.19138 0.19359 0.19531 0.19817 0.20165 0.20260 0.20413 0.20715 0.20993 0.21293 0.21618 0.21743 0.21894 0.21995 0.22153 0.22338 0.22836 0.22970 0.23227 0.23322 0.23659 0.23743 0.24079 0.24404 0.24519 0.24654 0.24739 0.25101 0.25232 0.25424 0.25869 0.26014 0.26210 0.26425 0.26594 0.26815 0.27081 0.27581 0.27593 0.27836 0.28144 0.28331 0.28448 0.28721 0.28852 0.29030 0.29430 0.29649 0.29977 0.30184 0.30448 0.30896 0.31084 0.31395 0.31991 0.32197 0.32335 0.32591 0.32844 0.33641 0.34192 0.34261 0.34775 0.35019 0.35189 0.35523 0.35742 0.36027 0.36725 0.37117 0.37176 0.37704 0.38067 0.38276 0.38882 0.39384 0.39796 0.40381 0.40866 0.41261 0.42708 0.43383 0.44240 0.44569 0.44938 0.45392 0.45972 0.46673 0.46999 0.47454 0.47921 0.48746 0.49342 0.49965 0.50349 0.50950 0.51050 0.51816 0.52954 0.53315 0.53763 0.54196 0.54407 0.54855 0.55923 0.56232 0.56375 0.56876 0.57129 0.57427 0.57799 0.58739 0.59177 0.59310 0.59463 0.60561 0.61120 0.61439 0.61806 0.62412 0.63159 0.63419 0.63920 0.65023 0.65085 0.65251 0.65602 0.65735 0.66034 0.66373 0.67090 0.67217 0.67626 0.67870 0.68119 0.68627 0.69141 0.69405 0.69850 0.69963 0.70185 0.70284 0.70775 0.71225 0.71826 0.71957 0.72533 0.73235 0.73661 0.73775 0.73861 0.74415 0.74521 0.75045 0.75811 0.76679 0.76719 0.77050 0.77804 0.78404 0.78847 0.79374 0.79433 0.79842 0.81102 0.81189 0.81925 0.82032 0.82416 0.82885 0.83437 0.84003 0.84617 0.85453 0.86113 0.86591 0.87461 0.87609 0.88549 0.88800 0.89183 0.90271 0.90947 0.91642 0.91895 0.92614 0.93072 0.93471 0.93988 0.94388 0.94888 0.95701 0.95908 0.96351 0.97224 0.97525 0.98615 0.99263 1.00608 1.00614 1.01622 1.02124 1.02689 1.02973 1.03419 1.03998 1.04410 1.05008 1.05953 1.06173 1.06807 1.07469 1.07879 1.08796 1.09062 1.09507 1.10517 1.10763 1.11412 1.11818 1.13297 1.13699 1.14216 1.14674 1.16119 1.16505 1.18378 1.19187 1.20575 1.21149 1.21429 1.22392 1.25149 1.25570 1.26305 1.26655 1.28391 1.29664 1.29951 1.31618 1.32439 1.33340 1.34618 1.35250 1.35660 1.36602 1.37591 1.38654 1.39474 1.40419 1.41388 1.42384 1.43450 1.45975 1.46387 1.47365 1.48023 1.48375 1.49440 1.49988 1.50682 1.51201 1.51641 1.51990 1.52796 1.53317 1.53397 1.53955 1.54429 1.55802 1.56356 1.57152 1.57465 1.58237 1.58646 1.59146 1.60163 1.60971 1.61391 1.61957 1.62938 1.63352 1.63681 1.65160 1.65534 1.65876 1.66570 1.67232 1.67825 1.68220 1.68900 1.69514 1.70738 1.70989 1.71602 1.72455 1.73711 1.73996 1.74977 1.75772 1.76161 1.76453 1.76813 1.77479 1.78316 1.79819 1.80006 1.81965 1.82582 1.83206 1.83816 1.85028 1.86159 1.86746 1.88224 1.88819 1.89432 1.90127 1.90538 1.91171 1.92125 1.92840 1.93359 1.94151 1.94828 1.95023 1.95730 1.96347 1.97007 1.97851 1.98172 1.99045 1.99629 2.00214 2.01106 2.01805 2.02236 2.02812 2.03446 2.04358 2.06215 2.07364 2.07882 2.08261 2.08913 2.09229 2.09771 2.11015 2.11733 2.13049 2.14443 2.14954 2.16008 2.18196 2.19083 2.20739 2.23579 2.24452 2.24907 2.25486 2.26682 2.27867 2.29390 2.31899 2.33387 2.33433 2.34715 2.35107 2.36682 2.37593 2.38748 2.39668 2.41056 2.41384 2.42014 2.43697 2.45788 2.46385 2.47185 2.47892 2.48752 2.49766 2.50172 2.51111 2.51663 2.52256 2.52513 2.53737 2.55311 2.56939 2.60076 2.60467 2.61428 2.61883 2.62264 2.63402 2.65191 2.65444 2.66560 2.67477 2.68458 2.69676 2.70751 2.71467 2.72087 2.72245 2.72780 2.73778 2.74573 2.75227 2.75362 2.76097 2.76362 2.77369 2.78312 2.78425 2.79460 2.80451 2.81242 2.81447 2.82101 2.82825 2.83891 2.84292 2.84819 2.85340 2.86581 2.87296 2.88272 2.89054 2.90388 2.92203 2.92592 2.92746 2.93733 2.94252 2.94978 2.96231 2.97300 2.99218 2.99320 3.00107 3.01496 3.01921 3.04125 3.05424 3.07006 3.08892 3.09563 3.10858 3.11464 3.12172 3.13064 3.13535 3.14905 3.15463 3.16597 3.18706 3.19248 3.20606 3.21678 3.23751 3.26266 3.26929 3.30016 3.31032 3.35753 3.36511 3.36735 3.38052 3.39163 3.41078 3.45486 3.48585 3.52474 3.54396 3.55111 3.57225 3.59650 3.60507 3.63423 3.64911 3.67756 3.70599 3.71260 3.72624 3.77491 3.80019 3.80938 3.82873 3.83430 3.85844 3.90962 3.98541 4.00657 4.01873 4.03156 4.03500 4.07765 4.10616 4.13105 4.14465 4.15104 4.16155 4.17558 4.19392 4.25160 4.28590 4.33465 4.52955 4.55612 4.62125 4.83420 4.84528 5.12275 5.12479 5.13935 5.23823 5.41654 5.43417 5.64901 5.87487 5.89182 9.79184 9.87512 23.52405 23.57871 23.62767 23.76443 23.79365 23.86177 23.87051 23.93655 23.94951 23.95229 23.96091 23.97486 23.98492 23.99175 24.06401 24.06869 24.08302 24.09453 24.17586 24.18600 24.19011 24.35166 25.95885 26.03769 26.17141 26.32343 26.62197 26.69184 35.88126 49.92030 49.97659 50.02037 215.78865 215.88783 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.148924 0.041090 0.188160 -0.160092 0.025636 -0.202643 0.634670 0.237918 -0.022658 -0.508925 -0.355801 -1.906560 -0.440391 0.836822 0.384220 0.704254 -0.611714 1.030243 -0.388137 -1.259841 -0.393715 -0.289784 -0.464695 0.064642 0.044356 -0.387688 0.024441 0.022704 0.224998 0.186050 0.163940 0.157881 0.146595 0.161028 0.143355 0.155337 0.168303 0.244406 0.167433 0.151595 0.137101 0.133873 0.129322 0.146812 0.133834 0.123585 0.129113 -0.00000 3.2594 -1.4934 2.5555 4.4028 -185.6599 -183.1191 -180.0616 20.6248 2.4581 10.3819 -2.7130 -0.1723 2.8853 20.6248 2.4581 10.3819 97.8277 4.4098 -3.9231 61.8070 -99.7057 1.5174 15.4108 -1.2019 13.7455 14.8516 -8011.0090 -5969.4023 -1422.9211 468.2153 9.3068 230.8692 150.9843 -13.5707 58.5334 -2387.8975 -1557.1681 -1283.8097 -16.0471 -100.8538 19.1031 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CIBELES02 APULGAR 2024-10-10T00:00:00.000 0 Wavefunction Cypermethrin-theta CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2050.9455022 RMSD=7.081e-09 Dipole=1.4379178,0.475295,-0.8408344 Quadrupole=-2.5014064,1.8227625,0.6786439,-16.355272,-0.9247595,5.3873481 PG=C01 [X(C22H19Cl2N1O3)] 0 1.5988014434 0.2055557956 1.9898755016 0 4.4578482332 -0.3349598206 1.6247283128 0 -1.6685943842 -1.4644704821 0.1316212029 0 -1.7074994235 -2.7708308774 1.9777709991 0 -0.7607099433 3.4214340966 -0.3666872099 0 -4.8541851693 -2.4468958362 -0.4648310351 0 0.6933069746 -3.1864051432 -0.8117582897 0 1.139891533 -1.8759554419 -0.2341713078 0 0.2354358256 -2.7934620414 0.6005257357 0 -0.2797898312 -3.1760235268 -1.9764945107 0 1.6775160571 -4.3421370999 -0.8611324387 0 2.527313296 -1.6044646516 0.2122183551 0 -1.1288957879 -2.3823296098 0.994425448 0 2.8220703172 -0.7044097626 1.1471918403 0 -2.9514944064 -0.9079849248 0.4776735954 0 -3.004358854 0.5118564584 -0.0681217167 0 -4.0172801637 -1.774459406 -0.0477859592 0 -1.8506097837 1.2910102293 0.0331483195 0 -4.1687263666 1.047682174 -0.6166425727 0 -1.8606571913 2.5970637093 -0.4493905845 0 -4.1717244693 2.3696191767 -1.0633997602 0 -3.0218923361 3.147313649 -0.990943852 0 0.5150286808 2.9082274042 -0.5331365982 0 1.5187310463 3.4551993469 0.2599935264 0 0.8110317222 1.9415181789 -1.4952449605 0 2.8324478161 3.0223078533 0.0967652075 0 2.1277970658 1.5128029786 -1.6426490331 0 3.1421334558 2.0475717624 -0.8495263662 0 0.6202167423 -1.0015094446 -0.6139807254 0 0.7134725553 -3.3393015786 1.4041405031 0 -0.9447041758 -2.3149755655 -1.9535737411 0 -0.8937694776 -4.0814046845 -1.9723962495 0 0.2797380514 -3.154626983 -2.9168074895 0 1.1398003983 -5.2937688572 -0.8841728646 0 2.3483666532 -4.3576174239 0.0006106176 0 2.2892282583 -4.2807476715 -1.7670849781 0 3.3526499417 -2.1295844978 -0.2552285428 0 -3.0422889018 -0.9047310414 1.5688480288 0 -0.9444106055 0.8794591871 0.4560985914 0 -5.0625116861 0.4428881994 -0.7078923136 0 -5.0753824835 2.7884620949 -1.4903267616 0 -3.0004170274 4.1679537631 -1.3519444277 0 1.2551417575 4.2044433929 0.9961737094 0 0.0219367996 1.5335092405 -2.1144095907 0 3.6128538423 3.4373970499 0.7237659198 0 2.3603404841 0.7572302392 -2.3846481313 0 4.1620037661 1.7005515881 -0.9606697771 Gaussian 16 10-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H19Cl2NO3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.5988,.2056,1.9899;4.4578,-.335,1.6247;-1.6686,-1.4645,.1316;-1.7075,-2.7708,1.9778;-.7607,3.4214,-.3667;-4.8542,-2.4469,-.4648;.6933,-3.1864,-.8118;1.1399,-1.876,-.2342;.2354,-2.7935,.6005;-.2798,-3.176,-1.9765;1.6775,-4.3421,-.8611;2.5273,-1.6045,.2122;-1.1289,-2.3823,.9944;2.8221,-.7044,1.1472;-2.9515,-.908,.4777;-3.0044,.5119,-.0681;-4.0173,-1.7745,-.0478;-1.8506,1.291,.0331;-4.1687,1.0477,-.6166;-1.8607,2.5971,-.4494;-4.1717,2.3696,-1.0634;-3.0219,3.1473,-.9909;.515,2.9082,-.5331;1.5187,3.4552,.26;.811,1.9415,-1.4952;2.8324,3.0223,.0968;2.1278,1.5128,-1.6426;3.1421,2.0476,-.8495;.6202,-1.0015,-.614;.7135,-3.3393,1.4041;-.9447,-2.315,-1.9536;-.8938,-4.0814,-1.9724;.2797,-3.1546,-2.9168;1.1398,-5.2938,-.8842;2.3484,-4.3576,.0006;2.2892,-4.2807,-1.7671;3.3527,-2.1296,-.2552;-3.0423,-.9047,1.5688;-.9444,.8795,.4561;-5.0625,.4429,-.7079;-5.0754,2.7885,-1.4903;-3.0004,4.168,-1.3519;1.2551,4.2044,.9962;.0219,1.5335,-2.1144;3.6129,3.4374,.7238;2.3603,.7572,-2.3846;4.162,1.7006,-.9607; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 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=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 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 Cypermethrin-theta CONF4 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 774 A 746 A 746 1194 774 108 108 2975.6271452201 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0632212146 0.000000 2.932514 0.000000 4.113146 6.406127 0.000000 4.448668 6.638495 2.261937 0.000000 4.632770 6.731239 4.994460 6.688575 0.000000 7.396088 9.774482 3.386577 3.996607 7.155660 0.000000 4.491600 5.314036 3.071417 3.703788 6.780545 5.607308 0.000000 3.080531 4.103537 2.861943 3.714987 5.629581 6.025623 1.500108 0.000000 3.575355 4.992193 2.368844 2.381662 6.368103 5.211462 1.535772 1.535115 0.000000 5.540422 6.594366 3.049974 4.223595 6.808025 4.872561 1.517773 2.596413 2.655719 0.000000 5.368049 5.474232 4.523603 4.688998 8.152451 6.812644 1.518822 2.600802 2.571854 2.536710 0.000000 2.701550 2.708097 4.199016 4.734050 6.033729 7.460201 2.629571 1.482535 2.610977 3.891027 3.060897 0.000000 3.889525 5.983370 1.370464 1.205273 5.972593 4.001422 2.688728 2.629308 1.478373 3.190188 3.893570 3.819003 0.000000 1.741993 1.743647 4.666385 5.047471 5.670162 8.034910 3.811748 2.471924 3.369519 5.048547 4.310038 1.330848 4.295217 0.000000 4.922593 7.519471 1.440577 2.695925 4.925074 2.622364 4.487584 4.264168 3.704948 4.278428 5.917224 5.529275 2.400540 5.815819 0.000000 5.051560 7.698531 2.393749 4.079652 3.686291 3.511901 5.282316 4.785815 4.676376 4.966450 6.790440 5.929317 3.608695 6.074831 1.522050 0.000000 6.293878 8.757697 2.375838 3.229663 6.140379 1.151741 4.976633 5.161537 4.420890 4.433185 6.299619 6.551962 3.130252 7.024934 1.470641 2.500733 0.000000 4.111621 6.706232 2.763241 4.505618 2.426202 4.820933 5.218489 4.363969 4.621300 5.143980 6.706695 5.251862 3.865016 5.201609 2.499026 1.395877 3.754746 0.000000 6.384942 9.019603 3.622357 5.231602 4.160739 3.564404 6.450189 6.072509 5.969299 5.900230 7.955406 7.249679 4.858095 7.419715 2.550258 1.394179 2.882883 2.419732 0.000000 4.861809 7.267891 4.107374 5.893120 1.377066 5.865405 6.332658 5.390502 5.878239 6.177356 7.800045 6.111043 5.235880 5.947835 3.786125 2.408632 4.891066 1.392379 2.784913 0.000000 6.877836 9.434527 4.732228 6.461064 3.636859 4.901311 7.389267 6.850240 6.989214 6.836304 8.905178 7.892886 6.006202 7.952958 3.821853 2.409274 4.269510 2.784491 1.395392 2.402035 0.000000 6.236187 8.655316 4.935597 6.750210 2.361733 5.910099 7.345121 6.567068 6.959582 6.962401 8.842690 7.404099 6.172688 7.318422 4.313611 2.792408 5.109226 2.422092 2.421525 1.394461 1.390026 0.000000 3.852867 5.542605 4.932606 6.595149 1.385134 7.583566 6.103602 4.834071 5.820019 6.303422 7.350289 4.996922 5.746819 4.604030 5.253760 4.283097 6.534902 2.921013 5.040453 2.397440 4.747308 3.574431 0.000000 3.682266 4.986604 5.863333 7.219610 2.364259 8.716316 6.777971 5.367395 6.388159 7.225626 7.879124 5.159430 6.451826 4.448389 6.250414 5.406410 7.621777 4.010939 6.237932 3.558074 5.942318 4.719841 1.391277 0.000000 3.972431 5.311860 4.516193 6.372682 2.436014 7.239794 5.174612 4.033802 5.209952 5.254591 6.374733 4.293605 5.353264 4.245902 5.115533 4.317154 6.262286 3.137432 5.135063 2.943038 5.019723 4.049638 1.395635 2.423413 0.000000 3.611072 4.030861 6.355452 7.596694 3.644842 9.450498 6.629439 5.193000 6.389165 7.239043 7.515749 4.638260 6.760780 3.871941 7.003305 6.355932 8.363531 4.993242 7.309209 4.743875 7.129545 5.955841 2.404209 1.392799 2.790829 0.000000 3.896661 4.418045 5.140504 6.794590 3.689773 8.112616 4.983041 3.800454 5.211217 5.281384 5.924006 3.649316 5.721212 3.630600 6.012918 5.460774 7.149242 4.322639 6.396502 4.302006 6.383857 5.442026 2.404007 2.786380 1.392622 2.408464 0.000000 3.719825 3.678247 6.036571 7.397943 4.165671 9.180923 5.778641 4.447662 5.829850 6.345515 6.555427 3.852619 6.423852 3.415073 6.901382 6.383446 8.155238 5.126303 7.382593 5.048759 7.324068 6.262958 2.782537 2.418240 2.421205 1.393371 1.394238 0.000000 3.032277 4.492607 2.451308 3.907165 4.640102 5.663962 2.195046 1.085805 2.198676 2.719369 3.512657 2.164065 2.748278 2.835164 3.735984 3.965575 4.735441 3.432114 5.208951 4.373963 5.876154 5.533515 3.911987 4.629623 3.078059 4.646529 3.106883 3.963892 0.000000 3.700393 4.805734 3.287634 2.552120 7.142590 5.940392 2.221259 2.237695 1.082708 3.527311 2.658293 2.778553 2.116124 3.384503 4.494622 5.551688 5.190072 5.467534 6.867682 6.730688 7.908583 7.859107 6.544008 6.937057 6.025198 6.831498 5.901369 6.324224 3.089787 0.000000 5.326659 6.775860 2.365463 4.030525 5.954701 4.185427 2.178580 2.737631 2.853963 1.088136 3.489821 4.153358 2.954516 5.137826 3.452216 3.973422 3.655805 4.215550 4.846563 5.218205 5.757734 5.922666 5.606274 6.653068 4.627139 6.852544 4.918214 6.078896 2.443088 3.882401 0.000000 6.347483 7.457544 3.446097 4.240705 7.673891 4.541945 2.160305 3.467162 3.090927 1.093939 2.813254 4.755164 3.426977 5.911293 4.506403 5.401749 4.333871 5.813828 6.234657 6.917829 7.292940 7.599113 7.274004 8.222173 6.277708 8.284254 6.366613 7.423860 3.690962 3.812472 1.767264 0.000000 6.091494 6.784738 3.993187 5.296538 7.129532 5.733257 2.145526 3.093768 3.536105 1.094403 2.754953 4.152758 4.228290 5.383596 5.197188 5.687126 5.347945 5.744938 6.537507 6.614483 7.332662 7.370493 6.518854 7.437538 5.317312 7.331608 5.179161 6.287275 3.170939 4.346587 1.769772 1.768601 0.000000 6.222010 6.472543 4.856176 4.760573 8.935015 6.648940 2.155361 3.479073 3.045281 2.773671 1.093285 4.091238 4.141569 5.293269 6.150481 7.179504 6.299251 7.289948 8.274420 8.453225 9.325874 9.411852 8.233244 8.831600 7.268485 8.543092 6.919599 7.609587 4.332027 3.039420 3.789721 2.605660 3.073636 0.000000 5.034041 4.823841 4.952115 4.783002 8.385398 7.466207 2.184240 2.770231 2.696471 3.494612 1.092191 2.767065 4.120775 3.858104 6.341615 7.236586 6.869971 7.038427 8.489450 8.141620 9.428649 9.281533 7.512557 7.861023 6.654329 7.396410 6.100065 6.509934 3.824616 2.383221 4.339993 3.805325 3.773293 1.766311 0.000000 5.892229 5.637069 5.215445 5.681340 8.401598 7.489141 2.158055 3.074707 3.469245 2.804304 1.094856 3.337187 4.786805 4.644042 6.624171 7.340136 7.000680 7.171024 8.451086 8.140157 9.298734 9.164414 7.506782 8.034151 6.401215 7.556695 5.797135 6.451123 3.855989 3.664150 3.789110 3.195836 2.574502 1.768313 1.770354 0.000000 3.683661 2.824248 5.079855 5.567997 6.909845 8.215641 2.915253 2.227346 3.300011 4.153602 2.840525 1.084176 4.659374 2.068676 6.463102 6.886493 7.381397 6.233582 8.172928 7.039707 8.804100 8.307931 5.788685 5.900722 4.956949 5.190039 4.085607 4.224469 2.977826 3.343976 4.624500 4.978990 4.192553 3.912076 2.457269 2.836208 0.000000 4.790587 7.521956 2.065421 2.330496 5.260000 3.130030 4.982770 4.656693 3.904924 5.035834 6.324328 5.774993 2.484820 5.882910 1.094950 2.165139 2.078591 2.932533 3.139610 4.210951 4.350370 4.792913 5.622411 6.443989 5.686641 7.218116 6.548891 7.267166 4.264746 4.478840 4.335448 5.219943 6.018222 6.539942 6.590976 7.137998 6.761861 0.000000 3.045414 5.659056 2.474618 4.027705 2.678126 5.215274 4.562985 3.523223 3.860472 4.775581 5.989546 4.275772 3.311057 4.143987 2.687714 2.157157 4.091419 1.081415 3.402247 2.146994 3.865877 3.398974 2.687834 3.569308 2.831482 4.357245 3.774166 4.446233 2.670425 4.630907 4.001367 5.523615 5.398971 6.651993 6.202969 6.482800 5.293870 2.970293 0.000000 7.190784 9.832773 3.982647 5.366273 5.243439 2.907461 6.805293 6.638618 6.344617 6.130277 8.267280 7.914777 5.133525 8.180725 2.772511 2.156399 2.538677 3.403640 1.083030 3.867708 2.152250 3.399730 6.100606 7.302299 6.112637 8.344535 7.329327 8.361296 5.864171 7.219947 5.110174 6.280653 6.808895 8.450384 8.858214 8.802426 8.811212 3.328802 4.301654 0.000000 7.957886 10.504371 5.685451 7.367230 4.503290 5.339433 8.332903 7.871744 7.983379 7.668713 9.840883 8.944129 6.963177 9.029198 4.695492 3.390389 4.901098 3.868139 2.148410 3.384470 1.083648 2.143590 5.673029 6.854961 5.947034 8.068911 7.316851 8.275694 6.897225 8.912815 6.581958 8.056882 8.126037 10.213637 10.411599 10.212140 9.835872 5.208809 4.949524 2.472668 0.000000 6.929731 9.206657 5.974857 7.804189 2.558185 6.926735 8.247545 7.410831 7.921123 7.856582 9.723456 8.143907 7.205155 7.992932 5.395836 3.874953 6.168234 3.393721 3.411995 2.140409 2.165462 1.082815 3.823051 4.850676 4.416412 6.118298 5.782120 6.517620 6.354284 8.817475 6.827612 8.536676 8.174864 10.338491 10.155011 9.976635 9.012393 5.853624 4.279063 4.306176 2.495522 0.000000 4.134809 5.590938 6.436790 7.641677 2.556199 9.148701 7.629477 6.204698 7.082868 8.103337 8.756256 5.998035 7.004942 5.155086 6.640900 5.736834 8.039625 4.365914 6.479557 3.792299 6.087635 4.833134 2.136992 1.082962 3.394883 2.166627 3.869088 3.408730 5.486135 7.574162 7.486198 9.060105 8.391588 9.683235 8.688796 8.983507 6.788627 6.700711 4.023087 7.547575 6.947174 4.860532 0.000000 4.592942 6.095050 4.109797 6.185809 2.689113 6.507019 4.942189 4.050873 5.112645 4.721203 6.231763 4.640796 5.130601 4.846346 4.639082 3.793354 5.615057 2.859588 4.476717 2.729028 4.403464 3.623732 2.152537 3.401628 1.082824 3.873601 2.158155 3.405850 3.005918 6.050017 3.971284 5.690865 4.763289 7.026722 6.677646 6.250346 5.288522 5.375954 2.822963 5.386962 5.286497 4.081210 4.281403 0.000000 4.013009 3.969436 7.229982 8.271686 4.507483 10.379230 7.399753 5.938426 7.088423 8.135196 8.171817 5.182707 7.511768 4.237829 7.876140 7.278281 9.272415 5.910445 8.249874 5.660546 8.058149 6.858880 3.384722 2.144936 3.874515 1.083726 3.392547 2.151381 5.518091 7.402227 7.812123 9.171223 8.235182 9.216003 7.929952 8.217425 5.658394 7.991193 5.232910 9.288633 8.989370 6.969766 2.494268 4.957289 0.000000 4.474455 4.654838 5.244033 6.930024 4.572866 8.124131 4.561276 3.612162 5.102342 4.754720 5.365715 3.514143 5.783575 3.850127 6.259506 5.848632 7.248753 4.884953 6.770445 4.994700 6.856629 6.051722 3.385271 3.870591 2.143346 3.392768 1.084218 2.152389 3.042443 5.817961 4.532945 5.845645 4.462592 6.352616 5.643693 5.076186 3.721936 6.897873 4.359606 7.616368 7.759877 6.437176 4.953251 2.478663 4.291191 0.000000 4.184583 3.303803 6.723566 7.942214 5.248558 9.936742 5.994696 4.738393 6.168584 6.674010 6.534269 3.869239 6.963184 3.467325 7.712013 7.318906 8.933630 6.107939 8.363352 6.110449 8.361174 7.328192 3.865449 3.399367 3.401889 2.152424 2.153681 1.083010 4.468286 6.548650 6.571817 7.746964 6.516995 7.619717 6.396464 6.319299 3.977769 8.067700 5.362545 9.313286 9.316297 7.585607 4.306804 4.301067 2.481032 2.482652 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8654,-.1947,-1.695;4.647,.2176,-.8632;-1.6084,1.4391,-.218;-1.3369,2.8839,-1.9372;-.8964,-3.4989,.0131;-4.8248,2.4818,-.0278;.6206,3.0014,1.2049;1.1203,1.7246,.5965;.374,2.734,-.2872;-.5183,2.9352,2.206;1.6114,4.1155,1.4946;2.5531,1.4406,.3424;-.9234,2.4014,-.913;2.9663,.6054,-.6077;-2.8359,.9553,-.7962;-3.0029,-.4996,-.3814;-3.9495,1.815,-.3679;-1.8649,-1.3079,-.3715;-4.2488,-1.0356,-.0587;-1.9774,-2.646,-.0033;-4.3493,-2.387,.274;-3.2195,-3.1959,.3118;.3504,-3.0441,.4098;1.4505,-3.5628,-.2657;.5182,-2.1648,1.4805;2.7335,-3.1891,.127;1.8065,-1.7942,1.8577;2.9174,-2.3011,1.1848;.5295,.842,.822;.9808,3.3231,-.9632;-1.1911,2.1018,2.0141;-1.1041,3.8588,2.1834;-.1089,2.8225,3.2147;1.0979,5.0804,1.5139;2.4057,4.174,.7472;2.0768,3.9638,2.474;3.3093,1.8997,.9692;-2.7598,1.0389,-1.8853;-.8959,-.8965,-.6192;-5.1323,-.4092,-.0537;-5.3165,-2.8061,.5254;-3.276,-4.2414,.588;1.2852,-4.2439,-1.0914;-.3465,-1.7786,2.0055;3.5907,-3.5814,-.4076;1.9404,-1.1062,2.685;3.9161,-1.9988,1.4752; 0.1923488 0.1467967 0.0982113 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= 746 RedAO= T EigKep= 1.13D-06 NBF= 746 NBsUse= 743 1.00D-06 EigRej= 9.74D-07 NBFU= 743 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= 769 769 769 769 769 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.94550215440 -2050.94550215424 0.000000000166 -2050.94550215 2 2.044067033083e+03 -1.076960773294e+04 3.699031273695e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414364904 LenY= 1413765054 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.4975 275.67 0.0173 0.000 108 109 0.58140 108 110 0.35900 -2050.78022107 2 Singlet-A 4.6558 266.30 0.0004 0.000 108 109 -0.37363 108 110 0.58954 3 Singlet-A 4.9529 250.33 0.1261 0.000 108 111 0.65552 108 112 -0.15540 4 Singlet-A 5.0272 246.63 0.0370 0.000 104 111 0.13205 105 111 -0.11784 107 109 0.11610 107 111 0.10361 108 111 0.17544 108 112 0.58791 5 Singlet-A 5.2046 238.22 0.0319 0.000 106 110 0.11620 107 109 0.46867 107 110 0.15558 107 113 0.18787 108 112 -0.10350 108 113 -0.38667 6 Singlet-A 5.2841 234.64 0.0902 0.000 103 109 0.14326 103 110 -0.11556 105 110 0.10774 106 109 -0.13008 107 109 0.36354 107 110 -0.34921 108 113 0.33436 7 Singlet-A 5.2888 234.43 0.0019 0.000 106 109 0.21664 107 109 0.17246 107 110 0.40640 108 112 -0.12797 108 113 0.45295 8 Singlet-A 5.3494 231.77 0.0050 0.000 104 111 0.15667 106 109 0.38022 106 110 0.36455 107 110 -0.21960 107 111 -0.10715 107 113 -0.16311 108 112 -0.10278 108 114 -0.11228 9 Singlet-A 5.4252 228.53 0.0011 0.000 103 109 0.20668 103 110 -0.13694 104 109 -0.14443 105 109 0.17177 105 110 -0.14760 106 109 -0.30294 106 110 0.30295 107 109 -0.12933 107 110 0.24634 108 114 -0.14514 108 115 0.12733 10 Singlet-A 5.4895 225.86 0.0005 0.000 104 109 -0.13323 105 109 0.36755 106 109 0.13079 106 111 -0.11207 107 113 0.21362 108 114 0.43391 108 115 0.10746 PT49761.100S 2024-10-10T06:09:40.000 -101.58075 -101.58020 -19.19646 -19.17944 -19.13303 -14.33235 -10.32602 -10.30187 -10.29990 -10.25827 -10.25160 -10.22632 -10.22513 -10.21859 -10.21583 -10.21360 -10.21286 -10.19833 -10.19674 -10.19423 -10.19335 -10.19275 -10.19072 -10.19007 -10.18668 -10.18623 -10.18446 -10.17802 -9.49529 -9.49505 -7.26021 -7.25986 -7.24988 -7.24972 -7.24964 -7.24933 -1.13624 -1.09917 -1.04977 -0.93672 -0.93084 -0.90971 -0.88995 -0.87168 -0.85336 -0.82342 -0.78692 -0.78257 -0.76759 -0.76524 -0.75267 -0.73794 -0.71474 -0.68320 -0.65908 -0.63699 -0.62722 -0.62412 -0.60783 -0.59331 -0.57277 -0.56682 -0.55172 -0.53363 -0.52059 -0.50953 -0.50730 -0.50540 -0.50097 -0.48990 -0.48680 -0.47581 -0.46940 -0.46043 -0.45710 -0.45504 -0.44297 -0.44175 -0.43346 -0.42543 -0.42214 -0.41859 -0.41379 -0.40804 -0.40511 -0.39716 -0.39498 -0.38636 -0.38510 -0.38141 -0.37715 -0.37088 -0.36318 -0.35902 -0.35652 -0.35326 -0.34577 -0.34402 -0.34039 -0.33849 -0.32714 -0.32030 -0.29606 -0.27982 -0.27395 -0.27228 -0.26276 -0.24005 -0.04990 -0.04712 -0.03516 -0.02811 -0.02432 -0.01607 -0.01539 -0.01198 -0.00543 0.00026 0.00479 0.00801 0.01208 0.01259 0.01756 0.02182 0.02619 0.03059 0.03278 0.03609 0.03707 0.04421 0.04512 0.04575 0.05051 0.05843 0.06112 0.06419 0.06742 0.06970 0.07349 0.07753 0.08175 0.08230 0.08704 0.08961 0.09336 0.09469 0.09749 0.10011 0.10343 0.10409 0.10653 0.10841 0.11312 0.11517 0.11869 0.12195 0.12415 0.12693 0.12831 0.12930 0.13053 0.13369 0.13755 0.13893 0.14096 0.14348 0.14771 0.15009 0.15218 0.15338 0.15752 0.16072 0.16112 0.16253 0.16765 0.16983 0.17209 0.17284 0.17574 0.18104 0.18184 0.18446 0.18526 0.18923 0.19138 0.19359 0.19531 0.19817 0.20165 0.20260 0.20413 0.20715 0.20993 0.21293 0.21618 0.21743 0.21894 0.21995 0.22153 0.22338 0.22836 0.22970 0.23227 0.23322 0.23659 0.23743 0.24079 0.24404 0.24519 0.24654 0.24739 0.25101 0.25232 0.25424 0.25869 0.26014 0.26210 0.26425 0.26594 0.26815 0.27081 0.27581 0.27593 0.27836 0.28144 0.28331 0.28448 0.28721 0.28852 0.29030 0.29430 0.29649 0.29977 0.30184 0.30448 0.30896 0.31084 0.31395 0.31991 0.32197 0.32335 0.32591 0.32844 0.33641 0.34192 0.34261 0.34775 0.35019 0.35189 0.35523 0.35742 0.36027 0.36725 0.37117 0.37176 0.37704 0.38067 0.38276 0.38882 0.39384 0.39796 0.40381 0.40866 0.41261 0.42708 0.43383 0.44240 0.44569 0.44938 0.45392 0.45972 0.46673 0.46999 0.47454 0.47921 0.48746 0.49342 0.49965 0.50349 0.50950 0.51050 0.51816 0.52954 0.53315 0.53763 0.54196 0.54407 0.54855 0.55923 0.56232 0.56375 0.56876 0.57129 0.57427 0.57799 0.58739 0.59177 0.59310 0.59463 0.60561 0.61120 0.61439 0.61806 0.62412 0.63159 0.63419 0.63920 0.65023 0.65085 0.65251 0.65602 0.65735 0.66034 0.66373 0.67090 0.67217 0.67626 0.67870 0.68119 0.68627 0.69141 0.69405 0.69850 0.69963 0.70185 0.70284 0.70775 0.71225 0.71826 0.71957 0.72533 0.73235 0.73661 0.73775 0.73861 0.74415 0.74521 0.75045 0.75811 0.76679 0.76719 0.77050 0.77804 0.78404 0.78847 0.79374 0.79433 0.79842 0.81102 0.81189 0.81925 0.82032 0.82416 0.82885 0.83437 0.84003 0.84617 0.85453 0.86113 0.86591 0.87461 0.87609 0.88549 0.88800 0.89183 0.90271 0.90947 0.91642 0.91895 0.92614 0.93072 0.93471 0.93988 0.94388 0.94888 0.95701 0.95908 0.96351 0.97224 0.97525 0.98615 0.99263 1.00608 1.00614 1.01622 1.02124 1.02689 1.02973 1.03419 1.03998 1.04410 1.05008 1.05953 1.06173 1.06807 1.07469 1.07879 1.08796 1.09062 1.09507 1.10517 1.10763 1.11412 1.11818 1.13297 1.13699 1.14216 1.14674 1.16119 1.16505 1.18378 1.19187 1.20575 1.21149 1.21429 1.22392 1.25149 1.25570 1.26305 1.26655 1.28391 1.29664 1.29951 1.31618 1.32439 1.33340 1.34618 1.35250 1.35660 1.36602 1.37591 1.38654 1.39474 1.40419 1.41388 1.42384 1.43450 1.45975 1.46387 1.47365 1.48023 1.48375 1.49440 1.49988 1.50682 1.51201 1.51641 1.51990 1.52796 1.53317 1.53397 1.53955 1.54429 1.55802 1.56356 1.57152 1.57465 1.58237 1.58646 1.59146 1.60163 1.60971 1.61391 1.61957 1.62938 1.63352 1.63681 1.65160 1.65534 1.65876 1.66570 1.67232 1.67825 1.68220 1.68900 1.69514 1.70738 1.70989 1.71602 1.72455 1.73711 1.73996 1.74977 1.75772 1.76161 1.76453 1.76813 1.77479 1.78316 1.79819 1.80006 1.81965 1.82582 1.83206 1.83816 1.85028 1.86159 1.86746 1.88224 1.88819 1.89432 1.90127 1.90538 1.91171 1.92125 1.92840 1.93359 1.94151 1.94828 1.95023 1.95730 1.96347 1.97007 1.97851 1.98172 1.99045 1.99629 2.00214 2.01106 2.01805 2.02236 2.02812 2.03446 2.04358 2.06215 2.07364 2.07882 2.08261 2.08913 2.09229 2.09771 2.11015 2.11733 2.13049 2.14443 2.14954 2.16008 2.18196 2.19083 2.20739 2.23579 2.24452 2.24907 2.25486 2.26682 2.27867 2.29390 2.31899 2.33387 2.33433 2.34715 2.35107 2.36682 2.37593 2.38748 2.39668 2.41056 2.41384 2.42014 2.43697 2.45788 2.46385 2.47185 2.47892 2.48752 2.49766 2.50172 2.51111 2.51663 2.52256 2.52513 2.53737 2.55311 2.56939 2.60076 2.60467 2.61428 2.61883 2.62264 2.63402 2.65191 2.65444 2.66560 2.67477 2.68458 2.69676 2.70751 2.71467 2.72087 2.72245 2.72780 2.73778 2.74573 2.75227 2.75362 2.76097 2.76362 2.77369 2.78312 2.78425 2.79460 2.80451 2.81242 2.81447 2.82101 2.82825 2.83891 2.84292 2.84819 2.85340 2.86581 2.87296 2.88272 2.89054 2.90388 2.92203 2.92592 2.92746 2.93733 2.94252 2.94978 2.96231 2.97300 2.99218 2.99320 3.00107 3.01496 3.01921 3.04125 3.05424 3.07006 3.08892 3.09563 3.10858 3.11464 3.12172 3.13064 3.13535 3.14905 3.15463 3.16597 3.18706 3.19248 3.20606 3.21678 3.23751 3.26266 3.26929 3.30016 3.31032 3.35753 3.36511 3.36735 3.38052 3.39163 3.41078 3.45486 3.48585 3.52474 3.54396 3.55111 3.57225 3.59650 3.60507 3.63423 3.64911 3.67756 3.70599 3.71260 3.72624 3.77491 3.80019 3.80938 3.82873 3.83430 3.85844 3.90962 3.98541 4.00657 4.01873 4.03156 4.03500 4.07765 4.10616 4.13105 4.14465 4.15104 4.16155 4.17558 4.19392 4.25160 4.28590 4.33465 4.52955 4.55612 4.62125 4.83420 4.84528 5.12275 5.12479 5.13935 5.23823 5.41654 5.43417 5.64901 5.87487 5.89182 9.79184 9.87512 23.52405 23.57871 23.62767 23.76443 23.79365 23.86177 23.87051 23.93655 23.94951 23.95229 23.96091 23.97486 23.98492 23.99175 24.06401 24.06869 24.08302 24.09453 24.17586 24.18600 24.19011 24.35166 25.95885 26.03769 26.17141 26.32343 26.62197 26.69184 35.88126 49.92030 49.97659 50.02037 215.78865 215.88783 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.148924 0.041090 0.188160 -0.160092 0.025636 -0.202642 0.634670 0.237918 -0.022658 -0.508925 -0.355801 -1.906560 -0.440391 0.836822 0.384220 0.704254 -0.611714 1.030243 -0.388137 -1.259841 -0.393715 -0.289784 -0.464695 0.064642 0.044356 -0.387688 0.024441 0.022704 0.224998 0.186050 0.163940 0.157881 0.146595 0.161028 0.143355 0.155337 0.168303 0.244406 0.167433 0.151595 0.137101 0.133873 0.129322 0.146812 0.133834 0.123585 0.129113 -0.00000 3.2594 -1.4934 2.5555 4.4028 -185.6599 -183.1191 -180.0616 20.6248 2.4581 10.3819 -2.7130 -0.1723 2.8853 20.6248 2.4581 10.3819 97.8277 4.4098 -3.9231 61.8070 -99.7057 1.5174 15.4108 -1.2019 13.7455 14.8516 -8011.0088 -5969.4023 -1422.9211 468.2152 9.3068 230.8692 150.9843 -13.5707 58.5334 -2387.8974 -1557.1681 -1283.8097 -16.0471 -100.8538 19.1031 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CIBELES02 APULGAR 2024-10-10T00:00:00.000 0 Electronic spectrum Cypermethrin-theta CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2050.9455022 RMSD=6.217e-10 PG=C01 [X(C22H19Cl2N1O3)] 0 1.5988014434 0.2055557956 1.9898755016 0 4.4578482332 -0.3349598206 1.6247283128 0 -1.6685943842 -1.4644704821 0.1316212029 0 -1.7074994235 -2.7708308774 1.9777709991 0 -0.7607099433 3.4214340966 -0.3666872099 0 -4.8541851693 -2.4468958362 -0.4648310351 0 0.6933069746 -3.1864051432 -0.8117582897 0 1.139891533 -1.8759554419 -0.2341713078 0 0.2354358256 -2.7934620414 0.6005257357 0 -0.2797898312 -3.1760235268 -1.9764945107 0 1.6775160571 -4.3421370999 -0.8611324387 0 2.527313296 -1.6044646516 0.2122183551 0 -1.1288957879 -2.3823296098 0.994425448 0 2.8220703172 -0.7044097626 1.1471918403 0 -2.9514944064 -0.9079849248 0.4776735954 0 -3.004358854 0.5118564584 -0.0681217167 0 -4.0172801637 -1.774459406 -0.0477859592 0 -1.8506097837 1.2910102293 0.0331483195 0 -4.1687263666 1.047682174 -0.6166425727 0 -1.8606571913 2.5970637093 -0.4493905845 0 -4.1717244693 2.3696191767 -1.0633997602 0 -3.0218923361 3.147313649 -0.990943852 0 0.5150286808 2.9082274042 -0.5331365982 0 1.5187310463 3.4551993469 0.2599935264 0 0.8110317222 1.9415181789 -1.4952449605 0 2.8324478161 3.0223078533 0.0967652075 0 2.1277970658 1.5128029786 -1.6426490331 0 3.1421334558 2.0475717624 -0.8495263662 0 0.6202167423 -1.0015094446 -0.6139807254 0 0.7134725553 -3.3393015786 1.4041405031 0 -0.9447041758 -2.3149755655 -1.9535737411 0 -0.8937694776 -4.0814046845 -1.9723962495 0 0.2797380514 -3.154626983 -2.9168074895 0 1.1398003983 -5.2937688572 -0.8841728646 0 2.3483666532 -4.3576174239 0.0006106176 0 2.2892282583 -4.2807476715 -1.7670849781 0 3.3526499417 -2.1295844978 -0.2552285428 0 -3.0422889018 -0.9047310414 1.5688480288 0 -0.9444106055 0.8794591871 0.4560985914 0 -5.0625116861 0.4428881994 -0.7078923136 0 -5.0753824835 2.7884620949 -1.4903267616 0 -3.0004170274 4.1679537631 -1.3519444277 0 1.2551417575 4.2044433929 0.9961737094 0 0.0219367996 1.5335092405 -2.1144095907 0 3.6128538423 3.4373970499 0.7237659198 0 2.3603404841 0.7572302392 -2.3846481313 0 4.1620037661 1.7005515881 -0.9606697771 Gaussian 16 10-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H19Cl2NO3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.5988,.2056,1.9899;4.4578,-.335,1.6247;-1.6686,-1.4645,.1316;-1.7075,-2.7708,1.9778;-.7607,3.4214,-.3667;-4.8542,-2.4469,-.4648;.6933,-3.1864,-.8118;1.1399,-1.876,-.2342;.2354,-2.7935,.6005;-.2798,-3.176,-1.9765;1.6775,-4.3421,-.8611;2.5273,-1.6045,.2122;-1.1289,-2.3823,.9944;2.8221,-.7044,1.1472;-2.9515,-.908,.4777;-3.0044,.5119,-.0681;-4.0173,-1.7745,-.0478;-1.8506,1.291,.0331;-4.1687,1.0477,-.6166;-1.8607,2.5971,-.4494;-4.1717,2.3696,-1.0634;-3.0219,3.1473,-.9909;.515,2.9082,-.5331;1.5187,3.4552,.26;.811,1.9415,-1.4952;2.8324,3.0223,.0968;2.1278,1.5128,-1.6426;3.1421,2.0476,-.8495;.6202,-1.0015,-.614;.7135,-3.3393,1.4041;-.9447,-2.315,-1.9536;-.8938,-4.0814,-1.9724;.2797,-3.1546,-2.9168;1.1398,-5.2938,-.8842;2.3484,-4.3576,.0006;2.2892,-4.2807,-1.7671;3.3527,-2.1296,-.2552;-3.0423,-.9047,1.5688;-.9444,.8795,.4561;-5.0625,.4429,-.7079;-5.0754,2.7885,-1.4903;-3.0004,4.168,-1.3519;1.2551,4.2044,.9962;.0219,1.5335,-2.1144;3.6129,3.4374,.7238;2.3603,.7572,-2.3846;4.162,1.7006,-.9607; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Cypermethrin-theta CONF4 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1447 A 1279 A 1279 1867 1447 108 108 2975.6271452201 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0632212146 0.000000 2.932514 0.000000 4.113146 6.406127 0.000000 4.448668 6.638495 2.261937 0.000000 4.632770 6.731239 4.994460 6.688575 0.000000 7.396088 9.774482 3.386577 3.996607 7.155660 0.000000 4.491600 5.314036 3.071417 3.703788 6.780545 5.607308 0.000000 3.080531 4.103537 2.861943 3.714987 5.629581 6.025623 1.500108 0.000000 3.575355 4.992193 2.368844 2.381662 6.368103 5.211462 1.535772 1.535115 0.000000 5.540422 6.594366 3.049974 4.223595 6.808025 4.872561 1.517773 2.596413 2.655719 0.000000 5.368049 5.474232 4.523603 4.688998 8.152451 6.812644 1.518822 2.600802 2.571854 2.536710 0.000000 2.701550 2.708097 4.199016 4.734050 6.033729 7.460201 2.629571 1.482535 2.610977 3.891027 3.060897 0.000000 3.889525 5.983370 1.370464 1.205273 5.972593 4.001422 2.688728 2.629308 1.478373 3.190188 3.893570 3.819003 0.000000 1.741993 1.743647 4.666385 5.047471 5.670162 8.034910 3.811748 2.471924 3.369519 5.048547 4.310038 1.330848 4.295217 0.000000 4.922593 7.519471 1.440577 2.695925 4.925074 2.622364 4.487584 4.264168 3.704948 4.278428 5.917224 5.529275 2.400540 5.815819 0.000000 5.051560 7.698531 2.393749 4.079652 3.686291 3.511901 5.282316 4.785815 4.676376 4.966450 6.790440 5.929317 3.608695 6.074831 1.522050 0.000000 6.293878 8.757697 2.375838 3.229663 6.140379 1.151741 4.976633 5.161537 4.420890 4.433185 6.299619 6.551962 3.130252 7.024934 1.470641 2.500733 0.000000 4.111621 6.706232 2.763241 4.505618 2.426202 4.820933 5.218489 4.363969 4.621300 5.143980 6.706695 5.251862 3.865016 5.201609 2.499026 1.395877 3.754746 0.000000 6.384942 9.019603 3.622357 5.231602 4.160739 3.564404 6.450189 6.072509 5.969299 5.900230 7.955406 7.249679 4.858095 7.419715 2.550258 1.394179 2.882883 2.419732 0.000000 4.861809 7.267891 4.107374 5.893120 1.377066 5.865405 6.332658 5.390502 5.878239 6.177356 7.800045 6.111043 5.235880 5.947835 3.786125 2.408632 4.891066 1.392379 2.784913 0.000000 6.877836 9.434527 4.732228 6.461064 3.636859 4.901311 7.389267 6.850240 6.989214 6.836304 8.905178 7.892886 6.006202 7.952958 3.821853 2.409274 4.269510 2.784491 1.395392 2.402035 0.000000 6.236187 8.655316 4.935597 6.750210 2.361733 5.910099 7.345121 6.567068 6.959582 6.962401 8.842690 7.404099 6.172688 7.318422 4.313611 2.792408 5.109226 2.422092 2.421525 1.394461 1.390026 0.000000 3.852867 5.542605 4.932606 6.595149 1.385134 7.583566 6.103602 4.834071 5.820019 6.303422 7.350289 4.996922 5.746819 4.604030 5.253760 4.283097 6.534902 2.921013 5.040453 2.397440 4.747308 3.574431 0.000000 3.682266 4.986604 5.863333 7.219610 2.364259 8.716316 6.777971 5.367395 6.388159 7.225626 7.879124 5.159430 6.451826 4.448389 6.250414 5.406410 7.621777 4.010939 6.237932 3.558074 5.942318 4.719841 1.391277 0.000000 3.972431 5.311860 4.516193 6.372682 2.436014 7.239794 5.174612 4.033802 5.209952 5.254591 6.374733 4.293605 5.353264 4.245902 5.115533 4.317154 6.262286 3.137432 5.135063 2.943038 5.019723 4.049638 1.395635 2.423413 0.000000 3.611072 4.030861 6.355452 7.596694 3.644842 9.450498 6.629439 5.193000 6.389165 7.239043 7.515749 4.638260 6.760780 3.871941 7.003305 6.355932 8.363531 4.993242 7.309209 4.743875 7.129545 5.955841 2.404209 1.392799 2.790829 0.000000 3.896661 4.418045 5.140504 6.794590 3.689773 8.112616 4.983041 3.800454 5.211217 5.281384 5.924006 3.649316 5.721212 3.630600 6.012918 5.460774 7.149242 4.322639 6.396502 4.302006 6.383857 5.442026 2.404007 2.786380 1.392622 2.408464 0.000000 3.719825 3.678247 6.036571 7.397943 4.165671 9.180923 5.778641 4.447662 5.829850 6.345515 6.555427 3.852619 6.423852 3.415073 6.901382 6.383446 8.155238 5.126303 7.382593 5.048759 7.324068 6.262958 2.782537 2.418240 2.421205 1.393371 1.394238 0.000000 3.032277 4.492607 2.451308 3.907165 4.640102 5.663962 2.195046 1.085805 2.198676 2.719369 3.512657 2.164065 2.748278 2.835164 3.735984 3.965575 4.735441 3.432114 5.208951 4.373963 5.876154 5.533515 3.911987 4.629623 3.078059 4.646529 3.106883 3.963892 0.000000 3.700393 4.805734 3.287634 2.552120 7.142590 5.940392 2.221259 2.237695 1.082708 3.527311 2.658293 2.778553 2.116124 3.384503 4.494622 5.551688 5.190072 5.467534 6.867682 6.730688 7.908583 7.859107 6.544008 6.937057 6.025198 6.831498 5.901369 6.324224 3.089787 0.000000 5.326659 6.775860 2.365463 4.030525 5.954701 4.185427 2.178580 2.737631 2.853963 1.088136 3.489821 4.153358 2.954516 5.137826 3.452216 3.973422 3.655805 4.215550 4.846563 5.218205 5.757734 5.922666 5.606274 6.653068 4.627139 6.852544 4.918214 6.078896 2.443088 3.882401 0.000000 6.347483 7.457544 3.446097 4.240705 7.673891 4.541945 2.160305 3.467162 3.090927 1.093939 2.813254 4.755164 3.426977 5.911293 4.506403 5.401749 4.333871 5.813828 6.234657 6.917829 7.292940 7.599113 7.274004 8.222173 6.277708 8.284254 6.366613 7.423860 3.690962 3.812472 1.767264 0.000000 6.091494 6.784738 3.993187 5.296538 7.129532 5.733257 2.145526 3.093768 3.536105 1.094403 2.754953 4.152758 4.228290 5.383596 5.197188 5.687126 5.347945 5.744938 6.537507 6.614483 7.332662 7.370493 6.518854 7.437538 5.317312 7.331608 5.179161 6.287275 3.170939 4.346587 1.769772 1.768601 0.000000 6.222010 6.472543 4.856176 4.760573 8.935015 6.648940 2.155361 3.479073 3.045281 2.773671 1.093285 4.091238 4.141569 5.293269 6.150481 7.179504 6.299251 7.289948 8.274420 8.453225 9.325874 9.411852 8.233244 8.831600 7.268485 8.543092 6.919599 7.609587 4.332027 3.039420 3.789721 2.605660 3.073636 0.000000 5.034041 4.823841 4.952115 4.783002 8.385398 7.466207 2.184240 2.770231 2.696471 3.494612 1.092191 2.767065 4.120775 3.858104 6.341615 7.236586 6.869971 7.038427 8.489450 8.141620 9.428649 9.281533 7.512557 7.861023 6.654329 7.396410 6.100065 6.509934 3.824616 2.383221 4.339993 3.805325 3.773293 1.766311 0.000000 5.892229 5.637069 5.215445 5.681340 8.401598 7.489141 2.158055 3.074707 3.469245 2.804304 1.094856 3.337187 4.786805 4.644042 6.624171 7.340136 7.000680 7.171024 8.451086 8.140157 9.298734 9.164414 7.506782 8.034151 6.401215 7.556695 5.797135 6.451123 3.855989 3.664150 3.789110 3.195836 2.574502 1.768313 1.770354 0.000000 3.683661 2.824248 5.079855 5.567997 6.909845 8.215641 2.915253 2.227346 3.300011 4.153602 2.840525 1.084176 4.659374 2.068676 6.463102 6.886493 7.381397 6.233582 8.172928 7.039707 8.804100 8.307931 5.788685 5.900722 4.956949 5.190039 4.085607 4.224469 2.977826 3.343976 4.624500 4.978990 4.192553 3.912076 2.457269 2.836208 0.000000 4.790587 7.521956 2.065421 2.330496 5.260000 3.130030 4.982770 4.656693 3.904924 5.035834 6.324328 5.774993 2.484820 5.882910 1.094950 2.165139 2.078591 2.932533 3.139610 4.210951 4.350370 4.792913 5.622411 6.443989 5.686641 7.218116 6.548891 7.267166 4.264746 4.478840 4.335448 5.219943 6.018222 6.539942 6.590976 7.137998 6.761861 0.000000 3.045414 5.659056 2.474618 4.027705 2.678126 5.215274 4.562985 3.523223 3.860472 4.775581 5.989546 4.275772 3.311057 4.143987 2.687714 2.157157 4.091419 1.081415 3.402247 2.146994 3.865877 3.398974 2.687834 3.569308 2.831482 4.357245 3.774166 4.446233 2.670425 4.630907 4.001367 5.523615 5.398971 6.651993 6.202969 6.482800 5.293870 2.970293 0.000000 7.190784 9.832773 3.982647 5.366273 5.243439 2.907461 6.805293 6.638618 6.344617 6.130277 8.267280 7.914777 5.133525 8.180725 2.772511 2.156399 2.538677 3.403640 1.083030 3.867708 2.152250 3.399730 6.100606 7.302299 6.112637 8.344535 7.329327 8.361296 5.864171 7.219947 5.110174 6.280653 6.808895 8.450384 8.858214 8.802426 8.811212 3.328802 4.301654 0.000000 7.957886 10.504371 5.685451 7.367230 4.503290 5.339433 8.332903 7.871744 7.983379 7.668713 9.840883 8.944129 6.963177 9.029198 4.695492 3.390389 4.901098 3.868139 2.148410 3.384470 1.083648 2.143590 5.673029 6.854961 5.947034 8.068911 7.316851 8.275694 6.897225 8.912815 6.581958 8.056882 8.126037 10.213637 10.411599 10.212140 9.835872 5.208809 4.949524 2.472668 0.000000 6.929731 9.206657 5.974857 7.804189 2.558185 6.926735 8.247545 7.410831 7.921123 7.856582 9.723456 8.143907 7.205155 7.992932 5.395836 3.874953 6.168234 3.393721 3.411995 2.140409 2.165462 1.082815 3.823051 4.850676 4.416412 6.118298 5.782120 6.517620 6.354284 8.817475 6.827612 8.536676 8.174864 10.338491 10.155011 9.976635 9.012393 5.853624 4.279063 4.306176 2.495522 0.000000 4.134809 5.590938 6.436790 7.641677 2.556199 9.148701 7.629477 6.204698 7.082868 8.103337 8.756256 5.998035 7.004942 5.155086 6.640900 5.736834 8.039625 4.365914 6.479557 3.792299 6.087635 4.833134 2.136992 1.082962 3.394883 2.166627 3.869088 3.408730 5.486135 7.574162 7.486198 9.060105 8.391588 9.683235 8.688796 8.983507 6.788627 6.700711 4.023087 7.547575 6.947174 4.860532 0.000000 4.592942 6.095050 4.109797 6.185809 2.689113 6.507019 4.942189 4.050873 5.112645 4.721203 6.231763 4.640796 5.130601 4.846346 4.639082 3.793354 5.615057 2.859588 4.476717 2.729028 4.403464 3.623732 2.152537 3.401628 1.082824 3.873601 2.158155 3.405850 3.005918 6.050017 3.971284 5.690865 4.763289 7.026722 6.677646 6.250346 5.288522 5.375954 2.822963 5.386962 5.286497 4.081210 4.281403 0.000000 4.013009 3.969436 7.229982 8.271686 4.507483 10.379230 7.399753 5.938426 7.088423 8.135196 8.171817 5.182707 7.511768 4.237829 7.876140 7.278281 9.272415 5.910445 8.249874 5.660546 8.058149 6.858880 3.384722 2.144936 3.874515 1.083726 3.392547 2.151381 5.518091 7.402227 7.812123 9.171223 8.235182 9.216003 7.929952 8.217425 5.658394 7.991193 5.232910 9.288633 8.989370 6.969766 2.494268 4.957289 0.000000 4.474455 4.654838 5.244033 6.930024 4.572866 8.124131 4.561276 3.612162 5.102342 4.754720 5.365715 3.514143 5.783575 3.850127 6.259506 5.848632 7.248753 4.884953 6.770445 4.994700 6.856629 6.051722 3.385271 3.870591 2.143346 3.392768 1.084218 2.152389 3.042443 5.817961 4.532945 5.845645 4.462592 6.352616 5.643693 5.076186 3.721936 6.897873 4.359606 7.616368 7.759877 6.437176 4.953251 2.478663 4.291191 0.000000 4.184583 3.303803 6.723566 7.942214 5.248558 9.936742 5.994696 4.738393 6.168584 6.674010 6.534269 3.869239 6.963184 3.467325 7.712013 7.318906 8.933630 6.107939 8.363352 6.110449 8.361174 7.328192 3.865449 3.399367 3.401889 2.152424 2.153681 1.083010 4.468286 6.548650 6.571817 7.746964 6.516995 7.619717 6.396464 6.319299 3.977769 8.067700 5.362545 9.313286 9.316297 7.585607 4.306804 4.301067 2.481032 2.482652 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8654,-.1947,-1.695;4.647,.2176,-.8632;-1.6084,1.4391,-.218;-1.3369,2.8839,-1.9372;-.8964,-3.4989,.0131;-4.8248,2.4818,-.0278;.6206,3.0014,1.2049;1.1203,1.7246,.5965;.374,2.734,-.2872;-.5183,2.9352,2.206;1.6114,4.1155,1.4946;2.5531,1.4406,.3424;-.9234,2.4014,-.913;2.9663,.6054,-.6077;-2.8359,.9553,-.7962;-3.0029,-.4996,-.3814;-3.9495,1.815,-.3679;-1.8649,-1.3079,-.3715;-4.2488,-1.0356,-.0587;-1.9774,-2.646,-.0033;-4.3493,-2.387,.274;-3.2195,-3.1959,.3118;.3504,-3.0441,.4098;1.4505,-3.5628,-.2657;.5182,-2.1648,1.4805;2.7335,-3.1891,.127;1.8065,-1.7942,1.8577;2.9174,-2.3011,1.1848;.5295,.842,.822;.9808,3.3231,-.9632;-1.1911,2.1018,2.0141;-1.1041,3.8588,2.1834;-.1089,2.8225,3.2147;1.0979,5.0804,1.5139;2.4057,4.174,.7472;2.0768,3.9638,2.474;3.3093,1.8997,.9692;-2.7598,1.0389,-1.8853;-.8959,-.8965,-.6192;-5.1323,-.4092,-.0537;-5.3165,-2.8061,.5254;-3.276,-4.2414,.588;1.2852,-4.2439,-1.0914;-.3465,-1.7786,2.0055;3.5907,-3.5814,-.4076;1.9404,-1.1062,2.685;3.9161,-1.9988,1.4752; 0.1923488 0.1467967 0.0982113 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= 1279 RedAO= T EigKep= 1.09D-06 NBF= 1279 NBsUse= 1273 1.00D-06 EigRej= 9.35D-07 NBFU= 1273 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= 1431 1431 1431 1431 1431 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.95074953186 -2051.03484791610 -0.084098384236 -2051.03438893840 0.000458977700 -2051.03540364460 -0.001014706199 -2051.03544415636 -0.000040511764 -2051.03545170855 -0.000007552191 -2051.03545446323 -0.000002754672 -2051.03545466687 -0.000000203643 -2051.03545468700 -0.000000020136 -2051.03545468862 -0.000000001612 -2051.03545468835 0.000000000267 -2051.03545468859 -0.000000000236 -2051.03545468868 -0.000000000096 -2051.03545469 13 2.043686980155e+03 -1.076975935622e+04 3.699472997374e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1411365380 LenY= 1409270124 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. PT42215.600S 2024-10-10T07:38:05.000 -101.57869 -101.57812 -19.19536 -19.17946 -19.13095 -14.32939 -10.32243 -10.29931 -10.29714 -10.25631 -10.24992 -10.22401 -10.22376 -10.21689 -10.21420 -10.21174 -10.21089 -10.19674 -10.19495 -10.19239 -10.19165 -10.19135 -10.18920 -10.18886 -10.18532 -10.18466 -10.18306 -10.17675 -9.49319 -9.49299 -7.25735 -7.25701 -7.24822 -7.24810 -7.24796 -7.24769 -1.13195 -1.09636 -1.04550 -0.93291 -0.92624 -0.90735 -0.88770 -0.86984 -0.85040 -0.82082 -0.78493 -0.78054 -0.76597 -0.76351 -0.75103 -0.73599 -0.71391 -0.68121 -0.65711 -0.63535 -0.62529 -0.62218 -0.60621 -0.59142 -0.57102 -0.56528 -0.54989 -0.53210 -0.51902 -0.50810 -0.50582 -0.50338 -0.49947 -0.48850 -0.48522 -0.47407 -0.46798 -0.45929 -0.45565 -0.45366 -0.44178 -0.44022 -0.43251 -0.42480 -0.42141 -0.41784 -0.41288 -0.40712 -0.40444 -0.39600 -0.39344 -0.38498 -0.38406 -0.38027 -0.37605 -0.36982 -0.36221 -0.35770 -0.35542 -0.35215 -0.34470 -0.34326 -0.33944 -0.33753 -0.32624 -0.31955 -0.29515 -0.27949 -0.27378 -0.27189 -0.26214 -0.23984 -0.05063 -0.04737 -0.03523 -0.02846 -0.02577 -0.01633 -0.01514 -0.01293 -0.00427 -0.00043 0.00373 0.00612 0.01116 0.01180 0.01692 0.02095 0.02470 0.02977 0.03153 0.03416 0.03584 0.04249 0.04368 0.04432 0.04837 0.05746 0.05942 0.06255 0.06547 0.06822 0.07158 0.07617 0.07983 0.07999 0.08555 0.08775 0.09091 0.09280 0.09466 0.09855 0.10059 0.10223 0.10447 0.10597 0.11088 0.11270 0.11609 0.11913 0.12147 0.12452 0.12516 0.12718 0.12762 0.13071 0.13563 0.13605 0.13817 0.14004 0.14552 0.14701 0.14832 0.15045 0.15289 0.15614 0.15841 0.15877 0.16284 0.16588 0.16702 0.16903 0.17305 0.17662 0.17748 0.17901 0.18069 0.18343 0.18568 0.18813 0.19015 0.19366 0.19601 0.19680 0.19899 0.20216 0.20479 0.20813 0.20888 0.21096 0.21139 0.21314 0.21727 0.21847 0.22103 0.22419 0.22518 0.22723 0.22873 0.22949 0.23190 0.23586 0.23633 0.23899 0.23996 0.24199 0.24506 0.24547 0.24924 0.25249 0.25365 0.25584 0.25852 0.26094 0.26409 0.26473 0.26599 0.26988 0.27042 0.27200 0.27376 0.27498 0.27929 0.28051 0.28401 0.28534 0.28689 0.28874 0.29347 0.29594 0.30097 0.30190 0.30383 0.30567 0.30920 0.31199 0.31611 0.32151 0.32325 0.32401 0.32463 0.33163 0.33221 0.33368 0.33723 0.33922 0.34339 0.34582 0.34964 0.35025 0.35362 0.35561 0.35946 0.36227 0.36651 0.36837 0.36967 0.37305 0.38109 0.38166 0.38389 0.38658 0.38926 0.39515 0.39775 0.40103 0.40330 0.40644 0.40750 0.41076 0.41633 0.41797 0.41840 0.42201 0.42715 0.42950 0.43217 0.43585 0.43911 0.44013 0.44237 0.44609 0.44872 0.45369 0.45940 0.46472 0.46587 0.46711 0.46911 0.47349 0.47758 0.48033 0.48782 0.49214 0.49483 0.49638 0.50243 0.50593 0.50913 0.51174 0.51477 0.51867 0.52097 0.52487 0.52802 0.53307 0.53753 0.53810 0.54064 0.54173 0.54721 0.54843 0.55224 0.55483 0.55732 0.55977 0.56159 0.56252 0.56495 0.56853 0.57248 0.57314 0.57850 0.57931 0.58425 0.58489 0.58983 0.59015 0.59441 0.59494 0.59649 0.59909 0.60390 0.60531 0.60607 0.60747 0.61003 0.61146 0.61763 0.61813 0.62685 0.62876 0.63511 0.63673 0.63785 0.64253 0.64496 0.64805 0.65100 0.65539 0.65817 0.66092 0.66421 0.66624 0.67331 0.67594 0.67709 0.67814 0.68353 0.68638 0.69005 0.69463 0.69892 0.70574 0.70808 0.70842 0.71337 0.71711 0.71948 0.72890 0.73192 0.73363 0.73620 0.73985 0.74343 0.74647 0.75002 0.75520 0.75729 0.75982 0.76273 0.77007 0.77130 0.77536 0.78079 0.78383 0.79069 0.79337 0.79548 0.80018 0.80504 0.80880 0.81720 0.81910 0.82219 0.82654 0.82747 0.83119 0.83433 0.83734 0.84451 0.84853 0.85205 0.85264 0.86068 0.86724 0.87282 0.87675 0.88082 0.88501 0.88795 0.89240 0.89655 0.90371 0.91055 0.91262 0.91631 0.92088 0.92551 0.93075 0.93391 0.93532 0.94245 0.94496 0.95058 0.95563 0.96003 0.96649 0.97006 0.97392 0.98312 0.98758 0.99651 0.99862 1.00864 1.01249 1.01756 1.02305 1.02438 1.02853 1.03398 1.04384 1.04695 1.04950 1.05439 1.06434 1.06498 1.07000 1.07664 1.08151 1.08392 1.08815 1.09242 1.09664 1.10118 1.10517 1.10770 1.11480 1.12477 1.12594 1.12915 1.13035 1.13843 1.14112 1.14324 1.14636 1.15335 1.15565 1.15796 1.16172 1.16298 1.16783 1.17104 1.17630 1.17972 1.18293 1.18450 1.19068 1.19143 1.19895 1.20168 1.20497 1.21259 1.21462 1.21578 1.21914 1.22096 1.22585 1.23066 1.23391 1.23782 1.23971 1.24370 1.24678 1.25019 1.25488 1.25624 1.26361 1.26409 1.26932 1.27212 1.27508 1.27613 1.28459 1.28907 1.29342 1.29982 1.30235 1.30352 1.31097 1.31485 1.31932 1.32165 1.32385 1.32610 1.33161 1.33504 1.33972 1.34224 1.34446 1.35078 1.35551 1.35907 1.36046 1.36472 1.36727 1.37308 1.37362 1.37669 1.38607 1.38777 1.39037 1.39281 1.39490 1.39683 1.40080 1.40424 1.40925 1.41443 1.41672 1.41889 1.42194 1.42773 1.43073 1.43388 1.44022 1.44451 1.44581 1.44949 1.45149 1.45405 1.45710 1.46225 1.46874 1.47256 1.47858 1.48139 1.48749 1.49433 1.49898 1.50255 1.50531 1.50828 1.51361 1.51751 1.51832 1.52519 1.53437 1.53777 1.54522 1.54875 1.55100 1.55428 1.55982 1.56371 1.57283 1.58057 1.58379 1.58737 1.58918 1.59239 1.59641 1.59851 1.60667 1.61383 1.61604 1.62172 1.63274 1.63523 1.63821 1.64299 1.65256 1.66133 1.66481 1.66940 1.67316 1.68178 1.68855 1.69677 1.69799 1.71474 1.72160 1.72356 1.73463 1.74190 1.74673 1.75509 1.76115 1.76539 1.76898 1.77923 1.78475 1.79101 1.80191 1.80799 1.81065 1.81480 1.82606 1.83250 1.83548 1.84235 1.84709 1.85341 1.86225 1.86980 1.87593 1.87715 1.88470 1.89237 1.91064 1.91728 1.92146 1.93093 1.93902 1.94681 1.95494 1.95900 1.96270 1.96387 1.97703 1.97949 1.98481 1.99291 1.99901 2.00755 2.01562 2.03256 2.03322 2.03898 2.04425 2.04759 2.05187 2.05755 2.06834 2.07288 2.07716 2.08856 2.09615 2.09935 2.10626 2.11333 2.11834 2.11988 2.12601 2.13155 2.13683 2.14029 2.14625 2.15535 2.15960 2.16496 2.16916 2.17309 2.18532 2.18899 2.19026 2.19997 2.20907 2.21371 2.22080 2.23840 2.24174 2.25773 2.25980 2.27696 2.28200 2.29227 2.31061 2.31258 2.32843 2.33729 2.34187 2.34975 2.36734 2.37544 2.38981 2.39535 2.40074 2.40478 2.40677 2.40945 2.42566 2.42927 2.43727 2.43821 2.44611 2.45115 2.45179 2.45862 2.47505 2.47924 2.48592 2.49340 2.50145 2.50608 2.51394 2.51859 2.53316 2.53832 2.54521 2.55034 2.57418 2.59355 2.61442 2.61962 2.63268 2.64617 2.65418 2.65741 2.66751 2.69111 2.70447 2.71734 2.72231 2.73834 2.74960 2.76465 2.77288 2.77612 2.78178 2.78684 2.80141 2.80287 2.80912 2.81343 2.81880 2.82602 2.83129 2.83534 2.84031 2.84410 2.84732 2.85982 2.86530 2.87120 2.87668 2.88232 2.88723 2.89145 2.89264 2.89855 2.90396 2.90824 2.91917 2.91959 2.92521 2.92945 2.94010 2.94452 2.95267 2.95793 2.95873 2.97148 2.97192 2.97414 2.98637 2.98757 2.99122 3.00568 3.00847 3.01543 3.01829 3.02712 3.03011 3.03853 3.04273 3.05091 3.05862 3.06689 3.06858 3.07520 3.07975 3.08277 3.09206 3.09535 3.10005 3.10121 3.11254 3.12567 3.12747 3.13696 3.13981 3.14282 3.16122 3.16601 3.17386 3.18161 3.18556 3.19309 3.19806 3.19896 3.20840 3.21206 3.21554 3.22096 3.23020 3.23633 3.23948 3.24612 3.25263 3.25646 3.25991 3.26476 3.26771 3.27709 3.28626 3.29039 3.30509 3.30554 3.30802 3.31943 3.32290 3.32651 3.33006 3.33749 3.34464 3.34997 3.35765 3.37042 3.37321 3.38241 3.38416 3.39041 3.40087 3.40818 3.41349 3.41660 3.41946 3.42443 3.42761 3.43418 3.44227 3.44727 3.45187 3.45786 3.46959 3.48066 3.48844 3.49294 3.51141 3.51487 3.52028 3.52350 3.52770 3.54097 3.54425 3.55534 3.56041 3.56849 3.57124 3.58728 3.59139 3.59564 3.59597 3.60441 3.61301 3.62047 3.62920 3.64064 3.64718 3.65122 3.66197 3.66632 3.66961 3.67232 3.67824 3.68764 3.69292 3.69841 3.70083 3.70480 3.72170 3.73170 3.73782 3.74672 3.74896 3.75933 3.77006 3.77464 3.78484 3.78787 3.79566 3.79988 3.81586 3.81941 3.82953 3.83253 3.84319 3.85441 3.86953 3.87500 3.89819 3.90088 3.90406 3.90594 3.92192 3.93840 3.94288 3.97702 3.98371 3.98598 3.99726 4.00737 4.01158 4.02116 4.03471 4.06429 4.09895 4.10362 4.11769 4.14704 4.15303 4.16542 4.17234 4.18618 4.19303 4.20064 4.20449 4.20575 4.21444 4.22696 4.23405 4.24786 4.25498 4.26439 4.26574 4.27429 4.29117 4.29993 4.30645 4.31556 4.31880 4.32296 4.32844 4.34090 4.34270 4.34650 4.34966 4.35240 4.35909 4.36666 4.37195 4.37597 4.38739 4.39542 4.39927 4.40185 4.40755 4.41126 4.42837 4.43076 4.43951 4.45184 4.46167 4.46751 4.46883 4.47625 4.48163 4.49134 4.49824 4.50170 4.50807 4.51568 4.52497 4.53356 4.53811 4.54180 4.55561 4.55815 4.56942 4.57043 4.57953 4.58218 4.58972 4.59576 4.59933 4.62598 4.64038 4.64386 4.66672 4.67206 4.68388 4.69463 4.71835 4.73359 4.74186 4.75846 4.76340 4.77636 4.79916 4.81593 4.81811 4.83052 4.84331 4.84977 4.86881 4.88568 4.92453 4.93261 4.95842 4.98092 4.99466 5.01186 5.05377 5.07016 5.10065 5.14811 5.15895 5.16315 5.18139 5.19110 5.20368 5.21569 5.24904 5.25848 5.26619 5.27063 5.28575 5.30018 5.31612 5.32396 5.32906 5.34419 5.35104 5.37836 5.39594 5.41038 5.46211 5.46533 5.47753 5.48928 5.50618 5.51824 5.53334 5.54147 5.55596 5.56717 5.58977 5.62829 5.65694 5.67225 5.68986 5.70630 5.71731 5.76187 5.76533 5.78060 5.78464 5.80346 5.81325 5.82866 5.84359 5.85808 5.86645 5.89182 5.91258 5.91457 5.93406 5.94415 5.95405 5.97277 5.98191 5.98715 5.99979 6.00604 6.03264 6.11634 6.14749 6.19138 6.20739 6.25276 6.36185 6.47731 6.53566 6.58525 6.64268 6.68665 6.77309 6.88055 6.90924 7.04678 7.06491 7.08789 7.10728 7.11666 7.11735 7.13422 7.14797 7.15422 7.16831 7.17807 7.18243 7.19108 7.19301 7.21211 7.21635 7.23843 7.24105 7.27080 7.27355 7.28517 7.29040 7.29639 7.30482 7.31457 7.32725 7.33449 7.34773 7.35022 7.35992 7.36561 7.37880 7.38915 7.40994 7.43054 7.43739 7.44432 7.44635 7.45049 7.46663 7.46905 7.47152 7.48587 7.48974 7.50671 7.53414 7.54661 7.55571 7.56868 7.58492 7.59482 7.61057 7.62614 7.63293 7.65885 7.67396 7.68993 7.69829 7.70578 7.71538 7.75438 7.77707 7.81416 7.84761 7.85878 7.86070 7.89105 7.89185 7.91164 7.93662 7.94143 7.95125 7.95570 7.96289 7.97490 7.97598 8.01212 8.01588 8.02533 8.04924 8.05969 8.09647 8.09970 8.10696 8.13566 8.16563 8.17565 8.18914 8.24025 8.27435 8.28752 8.29446 8.29512 8.30854 8.32035 8.34984 8.39547 8.44863 8.45415 8.48190 8.52067 8.57016 8.57953 8.60981 8.68678 8.71492 8.72785 8.90666 9.02716 9.37351 9.39247 10.05172 10.13781 10.20956 10.21722 10.89383 10.91160 11.18375 14.41098 14.45316 14.47480 14.47847 14.49097 14.50756 14.59913 14.62116 14.69880 14.81147 14.95993 15.08566 15.10353 15.10960 15.22111 23.99322 24.03123 24.07389 24.32301 24.42944 24.55410 24.59323 24.63547 24.75913 24.96321 24.96889 24.97361 24.97923 25.14027 25.26703 25.37517 25.38559 25.40169 25.40839 25.70666 25.79315 25.80773 26.22705 26.49755 26.65690 26.91918 27.96602 28.46684 37.02288 50.24060 50.29133 50.51086 216.07091 216.17240 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.696920 -0.713360 -0.370825 -0.683255 -0.820130 -1.075081 0.847415 0.256955 -0.179416 -0.520270 -0.333224 -0.477288 0.249779 0.929316 0.537362 0.720862 0.521472 -0.622554 -0.314584 0.350700 -0.049891 -0.337954 0.714931 -0.350840 -0.280582 -0.145157 -0.013349 -0.164389 0.217147 0.142990 0.204002 0.153605 0.141004 0.149579 0.159079 0.150102 0.149969 0.203444 0.244358 0.154077 0.138437 0.146428 0.145620 0.150083 0.133790 0.122547 0.114017 -0.00000 3.3102 -1.5983 2.4968 4.4437 -185.9754 -182.2804 -179.4617 20.6314 2.3418 10.2195 -3.4029 0.2921 3.1108 20.6314 2.3418 10.2195 100.6972 2.4909 -4.9631 61.5441 -98.8948 0.4766 15.3801 -1.2835 13.3105 14.1305 -8018.6232 -5950.3850 -1419.3135 466.6628 7.8923 229.3057 146.1433 -14.4622 55.7418 -2387.5951 -1552.0176 -1279.7570 -16.3018 -97.9529 18.8309 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CIBELES02 APULGAR 2024-10-10T00:00:00.000 0 Single Point Cypermethrin-theta CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2051.0354547 RMSD=3.688e-09 Dipole=1.4556257,0.5178677,-0.8182147 Quadrupole=-3.0227319,2.1467913,0.8759406,-16.3141158,-0.9504069,5.2566964 PG=C01 [X(C22H19Cl2N1O3)] 0 1.5988014434 0.2055557956 1.9898755016 0 4.4578482332 -0.3349598206 1.6247283128 0 -1.6685943842 -1.4644704821 0.1316212029 0 -1.7074994235 -2.7708308774 1.9777709991 0 -0.7607099433 3.4214340966 -0.3666872099 0 -4.8541851693 -2.4468958362 -0.4648310351 0 0.6933069746 -3.1864051432 -0.8117582897 0 1.139891533 -1.8759554419 -0.2341713078 0 0.2354358256 -2.7934620414 0.6005257357 0 -0.2797898312 -3.1760235268 -1.9764945107 0 1.6775160571 -4.3421370999 -0.8611324387 0 2.527313296 -1.6044646516 0.2122183551 0 -1.1288957879 -2.3823296098 0.994425448 0 2.8220703172 -0.7044097626 1.1471918403 0 -2.9514944064 -0.9079849248 0.4776735954 0 -3.004358854 0.5118564584 -0.0681217167 0 -4.0172801637 -1.774459406 -0.0477859592 0 -1.8506097837 1.2910102293 0.0331483195 0 -4.1687263666 1.047682174 -0.6166425727 0 -1.8606571913 2.5970637093 -0.4493905845 0 -4.1717244693 2.3696191767 -1.0633997602 0 -3.0218923361 3.147313649 -0.990943852 0 0.5150286808 2.9082274042 -0.5331365982 0 1.5187310463 3.4551993469 0.2599935264 0 0.8110317222 1.9415181789 -1.4952449605 0 2.8324478161 3.0223078533 0.0967652075 0 2.1277970658 1.5128029786 -1.6426490331 0 3.1421334558 2.0475717624 -0.8495263662 0 0.6202167423 -1.0015094446 -0.6139807254 0 0.7134725553 -3.3393015786 1.4041405031 0 -0.9447041758 -2.3149755655 -1.9535737411 0 -0.8937694776 -4.0814046845 -1.9723962495 0 0.2797380514 -3.154626983 -2.9168074895 0 1.1398003983 -5.2937688572 -0.8841728646 0 2.3483666532 -4.3576174239 0.0006106176 0 2.2892282583 -4.2807476715 -1.7670849781 0 3.3526499417 -2.1295844978 -0.2552285428 0 -3.0422889018 -0.9047310414 1.5688480288 0 -0.9444106055 0.8794591871 0.4560985914 0 -5.0625116861 0.4428881994 -0.7078923136 0 -5.0753824835 2.7884620949 -1.4903267616 0 -3.0004170274 4.1679537631 -1.3519444277 0 1.2551417575 4.2044433929 0.9961737094 0 0.0219367996 1.5335092405 -2.1144095907 0 3.6128538423 3.4373970499 0.7237659198 0 2.3603404841 0.7572302392 -2.3846481313 0 4.1620037661 1.7005515881 -0.9606697771