Gaussian 16 GINC-BELVIS10 APULGAR Optimization famoxadone CONF111 water EM64L-G16RevC.01 7-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 46 46 98 98 724 (5D, 7F) 6-311+G(d,p) 132 132 C1[X(C22H18N2O4)] C1[X(C22H18N2O4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1642,-2.3601,1.1376;2.6035,-.7522,-1.9229;3.2695,-1.0343,2.5617;-3.7008,-.9107,-.7669;3.1147,-.56,.3058;3.7323,.6549,.3183;1.7598,-2.3309,-.2398;.2822,-1.9992,-.3343;2.5309,-1.1429,-.7895;2.1491,-3.6371,-.9011;2.8832,-1.2876,1.4597;-.4726,-1.6829,.7905;-.3257,-1.9498,-1.5863;-1.8049,-1.3185,.6715;-1.6498,-1.5682,-1.7163;-2.3866,-1.2457,-.5858;2.9302,1.7568,-.0297;3.5369,2.8612,-.6233;1.5651,1.786,.2462;-4.254,.1069,-.0284;2.7835,3.9805,-.9386;.8203,2.9082,-.0882;1.419,4.011,-.6803;-3.55,1.2628,.2887;-5.5829,-.0402,.3439;-4.1891,2.2687,.9998;-6.2117,.9804,1.0431;-5.5178,2.1346,1.3808;3.2167,-3.824,-.7903;1.9179,-3.6075,-1.9635;1.5945,-4.4606,-.4545;-.0439,-1.7206,1.782;.2314,-2.1907,-2.4819;4.6316,.6272,-.1469;-2.3742,-1.0889,1.5629;-2.1079,-1.5174,-2.6956;4.5978,2.8398,-.8441;1.0669,.949,.7205;3.2683,4.83,-1.4018;-.2418,2.9133,.1226;.8314,4.8815,-.9386;-2.5169,1.3881,-.0116;-6.1198,-.9439,.0839;-3.6398,3.1667,1.2511;-7.2484,.8646,1.3312;-6.0085,2.9245,1.9334; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6500081/Gau-1721640.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6500081/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization famoxadone CONF111 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 16 16 14 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 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 2 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 -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 1 2 3 4 4 5 5 5 6 6 7 7 7 8 8 10 10 10 12 12 13 13 14 14 15 15 17 17 18 18 19 19 20 20 21 21 22 22 23 24 24 25 25 26 26 27 27 28 7 11 9 11 16 20 6 9 11 17 34 8 9 10 12 13 29 30 31 14 32 15 33 16 35 16 36 18 19 21 37 22 38 24 25 23 39 23 40 41 26 42 27 43 28 44 28 45 46 1.4358 1.3307 1.2011 1.1949 1.3683 1.3737 1.363 1.3712 1.3836 1.4066 1.0129 1.5173 1.5192 1.515 1.391 1.3926 1.0895 1.0877 1.0886 1.3863 1.0809 1.3841 1.0819 1.3873 1.0823 1.3874 1.0823 1.3928 1.3931 1.3857 1.0838 1.3878 1.0833 1.3901 1.3878 1.389 1.0822 1.3874 1.0828 1.0816 1.3877 1.0832 1.3877 1.0829 1.3887 1.0823 1.3885 1.0822 1.0817 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 7 16 6 6 9 5 5 17 1 1 1 8 8 9 7 7 12 2 2 5 7 7 7 29 29 30 1 1 3 8 8 14 8 8 15 12 12 16 13 13 16 4 4 14 6 6 18 17 17 21 17 17 22 4 4 24 18 18 23 19 19 23 21 21 22 20 20 26 20 20 27 24 24 28 25 25 28 26 26 27 1 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 11 20 9 11 11 17 34 34 8 9 10 9 10 10 12 13 13 5 7 7 29 30 31 30 31 31 3 5 5 14 32 32 15 33 33 16 35 35 16 36 36 14 15 15 18 19 19 21 37 37 22 38 38 24 25 25 23 39 39 23 40 40 22 41 41 26 42 42 27 43 43 28 44 44 28 45 45 27 46 46 111.5932 119.8055 125.3918 122.4746 111.7997 115.9538 111.9458 114.4646 109.787 102.7089 109.1995 107.5053 114.3025 112.6945 121.8516 119.2677 118.816 126.1377 128.7935 105.0406 110.817 110.3806 110.0106 108.1958 109.1329 108.2399 124.6604 108.2 127.1268 120.7861 121.2386 117.9735 120.7889 120.7612 118.44 119.6392 119.3811 120.9786 119.7046 120.1946 120.1003 122.3789 117.333 120.2405 118.5655 121.7485 119.6473 120.0403 119.8392 120.119 119.6773 121.4099 118.9127 122.3203 116.8314 120.787 120.6312 119.202 120.1622 120.9276 118.894 120.1783 119.0685 120.4575 120.4739 119.1032 121.0637 119.833 119.4129 119.9188 120.6677 120.7454 119.1253 120.1285 120.4945 119.3076 120.1957 119.4497 120.2449 120.3051 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 11 11 11 7 7 20 20 16 16 9 9 11 11 6 6 11 11 6 6 9 9 5 5 34 34 1 1 9 9 10 10 1 1 8 8 10 10 1 1 1 8 8 8 9 9 9 7 7 13 13 7 7 12 12 8 8 32 32 8 8 33 33 12 12 35 35 13 13 36 36 6 6 19 19 6 6 18 18 17 17 37 37 17 17 38 38 4 4 25 25 4 4 24 24 18 18 39 39 19 19 40 40 20 20 42 42 20 20 43 43 24 24 44 44 25 25 45 45 1 1 1 1 1 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 7 7 7 11 11 16 16 20 20 6 6 6 6 9 9 9 9 11 11 11 11 17 17 17 17 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 25 23 23 23 23 23 23 23 23 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 28 8 9 10 3 5 14 15 24 25 17 34 17 34 2 7 2 7 1 3 1 3 18 19 18 19 12 13 12 13 12 13 2 5 2 5 2 5 29 30 31 29 30 31 29 30 31 14 32 14 32 15 33 15 33 16 35 16 35 16 36 16 36 4 15 4 15 4 14 4 14 21 37 21 37 22 38 22 38 23 39 23 39 23 40 23 40 26 42 26 42 27 43 27 43 22 41 22 41 21 41 21 41 28 44 28 44 28 45 28 45 27 46 27 46 26 46 26 46 -105.9529 8.1786 128.0024 175.2499 -5.9748 41.8711 -140.634 37.8781 -144.9525 60.5093 -73.3337 -112.3026 113.8545 8.9705 -169.2338 -177.5578 4.238 174.4947 -6.7688 0.8021 179.5386 -151.0464 31.2256 -18.3508 163.9213 4.4156 -178.5456 -106.6002 70.4387 127.504 -55.4571 174.6506 -7.2101 -69.5637 108.5756 57.2815 -124.5792 -55.9816 -175.8252 64.7916 -179.3873 60.7692 -58.614 57.4797 -62.3638 178.253 176.7618 -3.7288 -0.29 179.2194 -175.8942 2.9424 1.2351 -179.9283 -1.1288 179.2434 179.3462 -0.2816 -0.7499 178.9856 -179.6129 0.1225 179.0488 1.6248 -1.3295 -178.7535 -178.246 -0.6948 2.0182 179.5694 -177.8905 2.5421 -0.1135 -179.681 178.5087 -1.3776 0.8048 -179.0815 -0.6207 -179.8419 178.9455 -0.2757 -0.7795 179.3698 179.1097 -0.741 177.8139 -2.0831 0.7542 -179.1429 -177.336 2.3817 -0.1204 179.5974 0.6499 -179.2492 179.8635 -0.0355 0.0532 179.9522 179.902 -0.199 -0.6492 179.6939 179.2491 -0.4077 -0.6311 179.9046 179.6533 0.189 -0.0866 -179.8923 179.5668 -0.2389 0.7339 -179.4605 -179.8065 -0.001 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 752 A 724 A 1152 752 2528.3904204200 46 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= 724 RedAO= T EigKep= 1.11D-06 NBF= 724 NBsUse= 721 1.00D-06 EigRej= 9.85D-07 NBFU= 721 Berny optimization. local minimum Step number 24 out of a maximum of 257 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00102 0.00455 0.00553 0.00719 0.00936 0.01233 0.01619 0.01803 0.01905 0.01954 0.02076 0.02166 0.02206 0.02224 0.02230 0.02236 0.02236 0.02240 0.02243 0.02244 0.02245 0.02248 0.02249 0.02250 0.02252 0.02254 0.02256 0.02260 0.02261 0.02269 0.02282 0.02295 0.02347 0.02379 0.02505 0.02621 0.03487 0.04862 0.05428 0.05879 0.05929 0.07019 0.08692 0.12522 0.13516 0.15517 0.15670 0.15960 0.15980 0.15992 0.15997 0.15999 0.16001 0.16002 0.16012 0.16022 0.16057 0.16061 0.16083 0.16159 0.16184 0.16491 0.16597 0.20615 0.21798 0.21980 0.21993 0.22047 0.22102 0.22922 0.23210 0.23512 0.23836 0.24500 0.24647 0.24778 0.24880 0.24994 0.25234 0.25410 0.29391 0.30663 0.30931 0.32586 0.33189 0.34894 0.34993 0.35151 0.35506 0.35567 0.35644 0.35669 0.35708 0.35720 0.35726 0.35729 0.35753 0.35790 0.35804 0.35817 0.35875 0.36321 0.36720 0.40137 0.42998 0.43175 0.43192 0.43433 0.43478 0.44457 0.45523 0.46236 0.46637 0.47148 0.47364 0.47504 0.47563 0.47662 0.47717 0.47767 0.47881 0.48014 0.48278 0.49009 0.49381 0.50823 0.54883 0.55456 0.62042 0.83023 1.04931 1.09025 -2.34866426e-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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 2.77323 2.54104 2.28402 2.27457 2.63355 2.63300 2.61737 2.61399 2.63752 2.69305 1.91893 2.88262 2.89271 2.87005 2.64298 2.64290 2.06228 2.05980 2.06117 2.62772 2.04386 2.63130 2.04534 2.62853 2.04669 2.62562 2.04663 2.64299 2.64151 2.63107 2.05026 2.63517 2.04633 2.63622 2.63356 2.63929 2.04885 2.63491 2.04823 2.04779 2.63595 2.04530 2.63335 2.04757 2.63612 2.04909 2.63893 2.04869 2.04785 1.94108 2.05910 2.18651 2.13602 1.95350 2.01712 1.92757 1.98646 1.91166 1.78700 1.89017 1.86922 2.02203 1.96892 2.11216 2.08431 2.08189 2.19920 2.24298 1.84038 1.91573 1.91983 1.90854 1.89935 1.91481 1.90552 2.17163 1.89199 2.21950 2.10315 2.10334 2.07662 2.10250 2.10399 2.07610 2.08309 2.10671 2.09295 2.08286 2.11119 2.08888 2.10403 2.06678 2.11203 2.06550 2.12183 2.09469 2.09073 2.08894 2.10351 2.08768 2.10750 2.08798 2.13923 2.03147 2.11173 2.10462 2.08126 2.09726 2.10719 2.07871 2.09729 2.08143 2.10100 2.10075 2.07750 2.10578 2.09989 2.08232 2.08315 2.11771 2.10676 2.07743 2.09900 2.10301 2.08291 2.09724 2.08499 2.09919 2.09900 -1.84249 0.13689 2.22059 3.05621 -0.09707 1.06901 -2.10075 0.44616 -2.73685 1.12467 -1.16176 -1.87818 2.11858 0.16776 -2.93843 -3.10006 0.07693 3.02827 -0.12543 0.00868 3.13817 -2.68493 0.50842 -0.42686 2.76649 0.20796 -3.03979 -1.71749 1.31795 2.35165 -0.89609 3.05408 -0.12411 -1.21862 1.88638 1.02646 -2.15173 -0.96925 -3.05860 1.13211 -3.12422 1.06961 -1.02286 0.99589 -1.09346 3.09726 3.01732 -0.11073 -0.01827 3.13687 -3.00946 0.09477 0.02783 3.13206 -0.01580 -3.12576 3.11245 0.00249 -0.00315 3.11375 -3.10797 0.00894 -3.12927 0.04123 -0.01905 -3.13174 3.13811 -0.03178 0.02089 3.13418 -3.08814 0.05822 0.00253 -3.13429 3.09266 -0.05562 0.00368 3.13858 -0.00596 -3.13840 3.13082 -0.00161 -0.00657 3.13560 -3.14155 0.00062 3.10843 -0.03687 0.01012 -3.13518 -3.10478 0.03987 -0.00391 3.14075 0.00311 -3.13513 3.13547 -0.00278 0.00319 3.14144 -3.13898 -0.00074 -0.00843 3.13741 3.13685 -0.00049 -0.00412 -3.13888 3.13435 -0.00042 0.00061 3.14140 3.13790 -0.00450 0.00575 -3.13505 3.14046 -0.00034 0.00000 0.00001 0.00000 0.00000 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 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 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -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 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00010 0.00009 -0.00005 -0.00005 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -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 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 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 0.00001 0.00003 0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00002 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 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 0.00001 0.00001 0.00001 -0.00001 -0.00007 -0.00007 -0.00014 -0.00014 0.00011 0.00014 0.00007 0.00010 -0.00002 -0.00003 0.00001 0.00000 0.00004 0.00002 0.00001 -0.00001 -0.00006 -0.00003 -0.00009 -0.00006 0.00011 0.00008 0.00011 0.00008 0.00010 0.00008 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 0.00003 0.00003 0.00003 0.00003 0.00004 0.00003 0.00003 0.00003 0.00003 -0.00004 -0.00002 -0.00001 0.00001 0.00003 0.00003 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00002 -0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00002 -0.00003 -0.00000 0.00000 0.00003 0.00001 0.00000 0.00001 0.00000 0.00001 0.00002 -0.00002 -0.00001 0.00001 0.00003 0.00001 0.00003 -0.00001 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00001 0.00000 0.00001 -0.00002 -0.00002 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 0.00001 0.00000 0.00002 0.00001 0.00001 0.00002 0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 0.00001 0.00001 0.00001 -0.00001 0.00003 0.00003 -0.00019 -0.00020 0.00010 0.00014 0.00006 0.00010 -0.00002 -0.00003 0.00002 0.00001 0.00003 0.00001 -0.00000 -0.00002 -0.00003 -0.00001 -0.00008 -0.00006 0.00010 0.00007 0.00010 0.00007 0.00009 0.00006 -0.00002 -0.00001 -0.00003 -0.00002 -0.00002 -0.00001 0.00002 0.00003 0.00002 0.00003 0.00003 0.00002 0.00002 0.00003 0.00002 -0.00004 -0.00002 -0.00001 0.00001 0.00003 0.00003 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00002 0.00002 -0.00001 -0.00001 -0.00003 -0.00001 0.00000 0.00002 0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00003 0.00001 0.00003 -0.00000 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00002 -0.00002 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 0.00001 0.00000 0.00002 0.00001 2.77324 2.54107 2.28402 2.27457 2.63355 2.63299 2.61739 2.61400 2.63751 2.69307 1.91894 2.88262 2.89270 2.87006 2.64297 2.64291 2.06228 2.05980 2.06117 2.62772 2.04387 2.63130 2.04534 2.62852 2.04669 2.62563 2.04663 2.64299 2.64151 2.63108 2.05026 2.63517 2.04633 2.63621 2.63358 2.63929 2.04885 2.63491 2.04823 2.04779 2.63596 2.04530 2.63334 2.04757 2.63612 2.04909 2.63894 2.04870 2.04785 1.94107 2.05911 2.18651 2.13602 1.95350 2.01710 1.92755 1.98645 1.91166 1.78701 1.89016 1.86921 2.02204 1.96893 2.11215 2.08432 2.08189 2.19920 2.24299 1.84038 1.91572 1.91983 1.90854 1.89935 1.91481 1.90552 2.17162 1.89199 2.21951 2.10315 2.10334 2.07661 2.10250 2.10399 2.07611 2.08308 2.10671 2.09296 2.08286 2.11120 2.08887 2.10403 2.06678 2.11203 2.06551 2.12183 2.09469 2.09074 2.08894 2.10350 2.08768 2.10750 2.08798 2.13924 2.03146 2.11173 2.10462 2.08126 2.09726 2.10719 2.07872 2.09728 2.08143 2.10101 2.10075 2.07751 2.10579 2.09988 2.08232 2.08314 2.11771 2.10676 2.07742 2.09900 2.10301 2.08292 2.09724 2.08499 2.09920 2.09900 -1.84247 0.13690 2.22060 3.05623 -0.09707 1.06904 -2.10072 0.44597 -2.73705 1.12477 -1.16162 -1.87812 2.11868 0.16775 -2.93846 -3.10004 0.07694 3.02830 -0.12541 0.00868 3.13815 -2.68496 0.50841 -0.42694 2.76643 0.20805 -3.03972 -1.71739 1.31802 2.35174 -0.89603 3.05406 -0.12412 -1.21864 1.88636 1.02644 -2.15174 -0.96923 -3.05858 1.13213 -3.12420 1.06964 -1.02284 0.99592 -1.09343 3.09728 3.01728 -0.11074 -0.01828 3.13688 -3.00943 0.09479 0.02783 3.13206 -0.01579 -3.12575 3.11244 0.00248 -0.00314 3.11376 -3.10796 0.00894 -3.12927 0.04123 -0.01905 -3.13174 3.13810 -0.03180 0.02088 3.13417 -3.08812 0.05824 0.00252 -3.13431 3.09264 -0.05563 0.00368 3.13860 -0.00595 -3.13840 3.13084 -0.00161 -0.00656 3.13561 -3.14156 0.00061 3.10843 -0.03684 0.01012 -3.13515 -3.10479 0.03986 -0.00392 3.14073 0.00311 -3.13514 3.13548 -0.00278 0.00318 3.14144 -3.13900 -0.00074 -0.00843 3.13742 3.13683 -0.00050 -0.00411 -3.13889 3.13436 -0.00042 0.00060 3.14139 3.13788 -0.00451 0.00576 -3.13504 3.14047 -0.00033 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000002 0.000736 0.000175 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.134510e-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 1 2 3 4 4 5 5 5 6 6 7 7 7 8 8 10 10 10 12 12 13 13 14 14 15 15 17 17 18 18 19 19 20 20 21 21 22 22 23 24 24 25 25 26 26 27 27 28 7 11 9 11 16 20 6 9 11 17 34 8 9 10 12 13 29 30 31 14 32 15 33 16 35 16 36 18 19 21 37 22 38 24 25 23 39 23 40 41 26 42 27 43 28 44 28 45 46 1.4675 1.3447 1.2087 1.2037 1.3936 1.3933 1.3851 1.3833 1.3957 1.4251 1.0155 1.5254 1.5308 1.5188 1.3986 1.3986 1.0913 1.09 1.0907 1.3905 1.0816 1.3924 1.0823 1.391 1.0831 1.3894 1.083 1.3986 1.3978 1.3923 1.085 1.3945 1.0829 1.395 1.3936 1.3967 1.0842 1.3943 1.0839 1.0836 1.3949 1.0823 1.3935 1.0835 1.395 1.0843 1.3965 1.0841 1.0837 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 7 16 6 6 9 5 5 17 1 1 1 8 8 9 7 7 12 2 2 5 7 7 7 29 29 30 1 1 3 8 8 14 8 8 15 12 12 16 13 13 16 4 4 14 6 6 18 17 17 21 17 17 22 4 4 24 18 18 23 19 19 23 21 21 22 20 20 26 20 20 27 24 24 28 25 25 28 26 26 27 1 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 11 20 9 11 11 17 34 34 8 9 10 9 10 10 12 13 13 5 7 7 29 30 31 30 31 31 3 5 5 14 32 32 15 33 33 16 35 35 16 36 36 14 15 15 18 19 19 21 37 37 22 38 38 24 25 25 23 39 39 23 40 40 22 41 41 26 42 42 27 43 43 28 44 44 28 45 45 27 46 46 111.2158 117.9779 125.2779 122.3852 111.9271 115.5724 110.4415 113.816 109.53 102.3877 108.2986 107.0985 115.8538 112.8111 121.018 119.4223 119.2833 126.0049 128.5133 105.446 109.763 109.9979 109.3513 108.8248 109.7107 109.1783 124.425 108.4031 127.168 120.5016 120.5125 118.9815 120.4643 120.5499 118.9519 119.352 120.7058 119.9175 119.3391 120.9622 119.6837 120.552 118.4175 121.0104 118.3446 121.572 120.0169 119.7903 119.6872 120.522 119.6154 120.7511 119.6323 122.5686 116.3947 120.9934 120.586 119.2476 120.1642 120.733 119.1014 120.1656 119.2569 120.3787 120.3641 119.0323 120.6524 120.315 119.3081 119.356 121.3357 120.7083 119.0277 120.2636 120.4938 119.3421 120.1629 119.4613 120.275 120.2637 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 11 11 11 7 7 20 20 16 16 9 9 11 11 6 6 11 11 6 6 9 9 5 5 34 34 1 1 9 9 10 10 1 1 8 8 10 10 1 1 1 8 8 8 9 9 9 7 7 13 13 7 7 12 12 8 8 32 32 8 8 33 33 12 12 35 35 13 13 36 36 6 6 19 19 6 6 18 18 17 17 37 37 17 17 38 38 4 4 25 25 4 4 24 24 18 18 39 39 19 19 40 40 20 20 42 42 20 20 43 43 24 24 44 44 25 25 45 1 1 1 1 1 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 7 7 7 11 11 16 16 20 20 6 6 6 6 9 9 9 9 11 11 11 11 17 17 17 17 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 25 23 23 23 23 23 23 23 23 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 8 9 10 3 5 14 15 24 25 17 34 17 34 2 7 2 7 1 3 1 3 18 19 18 19 12 13 12 13 12 13 2 5 2 5 2 5 29 30 31 29 30 31 29 30 31 14 32 14 32 15 33 15 33 16 35 16 35 16 36 16 36 4 15 4 15 4 14 4 14 21 37 21 37 22 38 22 38 23 39 23 39 23 40 23 40 26 42 26 42 27 43 27 43 22 41 22 41 21 41 21 41 28 44 28 44 28 45 28 45 27 46 27 46 26 46 26 -105.5669 7.8431 127.2302 175.1081 -5.5617 61.2499 -120.364 25.5629 -156.81 64.4386 -66.5639 -107.6119 121.3856 9.6122 -168.3596 -177.6204 4.4079 173.5069 -7.1865 0.4975 179.8042 -153.835 29.1303 -24.4572 158.5082 11.915 -174.1671 -98.4048 75.5131 134.7397 -51.3424 174.986 -7.1109 -69.8215 108.0815 58.8116 -123.2853 -55.534 -175.2451 64.8652 -179.0048 61.2841 -58.6056 57.0605 -62.6506 177.4597 172.8795 -6.3442 -1.0467 179.7295 -172.4295 5.4297 1.5948 179.454 -0.9052 -179.0931 178.3304 0.1424 -0.1807 178.405 -178.0738 0.512 -179.294 2.3622 -1.0915 -179.4353 179.8007 -1.8209 1.1966 179.575 -176.9373 3.3358 0.145 -179.5819 177.1965 -3.1869 0.2106 179.8272 -0.3415 -179.817 179.383 -0.0924 -0.3764 179.6564 -179.9974 0.0355 178.1001 -2.1123 0.5797 -179.6327 -177.8911 2.2846 -0.2239 179.9518 0.1784 -179.6299 179.6491 -0.1592 0.1828 179.9911 -179.8504 -0.0421 -0.4831 179.7606 179.7285 -0.0278 -0.2359 -179.8447 179.5849 -0.024 0.0349 179.9891 179.7883 -0.2576 0.3292 -179.6249 179.9349 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0508176132 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1642,-2.3601,1.1376;2.6035,-.7522,-1.9229;3.2695,-1.0343,2.5617;-3.7008,-.9107,-.7669;3.1147,-.56,.3058;3.7323,.6549,.3183;1.7598,-2.3309,-.2398;.2822,-1.9992,-.3343;2.5309,-1.1429,-.7895;2.1491,-3.6371,-.9011;2.8832,-1.2876,1.4597;-.4726,-1.6829,.7905;-.3257,-1.9498,-1.5863;-1.8048,-1.3185,.6715;-1.6498,-1.5683,-1.7163;-2.3865,-1.2457,-.5858;2.9302,1.7568,-.0297;3.5369,2.8612,-.6233;1.5651,1.786,.2462;-4.254,.1069,-.0284;2.7835,3.9805,-.9386;.8203,2.9082,-.0882;1.419,4.011,-.6803;-3.55,1.2628,.2887;-5.5829,-.0402,.3439;-4.1891,2.2687,.9998;-6.2117,.9804,1.0431;-5.5178,2.1346,1.3808;3.2167,-3.824,-.7904;1.9179,-3.6075,-1.9635;1.5945,-4.4606,-.4545;-.0439,-1.7206,1.782;.2314,-2.1907,-2.4819;4.6316,.6272,-.1469;-2.3742,-1.0889,1.5629;-2.1079,-1.5174,-2.6956;4.5978,2.8398,-.8441;1.0669,.9491,.7205;3.2683,4.83,-1.4018;-.2418,2.9133,.1226;.8314,4.8815,-.9386;-2.5169,1.3881,-.0116;-6.1198,-.9439,.0839;-3.6398,3.1667,1.2511;-7.2484,.8646,1.3311;-6.0085,2.9245,1.9334; 0.000000 3.484923 0.000000 2.237668 4.542504 0.000000 6.334457 6.411286 7.725206 0.000000 2.198952 2.294603 2.310397 6.908229 0.000000 3.495771 2.876956 2.846188 7.673252 1.362994 0.000000 1.435813 2.457042 3.436340 5.666757 2.295527 3.621816 0.000000 2.416347 3.076832 4.271040 4.151606 3.240988 4.401548 1.517297 0.000000 2.308552 1.201069 3.433287 6.236007 1.371198 2.429564 1.519235 2.448879 0.000000 2.405685 3.094089 4.474406 6.455415 3.443447 4.734448 1.514958 2.547414 2.525698 0.000000 1.330724 3.436071 1.194888 6.960441 1.383622 2.407759 2.288819 3.238830 2.281164 3.410613 0.000000 2.744383 4.205998 4.190571 3.666431 3.790001 4.834186 2.542566 1.391000 3.436352 3.681512 3.444590 0.000000 3.713149 3.182382 5.564967 3.625176 4.165031 5.184494 2.511489 1.392603 3.073435 3.072705 4.473615 2.396162 0.000000 4.129811 5.146303 5.422383 2.414479 4.991041 5.888871 3.815987 2.414692 4.578606 4.845901 4.753903 1.386310 2.771955 0.000000 4.828912 4.335746 6.541069 2.353779 5.273091 6.168360 3.793016 2.414170 4.303248 4.401891 5.541979 2.771815 1.384065 2.405845 0.000000 4.992122 5.189532 6.476270 1.368266 5.615014 6.470674 4.299923 2.784457 4.922706 5.137175 5.652941 2.397624 2.396572 1.387283 1.387391 0.000000 4.347180 3.160014 3.823739 7.185335 2.348250 1.406575 4.257171 4.605722 3.024093 5.519396 3.389534 4.907491 5.173250 5.689462 5.905675 6.131244 0.000000 5.678581 3.951781 5.038894 8.162847 3.570162 2.406668 5.501195 5.856654 4.131903 6.650635 4.688112 6.222829 6.244393 6.905112 6.907714 7.207996 1.392846 0.000000 4.282903 3.496495 4.027489 6.002301 2.812224 2.445652 4.150064 4.038660 3.253316 5.573829 3.557647 4.059749 4.570438 4.601629 5.043587 5.049614 1.393074 2.408378 0.000000 6.974159 7.166058 8.038269 1.373718 7.406354 8.012583 6.492561 5.010657 6.940923 7.468580 7.422829 4.263002 4.699852 2.918911 3.526681 2.372299 7.371278 8.284878 6.062729 0.000000 6.700534 4.837341 6.134897 8.123990 4.719627 3.679594 6.432012 6.509933 5.131868 7.644121 5.789200 6.757674 6.727184 7.191985 7.144763 7.359813 2.406770 1.385685 2.775653 8.084560 0.000000 5.573492 4.465910 5.344579 5.956935 4.177123 3.704353 5.324892 4.943031 4.453089 6.728184 4.925102 4.849993 5.211309 5.033277 5.365725 5.271298 2.404390 2.769238 1.387807 5.796547 2.393108 0.000000 6.667063 5.063050 6.276095 7.102295 4.974076 4.196545 6.366281 6.126539 5.273598 7.686025 5.898964 6.177488 6.276553 6.373660 6.451238 6.490260 2.790729 2.410575 2.414569 6.917384 1.389026 1.387419 0.000000 6.818975 6.842280 7.546463 2.421038 6.909506 7.307686 6.433377 5.071020 6.627799 7.609574 7.018685 4.289516 4.922660 3.139356 3.955526 2.900223 6.506850 7.321985 5.141956 1.390100 7.000378 4.684990 5.760418 0.000000 8.125799 8.524142 9.179896 2.352461 8.713121 9.341054 7.713774 6.220668 8.266399 8.618099 8.629859 5.386361 5.916902 4.001855 4.695609 3.540367 8.708682 9.618925 7.378151 1.387793 9.370493 7.062584 8.153932 2.415208 0.000000 7.861851 7.987887 8.305411 3.669926 7.863089 8.112746 7.621148 6.323568 7.745885 8.869330 7.929414 5.428772 6.277640 4.319777 5.342987 4.256095 7.211563 7.916874 5.823336 2.394721 7.436682 5.165917 6.108097 1.387722 2.775524 0.000000 9.017908 9.460712 9.811085 3.627254 9.481399 9.975628 8.726640 7.276374 9.181444 9.747001 9.382609 6.331994 7.081222 4.984291 5.909372 4.715978 9.237312 10.067241 7.858854 2.396517 9.687120 7.378678 8.389367 2.780857 1.387712 2.398419 0.000000 8.903589 9.230511 9.415537 4.145892 9.106901 9.427704 8.690794 7.325987 8.957305 9.864148 9.071574 6.354217 7.241776 5.119875 6.185869 5.009886 8.573269 9.302253 7.181601 2.773903 8.814616 6.551909 7.475797 2.413446 2.410212 1.388717 1.388470 0.000000 2.639688 3.330869 4.361324 7.505934 3.444629 4.642819 2.157573 3.485559 2.767385 1.089456 3.406950 4.549075 4.085950 5.799175 5.443217 6.171376 5.639670 6.694910 5.939223 8.476112 7.817954 7.180457 8.039299 8.533996 9.645533 9.755587 10.739551 10.793995 0.000000 3.351691 2.936768 5.378249 6.346139 3.983633 5.164027 2.150822 2.813584 2.797915 1.087739 4.246437 4.123434 2.814976 5.103071 4.116772 5.099418 5.791392 6.801575 5.839288 7.458817 7.705731 6.868519 7.741879 7.660989 8.620385 8.978081 9.807027 9.972234 1.763572 0.000000 2.696559 4.114171 4.862274 6.382749 4.254779 5.597827 2.146835 2.791954 3.463487 1.088623 3.923317 3.679452 3.357480 4.764070 4.525896 5.118786 6.373409 7.576904 6.285828 7.432994 8.538182 7.418454 8.476376 7.731544 8.467161 8.991596 9.632450 9.871695 1.774674 1.763389 0.000000 2.387386 4.655311 3.472329 4.530507 3.674542 4.695188 2.777221 2.159321 3.684457 3.959915 2.976377 1.080890 3.387769 2.120357 3.852318 3.364557 4.921356 6.292844 4.152515 4.933813 6.920846 5.066621 6.407285 4.839837 5.964252 5.805974 6.773717 6.707263 4.655368 4.630066 3.897896 0.000000 4.106684 2.829881 6.000353 4.476807 4.329334 5.309819 2.717073 2.156665 3.041289 2.875517 4.835611 3.385512 1.081945 3.853686 2.124278 3.367767 5.373924 6.316794 5.003503 5.605201 6.854099 5.663526 6.566325 5.822601 6.812938 7.179789 7.999681 8.165932 3.800089 2.262751 3.334801 4.298511 0.000000 4.081882 3.028261 3.457213 8.495771 1.978780 1.012876 4.123916 5.084376 2.821252 4.991611 3.050335 5.680498 5.769559 6.773725 6.836611 7.277012 2.045577 2.532946 3.301658 8.901653 3.909887 4.442153 4.696275 8.217845 10.247999 9.045113 10.914090 10.373808 4.714799 5.347677 5.933307 5.576074 5.723143 0.000000 4.732199 6.086122 5.731638 2.686874 5.655758 6.471407 4.677794 3.388874 5.440243 5.746725 5.262131 2.136730 3.854146 1.082341 3.392307 2.154467 6.226673 7.438011 5.051392 2.737825 7.652334 5.376642 6.740094 2.921792 3.589034 3.858047 4.390718 4.506263 6.654070 6.099231 5.584699 2.424362 4.935927 7.412806 0.000000 5.801230 4.835248 7.535797 2.573890 6.099180 6.921691 4.653150 3.394147 5.029102 5.082917 6.498446 3.854094 2.143306 3.386499 1.082292 2.145302 6.573398 7.438425 5.749517 3.789194 7.565678 5.912576 6.860242 4.326087 4.847240 5.685157 6.087436 6.448332 6.107540 4.594730 5.233877 4.934564 2.443707 7.517736 4.288207 0.000000 6.073560 4.247780 5.326601 9.107062 3.883404 2.621797 5.929259 6.503903 4.487480 6.924595 5.028202 6.988244 6.908826 7.783458 7.695720 8.095613 2.148689 1.083800 3.390679 9.299954 2.145215 3.852990 3.391615 8.375982 10.646650 8.996409 11.129387 10.381328 6.805637 7.071299 7.903622 7.017011 6.859548 2.320101 8.356860 8.208504 0.000000 3.511154 3.498940 3.489271 5.329345 2.577317 2.711528 3.487174 3.228144 2.966418 4.983345 2.974515 3.049958 3.957751 3.659399 4.433451 4.295327 2.164999 3.400429 1.083315 5.438984 3.858625 2.133853 3.385463 4.647703 6.733485 5.426338 7.285800 6.723070 5.448516 5.356345 5.560867 3.080193 4.561942 3.682786 4.087082 5.275632 4.299997 0.000000 7.704831 5.645728 7.078107 9.051318 5.656135 4.539270 7.409766 7.529582 6.049356 8.555432 6.764715 7.824193 7.675669 8.236436 8.076116 8.340056 3.382511 2.134148 3.857820 8.987717 1.082212 3.378038 2.147361 7.878546 10.252228 8.242569 10.519786 9.602198 8.675723 8.563337 9.487563 8.001053 7.725215 4.593147 8.698290 8.418198 2.457548 4.940831 0.000000 5.884438 5.070964 5.819042 5.232474 4.833507 4.575052 5.624835 4.961441 4.997212 7.047817 5.403706 4.650171 5.155219 4.544472 5.044613 4.732739 3.379655 3.851962 2.133215 4.898657 3.378938 1.082785 2.146560 3.700826 6.107284 4.094671 6.342162 5.479561 7.627913 7.178881 7.620937 4.925974 5.749576 5.389647 4.758051 5.572699 4.935701 2.434787 4.279950 0.000000 7.650271 5.987247 7.293343 7.356595 6.030897 5.278092 7.305396 6.928991 6.261315 8.619997 6.929564 6.912390 6.958750 6.926879 6.954136 6.929762 3.872297 3.391319 3.394702 7.034679 2.149953 2.148679 1.081585 5.813565 8.185950 5.982395 8.291563 7.296335 9.027564 8.619386 9.385679 7.194080 7.263420 5.759097 7.223479 7.257516 4.285217 4.274569 2.481040 2.480254 0.000000 6.105885 5.869563 6.780250 2.693830 5.967432 6.300650 5.672120 4.406027 5.700108 6.914895 6.203588 3.775394 4.292116 2.880850 3.521092 2.698826 5.459600 6.260417 4.109389 2.158586 5.972751 3.667891 4.776794 1.083168 3.400955 2.143494 3.863929 3.391367 7.787593 6.959402 7.162915 4.358521 5.144276 7.190146 2.938519 3.976524 7.308840 3.684066 6.873662 2.742312 4.926852 0.000000 8.469944 8.953150 9.711107 2.564497 9.245085 9.983699 8.007232 6.501832 8.696918 8.752044 9.113940 5.739002 6.113300 4.370844 4.859173 3.804833 9.445079 10.403422 8.156946 2.144263 10.225647 7.939369 9.053641 3.393443 1.082920 3.858419 2.152086 3.394407 9.809647 8.711509 8.495158 6.356370 6.962465 10.868037 4.029602 4.914200 11.403703 7.459045 11.121199 7.030691 9.126868 4.292837 0.000000 8.015294 8.025635 8.191755 4.549939 7.772096 7.843916 7.848730 6.677065 7.798394 9.188931 7.901511 5.810575 6.724047 4.880629 5.931802 4.941132 6.840618 7.423792 5.477882 3.372990 6.834894 4.664043 5.480403 2.135223 3.857801 1.082297 3.381984 2.146798 10.002505 9.333403 9.406591 6.090877 7.591069 8.764708 4.450796 6.313791 8.506179 5.230017 7.584596 3.589520 5.265634 2.453362 4.940680 0.000000 9.951476 10.500514 10.758476 4.487645 10.510613 11.029232 9.686344 8.227052 10.205911 10.656492 10.358381 7.259008 8.022148 5.901940 6.822744 5.636081 10.307838 11.141304 8.927625 3.374658 10.747014 8.443590 9.437621 3.863018 2.137073 3.382369 1.082183 2.147191 11.661954 10.717933 10.475829 7.667541 8.934287 11.973905 5.256161 6.950694 12.205097 8.338093 11.566880 7.399325 9.304264 4.946091 2.469824 4.281103 0.000000 9.764873 10.126926 10.106810 5.227481 9.900652 10.131228 9.627466 8.304138 9.842715 10.846021 9.850261 7.292536 8.272897 6.104623 7.245969 6.070912 9.225936 9.882084 7.842286 3.855619 9.309228 7.121749 7.948533 3.392681 3.390741 2.147549 2.147962 1.081721 11.750136 10.985477 10.864999 7.561537 9.197676 11.082263 5.427067 7.508149 10.964239 7.445458 10.040529 6.044348 7.672137 4.281922 4.289315 2.476828 2.478602 0.000000 C22H18N2O4 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 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3207,-2.1308,1.3305;2.7959,-.5849,-1.7565;3.2252,-.6708,2.7649;-3.5276,-1.2577,-.941;3.1601,-.2809,.4886;3.6699,.9831,.4917;1.995,-2.1791,-.0671;.5024,-1.9807,-.2537;2.6921,-.9457,-.6156;2.5318,-3.4659,-.6595;2.9258,-.9903,1.6531;-.34,-1.6973,.8163;-.0347,-2.0227,-1.5379;-1.6895,-1.4544,.6121;-1.3769,-1.7624,-1.7534;-2.2021,-1.471,-.6769;2.798,1.9996,.0617;3.3412,3.1341,-.5365;1.4217,1.918,.2616;-4.2073,-.2702,-.2702;2.5141,4.1733,-.9319;.6042,2.9602,-.1524;1.1395,4.0924,-.7496;-3.624,.9519,.0436;-5.5378,-.5213,.034;-4.3864,1.9194,.6828;-6.2906,.4614,.6613;-5.7184,1.6815,.9953;3.6034,-3.5555,-.4843;2.3602,-3.4891,-1.7334;2.0249,-4.3207,-.215;.0328,-1.6671,1.8305;.5915,-2.2414,-2.3927;4.5935,1.0198,.0776;-2.3266,-1.2483,1.4624;-1.7807,-1.7816,-2.7573;4.4109,3.1987,-.6983;.9705,1.0556,.7374;2.9504,5.0473,-1.3977;-.4647,2.8789,-.0001;.4955,4.9,-1.0702;-2.5898,1.1576,-.2041;-5.9798,-1.476,-.2228;-3.9311,2.8692,.9318;-7.3284,.2644,.8963;-6.3057,2.4421,1.4921; 0.2582328 0.1208528 0.0954834 -19.19847 -19.17352 -19.14328 -19.13912 -14.42066 -14.37832 -10.35846 -10.31567 -10.27613 -10.24418 -10.24176 -10.22414 -10.19675 -10.18468 -10.18435 -10.18015 -10.17958 -10.17791 -10.17755 -10.17674 -10.17638 -10.17636 -10.17535 -10.17483 -10.17470 -10.17294 -10.17142 -10.16856 -1.17414 -1.10024 -1.09916 -1.07545 -1.04519 -0.90506 -0.88272 -0.86482 -0.85184 -0.82419 -0.77279 -0.76315 -0.75659 -0.75606 -0.75161 -0.73402 -0.69943 -0.66590 -0.65994 -0.63962 -0.63158 -0.62639 -0.61745 -0.60037 -0.59095 -0.56745 -0.55775 -0.55595 -0.53472 -0.50908 -0.50380 -0.50022 -0.49120 -0.48890 -0.48186 -0.48046 -0.45825 -0.45279 -0.44962 -0.44757 -0.44378 -0.43800 -0.43378 -0.43168 -0.42867 -0.42502 -0.42024 -0.40988 -0.40562 -0.40248 -0.39215 -0.38425 -0.37353 -0.36843 -0.36675 -0.36434 -0.35104 -0.34816 -0.34326 -0.33746 -0.33476 -0.32998 -0.32160 -0.30250 -0.27185 -0.26480 -0.26393 -0.26201 -0.23349 -0.22892 -0.04820 -0.03025 -0.02075 -0.01786 -0.01345 -0.01062 -0.00374 0.00204 0.01062 0.01589 0.02230 0.02292 0.02796 0.03024 0.03559 0.03818 0.04241 0.04571 0.04647 0.04859 0.05370 0.05538 0.05988 0.06315 0.06529 0.06793 0.07265 0.07535 0.08032 0.08353 0.08941 0.09037 0.09541 0.09835 0.10042 0.10274 0.10677 0.10937 0.11131 0.11935 0.12059 0.12167 0.12499 0.12702 0.12998 0.13251 0.13515 0.13630 0.13926 0.14058 0.14269 0.14876 0.14897 0.14985 0.15223 0.15534 0.15785 0.16038 0.16297 0.16522 0.16896 0.17134 0.17488 0.17989 0.18315 0.18583 0.18913 0.19105 0.19277 0.19395 0.19676 0.19855 0.20111 0.20310 0.20413 0.20893 0.21099 0.21253 0.21422 0.21528 0.21898 0.22023 0.22078 0.22324 0.22541 0.22874 0.23048 0.23288 0.23517 0.23598 0.23742 0.24040 0.24292 0.24539 0.24781 0.25000 0.25227 0.25286 0.25459 0.25968 0.26337 0.26423 0.26814 0.27219 0.27393 0.27594 0.27624 0.27821 0.28114 0.28441 0.28746 0.29123 0.29262 0.29442 0.29835 0.30024 0.30288 0.30576 0.30726 0.31087 0.31294 0.31622 0.31729 0.31997 0.32553 0.32772 0.33161 0.33549 0.33700 0.34040 0.34398 0.34583 0.34802 0.35171 0.35285 0.35710 0.36199 0.36563 0.36605 0.37091 0.37207 0.38232 0.38705 0.38967 0.39426 0.39682 0.39847 0.40498 0.40972 0.41496 0.41847 0.41903 0.42493 0.43366 0.43953 0.44860 0.45663 0.46765 0.47021 0.47330 0.48235 0.48966 0.49856 0.50350 0.51173 0.51747 0.52811 0.53028 0.53434 0.53654 0.54042 0.54581 0.55293 0.55614 0.55931 0.56203 0.56567 0.57113 0.57365 0.57947 0.58113 0.58549 0.59219 0.59636 0.59982 0.60755 0.61214 0.61816 0.62145 0.62709 0.63102 0.63807 0.64238 0.64833 0.64982 0.65487 0.66324 0.66669 0.67400 0.67509 0.67806 0.68469 0.68743 0.69384 0.69733 0.70414 0.70754 0.71220 0.71400 0.71600 0.71940 0.72729 0.72816 0.73121 0.73264 0.73609 0.74045 0.74239 0.75168 0.75394 0.75921 0.76174 0.76364 0.76921 0.77472 0.78155 0.78627 0.79710 0.80353 0.80817 0.81130 0.81892 0.82234 0.82846 0.83240 0.83763 0.83870 0.84381 0.84800 0.85423 0.85740 0.85966 0.86158 0.86628 0.87049 0.88261 0.89482 0.89644 0.90296 0.90965 0.91686 0.92073 0.92552 0.93271 0.93674 0.94322 0.95036 0.95073 0.95562 0.97376 0.97654 0.98379 0.98658 0.99982 1.00734 1.01527 1.02316 1.02916 1.03176 1.04026 1.04392 1.05131 1.05643 1.05929 1.06392 1.06867 1.07453 1.08612 1.08944 1.09033 1.10310 1.10629 1.10766 1.11793 1.13265 1.13733 1.13959 1.14244 1.14985 1.15792 1.16505 1.17113 1.17634 1.18104 1.19638 1.21586 1.22225 1.22994 1.24983 1.25052 1.27573 1.28673 1.29210 1.29971 1.30856 1.31465 1.32338 1.33385 1.34335 1.35116 1.36324 1.37670 1.38616 1.40565 1.42026 1.42411 1.43238 1.44717 1.46431 1.47711 1.48922 1.50868 1.51470 1.51563 1.52373 1.52740 1.53364 1.53767 1.54094 1.55443 1.56255 1.56436 1.57092 1.57453 1.57647 1.57851 1.58003 1.58540 1.59109 1.60139 1.60437 1.61091 1.61251 1.61810 1.62679 1.64037 1.65563 1.66119 1.66642 1.67023 1.67392 1.67949 1.68690 1.70040 1.70510 1.72069 1.72184 1.72980 1.73419 1.74818 1.75289 1.75807 1.76206 1.78632 1.78962 1.79570 1.79678 1.80177 1.80500 1.81091 1.82437 1.83069 1.83715 1.84267 1.85213 1.85501 1.86849 1.88701 1.89786 1.90298 1.91036 1.91766 1.92753 1.92878 1.93258 1.93596 1.94555 1.95166 1.95337 1.96203 1.96743 1.96838 1.97838 1.98178 1.98908 1.99703 2.00146 2.00945 2.01114 2.01352 2.02609 2.02963 2.03196 2.03683 2.04503 2.05912 2.06306 2.07488 2.08434 2.08936 2.09398 2.10472 2.10781 2.12265 2.12490 2.13371 2.14660 2.15126 2.17233 2.19462 2.21249 2.23852 2.26336 2.28105 2.28881 2.30515 2.33107 2.34704 2.35268 2.35859 2.36433 2.38270 2.40332 2.41041 2.41157 2.41422 2.43248 2.44315 2.44539 2.45498 2.45765 2.48355 2.49923 2.50445 2.51012 2.52980 2.56366 2.57833 2.60271 2.62510 2.63610 2.63784 2.64600 2.65090 2.65340 2.66426 2.66784 2.68527 2.69317 2.70202 2.70451 2.70845 2.71127 2.71951 2.72149 2.72639 2.73042 2.74009 2.74083 2.75858 2.76172 2.76872 2.77283 2.77595 2.77766 2.79051 2.80035 2.80442 2.80973 2.82362 2.82532 2.82656 2.83485 2.84056 2.84494 2.85418 2.85889 2.86594 2.87357 2.88089 2.88619 2.89086 2.89956 2.90847 2.91175 2.92071 2.92675 2.93805 2.94254 2.94568 2.95819 2.96392 2.97331 2.98048 2.98674 3.01074 3.04178 3.04212 3.05437 3.08329 3.09745 3.10533 3.12190 3.12716 3.13080 3.14739 3.15610 3.19074 3.19284 3.21920 3.22184 3.23884 3.25348 3.25614 3.28337 3.32677 3.35166 3.35512 3.37258 3.38046 3.38691 3.39729 3.40128 3.44076 3.46081 3.46995 3.51138 3.51533 3.52075 3.53367 3.53807 3.54878 3.56374 3.56956 3.59854 3.61161 3.64341 3.66082 3.67658 3.69833 3.72431 3.79850 3.83373 3.83703 3.85671 3.87849 3.97343 3.99077 3.99778 4.01154 4.02497 4.02841 4.04159 4.05970 4.09842 4.12460 4.13615 4.15892 4.16774 4.16918 4.17937 4.19826 4.21293 4.23809 4.25606 4.36175 4.38091 4.85547 4.85766 4.86448 4.86808 4.92609 5.09171 5.12801 5.13827 5.14890 5.17037 5.23248 5.34898 5.44848 5.47484 5.75064 5.83011 5.90934 5.95803 23.59659 23.62791 23.63060 23.80996 23.89417 23.92386 23.95426 23.97246 23.97978 23.98298 23.98853 23.99146 23.99648 24.08617 24.09491 24.09620 24.11885 24.12221 24.13108 24.21183 24.21942 24.22304 35.52212 35.58975 49.93604 49.98747 50.00593 50.07914 1-A. -0.4827 -0.4414 -2.3878 2.4758 -145.2059 -148.0159 -182.8821 -5.0674 -19.6534 3.6681 13.4954 10.6854 -24.1808 -5.0674 -19.6534 3.6681 34.4450 2.2984 -40.8513 38.0339 17.5906 -8.2585 -57.2729 -10.3197 -31.8362 -8.2945 -8681.0956 -4072.6552 -1372.2570 90.5406 -407.3556 -93.9712 -71.8703 -69.6306 57.8418 -2176.6141 -2153.9139 -929.1178 46.4491 -126.8012 14.4331 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3551,-2.4841,1.0045;2.4145,-.6785,-2.0182;3.4546,-1.114,2.4189;-3.7152,-1.1675,-.4044;3.0823,-.5479,.1901;3.5816,.7435,.2275;1.8376,-2.4251,-.3675;.3279,-2.2091,-.3343;2.4653,-1.1346,-.9;2.3136,-3.6615,-1.1102;3.0086,-1.3541,1.3271;-.3233,-1.8532,.8512;-.3975,-2.2436,-1.5295;-1.6721,-1.5155,.8415;-1.7456,-1.8955,-1.5474;-2.3665,-1.5161,-.3637;2.6141,1.7812,.0929;3.0286,3.0123,-.4256;1.2944,1.6114,.5211;-4.0713,.1159,.0048;2.1237,4.067,-.5106;.3962,2.6736,.4236;.8021,3.9052,-.0889;-3.1873,1.1937,-.0495;-5.3871,.2877,.4304;-3.6339,2.4559,.3418;-5.8208,1.5562,.8109;-4.9473,2.645,.7722;3.4016,-3.7278,-1.0571;2.0153,-3.6053,-2.1571;1.8684,-4.5486,-.6579;.2175,-1.8243,1.7874;.0878,-2.5077,-2.4602;4.3727,.8363,-.4023;-2.1761,-1.2252,1.7552;-2.3086,-1.8946,-2.4726;4.0524,3.1361,-.7627;.9601,.6626,.9219;2.4536,5.0166,-.9167;-.6266,2.5311,.7529;.099,4.7266,-.1621;-2.1681,1.0551,-.3865;-6.0514,-.5678,.4614;-2.9456,3.2929,.3033;-6.8437,1.69,1.1445;-5.2868,3.6286,1.0747; 0.000000 3.521412 0.000000 2.255408 4.578198 0.000000 6.369217 6.357385 7.705888 0.000000 2.222866 2.310825 2.329529 6.851583 0.000000 3.539164 2.903096 2.875543 7.569351 1.385055 0.000000 1.467532 2.471478 3.478243 5.693571 2.320455 3.665537 0.000000 2.444845 3.087394 4.307638 4.175746 3.259082 4.429485 1.525415 0.000000 2.336813 1.208650 3.463359 6.200439 1.383266 2.458624 1.530754 2.458287 0.000000 2.420718 3.119706 4.499622 6.562320 3.460707 4.775110 1.518767 2.579556 2.540183 0.000000 1.344663 3.464129 1.203652 6.945675 1.395715 2.436640 2.321636 3.267592 2.302902 3.427462 0.000000 2.755924 4.136249 4.156524 3.681306 3.706631 4.730757 2.545928 1.398604 3.370375 3.750979 3.402485 0.000000 3.749088 3.255071 5.630720 3.664812 4.235798 5.276698 2.525647 1.398563 3.133986 3.088054 4.533508 2.413624 0.000000 4.145265 5.057538 5.378932 2.418191 4.895454 5.751669 3.821970 2.421543 4.505151 4.929532 4.708599 1.390527 2.788633 0.000000 4.865601 4.359891 6.586694 2.390735 5.305078 6.204326 3.809456 2.422703 4.327772 4.448222 5.581915 2.788895 1.392426 2.420039 0.000000 5.010234 5.128023 6.464550 1.393617 5.561855 6.390282 4.301272 2.782291 4.876435 5.202202 5.637085 2.400932 2.401087 1.390956 1.389419 0.000000 4.369339 3.247658 3.807756 7.000225 2.377671 1.425103 4.302158 4.618686 3.083820 5.582198 3.392452 4.734176 5.282191 5.458989 5.934295 5.990646 0.000000 5.719176 4.066421 5.029805 7.934091 3.613393 2.424794 5.566629 5.879201 4.211727 6.746778 4.705013 6.044663 6.370320 6.648497 6.938078 7.043940 1.398608 0.000000 4.258181 3.598163 3.961842 5.803042 2.822917 2.463896 4.168771 4.032673 3.306233 5.612796 3.518832 3.837895 4.682819 4.322068 5.081181 4.895573 1.397826 2.421990 0.000000 7.004095 6.840200 7.998732 1.393322 7.186725 7.681800 6.442840 4.987342 6.716324 7.501844 7.350756 4.317547 4.627917 3.019488 3.444330 2.388596 6.890268 7.679977 5.594063 0.000000 6.728001 4.987764 6.098862 7.842453 4.765188 3.703488 6.500022 6.530368 5.227297 7.754036 5.792060 6.549105 6.871560 6.884772 7.183112 7.166205 2.414445 1.392304 2.789615 7.365745 0.000000 5.547704 4.612276 5.261309 5.687175 4.200947 3.729685 5.357347 4.941722 4.531626 6.794311 4.885002 4.603567 5.350135 4.690547 5.417452 5.080017 2.413502 2.786606 1.394472 5.164871 2.407963 0.000000 6.665646 5.228086 6.206273 6.799844 5.010734 4.221642 6.420545 6.137611 5.368760 7.783477 5.876549 5.942183 6.428232 6.030835 6.501182 6.285389 2.797862 2.422406 2.424046 6.173903 1.396650 1.394333 0.000000 6.734594 6.225803 7.452056 2.445421 6.511408 6.789479 6.200526 4.900714 6.172175 7.413300 6.839200 4.277536 4.667786 3.229410 3.723574 2.848769 5.832818 6.487321 4.537105 1.395025 6.055950 3.905806 4.823748 0.000000 8.243466 8.233729 9.170386 2.368536 8.513994 8.982616 7.758431 6.283392 8.090348 8.790358 8.601625 5.513935 5.928326 4.149928 4.683866 3.606745 8.146468 8.887077 6.811998 1.393622 8.460535 6.256181 7.187633 2.427036 0.000000 7.791715 7.209519 8.204016 3.700345 7.358913 7.416801 7.366486 6.157574 7.185669 8.654648 7.720715 5.457852 6.005098 4.457576 5.105770 4.228577 6.289296 6.729572 5.003344 2.404266 6.039202 4.036826 4.686561 1.394885 2.789734 0.000000 9.121792 8.989901 9.785177 3.650922 9.169465 9.455520 8.711568 7.300438 8.878492 9.853077 9.311009 6.469062 7.023412 5.162144 5.838059 4.769812 8.468481 9.053258 7.121352 2.405268 8.435997 6.328549 7.084533 2.794176 1.393508 2.410869 0.000000 8.926708 8.545616 9.350600 4.175827 8.660716 8.755239 8.546334 7.253590 8.486914 9.799730 8.921678 6.451466 7.063735 5.295352 6.020523 5.026464 7.640856 8.073660 6.331655 2.784354 7.325718 5.354931 5.948504 2.424665 2.422176 1.394976 1.396463 0.000000 2.625281 3.346088 4.349464 7.591414 3.430699 4.655738 2.149064 3.503728 2.761585 1.091310 3.387241 4.585865 4.105974 5.851627 5.485539 6.216356 5.682638 6.779906 5.953038 8.470232 7.917781 7.225208 8.121468 8.285494 9.776425 9.470648 10.791797 10.661249 0.000000 3.371685 2.957138 5.405419 6.469434 3.999515 5.201195 2.151056 2.849436 2.808449 1.090001 4.265464 4.193892 2.840752 5.191952 4.176096 5.175069 5.868236 6.915025 5.908224 7.454359 7.847768 6.979045 7.884006 7.385085 8.754829 8.654273 9.841515 9.804320 1.773900 0.000000 2.694877 4.138319 4.876404 6.532397 4.265956 5.632529 2.143398 2.819687 3.474240 1.090722 3.930000 3.787565 3.347651 4.897254 4.570663 5.216953 6.417636 7.652860 6.298012 7.581267 8.620602 7.449644 8.539733 7.674850 8.787298 8.963088 9.927202 10.012265 1.784250 1.777329 0.000000 2.370161 4.541206 3.373788 4.549913 3.519686 4.510492 2.762171 2.159152 3.570860 4.020574 2.867649 1.081567 3.399409 2.135593 3.870358 3.376307 4.649231 6.016018 3.816764 5.033452 6.604708 4.703584 6.057232 4.906632 6.141189 5.936614 6.988754 6.905089 4.674724 4.686525 4.015789 0.000000 4.140661 2.992409 6.089641 4.526056 4.453354 5.477325 2.729082 2.160159 3.157854 2.847387 4.919868 3.400383 1.082350 3.870803 2.137621 3.376700 5.594255 6.577077 5.226020 5.500649 7.153500 5.937829 6.874488 5.498911 6.792993 6.807314 7.882091 7.896233 3.799779 2.238722 3.253272 4.304195 0.000000 4.132187 2.956491 3.550463 8.332475 1.982913 1.015456 4.130990 5.063569 2.787534 4.997135 3.106308 5.554912 5.788925 6.604396 6.797621 7.138118 2.056884 2.557776 3.306007 8.484446 3.937954 4.457658 4.718705 7.576661 9.810678 8.202627 10.290731 9.566270 4.712039 5.325872 5.944220 5.398136 5.811881 0.000000 4.762379 5.967485 5.670835 2.652529 5.528087 6.273854 4.696349 3.406492 5.348018 5.856884 5.203971 2.155141 3.871633 1.083062 3.397256 2.147211 5.894785 7.056988 4.649085 2.907565 7.185370 4.857070 6.212216 3.182813 3.788756 4.203967 4.680984 4.860449 6.729230 6.207972 5.764163 2.467665 4.953723 7.196672 0.000000 5.847004 4.898235 7.599405 2.604675 6.161655 6.996073 4.680153 3.409184 5.083376 5.132480 6.557590 3.871776 2.159513 3.395873 1.083032 2.143320 6.657849 7.533470 5.851155 3.645021 7.683445 6.047543 6.999706 4.022558 4.760969 5.348247 5.918176 6.172414 6.162007 4.660725 5.271034 4.953144 2.473637 7.508949 4.282436 0.000000 6.131109 4.337132 5.342596 8.887343 3.926888 2.631837 5.999074 6.528908 4.558099 7.025061 5.061437 6.829645 7.023587 7.548531 7.716784 7.937528 2.153200 1.084950 3.402827 8.700815 2.156382 3.871521 3.407342 7.529534 9.931818 7.794961 10.121898 9.142803 6.901019 7.179209 7.989675 6.768706 7.102955 2.349825 8.009681 8.288177 0.000000 3.443098 3.543783 3.408862 5.192956 2.550471 2.713153 3.459349 3.197605 2.969037 4.965829 2.903058 2.825136 4.037150 3.417449 4.467858 4.179217 2.162042 3.408123 1.082869 5.143376 3.872425 2.147177 3.400150 4.292542 6.377237 4.965568 6.840424 6.232886 5.399412 5.367436 5.520634 2.735976 4.717039 3.664690 3.754205 5.361540 4.303284 0.000000 7.743459 5.800800 7.050727 8.749823 5.708202 4.565172 7.487347 7.554377 6.151175 8.681349 6.777009 7.617767 7.823966 7.923404 8.112147 8.137265 3.393043 2.142218 3.873785 8.212154 1.084206 3.393910 2.155899 6.869173 9.254917 6.722975 9.133740 7.952964 8.796779 8.721692 9.586520 7.688346 8.037039 4.628465 8.217865 8.536009 2.473071 4.956611 0.000000 5.840004 5.218099 5.719993 4.955685 4.853099 4.602172 5.647265 4.956073 5.072347 7.103750 5.351488 4.395866 5.297107 4.180381 5.112503 4.544671 3.391159 3.870444 2.142320 4.273040 3.393985 1.083878 2.153556 2.998265 5.272556 3.036251 5.285307 4.322276 7.660017 7.287181 7.637826 4.555471 6.018600 5.403668 4.185163 5.728831 4.955334 2.457035 4.295637 0.000000 7.644934 6.166187 7.213484 7.024789 6.069940 5.305186 7.362894 6.941641 6.363716 8.727130 6.903457 6.670748 7.120384 6.565629 7.012349 6.714973 3.881503 3.404491 3.405878 6.219149 2.157702 2.155461 1.083644 4.826354 7.081851 4.398273 6.785521 5.538172 9.120588 8.779120 9.455414 6.835890 7.590539 5.784177 6.654055 7.414515 4.303397 4.293279 2.489458 2.486760 0.000000 5.909325 5.164120 6.647606 2.708074 5.519909 5.790824 5.306430 4.109511 5.150428 6.546386 5.961438 3.659708 3.914430 2.891655 3.198712 2.578923 4.860793 5.553196 3.622485 2.158026 5.244689 3.138778 4.127217 1.082326 3.408532 2.154346 3.876497 3.405004 7.372065 6.508108 6.911423 4.325283 4.699233 6.544546 3.128340 3.615512 6.570152 3.413434 6.110227 2.419355 4.320931 0.000000 8.639207 8.822211 9.720812 2.562634 9.137770 9.724640 8.146967 6.634968 8.643418 9.056121 9.135136 5.883494 6.224018 4.496720 4.933340 3.893390 8.985808 9.800460 7.662424 2.144001 9.447607 7.216612 8.202436 3.401017 1.083526 3.873104 2.164797 3.411340 10.082160 9.008600 8.934331 6.529612 7.070275 10.553647 4.138056 4.937313 10.830640 7.133455 10.267341 6.254315 8.139191 4.293266 0.000000 7.871607 7.063411 8.053506 4.581287 7.148425 7.007794 7.484957 6.433850 7.094213 8.832869 7.621966 5.801615 6.364299 5.003134 5.637698 4.889425 5.765410 6.025006 4.566415 3.383702 5.192222 3.400815 3.817553 2.142271 3.874034 1.084332 3.397184 2.155548 9.561758 8.845852 9.251278 6.196231 7.105278 7.751806 4.807599 5.917849 7.080421 4.749196 5.797470 2.482005 3.397339 2.467385 4.957346 0.000000 10.102452 10.066059 10.749000 4.511287 10.219798 10.508222 9.725474 8.295878 9.940569 10.843273 10.313413 7.426689 8.011002 6.091921 6.789098 5.709524 9.516515 10.083380 8.162267 3.385695 9.423504 7.341858 8.055152 3.878283 2.144243 3.396088 1.084122 2.155647 11.796791 10.836150 10.865901 7.913499 8.869023 11.354679 5.536889 6.819018 11.155802 7.874198 10.087281 6.285945 7.689539 4.960603 2.488319 4.297869 0.000000 9.786153 9.350271 10.035523 5.259343 9.395114 9.364307 9.459667 8.221305 9.310356 10.755696 9.680108 7.398444 8.072799 6.291408 7.066183 6.088140 8.173237 8.472099 6.905631 3.868022 7.590827 5.799363 6.205233 3.405982 3.403937 2.155123 2.156343 1.083674 11.582302 10.774760 11.002949 7.780725 8.890248 10.162942 5.805079 7.208244 9.530944 6.916916 8.112081 4.798552 5.634058 4.299355 4.309317 2.487794 2.487341 0.000000 C22H18N2O4 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 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.8238,-1.8195,1.2243;2.5918,-.2887,-1.9385;3.5659,-.1388,2.5324;-3.3422,-1.9422,-.3669;3.15,.1562,.2594;3.3639,1.5231,.1944;2.3472,-1.9813,-.1542;.8257,-2.0899,-.1584;2.704,-.6331,-.7854;3.0958,-3.1429,-.7843;3.2138,-.5543,1.459;.0785,-1.7878,.9847;.1604,-2.3729,-1.3555;-1.3103,-1.7469,.9296;-1.2297,-2.3224,-1.4197;-1.9522,-1.9912,-.28;2.2036,2.3169,-.0391;2.3641,3.5628,-.654;.9371,1.9045,.3851;-3.9735,-.7357,-.0716;1.2598,4.3904,-.8388;-.1618,2.7398,.1873;-.0099,3.9849,-.4218;-3.3359,.4978,-.205;-5.3082,-.8148,.3214;-4.0506,1.6629,.0731;-6.0114,.3582,.5885;-5.3867,1.6015,.4694;4.1712,-2.9716,-.7121;2.8242,-3.2349,-1.8359;2.8346,-4.0657,-.2647;.5724,-1.5701,1.9219;.7184,-2.6006,-2.2545;4.1362,1.7319,-.4309;-1.8916,-1.4991,1.8091;-1.752,-2.515,-2.3487;3.3484,3.8747,-.9873;.7988,.9411,.8599;1.3939,5.3532,-1.3191;-1.1408,2.4093,.5144;-.868,4.6292,-.5726;-2.3007,.5531,-.5163;-5.7774,-1.7869,.4158;-3.5538,2.6215,-.0269;-7.049,.2972,.8967;-5.9353,2.5111,.6839; 0.2546502 0.1343457 0.1003202 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= 741 741 741 741 741 MxSgAt= 46 MxSgA2= 46. 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= 724 RedAO= T EigKep= 1.02D-06 NBF= 724 NBsUse= 721 1.00D-06 EigRej= 9.10D-07 NBFU= 721 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= 744 744 744 744 744 MxSgAt= 46 MxSgA2= 46. 1 -1.89905446e-01 -1.73657527e-01 -9.39433982e-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 8 8 8 8 7 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 -0.002757162 -0.011485225 0.011426195 0.000906229 0.004637081 -0.013669210 0.004955499 0.003614833 0.015767364 -0.007435506 -0.005961820 -0.008599313 0.000818455 -0.002950824 0.000380762 0.010196100 0.006260831 0.003219461 -0.004556313 -0.002960601 -0.010078910 -0.000335311 -0.001336684 -0.000126370 -0.001473363 -0.004959142 0.001631474 0.002101880 -0.004515698 -0.002357522 0.000002040 -0.000000615 -0.002775746 0.001286772 0.000158318 0.005020998 0.002036177 -0.001230890 -0.005113999 -0.001937613 0.000091028 0.004989617 -0.001542742 -0.000612261 -0.004558540 0.008278010 -0.001406873 0.000253089 -0.002003546 0.004225778 -0.001024544 0.005022804 0.000954137 -0.001177777 -0.003432298 -0.003923040 0.002924622 -0.003606615 0.005014470 0.004849621 0.002616649 0.003915482 -0.002227774 -0.005300592 -0.000194463 0.001158573 -0.002895036 0.004206371 -0.001085381 0.005147967 0.002061817 -0.001673649 -0.003361943 -0.003494366 -0.001229314 0.002573831 0.004153941 0.001068405 -0.004868716 -0.000636190 0.001580280 -0.002405228 0.003752377 0.002530955 0.001723771 0.001049925 0.001128412 -0.000560228 0.001201407 -0.001512540 -0.001272780 -0.000309106 0.001904892 0.002127310 -0.000191697 -0.000052651 0.000936796 0.000240216 0.000075171 0.001364833 -0.000682569 -0.001306077 -0.001223980 0.000686855 -0.000722081 -0.001444765 0.000452021 -0.000022348 0.000990515 -0.000482060 -0.000078687 0.001089391 -0.001428251 -0.000252243 0.000670357 0.001167253 -0.000660456 -0.001415811 -0.000028371 0.000310533 -0.000785538 0.001208349 -0.000308989 0.000140785 -0.001460387 -0.000403032 0.000942916 -0.000971857 -0.000553526 0.000711133 0.001222906 0.000191273 -0.001364362 -0.000101158 0.000411042 -0.000660769 0.001048751 0.000747941 0.015767364 0.003704875 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1259.98475530360 -1259.98475630216 -0.000000998554 -1259.98475628841 0.000000013744 -1259.98475631925 -0.000000030836 -1259.98475631940 -0.000000000148 -1259.98475631925 0.000000000146 -1259.98475631929 -0.000000000039 -1259.98475631944 -0.000000000146 -1259.98475632 8 1.254763391018e+03 -8.028144351428e+03 2.967124079961e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414432450 LenY= 1413866194 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) PT307932.600S Tue Oct 8 18:14:14 2024 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 O O O O N 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 -0.005302 -0.344642 -0.406405 -0.022895 -0.014309 -0.118053 0.373780 0.601499 0.184417 -0.489331 0.354704 -0.238089 -0.285997 -0.219539 -0.379238 -0.560087 -0.201049 -0.339578 0.375144 -0.474347 -0.147321 -0.280997 -0.411981 0.730861 -0.321656 -0.254420 -0.204205 -0.257020 0.191619 0.203264 0.198972 0.172986 0.172904 0.325576 0.180962 0.167692 0.158060 0.203327 0.165789 0.189883 0.159427 0.201261 0.162933 0.170886 0.167891 0.162624 -0.00000 -19.19898 -19.17138 -19.14596 -19.14154 -14.42255 -14.38085 -10.36221 -10.32039 -10.28114 -10.24458 -10.24403 -10.22660 -10.20269 -10.18877 -10.18825 -10.18437 -10.18424 -10.17990 -10.17989 -10.17917 -10.17841 -10.17779 -10.17767 -10.17702 -10.17696 -10.17541 -10.17302 -10.17150 -1.16300 -1.09569 -1.08580 -1.06858 -1.03744 -0.90030 -0.88109 -0.86151 -0.84875 -0.82184 -0.76905 -0.76319 -0.75565 -0.75429 -0.74864 -0.73377 -0.69699 -0.66068 -0.65437 -0.63383 -0.62925 -0.62376 -0.61612 -0.59965 -0.58966 -0.56342 -0.55477 -0.55211 -0.53150 -0.50707 -0.50230 -0.49939 -0.49041 -0.48618 -0.48014 -0.47932 -0.45867 -0.45204 -0.44785 -0.44641 -0.44388 -0.43859 -0.43494 -0.43252 -0.42772 -0.42328 -0.42031 -0.40779 -0.40536 -0.39969 -0.39196 -0.38482 -0.37161 -0.36817 -0.36680 -0.36534 -0.35112 -0.34788 -0.34293 -0.33692 -0.33482 -0.33031 -0.32059 -0.30349 -0.27268 -0.26476 -0.26339 -0.26125 -0.23610 -0.23196 -0.05284 -0.03281 -0.02314 -0.01963 -0.01582 -0.01263 -0.00748 0.00275 0.01153 0.01550 0.02140 0.02331 0.02590 0.02873 0.03637 0.03894 0.04236 0.04529 0.04679 0.04902 0.05154 0.06072 0.06385 0.06443 0.06588 0.06976 0.07193 0.07485 0.08130 0.08589 0.08636 0.09357 0.09588 0.09768 0.10142 0.10597 0.10791 0.10915 0.11168 0.11811 0.12073 0.12328 0.12448 0.12598 0.12725 0.12999 0.13227 0.13535 0.13798 0.13946 0.14295 0.14463 0.14848 0.15110 0.15381 0.15586 0.15966 0.16189 0.16587 0.16762 0.16937 0.17402 0.18034 0.18344 0.18365 0.18524 0.19169 0.19210 0.19295 0.19501 0.19543 0.19744 0.20078 0.20280 0.20485 0.20832 0.20887 0.21179 0.21331 0.21705 0.21788 0.22060 0.22274 0.22505 0.22623 0.22785 0.23127 0.23341 0.23544 0.23616 0.23810 0.24220 0.24365 0.24687 0.25008 0.25179 0.25351 0.25585 0.25768 0.26283 0.26415 0.26444 0.26948 0.27036 0.27295 0.27452 0.27874 0.28043 0.28243 0.28417 0.28508 0.29158 0.29389 0.29623 0.29923 0.30349 0.30388 0.30631 0.30974 0.31214 0.31281 0.31549 0.32065 0.32270 0.32463 0.32879 0.33068 0.33240 0.33569 0.33784 0.34511 0.34633 0.34859 0.35028 0.35280 0.35356 0.35812 0.36311 0.36885 0.37319 0.37757 0.37933 0.38401 0.38796 0.39211 0.39384 0.39809 0.40145 0.40442 0.41003 0.41409 0.42097 0.42513 0.42807 0.43518 0.44240 0.44571 0.46404 0.47050 0.47810 0.48383 0.49122 0.49737 0.49820 0.50965 0.51805 0.52217 0.52906 0.53360 0.53693 0.53974 0.54533 0.54995 0.55282 0.55701 0.56072 0.56633 0.56667 0.57196 0.57793 0.58368 0.58652 0.59460 0.60124 0.60781 0.60925 0.61010 0.61961 0.62550 0.63020 0.63371 0.63674 0.63747 0.64436 0.64935 0.65583 0.66038 0.66332 0.67355 0.67734 0.67974 0.68528 0.69131 0.69157 0.69783 0.70106 0.70565 0.70843 0.70947 0.71733 0.72010 0.72204 0.72451 0.72911 0.73558 0.73791 0.74008 0.74434 0.74496 0.75454 0.75850 0.76145 0.76413 0.77101 0.77554 0.78169 0.79254 0.80033 0.80191 0.80514 0.81690 0.81873 0.82452 0.82910 0.83256 0.83609 0.84015 0.84319 0.84906 0.85295 0.85648 0.86220 0.86594 0.87066 0.87767 0.88476 0.88591 0.89032 0.89897 0.90301 0.90400 0.91352 0.92603 0.92908 0.93724 0.94488 0.94733 0.95587 0.96954 0.97576 0.98077 0.98301 0.99320 0.99974 1.00889 1.01448 1.01690 1.02493 1.03130 1.03719 1.03906 1.04531 1.05294 1.05778 1.06879 1.07199 1.07562 1.08568 1.08803 1.09494 1.10043 1.10479 1.10895 1.12059 1.13191 1.13681 1.14160 1.14946 1.15194 1.15598 1.16442 1.16726 1.17965 1.18250 1.20217 1.21106 1.21784 1.22722 1.24498 1.25972 1.26306 1.28648 1.29193 1.29839 1.31316 1.31373 1.32334 1.32873 1.34464 1.34950 1.36462 1.38203 1.39100 1.40524 1.42035 1.42794 1.43529 1.45313 1.46802 1.47617 1.48540 1.50294 1.50590 1.51068 1.52033 1.52369 1.53433 1.53610 1.54224 1.54422 1.55115 1.56031 1.56410 1.56804 1.57088 1.57496 1.57838 1.58342 1.58508 1.59687 1.60016 1.60763 1.60935 1.61346 1.61985 1.63979 1.64370 1.65240 1.66048 1.66470 1.66827 1.68113 1.68409 1.69049 1.69838 1.71041 1.72038 1.72431 1.73614 1.74372 1.75359 1.75782 1.76285 1.77285 1.78170 1.78519 1.79172 1.79802 1.80396 1.80792 1.81400 1.82124 1.82797 1.84206 1.84609 1.84946 1.86682 1.88005 1.88863 1.89797 1.90769 1.90990 1.91958 1.92403 1.92674 1.93042 1.94205 1.94330 1.95074 1.95548 1.95873 1.96886 1.97508 1.97977 1.98941 1.99207 1.99809 1.99944 2.00612 2.01441 2.02110 2.02819 2.02971 2.04164 2.04427 2.05874 2.06409 2.06645 2.08015 2.08415 2.09414 2.09817 2.10712 2.11300 2.12596 2.13058 2.13800 2.14297 2.16403 2.18215 2.21110 2.23086 2.25371 2.27308 2.28175 2.29598 2.31377 2.33633 2.34175 2.34767 2.35310 2.36284 2.39676 2.40587 2.40692 2.41272 2.42349 2.43426 2.43523 2.45444 2.46049 2.48192 2.49415 2.49925 2.51527 2.52918 2.55148 2.56367 2.59430 2.61446 2.62802 2.63349 2.63580 2.64374 2.64987 2.66210 2.66461 2.67517 2.68056 2.69082 2.69787 2.70134 2.70593 2.70879 2.71758 2.72500 2.73034 2.73386 2.75234 2.75800 2.76095 2.76528 2.77070 2.77761 2.78288 2.78475 2.79728 2.80162 2.80564 2.81521 2.81636 2.82446 2.82623 2.83597 2.83958 2.84838 2.85476 2.86367 2.87533 2.87654 2.88123 2.88834 2.89376 2.89947 2.91202 2.91832 2.92861 2.93227 2.93687 2.94590 2.94849 2.95952 2.96029 2.97385 2.98466 3.00153 3.02338 3.03136 3.03921 3.06817 3.08828 3.09780 3.10154 3.10693 3.11253 3.12508 3.14905 3.15278 3.17054 3.20074 3.20700 3.22068 3.22888 3.23511 3.29549 3.30725 3.33577 3.34593 3.35980 3.36402 3.37508 3.38197 3.38999 3.41944 3.43476 3.46203 3.48507 3.49567 3.50480 3.52015 3.52586 3.53929 3.54309 3.55954 3.58026 3.59331 3.62783 3.64129 3.65660 3.68578 3.68902 3.78106 3.82884 3.83286 3.84303 3.85825 3.96454 3.97487 3.99952 4.01036 4.01730 4.02178 4.03385 4.05275 4.09383 4.11338 4.11978 4.15462 4.16311 4.16687 4.17257 4.19113 4.20542 4.21822 4.23339 4.34406 4.35360 4.83326 4.84427 4.84957 4.85374 4.89613 5.08619 5.12048 5.14116 5.15300 5.15920 5.21425 5.31022 5.43006 5.44107 5.71669 5.81478 5.85824 5.92558 23.59841 23.62171 23.62874 23.77904 23.86491 23.89591 23.93879 23.95907 23.96728 23.96822 23.97516 23.97828 23.98076 24.06564 24.07361 24.07402 24.09623 24.09949 24.10712 24.18882 24.19421 24.19634 35.49582 35.57022 49.92864 49.98185 49.99347 50.06681 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 O O O O N 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 -0.017091 -0.345059 -0.399020 -0.034955 -0.013628 -0.108516 0.347960 0.539525 0.168557 -0.396565 0.332046 -0.325611 -0.265238 -0.231231 -0.443028 -0.319977 -0.251714 -0.339610 0.256795 -0.677034 -0.244965 -0.155460 -0.293719 1.218067 -0.437466 -0.299081 -0.269889 -0.406180 0.193944 0.205395 0.202058 0.184416 0.174834 0.323257 0.178559 0.173997 0.160392 0.217302 0.167808 0.177897 0.165526 0.204775 0.164320 0.184553 0.169927 0.163126 -0.00000 -1.47564886e-01 -9.36515490e-02 -1.24075737e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.3751 -0.2380 -3.1537 3.1848 -152.0937 -148.2937 -180.8270 -8.6126 -22.4119 0.1339 8.3111 12.1111 -20.4222 -8.6126 -22.4119 0.1339 7.8206 29.1967 -24.1955 41.1810 21.9117 -40.4716 -46.3902 -25.7156 -45.5640 -5.3905 -8138.3013 -4325.2599 -1176.2341 -22.6388 -502.9516 -99.8339 -93.2769 -60.0337 36.0737 -2050.5754 -1962.2068 -932.7751 -18.4494 -106.2343 21.6460 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1259.9847563 3.576E-9 4.634E-6 3.2278063,10.7336724,-13.9614787,-3.7832805,-16.8696396,5.8633374 C01 [X(C22H18N2O4)] -0.1798065 0.0442401 -1.2392487 -0.000000448 -0.000008714 0.000002941 0.000002462 0.000000633 -0.000002683 0.000002084 0.000004801 0.000002296 0.000006349 0.000000765 0.000005308 0.000000365 -0.000007224 0.000008175 0.000005364 0.000005154 0.000002029 0.000004137 0.000007236 0.000003421 0.000002713 -0.000001081 0.000006726 -0.000004258 -0.000001620 0.000001661 0.000003068 0.000000605 0.000006596 0.000003071 0.000023469 -0.000000765 0.000008804 -0.000001166 0.000000846 -0.000001972 -0.000001603 -0.000000572 -0.000003141 0.000001863 0.000001075 0.000006693 -0.000007146 -0.000000963 -0.000008097 0.000001727 0.000006091 -0.000003745 0.000003869 -0.000004423 -0.000002732 0.000004195 -0.000003554 -0.000001467 0.000002957 -0.000003280 0.000009332 -0.000010299 -0.000003214 -0.000003443 0.000003072 -0.000006791 -0.000004549 0.000000188 -0.000002938 -0.000004369 0.000002496 -0.000005656 -0.000001275 -0.000010652 0.000000007 -0.000007358 0.000001367 0.000002573 -0.000004578 0.000001722 -0.000001601 -0.000004383 -0.000011403 -0.000002214 0.000002451 0.000001425 -0.000003580 0.000004811 0.000001630 0.000005359 0.000003765 -0.000001036 0.000004535 0.000004505 0.000000028 0.000006157 0.000001489 0.000003921 0.000003326 0.000002701 -0.000003408 0.000003954 0.000001136 0.000004009 -0.000003656 0.000002559 0.000000364 0.000003000 0.000000628 -0.000005380 0.000003401 -0.000002643 0.000004308 -0.000005035 0.000000147 0.000000411 0.000000902 -0.000004047 0.000001649 -0.000007382 -0.000004363 0.000002525 -0.000002962 -0.000004964 0.000000243 -0.000006701 -0.000000883 -0.000000641 -0.000002254 0.000001228 -0.000005801 0.000000753 -0.000001977 -0.000002443 -0.000004936 -0.000001790 -0.000004062 -0.000001915 -0.000003380 -0.000002952 -0.000004054 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3551,-2.4841,1.0045;2.4145,-.6785,-2.0182;3.4546,-1.114,2.4189;-3.7152,-1.1675,-.4044;3.0823,-.5479,.1901;3.5816,.7435,.2275;1.8376,-2.4251,-.3675;.3279,-2.2091,-.3343;2.4653,-1.1346,-.9;2.3136,-3.6615,-1.1102;3.0086,-1.3541,1.3271;-.3233,-1.8532,.8512;-.3975,-2.2436,-1.5295;-1.6721,-1.5155,.8415;-1.7456,-1.8955,-1.5474;-2.3665,-1.5161,-.3637;2.6141,1.7812,.0929;3.0286,3.0123,-.4256;1.2944,1.6114,.5211;-4.0713,.1159,.0048;2.1237,4.067,-.5106;.3962,2.6736,.4236;.8021,3.9052,-.0889;-3.1873,1.1937,-.0495;-5.3871,.2877,.4304;-3.6339,2.4559,.3418;-5.8208,1.5562,.8109;-4.9473,2.645,.7722;3.4016,-3.7278,-1.0571;2.0153,-3.6053,-2.1571;1.8684,-4.5486,-.6579;.2175,-1.8243,1.7874;.0878,-2.5077,-2.4602;4.3727,.8363,-.4023;-2.1761,-1.2252,1.7552;-2.3086,-1.8946,-2.4726;4.0524,3.1361,-.7627;.9601,.6626,.9219;2.4536,5.0166,-.9167;-.6266,2.5311,.7529;.099,4.7266,-.1621;-2.1681,1.0551,-.3865;-6.0514,-.5678,.4614;-2.9456,3.2929,.3033;-6.8437,1.69,1.1445;-5.2868,3.6286,1.0747; Gaussian 16 GINC-BELVIS10 APULGAR Optimization famoxadone CONF111 water EM64L-G16RevC.01 132 C1[X(C22H18N2O4)] 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 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3551,-2.4841,1.0045;2.4145,-.6785,-2.0182;3.4546,-1.114,2.4189;-3.7152,-1.1675,-.4044;3.0823,-.5479,.1901;3.5816,.7435,.2275;1.8376,-2.4251,-.3675;.3279,-2.2091,-.3343;2.4653,-1.1346,-.9;2.3136,-3.6615,-1.1102;3.0086,-1.3541,1.3271;-.3233,-1.8532,.8512;-.3975,-2.2436,-1.5295;-1.6721,-1.5155,.8415;-1.7456,-1.8955,-1.5474;-2.3665,-1.5161,-.3637;2.6141,1.7812,.0929;3.0286,3.0123,-.4256;1.2944,1.6114,.5211;-4.0713,.1159,.0048;2.1237,4.067,-.5106;.3962,2.6736,.4236;.8021,3.9052,-.0889;-3.1873,1.1937,-.0495;-5.3871,.2877,.4304;-3.6339,2.4559,.3418;-5.8208,1.5562,.8109;-4.9473,2.645,.7722;3.4016,-3.7278,-1.0571;2.0153,-3.6053,-2.1571;1.8684,-4.5486,-.6579;.2175,-1.8243,1.7874;.0878,-2.5077,-2.4602;4.3727,.8363,-.4023;-2.1761,-1.2252,1.7552;-2.3086,-1.8946,-2.4726;4.0524,3.1361,-.7627;.9601,.6626,.9219;2.4536,5.0166,-.9167;-.6266,2.5311,.7529;.099,4.7266,-.1621;-2.1681,1.0551,-.3865;-6.0514,-.5678,.4614;-2.9456,3.2929,.3033;-6.8437,1.69,1.1445;-5.2868,3.6286,1.0747; Optimization famoxadone CONF111 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 16 16 14 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 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 2 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 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (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 1 2 3 4 4 5 5 5 6 6 7 7 7 8 8 10 10 10 12 12 13 13 14 14 15 15 17 17 18 18 19 19 20 20 21 21 22 22 23 24 24 25 25 26 26 27 27 28 7 11 9 11 16 20 6 9 11 17 34 8 9 10 12 13 29 30 31 14 32 15 33 16 35 16 36 18 19 21 37 22 38 24 25 23 39 23 40 41 26 42 27 43 28 44 28 45 46 1.4675 1.3447 1.2087 1.2037 1.3936 1.3933 1.3851 1.3833 1.3957 1.4251 1.0155 1.5254 1.5308 1.5188 1.3986 1.3986 1.0913 1.09 1.0907 1.3905 1.0816 1.3924 1.0823 1.391 1.0831 1.3894 1.083 1.3986 1.3978 1.3923 1.085 1.3945 1.0829 1.395 1.3936 1.3967 1.0842 1.3943 1.0839 1.0836 1.3949 1.0823 1.3935 1.0835 1.395 1.0843 1.3965 1.0841 1.0837 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 7 16 6 6 9 5 5 17 1 1 1 8 8 9 7 7 12 2 2 5 7 7 7 29 29 30 1 1 3 8 8 14 8 8 15 12 12 16 13 13 16 4 4 14 6 6 18 17 17 21 17 17 22 4 4 24 18 18 23 19 19 23 21 21 22 20 20 26 20 20 27 24 24 28 25 25 28 26 26 27 1 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 11 20 9 11 11 17 34 34 8 9 10 9 10 10 12 13 13 5 7 7 29 30 31 30 31 31 3 5 5 14 32 32 15 33 33 16 35 35 16 36 36 14 15 15 18 19 19 21 37 37 22 38 38 24 25 25 23 39 39 23 40 40 22 41 41 26 42 42 27 43 43 28 44 44 28 45 45 27 46 46 111.2158 117.9779 125.2779 122.3852 111.9271 115.5724 110.4415 113.816 109.53 102.3877 108.2986 107.0985 115.8538 112.8111 121.018 119.4223 119.2833 126.0049 128.5133 105.446 109.763 109.9979 109.3513 108.8248 109.7107 109.1783 124.425 108.4031 127.168 120.5016 120.5125 118.9815 120.4643 120.5499 118.9519 119.352 120.7058 119.9175 119.3391 120.9622 119.6837 120.552 118.4175 121.0104 118.3446 121.572 120.0169 119.7903 119.6872 120.522 119.6154 120.7511 119.6323 122.5686 116.3947 120.9934 120.586 119.2476 120.1642 120.733 119.1014 120.1656 119.2569 120.3787 120.3641 119.0323 120.6524 120.315 119.3081 119.356 121.3357 120.7083 119.0277 120.2636 120.4938 119.3421 120.1629 119.4613 120.275 120.2637 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 11 11 11 7 7 20 20 16 16 9 9 11 11 6 6 11 11 6 6 9 9 5 5 34 34 1 1 9 9 10 10 1 1 8 8 10 10 1 1 1 8 8 8 9 9 9 7 7 13 13 7 7 12 12 8 8 32 32 8 8 33 33 12 12 35 35 13 13 36 36 6 6 19 19 6 6 18 18 17 17 37 37 17 17 38 38 4 4 25 25 4 4 24 24 18 18 39 39 19 19 40 40 20 20 42 42 20 20 43 43 24 24 44 44 25 25 45 45 1 1 1 1 1 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 7 7 7 11 11 16 16 20 20 6 6 6 6 9 9 9 9 11 11 11 11 17 17 17 17 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 25 23 23 23 23 23 23 23 23 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 28 8 9 10 3 5 14 15 24 25 17 34 17 34 2 7 2 7 1 3 1 3 18 19 18 19 12 13 12 13 12 13 2 5 2 5 2 5 29 30 31 29 30 31 29 30 31 14 32 14 32 15 33 15 33 16 35 16 35 16 36 16 36 4 15 4 15 4 14 4 14 21 37 21 37 22 38 22 38 23 39 23 39 23 40 23 40 26 42 26 42 27 43 27 43 22 41 22 41 21 41 21 41 28 44 28 44 28 45 28 45 27 46 27 46 26 46 26 46 -105.5669 7.8431 127.2302 175.1081 -5.5617 61.2499 -120.364 25.5629 -156.81 64.4386 -66.5639 -107.6119 121.3856 9.6122 -168.3596 -177.6204 4.4079 173.5069 -7.1865 0.4975 179.8042 -153.835 29.1303 -24.4572 158.5082 11.915 -174.1671 -98.4048 75.5131 134.7397 -51.3424 174.986 -7.1109 -69.8215 108.0815 58.8116 -123.2853 -55.534 -175.2451 64.8652 -179.0048 61.2841 -58.6056 57.0605 -62.6506 177.4597 172.8795 -6.3442 -1.0467 179.7295 -172.4295 5.4297 1.5948 179.454 -0.9052 -179.0931 178.3304 0.1424 -0.1807 178.405 -178.0738 0.512 -179.294 2.3622 -1.0915 -179.4353 179.8007 -1.8209 1.1966 179.575 -176.9373 3.3358 0.145 -179.5819 177.1965 -3.1869 0.2106 179.8272 -0.3415 -179.817 179.383 -0.0924 -0.3764 179.6564 -179.9974 0.0355 178.1001 -2.1123 0.5797 -179.6327 -177.8911 2.2846 -0.2239 179.9518 0.1784 -179.6299 179.6491 -0.1592 0.1828 179.9911 -179.8504 -0.0421 -0.4831 179.7606 179.7285 -0.0278 -0.2359 -179.8447 179.5849 -0.024 0.0349 179.9891 179.7883 -0.2576 0.3292 -179.6249 179.9349 -0.0193 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00104 0.00252 0.00378 0.00530 0.00640 0.01050 0.01187 0.01549 0.01618 0.01667 0.01730 0.01745 0.01767 0.01777 0.01814 0.01838 0.01890 0.02052 0.02099 0.02139 0.02217 0.02244 0.02257 0.02305 0.02375 0.02535 0.02554 0.02577 0.02742 0.02817 0.02893 0.02905 0.02967 0.02975 0.03090 0.03329 0.03616 0.04296 0.04406 0.04546 0.05825 0.06236 0.07406 0.10599 0.10728 0.10874 0.10986 0.11115 0.11366 0.11485 0.11722 0.11923 0.11973 0.12103 0.12113 0.12359 0.12499 0.12655 0.12833 0.13127 0.14126 0.14999 0.15977 0.16091 0.17585 0.17756 0.18160 0.18562 0.18734 0.18984 0.19136 0.19307 0.19344 0.19511 0.20484 0.20876 0.21709 0.21841 0.22465 0.22903 0.23878 0.25759 0.26549 0.28231 0.28854 0.30378 0.31518 0.31681 0.32777 0.33897 0.34000 0.34222 0.34445 0.34651 0.34931 0.35392 0.35539 0.35626 0.35675 0.35726 0.35822 0.35853 0.35862 0.36003 0.36039 0.36091 0.36424 0.36471 0.36740 0.37026 0.37971 0.39561 0.40761 0.40997 0.41304 0.42855 0.43808 0.44475 0.44992 0.45989 0.46304 0.46412 0.46736 0.46940 0.47389 0.49760 0.50728 0.51094 0.57223 0.81768 0.84926 1.01063 Angle between quadratic step and forces= 72.80 degrees. 1 2 0.00026583 0.00000004 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 2.77323 2.54104 2.28402 2.27457 2.63355 2.63300 2.61737 2.61399 2.63752 2.69305 1.91893 2.88262 2.89271 2.87005 2.64298 2.64290 2.06228 2.05980 2.06117 2.62772 2.04386 2.63130 2.04534 2.62853 2.04669 2.62562 2.04663 2.64299 2.64151 2.63107 2.05026 2.63517 2.04633 2.63622 2.63356 2.63929 2.04885 2.63491 2.04823 2.04779 2.63595 2.04530 2.63335 2.04757 2.63612 2.04909 2.63893 2.04869 2.04785 1.94108 2.05910 2.18651 2.13602 1.95350 2.01712 1.92757 1.98646 1.91166 1.78700 1.89017 1.86922 2.02203 1.96892 2.11216 2.08431 2.08189 2.19920 2.24298 1.84038 1.91573 1.91983 1.90854 1.89935 1.91481 1.90552 2.17163 1.89199 2.21950 2.10315 2.10334 2.07662 2.10250 2.10399 2.07610 2.08309 2.10671 2.09295 2.08286 2.11119 2.08888 2.10403 2.06678 2.11203 2.06550 2.12183 2.09469 2.09073 2.08894 2.10351 2.08768 2.10750 2.08798 2.13923 2.03147 2.11173 2.10462 2.08126 2.09726 2.10719 2.07871 2.09729 2.08143 2.10100 2.10075 2.07750 2.10578 2.09989 2.08232 2.08315 2.11771 2.10676 2.07743 2.09900 2.10301 2.08291 2.09724 2.08499 2.09919 2.09900 -1.84249 0.13689 2.22059 3.05621 -0.09707 1.06901 -2.10075 0.44616 -2.73685 1.12467 -1.16176 -1.87818 2.11858 0.16776 -2.93843 -3.10006 0.07693 3.02827 -0.12543 0.00868 3.13817 -2.68493 0.50842 -0.42686 2.76649 0.20796 -3.03979 -1.71749 1.31795 2.35165 -0.89609 3.05408 -0.12411 -1.21862 1.88638 1.02646 -2.15173 -0.96925 -3.05860 1.13211 -3.12422 1.06961 -1.02286 0.99589 -1.09346 3.09726 3.01732 -0.11073 -0.01827 3.13687 -3.00946 0.09477 0.02783 3.13206 -0.01580 -3.12576 3.11245 0.00249 -0.00315 3.11375 -3.10797 0.00894 -3.12927 0.04123 -0.01905 -3.13174 3.13811 -0.03178 0.02089 3.13418 -3.08814 0.05822 0.00253 -3.13429 3.09266 -0.05562 0.00368 3.13858 -0.00596 -3.13840 3.13082 -0.00161 -0.00657 3.13560 -3.14155 0.00062 3.10843 -0.03687 0.01012 -3.13518 -3.10478 0.03987 -0.00391 3.14075 0.00311 -3.13513 3.13547 -0.00278 0.00319 3.14144 -3.13898 -0.00074 -0.00843 3.13741 3.13685 -0.00049 -0.00412 -3.13888 3.13435 -0.00042 0.00061 3.14140 3.13790 -0.00450 0.00575 -3.13505 3.14046 -0.00034 0.00000 0.00001 0.00000 0.00000 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 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 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00005 0.00000 -0.00000 -0.00002 -0.00002 0.00003 0.00002 -0.00003 0.00003 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00000 -0.00002 0.00000 -0.00001 0.00000 0.00002 0.00000 0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00002 -0.00003 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00002 0.00002 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00002 -0.00000 0.00002 0.00001 0.00001 -0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00003 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00002 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00002 -0.00003 0.00001 -0.00002 0.00001 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00002 0.00001 0.00000 -0.00003 0.00009 0.00009 -0.00033 -0.00032 0.00010 0.00018 0.00006 0.00015 -0.00000 -0.00004 0.00002 -0.00001 0.00005 0.00002 0.00002 -0.00000 0.00004 0.00007 -0.00006 -0.00003 0.00014 0.00010 0.00013 0.00009 0.00014 0.00010 -0.00004 -0.00000 -0.00004 -0.00000 -0.00004 0.00000 0.00007 0.00008 0.00007 0.00007 0.00008 0.00007 0.00008 0.00008 0.00008 -0.00006 -0.00004 -0.00002 0.00000 0.00006 0.00006 0.00002 0.00002 0.00000 0.00001 -0.00002 -0.00001 0.00002 0.00000 0.00001 0.00000 0.00003 0.00003 0.00002 0.00002 -0.00004 -0.00004 -0.00002 -0.00002 0.00002 0.00002 -0.00001 -0.00001 -0.00003 -0.00001 0.00000 0.00002 0.00001 0.00000 0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00000 0.00003 0.00006 0.00002 0.00006 -0.00003 -0.00003 -0.00002 -0.00003 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00002 0.00000 0.00001 -0.00003 -0.00003 0.00001 -0.00001 0.00001 -0.00000 -0.00002 -0.00001 -0.00002 -0.00002 0.00002 0.00001 0.00003 0.00002 0.00000 0.00005 0.00000 -0.00000 -0.00002 -0.00002 0.00003 0.00002 -0.00003 0.00003 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00000 -0.00002 0.00000 -0.00001 0.00000 0.00002 0.00000 0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00002 -0.00003 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00002 0.00002 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00002 -0.00000 0.00002 0.00001 0.00001 -0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00003 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00002 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00002 -0.00003 0.00001 -0.00002 0.00001 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00002 0.00001 0.00000 -0.00003 0.00009 0.00009 -0.00033 -0.00032 0.00010 0.00018 0.00006 0.00015 -0.00000 -0.00004 0.00002 -0.00001 0.00005 0.00002 0.00002 -0.00000 0.00004 0.00007 -0.00006 -0.00003 0.00014 0.00010 0.00013 0.00009 0.00014 0.00010 -0.00004 -0.00000 -0.00004 -0.00000 -0.00004 0.00000 0.00007 0.00008 0.00007 0.00007 0.00008 0.00007 0.00008 0.00008 0.00008 -0.00006 -0.00004 -0.00002 0.00000 0.00006 0.00006 0.00002 0.00002 0.00000 0.00001 -0.00002 -0.00001 0.00002 0.00000 0.00001 0.00000 0.00003 0.00003 0.00002 0.00002 -0.00004 -0.00004 -0.00002 -0.00002 0.00002 0.00002 -0.00001 -0.00001 -0.00003 -0.00001 0.00000 0.00002 0.00001 0.00000 0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00000 0.00003 0.00006 0.00002 0.00006 -0.00003 -0.00003 -0.00002 -0.00003 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00002 0.00000 0.00001 -0.00003 -0.00003 0.00001 -0.00001 0.00001 -0.00000 -0.00002 -0.00001 -0.00002 -0.00002 0.00002 0.00001 0.00003 0.00002 2.77324 2.54109 2.28402 2.27457 2.63353 2.63297 2.61740 2.61401 2.63749 2.69308 1.91894 2.88262 2.89270 2.87006 2.64297 2.64292 2.06228 2.05981 2.06117 2.62773 2.04387 2.63130 2.04535 2.62852 2.04669 2.62564 2.04663 2.64299 2.64151 2.63108 2.05026 2.63518 2.04633 2.63620 2.63359 2.63929 2.04885 2.63491 2.04823 2.04779 2.63597 2.04530 2.63333 2.04757 2.63611 2.04909 2.63895 2.04870 2.04785 1.94107 2.05913 2.18651 2.13603 1.95351 2.01710 1.92753 1.98644 1.91166 1.78701 1.89016 1.86921 2.02204 1.96892 2.11214 2.08433 2.08188 2.19919 2.24299 1.84038 1.91572 1.91983 1.90855 1.89934 1.91481 1.90552 2.17160 1.89199 2.21952 2.10316 2.10335 2.07660 2.10249 2.10399 2.07611 2.08309 2.10670 2.09297 2.08287 2.11120 2.08886 2.10403 2.06678 2.11202 2.06551 2.12183 2.09469 2.09074 2.08895 2.10349 2.08769 2.10749 2.08799 2.13925 2.03146 2.11172 2.10462 2.08126 2.09727 2.10718 2.07873 2.09727 2.08143 2.10101 2.10074 2.07751 2.10580 2.09987 2.08233 2.08314 2.11772 2.10676 2.07741 2.09901 2.10301 2.08292 2.09723 2.08499 2.09920 2.09900 -1.84247 0.13691 2.22060 3.05621 -0.09710 1.06910 -2.10066 0.44583 -2.73717 1.12476 -1.16158 -1.87812 2.11873 0.16776 -2.93847 -3.10004 0.07692 3.02832 -0.12540 0.00871 3.13817 -2.68489 0.50849 -0.42692 2.76646 0.20809 -3.03969 -1.71736 1.31804 2.35179 -0.89600 3.05404 -0.12411 -1.21866 1.88637 1.02642 -2.15173 -0.96918 -3.05852 1.13219 -3.12415 1.06969 -1.02279 0.99597 -1.09337 3.09733 3.01725 -0.11077 -0.01829 3.13687 -3.00941 0.09482 0.02785 3.13208 -0.01580 -3.12575 3.11243 0.00247 -0.00314 3.11376 -3.10796 0.00894 -3.12924 0.04126 -0.01903 -3.13172 3.13808 -0.03182 0.02086 3.13415 -3.08812 0.05824 0.00252 -3.13430 3.09263 -0.05563 0.00368 3.13860 -0.00595 -3.13840 3.13083 -0.00161 -0.00656 3.13562 -3.14156 0.00062 3.10846 -0.03681 0.01014 -3.13513 -3.10481 0.03984 -0.00393 3.14072 0.00311 -3.13514 3.13548 -0.00278 0.00318 3.14143 -3.13900 -0.00075 -0.00843 3.13742 3.13682 -0.00051 -0.00411 -3.13889 3.13436 -0.00042 0.00059 3.14139 3.13787 -0.00451 0.00576 -3.13504 3.14048 -0.00032 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000002 0.001192 0.000266 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.484819e-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 1 2 3 4 4 5 5 5 6 6 7 7 7 8 8 10 10 10 12 12 13 13 14 14 15 15 17 17 18 18 19 19 20 20 21 21 22 22 23 24 24 25 25 26 26 27 27 28 7 11 9 11 16 20 6 9 11 17 34 8 9 10 12 13 29 30 31 14 32 15 33 16 35 16 36 18 19 21 37 22 38 24 25 23 39 23 40 41 26 42 27 43 28 44 28 45 46 1.4675 1.3447 1.2087 1.2037 1.3936 1.3933 1.3851 1.3833 1.3957 1.4251 1.0155 1.5254 1.5308 1.5188 1.3986 1.3986 1.0913 1.09 1.0907 1.3905 1.0816 1.3924 1.0823 1.391 1.0831 1.3894 1.083 1.3986 1.3978 1.3923 1.085 1.3945 1.0829 1.395 1.3936 1.3967 1.0842 1.3943 1.0839 1.0836 1.3949 1.0823 1.3935 1.0835 1.395 1.0843 1.3965 1.0841 1.0837 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 7 16 6 6 9 5 5 17 1 1 1 8 8 9 7 7 12 2 2 5 7 7 7 29 29 30 1 1 3 8 8 14 8 8 15 12 12 16 13 13 16 4 4 14 6 6 18 17 17 21 17 17 22 4 4 24 18 18 23 19 19 23 21 21 22 20 20 26 20 20 27 24 24 28 25 25 28 26 26 27 1 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 11 20 9 11 11 17 34 34 8 9 10 9 10 10 12 13 13 5 7 7 29 30 31 30 31 31 3 5 5 14 32 32 15 33 33 16 35 35 16 36 36 14 15 15 18 19 19 21 37 37 22 38 38 24 25 25 23 39 39 23 40 40 22 41 41 26 42 42 27 43 43 28 44 44 28 45 45 27 46 46 111.2158 117.9779 125.2779 122.3852 111.9271 115.5724 110.4415 113.816 109.53 102.3877 108.2986 107.0985 115.8538 112.8111 121.018 119.4223 119.2833 126.0049 128.5133 105.446 109.763 109.9979 109.3513 108.8248 109.7107 109.1783 124.425 108.4031 127.168 120.5016 120.5125 118.9815 120.4643 120.5499 118.9519 119.352 120.7058 119.9175 119.3391 120.9622 119.6837 120.552 118.4175 121.0104 118.3446 121.572 120.0169 119.7903 119.6872 120.522 119.6154 120.7511 119.6323 122.5686 116.3947 120.9934 120.586 119.2476 120.1642 120.733 119.1014 120.1656 119.2569 120.3787 120.3641 119.0323 120.6524 120.315 119.3081 119.356 121.3357 120.7083 119.0277 120.2636 120.4938 119.3421 120.1629 119.4613 120.275 120.2637 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 11 11 11 7 7 20 20 16 16 9 9 11 11 6 6 11 11 6 6 9 9 5 5 34 34 1 1 9 9 10 10 1 1 8 8 10 10 1 1 1 8 8 8 9 9 9 7 7 13 13 7 7 12 12 8 8 32 32 8 8 33 33 12 12 35 35 13 13 36 36 6 6 19 19 6 6 18 18 17 17 37 37 17 17 38 38 4 4 25 25 4 4 24 24 18 18 39 39 19 19 40 40 20 20 42 42 20 20 43 43 24 24 44 44 25 25 45 1 1 1 1 1 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 7 7 7 11 11 16 16 20 20 6 6 6 6 9 9 9 9 11 11 11 11 17 17 17 17 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 21 21 21 21 22 22 22 22 24 24 24 24 25 25 25 25 23 23 23 23 23 23 23 23 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 8 9 10 3 5 14 15 24 25 17 34 17 34 2 7 2 7 1 3 1 3 18 19 18 19 12 13 12 13 12 13 2 5 2 5 2 5 29 30 31 29 30 31 29 30 31 14 32 14 32 15 33 15 33 16 35 16 35 16 36 16 36 4 15 4 15 4 14 4 14 21 37 21 37 22 38 22 38 23 39 23 39 23 40 23 40 26 42 26 42 27 43 27 43 22 41 22 41 21 41 21 41 28 44 28 44 28 45 28 45 27 46 27 46 26 46 26 -105.5669 7.8431 127.2302 175.1081 -5.5617 61.2499 -120.364 25.5629 -156.81 64.4386 -66.5639 -107.6119 121.3856 9.6122 -168.3596 -177.6204 4.4079 173.5069 -7.1865 0.4975 179.8042 -153.835 29.1303 -24.4572 158.5082 11.915 -174.1671 -98.4048 75.5131 134.7397 -51.3424 174.986 -7.1109 -69.8215 108.0815 58.8116 -123.2853 -55.534 -175.2451 64.8652 -179.0048 61.2841 -58.6056 57.0605 -62.6506 177.4597 172.8795 -6.3442 -1.0467 179.7295 -172.4295 5.4297 1.5948 179.454 -0.9052 -179.0931 178.3304 0.1424 -0.1807 178.405 -178.0738 0.512 -179.294 2.3622 -1.0915 -179.4353 179.8007 -1.8209 1.1966 179.575 -176.9373 3.3358 0.145 -179.5819 177.1965 -3.1869 0.2106 179.8272 -0.3415 -179.817 179.383 -0.0924 -0.3764 179.6564 -179.9974 0.0355 178.1001 -2.1123 0.5797 -179.6327 -177.8911 2.2846 -0.2239 179.9518 0.1784 -179.6299 179.6491 -0.1592 0.1828 179.9911 -179.8504 -0.0421 -0.4831 179.7606 179.7285 -0.0278 -0.2359 -179.8447 179.5849 -0.024 0.0349 179.9891 179.7883 -0.2576 0.3292 -179.6249 179.9349 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 752 A 724 A 724 1152 752 98 98 2546.3090271781 46 46 46 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 -0.0530818473 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 3.521412 0.000000 2.255408 4.578198 0.000000 6.369217 6.357385 7.705888 0.000000 2.222866 2.310825 2.329529 6.851583 0.000000 3.539164 2.903096 2.875543 7.569351 1.385055 0.000000 1.467532 2.471478 3.478243 5.693571 2.320455 3.665537 0.000000 2.444845 3.087394 4.307638 4.175746 3.259082 4.429485 1.525415 0.000000 2.336813 1.208650 3.463359 6.200439 1.383266 2.458624 1.530754 2.458287 0.000000 2.420718 3.119706 4.499622 6.562320 3.460707 4.775110 1.518767 2.579556 2.540183 0.000000 1.344663 3.464129 1.203652 6.945675 1.395715 2.436640 2.321636 3.267592 2.302902 3.427462 0.000000 2.755924 4.136249 4.156524 3.681306 3.706631 4.730757 2.545928 1.398604 3.370375 3.750979 3.402485 0.000000 3.749088 3.255071 5.630720 3.664812 4.235798 5.276698 2.525647 1.398563 3.133986 3.088054 4.533508 2.413624 0.000000 4.145265 5.057538 5.378932 2.418191 4.895454 5.751669 3.821970 2.421543 4.505151 4.929532 4.708599 1.390527 2.788633 0.000000 4.865601 4.359891 6.586694 2.390735 5.305078 6.204326 3.809456 2.422703 4.327772 4.448222 5.581915 2.788895 1.392426 2.420039 0.000000 5.010234 5.128023 6.464550 1.393617 5.561855 6.390282 4.301272 2.782291 4.876435 5.202202 5.637085 2.400932 2.401087 1.390956 1.389419 0.000000 4.369339 3.247658 3.807756 7.000225 2.377671 1.425103 4.302158 4.618686 3.083820 5.582198 3.392452 4.734176 5.282191 5.458989 5.934295 5.990646 0.000000 5.719176 4.066421 5.029805 7.934091 3.613393 2.424794 5.566629 5.879201 4.211727 6.746778 4.705013 6.044663 6.370320 6.648497 6.938078 7.043940 1.398608 0.000000 4.258181 3.598163 3.961842 5.803042 2.822917 2.463896 4.168771 4.032673 3.306233 5.612796 3.518832 3.837895 4.682819 4.322068 5.081181 4.895573 1.397826 2.421990 0.000000 7.004095 6.840200 7.998732 1.393322 7.186725 7.681800 6.442840 4.987342 6.716324 7.501844 7.350756 4.317547 4.627917 3.019488 3.444330 2.388596 6.890268 7.679977 5.594063 0.000000 6.728001 4.987764 6.098862 7.842453 4.765188 3.703488 6.500022 6.530368 5.227297 7.754036 5.792060 6.549105 6.871560 6.884772 7.183112 7.166205 2.414445 1.392304 2.789615 7.365745 0.000000 5.547704 4.612276 5.261309 5.687175 4.200947 3.729685 5.357347 4.941722 4.531626 6.794311 4.885002 4.603567 5.350135 4.690547 5.417452 5.080017 2.413502 2.786606 1.394472 5.164871 2.407963 0.000000 6.665646 5.228086 6.206273 6.799844 5.010734 4.221642 6.420545 6.137611 5.368760 7.783477 5.876549 5.942183 6.428232 6.030835 6.501182 6.285389 2.797862 2.422406 2.424046 6.173903 1.396650 1.394333 0.000000 6.734594 6.225803 7.452056 2.445421 6.511408 6.789479 6.200526 4.900714 6.172175 7.413300 6.839200 4.277536 4.667786 3.229410 3.723574 2.848769 5.832818 6.487321 4.537105 1.395025 6.055950 3.905806 4.823748 0.000000 8.243466 8.233729 9.170386 2.368536 8.513994 8.982616 7.758431 6.283392 8.090348 8.790358 8.601625 5.513935 5.928326 4.149928 4.683866 3.606745 8.146468 8.887077 6.811998 1.393622 8.460535 6.256181 7.187633 2.427036 0.000000 7.791715 7.209519 8.204016 3.700345 7.358913 7.416801 7.366486 6.157574 7.185669 8.654648 7.720715 5.457852 6.005098 4.457576 5.105770 4.228577 6.289296 6.729572 5.003344 2.404266 6.039202 4.036826 4.686561 1.394885 2.789734 0.000000 9.121792 8.989901 9.785177 3.650922 9.169465 9.455520 8.711568 7.300438 8.878492 9.853077 9.311009 6.469062 7.023412 5.162144 5.838059 4.769812 8.468481 9.053258 7.121352 2.405268 8.435997 6.328549 7.084533 2.794176 1.393508 2.410869 0.000000 8.926708 8.545616 9.350600 4.175827 8.660716 8.755239 8.546334 7.253590 8.486914 9.799730 8.921678 6.451466 7.063735 5.295352 6.020523 5.026464 7.640856 8.073660 6.331655 2.784354 7.325718 5.354931 5.948504 2.424665 2.422176 1.394976 1.396463 0.000000 2.625281 3.346088 4.349464 7.591414 3.430699 4.655738 2.149064 3.503728 2.761585 1.091310 3.387241 4.585865 4.105974 5.851627 5.485539 6.216356 5.682638 6.779906 5.953038 8.470232 7.917781 7.225208 8.121468 8.285494 9.776425 9.470648 10.791797 10.661249 0.000000 3.371685 2.957138 5.405419 6.469434 3.999515 5.201195 2.151056 2.849436 2.808449 1.090001 4.265464 4.193892 2.840752 5.191952 4.176096 5.175069 5.868236 6.915025 5.908224 7.454359 7.847768 6.979045 7.884006 7.385085 8.754829 8.654273 9.841515 9.804320 1.773900 0.000000 2.694877 4.138319 4.876404 6.532397 4.265956 5.632529 2.143398 2.819687 3.474240 1.090722 3.930000 3.787565 3.347651 4.897254 4.570663 5.216953 6.417636 7.652860 6.298012 7.581267 8.620602 7.449644 8.539733 7.674850 8.787298 8.963088 9.927202 10.012265 1.784250 1.777329 0.000000 2.370161 4.541206 3.373788 4.549913 3.519686 4.510492 2.762171 2.159152 3.570860 4.020574 2.867649 1.081567 3.399409 2.135593 3.870358 3.376307 4.649231 6.016018 3.816764 5.033452 6.604708 4.703584 6.057232 4.906632 6.141189 5.936614 6.988754 6.905089 4.674724 4.686525 4.015789 0.000000 4.140661 2.992409 6.089641 4.526056 4.453354 5.477325 2.729082 2.160159 3.157854 2.847387 4.919868 3.400383 1.082350 3.870803 2.137621 3.376700 5.594255 6.577077 5.226020 5.500649 7.153500 5.937829 6.874488 5.498911 6.792993 6.807314 7.882091 7.896233 3.799779 2.238722 3.253272 4.304195 0.000000 4.132187 2.956491 3.550463 8.332475 1.982913 1.015456 4.130990 5.063569 2.787534 4.997135 3.106308 5.554912 5.788925 6.604396 6.797621 7.138118 2.056884 2.557776 3.306007 8.484446 3.937954 4.457658 4.718705 7.576661 9.810678 8.202627 10.290731 9.566270 4.712039 5.325872 5.944220 5.398136 5.811881 0.000000 4.762379 5.967485 5.670835 2.652529 5.528087 6.273854 4.696349 3.406492 5.348018 5.856884 5.203971 2.155141 3.871633 1.083062 3.397256 2.147211 5.894785 7.056988 4.649085 2.907565 7.185370 4.857070 6.212216 3.182813 3.788756 4.203967 4.680984 4.860449 6.729230 6.207972 5.764163 2.467665 4.953723 7.196672 0.000000 5.847004 4.898235 7.599405 2.604675 6.161655 6.996073 4.680153 3.409184 5.083376 5.132480 6.557590 3.871776 2.159513 3.395873 1.083032 2.143320 6.657849 7.533470 5.851155 3.645021 7.683445 6.047543 6.999706 4.022558 4.760969 5.348247 5.918176 6.172414 6.162007 4.660725 5.271034 4.953144 2.473637 7.508949 4.282436 0.000000 6.131109 4.337132 5.342596 8.887343 3.926888 2.631837 5.999074 6.528908 4.558099 7.025061 5.061437 6.829645 7.023587 7.548531 7.716784 7.937528 2.153200 1.084950 3.402827 8.700815 2.156382 3.871521 3.407342 7.529534 9.931818 7.794961 10.121898 9.142803 6.901019 7.179209 7.989675 6.768706 7.102955 2.349825 8.009681 8.288177 0.000000 3.443098 3.543783 3.408862 5.192956 2.550471 2.713153 3.459349 3.197605 2.969037 4.965829 2.903058 2.825136 4.037150 3.417449 4.467858 4.179217 2.162042 3.408123 1.082869 5.143376 3.872425 2.147177 3.400150 4.292542 6.377237 4.965568 6.840424 6.232886 5.399412 5.367436 5.520634 2.735976 4.717039 3.664690 3.754205 5.361540 4.303284 0.000000 7.743459 5.800800 7.050727 8.749823 5.708202 4.565172 7.487347 7.554377 6.151175 8.681349 6.777009 7.617767 7.823966 7.923404 8.112147 8.137265 3.393043 2.142218 3.873785 8.212154 1.084206 3.393910 2.155899 6.869173 9.254917 6.722975 9.133740 7.952964 8.796779 8.721692 9.586520 7.688346 8.037039 4.628465 8.217865 8.536009 2.473071 4.956611 0.000000 5.840004 5.218099 5.719993 4.955685 4.853099 4.602172 5.647265 4.956073 5.072347 7.103750 5.351488 4.395866 5.297107 4.180381 5.112503 4.544671 3.391159 3.870444 2.142320 4.273040 3.393985 1.083878 2.153556 2.998265 5.272556 3.036251 5.285307 4.322276 7.660017 7.287181 7.637826 4.555471 6.018600 5.403668 4.185163 5.728831 4.955334 2.457035 4.295637 0.000000 7.644934 6.166187 7.213484 7.024789 6.069940 5.305186 7.362894 6.941641 6.363716 8.727130 6.903457 6.670748 7.120384 6.565629 7.012349 6.714973 3.881503 3.404491 3.405878 6.219149 2.157702 2.155461 1.083644 4.826354 7.081851 4.398273 6.785521 5.538172 9.120588 8.779120 9.455414 6.835890 7.590539 5.784177 6.654055 7.414515 4.303397 4.293279 2.489458 2.486760 0.000000 5.909325 5.164120 6.647606 2.708074 5.519909 5.790824 5.306430 4.109511 5.150428 6.546386 5.961438 3.659708 3.914430 2.891655 3.198712 2.578923 4.860793 5.553196 3.622485 2.158026 5.244689 3.138778 4.127217 1.082326 3.408532 2.154346 3.876497 3.405004 7.372065 6.508108 6.911423 4.325283 4.699233 6.544546 3.128340 3.615512 6.570152 3.413434 6.110227 2.419355 4.320931 0.000000 8.639207 8.822211 9.720812 2.562634 9.137770 9.724640 8.146967 6.634968 8.643418 9.056121 9.135136 5.883494 6.224018 4.496720 4.933340 3.893390 8.985808 9.800460 7.662424 2.144001 9.447607 7.216612 8.202436 3.401017 1.083526 3.873104 2.164797 3.411340 10.082160 9.008600 8.934331 6.529612 7.070275 10.553647 4.138056 4.937313 10.830640 7.133455 10.267341 6.254315 8.139191 4.293266 0.000000 7.871607 7.063411 8.053506 4.581287 7.148425 7.007794 7.484957 6.433850 7.094213 8.832869 7.621966 5.801615 6.364299 5.003134 5.637698 4.889425 5.765410 6.025006 4.566415 3.383702 5.192222 3.400815 3.817553 2.142271 3.874034 1.084332 3.397184 2.155548 9.561758 8.845852 9.251278 6.196231 7.105278 7.751806 4.807599 5.917849 7.080421 4.749196 5.797470 2.482005 3.397339 2.467385 4.957346 0.000000 10.102452 10.066059 10.749000 4.511287 10.219798 10.508222 9.725474 8.295878 9.940569 10.843273 10.313413 7.426689 8.011002 6.091921 6.789098 5.709524 9.516515 10.083380 8.162267 3.385695 9.423504 7.341858 8.055152 3.878283 2.144243 3.396088 1.084122 2.155647 11.796791 10.836150 10.865901 7.913499 8.869023 11.354679 5.536889 6.819018 11.155802 7.874198 10.087281 6.285945 7.689539 4.960603 2.488319 4.297869 0.000000 9.786153 9.350271 10.035523 5.259343 9.395114 9.364307 9.459667 8.221305 9.310356 10.755696 9.680108 7.398444 8.072799 6.291408 7.066183 6.088140 8.173237 8.472099 6.905631 3.868022 7.590827 5.799363 6.205233 3.405982 3.403937 2.155123 2.156343 1.083674 11.582302 10.774760 11.002949 7.780725 8.890248 10.162942 5.805079 7.208244 9.530944 6.916916 8.112081 4.798552 5.634058 4.299355 4.309317 2.487794 2.487341 0.000000 C22H18N2O4 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 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.8238,-1.8195,1.2243;2.5918,-.2887,-1.9385;3.5659,-.1388,2.5324;-3.3422,-1.9422,-.3669;3.15,.1562,.2594;3.3639,1.5231,.1944;2.3472,-1.9813,-.1542;.8257,-2.0899,-.1584;2.704,-.6331,-.7854;3.0958,-3.1429,-.7843;3.2138,-.5543,1.459;.0785,-1.7878,.9847;.1604,-2.3729,-1.3555;-1.3103,-1.7469,.9296;-1.2297,-2.3224,-1.4197;-1.9522,-1.9912,-.28;2.2036,2.3169,-.0391;2.3641,3.5628,-.654;.9371,1.9045,.3851;-3.9735,-.7357,-.0716;1.2598,4.3904,-.8388;-.1618,2.7398,.1873;-.0099,3.9849,-.4218;-3.3359,.4978,-.205;-5.3082,-.8148,.3214;-4.0506,1.6629,.0731;-6.0114,.3582,.5885;-5.3867,1.6015,.4694;4.1712,-2.9716,-.7121;2.8242,-3.2349,-1.8359;2.8346,-4.0657,-.2647;.5724,-1.5701,1.9219;.7184,-2.6006,-2.2545;4.1362,1.7319,-.4309;-1.8916,-1.4991,1.8091;-1.752,-2.515,-2.3487;3.3484,3.8747,-.9873;.7988,.9411,.8599;1.3939,5.3532,-1.3191;-1.1408,2.4093,.5144;-.868,4.6292,-.5726;-2.3007,.5531,-.5163;-5.7774,-1.7869,.4158;-3.5538,2.6215,-.0269;-7.049,.2972,.8967;-5.9353,2.5111,.6839; 0.2546502 0.1343457 0.1003202 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= 724 RedAO= T EigKep= 1.02D-06 NBF= 724 NBsUse= 721 1.00D-06 EigRej= 9.10D-07 NBFU= 721 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= 744 744 744 744 744 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1259.98475631925 -1259.98475631928 -0.000000000030 -1259.98475632 2 1.254763390615e+03 -8.028144351395e+03 2.967124080332e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414432450 LenY= 1413866194 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= 46. Will process 47 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 14220 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= 760000000 NMat= 138 IRICut= 345 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 6.11D-14 1.00D-09 XBig12= 3.67D+02 5.49D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 6.11D-14 1.00D-09 XBig12= 5.25D+01 1.03D+00. 138 vectors produced by pass 2 Test12= 6.11D-14 1.00D-09 XBig12= 4.13D-01 4.34D-02. 138 vectors produced by pass 3 Test12= 6.11D-14 1.00D-09 XBig12= 1.88D-03 2.59D-03. 138 vectors produced by pass 4 Test12= 6.11D-14 1.00D-09 XBig12= 4.15D-06 1.04D-04. 133 vectors produced by pass 5 Test12= 6.11D-14 1.00D-09 XBig12= 7.13D-09 4.99D-06. 59 vectors produced by pass 6 Test12= 6.11D-14 1.00D-09 XBig12= 1.06D-11 3.06D-07. 3 vectors produced by pass 7 Test12= 6.11D-14 1.00D-09 XBig12= 1.70D-14 1.54D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 885 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 408.88 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 469.021 -19.415 405.914 -14.830 -0.362 351.698 487.264 -12.683 421.589 -15.871 -2.009 381.971 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT161643.100S Wed Oct 9 08:13:20 2024 -19.19898 -19.17138 -19.14596 -19.14154 -14.42255 -14.38085 -10.36221 -10.32039 -10.28114 -10.24458 -10.24403 -10.22660 -10.20269 -10.18877 -10.18825 -10.18437 -10.18424 -10.17990 -10.17989 -10.17917 -10.17841 -10.17779 -10.17767 -10.17702 -10.17696 -10.17541 -10.17302 -10.17150 -1.16300 -1.09569 -1.08580 -1.06858 -1.03744 -0.90030 -0.88109 -0.86151 -0.84875 -0.82184 -0.76905 -0.76319 -0.75565 -0.75429 -0.74864 -0.73377 -0.69699 -0.66068 -0.65437 -0.63383 -0.62925 -0.62376 -0.61612 -0.59965 -0.58966 -0.56342 -0.55477 -0.55211 -0.53150 -0.50707 -0.50230 -0.49939 -0.49041 -0.48618 -0.48014 -0.47932 -0.45867 -0.45204 -0.44785 -0.44641 -0.44388 -0.43859 -0.43494 -0.43252 -0.42772 -0.42328 -0.42031 -0.40779 -0.40536 -0.39969 -0.39196 -0.38482 -0.37161 -0.36817 -0.36680 -0.36534 -0.35112 -0.34788 -0.34293 -0.33692 -0.33482 -0.33031 -0.32059 -0.30349 -0.27268 -0.26476 -0.26339 -0.26125 -0.23610 -0.23196 -0.05284 -0.03281 -0.02314 -0.01963 -0.01582 -0.01263 -0.00748 0.00275 0.01153 0.01550 0.02140 0.02331 0.02590 0.02873 0.03637 0.03894 0.04236 0.04529 0.04679 0.04902 0.05154 0.06072 0.06385 0.06443 0.06588 0.06976 0.07193 0.07485 0.08130 0.08589 0.08636 0.09357 0.09588 0.09768 0.10142 0.10597 0.10791 0.10915 0.11168 0.11811 0.12073 0.12328 0.12448 0.12598 0.12725 0.12999 0.13227 0.13535 0.13798 0.13946 0.14295 0.14463 0.14848 0.15110 0.15381 0.15586 0.15966 0.16189 0.16587 0.16762 0.16937 0.17402 0.18034 0.18344 0.18365 0.18524 0.19169 0.19210 0.19295 0.19501 0.19543 0.19744 0.20078 0.20280 0.20485 0.20832 0.20887 0.21179 0.21331 0.21705 0.21788 0.22060 0.22274 0.22505 0.22623 0.22785 0.23127 0.23341 0.23544 0.23616 0.23810 0.24220 0.24365 0.24687 0.25008 0.25179 0.25351 0.25585 0.25768 0.26283 0.26415 0.26444 0.26948 0.27036 0.27295 0.27452 0.27874 0.28043 0.28243 0.28417 0.28508 0.29158 0.29389 0.29623 0.29923 0.30349 0.30388 0.30631 0.30974 0.31214 0.31281 0.31549 0.32065 0.32270 0.32463 0.32879 0.33068 0.33240 0.33569 0.33784 0.34511 0.34633 0.34859 0.35028 0.35280 0.35356 0.35812 0.36311 0.36885 0.37319 0.37757 0.37933 0.38401 0.38796 0.39211 0.39384 0.39809 0.40145 0.40442 0.41003 0.41409 0.42097 0.42513 0.42807 0.43518 0.44240 0.44571 0.46404 0.47050 0.47810 0.48383 0.49122 0.49737 0.49820 0.50965 0.51805 0.52217 0.52906 0.53360 0.53693 0.53974 0.54533 0.54995 0.55282 0.55701 0.56072 0.56633 0.56667 0.57196 0.57793 0.58368 0.58652 0.59460 0.60124 0.60781 0.60925 0.61010 0.61961 0.62550 0.63020 0.63371 0.63674 0.63747 0.64436 0.64935 0.65583 0.66038 0.66332 0.67355 0.67734 0.67974 0.68528 0.69131 0.69157 0.69783 0.70106 0.70565 0.70843 0.70947 0.71733 0.72010 0.72204 0.72451 0.72911 0.73558 0.73791 0.74008 0.74434 0.74496 0.75454 0.75850 0.76145 0.76413 0.77101 0.77554 0.78169 0.79254 0.80033 0.80191 0.80514 0.81690 0.81873 0.82452 0.82910 0.83256 0.83609 0.84015 0.84319 0.84906 0.85295 0.85648 0.86220 0.86594 0.87066 0.87767 0.88476 0.88591 0.89032 0.89897 0.90301 0.90400 0.91352 0.92603 0.92908 0.93724 0.94488 0.94733 0.95587 0.96954 0.97576 0.98077 0.98301 0.99320 0.99974 1.00889 1.01448 1.01690 1.02493 1.03130 1.03719 1.03906 1.04531 1.05294 1.05778 1.06879 1.07199 1.07562 1.08568 1.08803 1.09494 1.10043 1.10479 1.10895 1.12059 1.13191 1.13681 1.14160 1.14946 1.15194 1.15598 1.16442 1.16726 1.17965 1.18250 1.20217 1.21106 1.21784 1.22722 1.24498 1.25972 1.26306 1.28648 1.29193 1.29839 1.31316 1.31373 1.32334 1.32873 1.34464 1.34951 1.36462 1.38203 1.39100 1.40524 1.42035 1.42794 1.43529 1.45313 1.46802 1.47617 1.48540 1.50294 1.50590 1.51068 1.52033 1.52369 1.53433 1.53610 1.54224 1.54422 1.55115 1.56031 1.56410 1.56804 1.57088 1.57496 1.57838 1.58342 1.58508 1.59687 1.60016 1.60763 1.60935 1.61346 1.61985 1.63979 1.64370 1.65240 1.66048 1.66470 1.66827 1.68113 1.68409 1.69049 1.69838 1.71041 1.72038 1.72431 1.73614 1.74372 1.75359 1.75782 1.76285 1.77285 1.78170 1.78519 1.79172 1.79802 1.80396 1.80792 1.81400 1.82124 1.82797 1.84206 1.84609 1.84946 1.86682 1.88005 1.88863 1.89797 1.90769 1.90990 1.91958 1.92403 1.92674 1.93042 1.94205 1.94330 1.95074 1.95548 1.95873 1.96886 1.97508 1.97977 1.98941 1.99207 1.99809 1.99944 2.00612 2.01441 2.02110 2.02819 2.02971 2.04164 2.04427 2.05874 2.06409 2.06645 2.08015 2.08415 2.09414 2.09817 2.10712 2.11300 2.12596 2.13058 2.13800 2.14297 2.16403 2.18215 2.21110 2.23086 2.25371 2.27308 2.28175 2.29598 2.31377 2.33633 2.34175 2.34767 2.35310 2.36284 2.39676 2.40587 2.40692 2.41272 2.42349 2.43426 2.43523 2.45444 2.46049 2.48192 2.49415 2.49925 2.51527 2.52918 2.55148 2.56367 2.59430 2.61446 2.62802 2.63349 2.63580 2.64374 2.64987 2.66210 2.66461 2.67517 2.68056 2.69082 2.69787 2.70134 2.70593 2.70879 2.71758 2.72500 2.73034 2.73386 2.75234 2.75800 2.76095 2.76528 2.77070 2.77761 2.78288 2.78475 2.79728 2.80162 2.80564 2.81521 2.81636 2.82446 2.82623 2.83597 2.83958 2.84838 2.85476 2.86367 2.87533 2.87654 2.88123 2.88834 2.89376 2.89947 2.91202 2.91832 2.92861 2.93227 2.93687 2.94590 2.94849 2.95952 2.96029 2.97385 2.98466 3.00153 3.02338 3.03136 3.03921 3.06817 3.08828 3.09780 3.10154 3.10693 3.11253 3.12508 3.14905 3.15278 3.17054 3.20074 3.20700 3.22068 3.22888 3.23511 3.29549 3.30725 3.33577 3.34593 3.35980 3.36402 3.37508 3.38197 3.38999 3.41944 3.43476 3.46203 3.48507 3.49567 3.50480 3.52015 3.52586 3.53929 3.54309 3.55954 3.58026 3.59331 3.62783 3.64129 3.65660 3.68578 3.68902 3.78106 3.82884 3.83286 3.84303 3.85825 3.96454 3.97487 3.99952 4.01036 4.01730 4.02178 4.03385 4.05275 4.09383 4.11338 4.11978 4.15462 4.16311 4.16687 4.17257 4.19113 4.20542 4.21822 4.23339 4.34406 4.35360 4.83326 4.84427 4.84957 4.85374 4.89613 5.08619 5.12048 5.14116 5.15300 5.15920 5.21425 5.31022 5.43006 5.44107 5.71669 5.81478 5.85824 5.92558 23.59841 23.62171 23.62874 23.77904 23.86491 23.89591 23.93879 23.95907 23.96728 23.96822 23.97516 23.97828 23.98076 24.06564 24.07361 24.07402 24.09623 24.09949 24.10712 24.18882 24.19421 24.19634 35.49582 35.57022 49.92864 49.98185 49.99347 50.06681 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 O O O O N 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 -0.017091 -0.345059 -0.399020 -0.034955 -0.013628 -0.108516 0.347960 0.539525 0.168557 -0.396565 0.332046 -0.325611 -0.265238 -0.231231 -0.443028 -0.319977 -0.251714 -0.339610 0.256795 -0.677034 -0.244965 -0.155460 -0.293719 1.218067 -0.437466 -0.299081 -0.269889 -0.406180 0.193944 0.205395 0.202058 0.184416 0.174834 0.323257 0.178559 0.173997 0.160392 0.217302 0.167808 0.177897 0.165526 0.204775 0.164320 0.184553 0.169927 0.163126 -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 O O O O N N C C C C C C C C C C C C C C C C C C C C C C -0.017091 -0.345059 -0.399020 -0.034955 -0.013628 0.214741 0.347960 0.539525 0.168557 0.204831 0.332046 -0.141195 -0.090404 -0.052671 -0.269031 -0.319977 -0.251714 -0.179218 0.474097 -0.677034 -0.077156 0.022436 -0.128192 1.422843 -0.273146 -0.114527 -0.099962 -0.243053 0.00000 -1.47565138e-01 -9.36517029e-02 -1.24075716e+00 4.69020631e+02 -1.94152809e+01 4.05914433e+02 -1.48298158e+01 -3.62265648e-01 3.51697804e+02 -3.7338 -0.0009 -0.0006 0.0004 7.3817 9.1198 15.2479 30.3889 35.0945 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 14.4005 30.3030 35.0028 39.2673 52.8755 58.2103 77.7625 90.5135 100.8634 123.7980 170.0317 192.1879 199.0812 221.7797 237.4335 254.5776 265.8697 274.4207 319.4612 330.9821 340.4981 362.9057 395.7841 418.3391 419.9606 425.2274 431.6398 445.1771 491.7740 501.1004 520.8194 537.2180 577.6739 599.3902 608.5247 621.5046 632.6972 638.2681 650.8214 661.1904 702.8419 704.2712 709.5643 726.0288 749.9526 763.4235 765.2618 771.0821 773.1524 805.5227 837.2746 839.9505 846.6010 849.5066 854.8802 873.4414 889.7558 910.8073 916.7749 945.4672 974.5967 987.7661 991.4574 992.4437 1002.5979 1003.7833 1010.1429 1010.7492 1014.1261 1031.7274 1042.1060 1050.0591 1083.3051 1100.5223 1101.4088 1114.6083 1143.6684 1173.4125 1174.0811 1177.9154 1183.2545 1189.7698 1197.6982 1212.0023 1222.9630 1234.8640 1245.1883 1247.4839 1266.4515 1317.6643 1329.9567 1332.2439 1338.3642 1348.6086 1364.3089 1407.1664 1418.4858 1436.8404 1468.3541 1470.4362 1479.0794 1479.6451 1512.1330 1519.9137 1528.6634 1536.8418 1618.9063 1623.4029 1630.2563 1631.9797 1635.6349 1644.1448 1727.3753 1817.2280 3054.3726 3132.3402 3144.3518 3167.1798 3170.7464 3177.5105 3178.2473 3187.6509 3189.5462 3193.7512 3193.9521 3195.2935 3197.2266 3202.6417 3205.3549 3208.4519 3211.9655 3534.1079 5.9544 5.1265 4.0925 5.1924 4.8160 5.3347 6.9501 5.5857 5.6847 8.1004 5.9256 4.6468 4.7929 2.2587 1.9244 2.2066 5.7059 5.4332 5.6269 4.6097 4.5022 5.7275 5.8747 4.0074 3.0166 3.1188 3.5905 5.4909 2.7694 3.3696 3.7716 4.4159 3.2372 5.2968 5.3481 6.0195 6.6101 6.3766 6.5294 5.4822 2.2297 2.2535 3.3327 4.4824 5.2652 4.5665 2.0286 2.0707 3.5992 4.8512 1.2595 1.2535 1.4116 2.8144 3.0392 2.0828 5.2716 1.4416 1.4540 3.8180 1.3794 1.3548 1.3467 1.3679 3.6795 1.2834 2.0756 5.8222 2.1431 2.7694 2.0936 2.2101 3.0088 2.0790 1.5577 1.6050 1.5824 4.3462 1.1299 1.2333 3.1166 1.1847 1.3268 1.1476 2.6543 3.6829 3.7484 4.5613 4.6207 3.8490 5.0440 3.6580 1.5713 1.7223 1.4390 1.7691 2.5618 2.7932 1.9533 1.0625 1.3829 1.5075 2.1929 1.8522 1.6864 2.3503 6.2899 5.8717 6.2940 4.9614 5.4171 5.9985 12.7364 12.3319 1.0345 1.1051 1.1031 1.0878 1.0867 1.0897 1.0898 1.0913 1.0931 1.0929 1.0900 1.0900 1.0967 1.0950 1.0950 1.0948 1.0943 1.0770 0.0007 0.0028 0.0030 0.0047 0.0079 0.0107 0.0248 0.0270 0.0341 0.0731 0.1009 0.1011 0.1119 0.0655 0.0639 0.0843 0.2376 0.2411 0.3383 0.2975 0.3075 0.4444 0.5422 0.4132 0.3135 0.3323 0.3941 0.6411 0.3946 0.4985 0.6028 0.7509 0.6365 1.1212 1.1668 1.3699 1.5590 1.5305 1.6295 1.4121 0.6489 0.6585 0.9886 1.3921 1.7448 1.5681 0.7000 0.7254 1.2676 1.8546 0.5202 0.5211 0.5961 1.1967 1.3086 0.9362 2.4588 0.7046 0.7200 2.0108 0.7719 0.7788 0.7799 0.7938 2.1792 0.7619 1.2478 3.5045 1.2986 1.7369 1.3396 1.4358 2.0804 1.4836 1.1133 1.1748 1.2195 3.5259 0.9177 1.0082 2.5709 0.9880 1.1213 0.9932 2.3390 3.3089 3.4242 4.1823 4.3665 3.9374 5.2566 3.8252 1.6583 1.8455 1.5781 2.0639 3.0371 3.3976 2.4813 1.3535 1.7824 1.9445 2.9543 2.5210 2.3218 3.2706 9.7127 9.1173 9.8557 7.7855 8.5386 9.5537 22.3909 23.9938 5.6863 6.3885 6.4260 6.4287 6.4369 6.4826 6.4858 6.5331 6.5519 6.5680 6.5514 6.5567 6.6051 6.6174 6.6282 6.6399 6.6519 7.9257 0.5720 0.3457 0.1466 1.1898 1.5401 0.3399 0.0061 0.5671 0.6247 12.2208 3.3003 0.4936 0.7610 1.8045 1.8338 8.0786 3.6267 1.4367 33.6154 2.4375 4.4899 2.4475 2.8248 3.3138 0.2356 1.0053 1.7718 21.5054 77.7491 43.8636 40.6135 44.2426 66.3493 15.0290 25.9057 3.9898 4.0522 8.0178 1.1998 41.7601 48.3335 49.5286 5.3200 39.8223 34.5738 18.8429 201.8691 104.1157 79.0920 23.7231 1.5309 0.9433 4.6547 14.6639 40.1059 82.9005 72.7375 16.0741 9.7028 127.8372 0.7719 0.0771 0.0679 0.7054 6.4727 0.3002 0.4407 1.4559 0.1648 27.0376 29.7889 8.5118 232.7058 19.3024 14.7688 12.8581 95.1090 217.1265 7.2099 26.1299 191.8614 15.2819 33.7839 13.7207 111.6867 207.1875 65.8730 71.1760 720.1340 2.6420 16.6865 2.6959 9.5744 9.9367 6.4950 63.4959 174.2960 14.4431 65.8067 10.5938 8.2520 9.3467 258.6108 31.3930 75.5690 177.3598 25.6712 133.0892 48.3060 16.7011 122.4822 19.3057 2015.4183 246.2851 12.5699 17.1053 7.3608 4.7350 1.0143 7.7351 11.8781 12.6907 25.7316 17.4482 4.1598 0.1268 10.0460 1.2798 2.3878 3.0805 0.8639 99.1830 -0.06 0.01 0.06 0.09 -0.04 0.03 -0.11 0.02 0.07 0.01 0.06 -0.21 -0.01 -0.01 0.04 0.01 -0.01 0.03 -0.00 -0.01 0.04 -0.00 0.01 -0.02 0.04 -0.02 0.04 0.02 -0.02 0.09 -0.06 0.01 0.06 -0.05 0.04 -0.06 0.04 -0.01 -0.04 -0.04 0.06 -0.12 0.05 0.01 -0.10 0.00 0.05 -0.14 0.02 -0.00 -0.02 0.06 -0.01 -0.04 0.00 0.02 -0.06 -0.01 0.01 -0.04 0.07 -0.00 -0.09 0.02 0.03 -0.12 0.05 0.02 -0.13 -0.06 0.04 0.01 0.03 -0.06 0.07 -0.07 -0.00 0.16 0.01 -0.11 0.22 -0.03 -0.08 0.27 0.01 -0.03 0.13 0.06 -0.04 0.08 -0.01 -0.01 0.09 -0.08 0.04 -0.04 0.08 -0.03 -0.02 0.03 -0.03 0.06 -0.07 0.08 -0.14 0.08 0.00 -0.12 0.07 -0.03 -0.01 -0.03 0.03 -0.05 0.10 -0.01 -0.10 0.00 0.04 -0.15 0.07 0.02 -0.18 -0.09 0.09 -0.08 0.07 -0.09 0.03 -0.11 0.02 0.20 0.04 -0.16 0.31 -0.04 -0.11 0.39 -0.00 -0.01 -0.02 -0.00 0.03 -0.00 0.02 -0.03 -0.00 -0.03 -0.05 0.10 0.01 0.00 0.00 0.05 -0.01 0.02 -0.02 0.02 -0.01 -0.02 0.03 0.00 -0.00 0.02 -0.00 -0.04 0.01 -0.04 0.01 -0.01 -0.00 -0.00 -0.03 0.03 -0.04 0.07 0.00 -0.00 -0.05 0.06 -0.04 0.05 0.03 -0.02 -0.02 0.06 0.08 0.03 -0.01 0.16 0.06 0.07 0.04 0.04 -0.12 -0.06 -0.06 0.05 0.19 0.10 0.04 0.07 0.08 -0.16 0.15 0.11 -0.08 -0.06 -0.05 0.13 -0.09 -0.08 -0.07 -0.09 -0.06 0.09 -0.13 -0.09 -0.12 -0.13 -0.08 -0.04 -0.04 -0.00 -0.05 -0.06 0.03 -0.03 -0.05 0.01 -0.04 0.01 -0.05 0.03 -0.05 0.11 -0.02 0.08 -0.02 0.05 0.01 -0.10 0.08 -0.05 0.08 0.03 0.19 0.06 0.16 -0.02 0.02 -0.18 0.25 0.13 0.10 0.04 0.09 -0.25 0.18 0.14 -0.10 -0.03 -0.03 0.22 -0.09 -0.09 -0.14 -0.09 -0.06 0.15 -0.16 -0.11 -0.22 -0.16 -0.09 -0.07 0.02 -0.00 0.00 0.05 0.02 0.01 0.02 -0.02 0.02 0.01 0.04 0.00 0.03 0.00 0.02 0.02 0.01 0.03 0.01 0.01 0.00 0.01 0.04 -0.00 0.03 0.01 0.01 -0.01 0.00 -0.01 0.02 -0.01 0.01 0.01 -0.04 0.01 0.01 0.12 -0.03 0.01 -0.04 0.02 0.01 0.13 -0.03 0.01 0.05 -0.00 0.00 -0.03 -0.00 -0.05 -0.09 -0.14 0.03 -0.00 0.11 -0.01 0.03 0.01 -0.07 -0.13 -0.17 0.01 -0.04 0.08 -0.05 -0.10 -0.06 0.01 0.03 0.16 -0.05 0.01 -0.14 -0.01 0.02 0.17 -0.07 -0.01 -0.13 -0.05 -0.00 0.03 -0.00 -0.01 -0.02 -0.02 0.01 -0.00 -0.02 0.01 -0.01 0.01 -0.11 0.03 0.02 0.18 -0.04 0.01 0.01 0.01 0.01 -0.10 0.03 0.02 0.20 -0.04 -0.08 -0.11 -0.23 0.07 0.04 0.21 -0.12 -0.18 -0.28 0.03 -0.02 0.17 -0.06 -0.13 -0.08 0.04 0.05 0.27 -0.07 0.00 -0.26 0.01 0.02 0.29 -0.11 -0.02 -0.25 -0.07 -0.01 0.03 -0.02 0.06 0.04 0.01 -0.16 -0.07 -0.01 0.15 -0.07 0.01 0.03 -0.08 -0.01 -0.01 -0.10 0.00 -0.02 -0.18 0.00 -0.04 0.05 0.00 -0.04 0.03 0.00 -0.08 -0.04 0.01 -0.09 0.14 -0.01 0.07 -0.05 -0.02 0.00 0.01 0.02 -0.08 0.03 -0.01 0.02 -0.02 0.03 -0.06 -0.00 0.01 0.00 -0.03 -0.00 0.00 -0.07 -0.02 0.04 -0.00 0.02 -0.00 -0.02 0.01 0.02 -0.03 -0.01 0.08 0.13 0.02 0.04 0.12 0.01 0.08 0.20 0.02 0.02 0.11 -0.03 -0.00 -0.14 0.01 0.01 0.14 -0.04 -0.02 -0.11 -0.02 -0.01 0.04 0.01 -0.08 0.14 0.02 -0.17 0.15 0.01 -0.05 0.21 -0.03 0.03 0.01 0.04 -0.12 0.05 -0.05 -0.06 -0.26 -0.03 0.06 -0.04 0.04 -0.08 -0.01 -0.03 0.04 -0.04 0.02 -0.03 -0.07 -0.02 0.11 0.19 0.04 0.04 0.17 0.02 0.11 0.31 0.05 0.04 0.18 -0.04 -0.01 -0.26 0.03 0.01 0.25 -0.06 -0.03 -0.19 -0.03 -0.03 0.07 0.03 -0.02 -0.01 -0.06 0.04 0.02 0.15 -0.06 -0.02 0.01 0.06 -0.03 0.05 -0.01 0.00 0.05 -0.01 0.02 0.01 0.00 -0.01 0.01 0.01 0.01 -0.00 0.02 0.01 0.02 0.02 -0.04 0.09 -0.03 -0.01 0.01 0.21 -0.04 -0.00 -0.16 0.06 0.02 0.24 -0.04 0.00 -0.13 0.05 0.01 0.07 -0.00 0.04 -0.02 0.03 0.02 -0.03 -0.00 0.05 -0.01 0.07 -0.04 0.03 -0.02 0.00 -0.05 -0.01 0.04 -0.04 0.06 0.01 -0.05 0.03 -0.10 0.06 -0.02 -0.04 -0.04 -0.02 -0.16 0.02 -0.02 -0.10 -0.07 -0.02 -0.16 -0.04 -0.03 0.01 0.02 -0.00 0.05 0.06 -0.05 0.00 0.00 -0.07 0.02 0.34 -0.07 -0.02 -0.31 0.09 0.04 0.00 0.01 0.03 0.39 -0.08 -0.00 -0.27 0.08 0.01 -0.03 -0.04 0.07 0.00 0.10 -0.02 -0.06 -0.04 0.04 -0.04 0.08 0.00 -0.07 0.02 -0.11 0.11 -0.02 0.01 -0.06 -0.02 -0.21 0.05 -0.02 -0.10 -0.13 -0.03 -0.21 -0.07 -0.03 0.02 0.01 0.01 0.19 -0.09 -0.05 -0.01 0.05 -0.02 0.01 0.03 0.05 0.08 -0.02 -0.04 0.04 -0.02 -0.06 0.02 -0.01 0.01 0.01 0.08 -0.00 0.11 -0.05 -0.03 -0.06 -0.08 0.06 0.02 0.02 -0.01 0.02 0.01 0.02 0.01 0.20 -0.02 0.02 0.02 0.03 0.01 0.20 -0.01 0.01 0.09 0.02 0.02 -0.05 -0.02 -0.02 0.00 0.06 0.02 -0.11 -0.06 -0.04 0.02 0.02 -0.05 -0.02 0.11 -0.00 -0.14 -0.01 -0.04 -0.09 0.07 -0.10 0.04 -0.09 -0.01 -0.02 0.10 -0.15 0.02 -0.14 -0.05 -0.04 0.06 -0.12 -0.02 -0.06 -0.04 -0.15 0.04 -0.08 -0.12 0.07 -0.11 -0.04 0.11 0.03 -0.07 0.04 0.01 0.27 -0.04 0.03 0.00 -0.07 0.02 -0.05 0.05 0.01 0.27 -0.03 -0.03 0.06 0.09 0.05 -0.14 -0.12 -0.07 0.01 0.17 0.01 -0.19 -0.04 -0.06 -0.11 0.11 -0.12 0.06 -0.15 0.04 -0.04 0.20 -0.20 0.04 -0.22 -0.03 -0.07 0.13 -0.16 -0.03 -0.10 -0.10 0.11 0.07 -0.17 0.06 0.04 0.20 0.06 -0.04 -0.08 -0.08 -0.09 0.11 0.03 -0.03 0.15 0.02 -0.06 -0.09 0.08 0.06 -0.08 0.05 0.02 -0.07 0.06 0.03 -0.07 0.07 0.11 0.08 0.06 -0.01 -0.13 -0.06 0.02 -0.03 0.10 -0.01 -0.13 -0.13 -0.02 -0.03 0.04 -0.06 -0.08 -0.07 -0.06 0.13 0.02 0.00 0.07 -0.00 -0.06 0.16 0.01 0.09 -0.05 -0.07 -0.07 0.04 -0.04 -0.03 0.13 -0.03 0.11 0.07 -0.05 0.05 -0.03 -0.08 -0.12 -0.03 -0.04 0.02 0.01 -0.07 -0.08 0.02 -0.02 0.07 0.04 -0.04 0.02 -0.07 0.08 0.11 -0.06 0.02 0.11 -0.06 0.08 0.14 -0.16 -0.09 0.05 0.01 0.18 -0.01 0.09 -0.01 -0.14 -0.17 -0.21 -0.02 0.00 0.09 -0.09 0.04 0.00 -0.13 0.20 0.02 0.13 -0.01 -0.05 -0.07 0.15 -0.06 0.15 0.04 -0.08 0.06 -0.05 -0.11 -0.18 -0.04 -0.03 0.07 0.03 -0.08 -0.11 0.04 0.00 0.15 0.08 -0.02 0.06 0.03 0.01 0.04 -0.15 0.02 0.05 0.24 -0.02 -0.04 0.01 0.06 -0.07 0.02 0.00 0.01 -0.03 0.01 0.01 0.00 -0.00 0.05 0.01 -0.03 0.05 -0.05 0.01 0.04 0.03 0.02 0.04 0.10 -0.00 0.00 -0.02 -0.05 0.04 0.03 0.00 0.03 -0.02 -0.02 0.00 0.03 0.04 -0.01 0.01 0.03 -0.02 -0.04 -0.03 -0.01 -0.04 0.05 0.14 -0.07 -0.13 -0.19 0.01 0.05 -0.04 -0.06 0.01 0.09 -0.09 -0.16 -0.22 -0.09 -0.10 -0.09 0.02 0.05 0.04 -0.00 0.05 -0.08 0.04 0.05 0.09 0.01 0.04 -0.03 0.03 0.04 0.07 0.03 0.05 0.03 0.02 -0.00 0.05 0.07 0.01 0.06 -0.03 -0.07 0.05 0.05 0.01 0.04 -0.01 0.05 0.05 -0.03 -0.03 -0.00 0.06 0.07 -0.03 -0.02 0.14 0.30 -0.07 -0.18 -0.29 -0.06 0.06 0.21 -0.10 -0.23 -0.33 -0.11 -0.13 -0.12 0.03 0.05 0.05 -0.02 0.05 -0.15 0.05 0.04 0.16 -0.00 0.04 -0.06 0.04 0.04 0.11 0.07 -0.06 0.02 -0.12 -0.07 0.03 0.19 -0.07 -0.04 0.06 0.07 -0.05 -0.12 -0.03 0.02 -0.10 -0.03 -0.00 0.03 -0.08 0.04 0.04 -0.09 0.05 -0.07 -0.06 0.03 0.05 -0.05 0.02 0.06 -0.05 0.00 0.03 -0.15 0.06 0.06 0.05 0.00 0.03 -0.08 0.02 0.07 0.13 -0.03 0.05 0.05 -0.02 -0.08 0.01 -0.01 -0.02 -0.03 -0.08 -0.09 0.11 0.05 0.02 0.04 -0.02 0.04 0.05 -0.06 -0.04 0.19 0.06 0.03 0.16 0.02 -0.05 0.07 -0.07 0.05 -0.03 0.05 -0.11 0.04 -0.09 -0.01 -0.06 0.04 -0.09 -0.03 -0.04 0.05 -0.01 -0.03 0.01 -0.09 0.04 0.12 -0.06 0.05 0.02 -0.25 0.08 0.08 0.12 -0.00 -0.10 -0.06 -0.01 0.01 -0.14 0.03 0.08 0.23 -0.06 -0.01 -0.12 -0.14 -0.13 0.13 0.08 0.09 0.02 -0.10 -0.05 0.27 0.10 0.07 0.22 0.04 -0.06 0.12 -0.10 0.11 -0.05 0.10 -0.17 0.07 -0.14 0.00 -0.11 0.09 -0.14 -0.05 -0.06 -0.03 -0.00 0.01 0.35 -0.09 -0.04 0.35 -0.13 -0.05 -0.06 -0.09 -0.00 -0.09 0.03 0.05 -0.09 0.03 0.06 -0.04 0.02 0.01 -0.05 0.12 -0.02 0.10 -0.02 0.00 -0.16 -0.08 0.05 0.09 -0.04 -0.00 -0.06 0.15 -0.03 -0.04 0.05 -0.00 -0.06 0.06 -0.03 -0.05 -0.04 -0.00 -0.06 -0.05 -0.01 -0.08 0.04 0.03 -0.05 0.03 0.00 -0.10 0.08 0.02 -0.04 -0.07 -0.03 -0.03 0.05 -0.02 -0.08 0.10 -0.00 -0.05 0.09 -0.02 0.03 -0.10 -0.01 -0.04 -0.01 -0.04 0.10 -0.07 0.03 0.03 0.03 -0.00 0.10 -0.01 0.04 -0.14 -0.22 0.10 -0.13 -0.06 0.04 -0.30 -0.04 0.05 -0.07 0.22 -0.04 -0.03 0.03 0.00 -0.07 0.04 0.08 -0.07 0.08 -0.04 -0.04 -0.10 0.01 -0.04 0.00 0.00 -0.11 0.09 0.04 -0.00 0.04 -0.04 -0.09 0.13 -0.01 -0.03 0.11 -0.04 0.03 -0.14 -0.02 -0.10 0.02 -0.07 0.16 -0.10 0.05 0.03 0.08 -0.00 0.16 0.02 0.09 -0.08 0.06 0.01 0.23 -0.03 -0.04 0.10 0.01 -0.03 -0.05 0.07 -0.02 -0.02 0.04 0.01 0.04 0.04 0.01 -0.00 0.02 -0.02 -0.01 -0.13 -0.05 0.04 0.02 -0.01 0.17 0.11 0.02 0.00 0.04 -0.00 -0.02 -0.21 -0.03 -0.04 -0.17 -0.03 -0.02 -0.20 -0.02 -0.05 -0.15 -0.02 -0.05 -0.08 -0.03 0.03 0.05 0.05 0.01 0.06 0.05 0.04 0.03 0.05 -0.02 0.07 0.08 -0.02 0.00 -0.01 0.02 -0.02 -0.00 -0.02 -0.04 -0.06 -0.05 0.09 0.08 -0.02 0.06 0.09 -0.09 0.08 -0.01 -0.07 0.06 0.02 -0.11 0.07 -0.06 0.14 0.27 0.03 0.19 0.07 0.01 0.29 0.08 0.02 -0.02 -0.25 -0.02 -0.06 -0.19 -0.04 0.01 0.01 -0.03 -0.00 -0.23 0.01 -0.05 -0.14 -0.02 0.01 0.09 0.07 0.06 0.03 0.07 -0.05 -0.00 -0.03 0.02 -0.05 -0.01 -0.05 -0.09 -0.12 -0.04 0.10 0.10 -0.00 0.06 0.12 -0.12 0.09 -0.04 -0.07 0.04 -0.00 -0.15 0.07 -0.15 0.02 0.00 -0.03 -0.08 -0.09 -0.08 -0.03 0.07 -0.09 0.02 0.00 0.01 -0.06 0.00 -0.07 0.00 -0.00 0.01 0.00 -0.04 -0.01 0.00 -0.00 -0.00 -0.04 -0.04 -0.06 -0.06 -0.11 0.06 -0.02 0.02 -0.07 0.02 0.02 -0.00 0.01 0.01 -0.01 0.02 0.03 -0.00 0.01 0.03 -0.01 0.02 0.02 -0.00 0.03 0.09 0.20 0.04 0.10 0.22 0.04 0.11 0.23 0.02 -0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.03 -0.09 -0.21 0.02 -0.00 0.00 0.02 -0.01 -0.01 0.01 -0.01 0.00 0.02 -0.02 -0.01 0.01 -0.02 -0.00 -0.05 -0.13 -0.04 -0.14 -0.25 0.09 -0.04 -0.04 0.20 0.03 0.01 -0.01 0.01 0.02 -0.01 -0.05 0.00 -0.04 0.02 0.03 -0.00 0.01 0.04 -0.01 0.06 0.13 0.31 0.05 0.14 0.30 -0.00 -0.05 -0.10 -0.01 -0.02 -0.06 -0.08 -0.21 -0.47 0.02 0.00 0.00 0.03 -0.02 -0.01 0.01 -0.00 0.00 0.01 -0.02 -0.01 0.00 -0.02 -0.01 -0.13 0.03 0.04 -0.09 0.04 0.03 0.05 -0.04 0.01 0.02 -0.01 0.03 0.01 -0.01 0.01 -0.02 -0.01 0.02 -0.01 -0.00 -0.00 -0.01 0.03 -0.12 -0.01 0.00 0.01 0.04 -0.06 0.17 -0.02 -0.01 0.02 0.01 0.08 -0.13 0.00 0.03 -0.13 0.03 0.06 -0.12 -0.01 0.02 -0.11 0.02 0.01 -0.09 -0.02 -0.03 -0.01 -0.01 -0.03 -0.01 -0.03 -0.02 -0.03 0.06 -0.03 0.18 0.01 -0.01 0.01 -0.02 0.00 -0.01 0.00 0.01 0.01 0.08 -0.03 0.21 0.07 -0.02 0.18 0.03 -0.02 0.00 0.01 -0.00 -0.03 -0.02 0.00 -0.18 0.03 -0.02 0.15 0.04 -0.25 0.19 0.06 0.02 0.33 0.02 0.11 -0.14 0.01 0.02 -0.12 -0.00 0.01 0.04 0.03 0.09 -0.12 -0.02 0.01 -0.10 -0.00 -0.04 -0.01 -0.04 -0.02 -0.04 0.02 -0.00 0.02 -0.02 0.02 -0.00 0.01 0.04 0.04 0.10 -0.04 0.28 0.08 -0.02 0.24 0.03 -0.02 -0.04 -0.01 0.01 -0.11 -0.09 0.02 -0.41 -0.02 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.03 -0.04 0.09 -0.01 -0.01 0.00 -0.01 -0.01 0.01 0.03 -0.02 -0.01 0.02 -0.03 -0.05 -0.00 -0.01 -0.00 0.17 0.03 0.07 -0.01 -0.01 0.00 0.03 0.01 -0.05 -0.02 0.02 -0.04 0.03 0.06 -0.01 -0.03 0.06 -0.00 -0.01 0.04 0.02 -0.01 -0.01 0.01 0.00 -0.02 -0.00 -0.01 -0.00 0.01 -0.07 -0.03 -0.04 0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 -0.05 -0.04 -0.07 -0.08 0.01 -0.06 0.01 -0.02 -0.00 -0.02 0.04 0.01 0.03 0.02 0.08 0.15 0.33 -0.24 -0.07 -0.32 0.16 0.55 0.10 0.38 0.05 0.01 -0.05 -0.04 0.01 -0.05 -0.01 -0.01 0.01 0.07 0.08 0.00 -0.05 0.07 0.00 0.01 -0.03 -0.00 -0.02 -0.00 0.01 0.02 -0.01 -0.00 -0.01 0.01 -0.00 0.02 0.01 0.00 -0.06 -0.07 -0.10 -0.13 0.03 -0.08 0.05 -0.04 0.01 -0.02 0.07 0.03 0.09 0.03 0.17 -0.04 -0.00 0.04 -0.01 -0.11 -0.00 0.02 0.02 -0.01 -0.01 -0.02 0.03 -0.05 -0.01 0.00 -0.00 -0.03 -0.04 -0.00 -0.02 0.03 -0.00 -0.02 -0.00 -0.03 -0.03 0.02 0.11 0.10 -0.06 -0.02 0.00 0.01 -0.00 0.03 -0.01 0.00 0.03 -0.01 0.00 0.06 -0.02 0.00 0.08 -0.02 0.00 0.04 -0.01 0.00 -0.00 0.01 0.01 0.00 0.02 0.01 0.00 0.02 -0.02 -0.03 0.02 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.02 -0.00 -0.04 0.01 -0.02 -0.01 0.01 0.02 -0.03 -0.00 -0.00 0.01 -0.00 0.02 0.00 -0.01 0.09 0.02 0.36 0.46 0.49 -0.19 -0.13 -0.07 -0.47 -0.00 0.03 -0.01 0.01 0.02 -0.01 -0.04 -0.07 -0.10 0.00 0.07 -0.02 0.00 0.10 -0.03 0.01 0.00 0.03 0.00 0.00 0.03 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.04 -0.00 -0.06 0.01 -0.05 0.00 0.02 0.04 -0.04 -0.01 -0.01 0.04 -0.01 0.03 0.01 -0.02 -0.04 0.03 -0.00 -0.04 0.07 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.09 0.08 -0.00 -0.02 -0.01 0.01 0.04 0.03 0.00 -0.03 0.03 0.00 -0.07 0.04 0.01 -0.03 0.00 -0.09 0.11 0.01 0.01 -0.02 0.06 -0.04 -0.05 -0.01 -0.03 -0.05 0.06 -0.05 0.01 -0.02 -0.04 0.00 0.02 -0.02 0.02 -0.03 -0.02 0.02 -0.01 -0.03 0.00 -0.04 0.00 0.01 -0.01 0.02 -0.03 0.01 -0.01 -0.00 -0.02 0.03 -0.00 0.01 0.02 -0.00 -0.03 0.03 -0.06 -0.02 0.02 -0.06 -0.03 0.02 -0.00 -0.02 0.01 0.01 -0.01 0.01 0.07 0.01 -0.35 0.56 0.38 0.11 -0.01 -0.42 -0.09 -0.11 0.08 -0.06 -0.06 -0.02 -0.05 -0.06 0.02 0.10 0.12 0.09 -0.08 0.04 -0.05 -0.05 0.03 -0.00 -0.05 0.00 -0.05 0.00 0.01 0.04 -0.01 -0.01 -0.03 0.05 -0.01 0.02 0.04 -0.00 -0.04 0.04 -0.08 -0.03 0.02 -0.08 -0.03 0.02 0.00 -0.01 -0.00 0.02 0.01 0.01 0.16 0.18 0.01 -0.00 -0.03 -0.05 -0.03 -0.02 0.20 -0.05 -0.08 -0.03 -0.10 0.20 -0.03 -0.07 -0.06 -0.00 0.12 0.07 0.01 0.02 0.03 0.03 0.04 0.08 -0.01 -0.03 0.03 0.02 -0.06 0.11 0.04 -0.04 -0.05 0.02 0.00 0.03 0.01 0.04 -0.06 -0.03 -0.06 0.02 -0.02 -0.03 -0.06 -0.03 -0.07 -0.10 -0.11 0.09 0.00 -0.15 0.05 -0.14 -0.04 0.05 -0.09 -0.04 0.04 0.10 -0.06 -0.00 -0.06 0.06 -0.00 0.06 0.05 -0.01 -0.05 -0.07 0.07 -0.09 0.03 0.08 0.01 -0.02 0.01 -0.05 0.09 0.02 -0.01 0.06 -0.05 0.03 0.03 -0.13 -0.03 0.06 -0.05 0.07 -0.00 -0.08 -0.10 0.04 0.03 0.04 0.02 0.04 0.05 0.26 0.35 -0.08 -0.04 -0.07 0.10 -0.04 -0.06 0.04 -0.26 0.06 -0.20 -0.04 0.05 0.19 -0.09 -0.03 -0.11 0.15 -0.04 0.12 0.12 -0.03 -0.04 -0.11 0.08 -0.16 0.07 0.12 0.07 -0.05 -0.02 -0.05 0.15 0.01 0.01 0.10 -0.14 0.22 -0.07 -0.01 -0.05 0.03 0.09 -0.03 -0.05 0.10 -0.07 -0.04 -0.02 -0.02 0.03 0.06 0.05 0.04 -0.08 0.11 -0.07 0.02 0.07 -0.05 -0.01 0.04 -0.03 0.06 -0.00 -0.15 0.01 0.06 -0.01 0.05 0.01 -0.03 -0.05 0.04 -0.03 -0.02 0.01 -0.01 -0.09 0.03 0.00 -0.06 -0.03 -0.00 -0.08 0.07 0.12 -0.07 -0.02 0.16 -0.04 0.10 0.08 -0.02 -0.13 -0.06 0.04 -0.10 0.08 -0.01 0.04 -0.01 0.00 -0.07 -0.00 -0.01 -0.09 -0.08 0.04 -0.15 0.04 0.06 0.00 -0.03 0.00 -0.07 0.12 0.02 -0.00 0.08 -0.01 0.02 -0.34 0.13 0.08 -0.06 -0.01 -0.21 -0.14 -0.06 -0.02 -0.03 -0.03 0.04 -0.05 -0.02 0.01 -0.10 -0.18 0.02 -0.00 -0.09 0.08 -0.00 -0.09 -0.06 0.25 -0.06 0.16 0.08 -0.01 -0.17 0.10 0.01 0.07 -0.09 0.02 -0.12 -0.07 -0.00 -0.09 -0.15 0.03 -0.24 0.09 0.09 0.08 -0.07 -0.03 -0.08 0.19 0.02 0.05 0.12 -0.05 0.07 0.01 0.01 0.11 0.30 0.06 0.05 0.17 -0.06 0.00 -0.00 -0.00 -0.27 0.00 0.06 -0.04 -0.09 -0.16 0.01 -0.01 -0.02 0.01 -0.03 0.01 -0.06 0.04 0.01 -0.03 -0.05 0.00 -0.04 0.05 0.02 0.01 -0.02 -0.00 0.02 -0.02 0.00 0.01 0.02 -0.02 0.01 0.01 -0.01 0.01 0.02 -0.01 -0.04 -0.09 0.02 0.05 -0.11 0.06 -0.04 -0.08 0.04 -0.02 -0.01 0.01 0.10 -0.08 0.02 0.01 -0.04 0.01 0.08 -0.06 -0.02 -0.02 -0.02 0.00 -0.03 0.00 0.01 0.00 -0.01 -0.00 -0.01 0.02 0.00 0.00 0.01 -0.00 -0.02 -0.12 0.03 -0.01 -0.04 -0.00 -0.11 -0.03 -0.00 0.01 -0.03 0.00 0.02 -0.02 0.00 -0.29 -0.34 -0.56 0.02 0.03 -0.02 0.02 0.01 -0.01 0.08 -0.17 0.10 -0.07 -0.08 0.03 0.14 -0.08 0.03 -0.02 0.02 -0.01 0.11 -0.04 -0.06 -0.02 -0.03 0.00 -0.05 0.01 0.01 0.02 -0.02 -0.01 -0.01 0.04 0.00 0.02 0.02 -0.01 0.02 0.02 0.11 -0.04 -0.14 0.09 0.06 0.16 0.04 0.01 -0.03 0.17 -0.01 0.01 0.07 0.00 0.00 0.00 0.01 -0.00 0.05 0.01 -0.00 -0.12 0.00 -0.04 0.11 -0.16 0.01 -0.15 0.03 0.06 0.09 0.05 -0.01 -0.13 -0.01 -0.01 -0.13 0.06 -0.03 -0.09 -0.03 -0.07 -0.08 0.02 -0.06 -0.04 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.05 0.03 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.06 -0.04 0.03 0.02 -0.05 -0.04 0.04 -0.00 -0.00 -0.01 -0.01 -0.02 0.01 0.06 -0.13 -0.04 -0.52 -0.51 0.08 -0.07 -0.04 -0.01 -0.13 0.07 -0.01 -0.14 -0.06 0.01 -0.16 -0.02 -0.03 -0.03 0.08 -0.03 -0.07 -0.06 -0.11 -0.06 0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.10 -0.04 0.05 0.01 -0.08 -0.07 0.05 -0.00 0.00 -0.05 -0.01 -0.02 -0.01 0.12 0.03 0.00 -0.02 -0.01 -0.04 -0.07 0.03 0.10 -0.10 0.01 0.01 0.00 -0.22 0.06 0.02 -0.04 0.05 0.29 -0.00 -0.01 -0.01 0.01 -0.05 0.01 -0.07 0.04 -0.04 -0.03 -0.04 0.02 -0.07 0.03 -0.04 0.01 -0.04 0.01 0.01 -0.04 0.00 0.02 0.03 -0.01 0.01 0.03 -0.01 0.02 0.05 -0.01 0.08 0.06 0.01 0.04 0.00 -0.11 0.09 -0.04 -0.08 -0.02 -0.02 0.01 -0.00 -0.02 -0.01 0.06 -0.11 -0.01 0.05 -0.04 0.12 -0.01 -0.03 0.00 -0.02 -0.01 0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.02 -0.10 0.07 0.01 -0.05 0.01 -0.11 -0.01 0.03 0.02 -0.06 0.01 0.01 -0.06 0.01 0.24 0.10 0.65 0.02 0.04 -0.01 0.01 0.04 -0.01 0.02 -0.00 -0.20 0.13 -0.06 -0.10 -0.08 -0.02 -0.02 0.08 -0.16 -0.03 0.04 -0.02 0.25 -0.02 -0.04 -0.01 -0.04 0.00 0.01 0.03 -0.02 -0.00 -0.01 0.03 -0.01 0.02 0.01 -0.01 0.14 -0.05 -0.05 -0.07 -0.08 -0.03 -0.02 -0.04 0.01 -0.05 -0.05 0.00 -0.18 0.02 0.02 -0.03 -0.03 -0.01 0.06 0.04 -0.01 0.02 0.24 -0.02 -0.02 -0.01 -0.01 0.13 0.03 0.08 -0.02 -0.02 -0.00 -0.02 0.19 -0.03 0.03 0.20 -0.02 -0.04 -0.15 0.00 0.01 -0.16 0.02 -0.05 -0.24 0.02 0.01 -0.00 -0.01 0.03 -0.02 -0.01 0.02 -0.03 -0.01 0.06 0.05 -0.02 0.03 -0.02 0.01 0.02 -0.04 0.00 0.03 -0.04 0.02 0.01 0.09 -0.00 0.05 0.06 -0.03 -0.07 0.07 0.01 -0.01 0.01 0.01 -0.07 0.04 0.03 0.11 0.10 0.24 0.28 -0.02 0.05 0.12 0.05 0.10 -0.06 0.30 -0.04 0.06 0.31 -0.03 -0.05 -0.12 -0.06 -0.06 -0.21 0.01 0.05 -0.23 0.01 0.03 -0.02 -0.00 0.03 -0.03 -0.01 0.01 -0.02 0.02 0.02 -0.04 0.01 0.03 -0.03 0.03 0.01 0.16 0.02 0.08 0.04 -0.04 -0.10 0.09 0.02 0.00 -0.06 0.02 -0.09 0.02 0.05 0.20 -0.08 -0.01 0.04 0.07 0.06 -0.01 0.13 -0.02 -0.10 0.01 0.06 0.05 -0.03 0.01 0.00 -0.01 0.04 -0.00 -0.09 -0.00 -0.10 -0.10 -0.03 0.02 -0.03 0.03 0.12 -0.05 0.03 0.08 -0.01 0.00 -0.12 0.00 -0.05 -0.20 -0.02 -0.03 -0.13 0.06 -0.00 -0.21 0.10 -0.01 -0.15 0.01 0.02 0.02 0.02 -0.02 -0.01 0.04 -0.00 0.02 0.02 -0.02 0.09 0.08 -0.04 -0.04 0.02 -0.01 0.01 0.01 0.01 -0.03 0.01 -0.01 0.13 0.07 -0.03 0.14 -0.04 -0.02 0.03 0.01 0.01 0.06 -0.13 -0.02 0.02 -0.12 -0.03 0.10 0.00 0.21 0.27 -0.03 -0.01 0.10 -0.09 -0.03 -0.10 0.04 -0.07 -0.23 -0.05 -0.05 0.08 0.03 0.16 -0.10 0.11 0.00 -0.25 0.20 -0.01 -0.02 0.08 0.01 0.03 0.03 -0.01 -0.05 0.02 -0.01 0.02 0.00 0.04 -0.04 -0.00 -0.00 0.13 0.11 0.00 0.28 -0.11 -0.02 -0.06 0.06 0.08 0.06 -0.18 -0.02 -0.03 -0.15 -0.03 0.02 -0.00 -0.03 0.03 0.02 -0.03 -0.02 -0.04 -0.01 0.01 -0.06 0.19 0.01 0.00 -0.02 0.00 0.00 -0.00 -0.04 0.02 0.02 -0.02 -0.03 0.10 -0.03 0.02 -0.02 -0.03 0.03 0.02 0.00 -0.01 -0.03 -0.07 0.15 0.03 0.06 -0.18 0.10 -0.05 -0.14 -0.08 0.08 0.15 -0.16 0.03 -0.00 -0.13 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.04 0.01 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.03 0.02 0.01 0.03 -0.06 -0.04 0.02 -0.05 0.01 0.00 0.02 -0.02 0.02 0.05 -0.04 0.07 0.04 0.01 -0.01 0.02 0.00 0.03 0.04 -0.14 0.33 0.03 0.15 -0.38 0.20 0.00 0.02 -0.00 -0.19 -0.33 -0.11 0.19 0.29 -0.25 0.00 -0.01 0.00 -0.01 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.02 0.06 0.05 -0.00 0.03 -0.13 -0.07 0.03 -0.11 0.02 -0.03 0.04 -0.01 0.01 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.04 -0.09 -0.18 0.03 0.09 0.19 0.01 0.00 0.00 0.03 0.09 0.19 -0.03 -0.09 -0.19 -0.00 -0.01 -0.02 -0.01 0.01 -0.03 0.02 -0.00 0.03 0.01 0.00 0.04 -0.01 -0.00 -0.04 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.03 -0.01 -0.01 -0.02 0.00 -0.01 0.00 -0.01 -0.00 -0.03 0.01 -0.00 0.02 -0.00 -0.07 -0.18 -0.38 0.07 0.18 0.40 0.08 0.21 0.43 -0.07 -0.17 -0.38 -0.01 -0.01 -0.03 -0.02 0.00 -0.08 0.03 -0.01 0.06 0.02 0.00 0.07 -0.02 -0.00 -0.09 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.01 0.02 -0.00 0.00 0.02 -0.07 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.04 0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.00 0.00 0.01 0.02 0.03 -0.03 -0.02 -0.01 -0.02 0.01 -0.02 0.05 -0.02 0.02 0.04 -0.01 -0.00 0.05 0.00 0.00 -0.01 -0.01 -0.01 -0.03 0.01 0.02 0.03 -0.01 -0.01 -0.01 0.00 0.02 0.03 -0.00 -0.01 -0.03 -0.01 -0.00 -0.01 0.06 -0.02 0.21 -0.06 -0.00 -0.19 -0.05 0.00 -0.19 0.06 -0.01 0.20 0.00 -0.00 -0.02 0.01 -0.02 -0.03 -0.01 -0.01 -0.01 0.01 -0.02 -0.02 0.05 0.06 -0.05 -0.06 -0.04 -0.03 0.01 -0.01 0.02 0.06 -0.03 0.08 -0.06 0.06 0.05 -0.01 -0.01 -0.06 0.02 0.04 0.07 0.00 0.04 0.08 -0.01 -0.03 -0.05 -0.01 -0.01 -0.01 0.12 -0.04 0.42 -0.13 0.01 -0.39 -0.11 0.01 -0.41 0.14 -0.01 0.44 0.00 0.00 -0.04 0.04 -0.00 -0.03 0.02 0.02 -0.03 -0.02 -0.04 -0.00 -0.01 -0.04 0.14 0.02 0.00 -0.02 0.00 0.01 -0.00 -0.03 0.01 0.02 -0.02 -0.03 0.08 -0.03 0.02 -0.02 -0.01 0.03 0.03 0.01 -0.01 -0.02 -0.06 -0.18 0.10 0.04 0.14 0.01 -0.03 0.19 -0.13 0.02 -0.16 -0.06 0.01 0.01 -0.11 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.00 0.01 0.02 0.03 0.01 0.03 0.01 0.01 0.02 -0.00 -0.01 -0.02 0.00 0.00 -0.00 0.03 0.02 0.05 0.00 0.02 -0.07 -0.03 0.02 -0.06 0.02 -0.01 0.04 -0.01 0.00 0.03 -0.01 0.04 0.09 0.05 0.03 0.02 -0.02 0.02 0.02 -0.13 -0.39 0.18 0.12 0.35 0.01 0.00 0.03 0.00 -0.11 0.36 -0.24 0.09 -0.35 -0.06 -0.01 -0.03 -0.04 -0.00 0.01 0.04 0.01 0.02 0.04 -0.01 -0.01 -0.04 0.00 0.00 -0.01 0.04 0.05 0.10 -0.01 0.01 -0.16 -0.07 0.02 -0.15 0.03 -0.03 0.08 -0.01 -0.00 0.05 0.19 0.09 -0.11 -0.03 -0.17 -0.06 -0.03 -0.14 0.15 0.00 0.06 -0.01 -0.05 0.15 0.03 0.03 0.12 -0.05 -0.01 0.13 -0.01 -0.03 -0.01 -0.07 -0.05 0.08 0.02 -0.07 0.08 0.10 0.05 0.10 0.02 0.01 -0.07 -0.04 -0.07 -0.10 -0.04 0.01 0.01 0.01 -0.08 0.04 -0.01 -0.01 0.12 0.00 -0.06 -0.01 0.08 0.01 -0.08 0.01 -0.05 -0.09 0.03 -0.02 0.01 0.01 0.08 -0.05 -0.01 -0.01 -0.04 -0.03 0.09 -0.02 0.04 0.02 -0.02 0.01 -0.01 -0.04 -0.01 0.04 -0.02 -0.02 0.01 -0.03 0.00 0.04 -0.05 -0.02 -0.06 -0.03 0.21 0.02 -0.00 0.09 -0.21 0.16 0.18 0.06 -0.15 -0.05 -0.12 -0.22 -0.04 -0.24 0.01 -0.44 0.05 -0.03 0.05 -0.14 0.02 0.03 0.04 -0.20 -0.03 -0.08 -0.11 -0.03 0.09 -0.07 -0.06 -0.06 0.01 -0.11 0.12 0.02 0.06 0.02 -0.06 0.00 0.01 -0.05 -0.03 0.02 -0.02 -0.03 0.01 -0.00 0.02 0.04 -0.05 -0.02 -0.05 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.04 -0.00 0.01 0.01 -0.00 0.14 0.04 0.03 0.02 -0.05 -0.00 0.02 -0.05 0.02 0.00 -0.00 0.00 0.03 -0.06 -0.04 -0.01 0.00 -0.02 -0.00 0.02 0.00 0.01 0.02 0.02 -0.01 0.02 -0.00 0.01 0.02 0.01 -0.02 -0.06 0.01 0.04 0.07 0.22 -0.05 -0.03 -0.00 -0.02 -0.01 -0.02 0.01 0.00 -0.04 -0.04 -0.03 -0.08 -0.03 -0.01 -0.12 -0.01 0.10 0.12 0.01 0.01 0.01 0.02 0.02 -0.00 -0.01 0.01 0.02 0.01 0.01 0.01 -0.02 0.02 -0.02 0.03 -0.07 -0.06 -0.00 -0.03 -0.03 0.03 -0.07 -0.06 -0.02 0.09 -0.01 0.01 0.09 -0.00 -0.24 -0.13 -0.52 0.00 0.09 -0.02 0.03 0.09 -0.02 -0.10 -0.13 -0.24 -0.11 -0.10 -0.23 -0.03 -0.13 -0.28 -0.06 -0.11 -0.33 0.00 0.13 0.18 0.02 0.04 0.04 0.03 0.02 0.03 -0.01 0.01 0.06 0.02 -0.02 0.05 -0.03 0.01 -0.02 0.02 -0.06 0.01 0.00 0.01 0.02 -0.01 0.04 -0.04 0.05 0.11 -0.04 0.00 -0.04 0.00 0.04 -0.03 0.01 -0.03 0.00 0.00 -0.03 0.08 -0.02 -0.00 -0.01 0.01 0.01 0.03 0.02 0.01 -0.04 -0.00 -0.02 0.01 0.00 -0.02 0.01 -0.02 -0.02 -0.04 0.01 -0.02 -0.04 -0.01 0.02 0.04 -0.02 0.03 0.01 0.06 -0.02 0.00 0.00 0.01 0.02 -0.01 0.03 -0.00 0.28 -0.03 -0.01 -0.02 -0.01 0.01 -0.03 -0.03 0.04 0.03 -0.01 -0.02 -0.01 -0.04 -0.05 0.00 0.01 -0.01 -0.13 -0.03 -0.01 -0.11 0.09 -0.05 0.15 -0.00 0.08 0.06 0.05 -0.00 0.01 0.04 0.02 0.03 -0.01 -0.05 0.01 -0.00 -0.05 0.01 -0.03 -0.09 -0.11 -0.04 -0.13 0.02 -0.04 -0.12 0.02 -0.04 0.00 -0.07 -0.03 -0.01 -0.08 -0.03 -0.04 -0.09 -0.01 -0.04 -0.09 -0.03 0.05 0.04 -0.10 -0.09 -0.32 -0.14 -0.03 -0.32 -0.08 0.01 -0.43 -0.13 0.06 -0.41 0.11 -0.05 0.20 0.06 -0.11 0.01 0.01 -0.00 0.01 -0.02 0.07 -0.06 0.06 0.04 0.06 -0.00 -0.08 0.01 0.06 -0.08 0.02 -0.07 0.05 0.01 -0.04 0.17 -0.05 -0.02 -0.00 0.02 -0.04 0.11 0.07 0.02 -0.10 -0.00 0.01 -0.02 0.02 -0.01 -0.03 -0.03 0.03 -0.05 0.01 -0.00 -0.06 -0.03 0.06 0.15 -0.05 0.06 -0.01 0.04 -0.03 -0.01 0.01 0.02 0.05 -0.02 -0.07 -0.00 -0.15 -0.05 -0.01 -0.00 -0.01 0.03 -0.04 -0.07 0.06 0.01 -0.02 -0.02 0.00 -0.03 -0.02 -0.00 0.04 -0.01 0.07 0.02 -0.00 0.07 -0.01 0.00 -0.11 -0.06 0.20 0.15 0.05 0.03 0.06 0.01 0.12 0.12 0.04 -0.24 0.06 0.01 -0.26 0.04 -0.00 -0.15 -0.09 -0.03 -0.31 0.05 -0.05 -0.32 0.05 -0.07 0.03 -0.06 -0.04 0.03 -0.06 -0.02 -0.03 -0.05 0.01 -0.04 -0.06 -0.07 0.06 0.02 0.04 -0.05 0.18 0.02 -0.02 0.20 0.11 -0.03 0.25 0.08 0.02 0.27 -0.01 0.01 -0.13 -0.11 0.06 0.03 -0.06 0.00 -0.00 0.03 -0.02 0.03 -0.07 0.09 0.08 -0.04 0.04 0.01 -0.04 0.04 -0.02 0.14 -0.05 -0.04 0.06 0.19 0.02 0.12 -0.03 -0.03 0.11 -0.15 -0.12 -0.04 0.05 0.02 -0.04 -0.01 0.04 -0.01 0.01 0.11 -0.04 -0.06 -0.06 -0.03 -0.05 0.01 -0.07 0.16 -0.09 -0.03 0.03 0.01 0.02 0.01 -0.01 -0.00 -0.02 0.01 -0.05 0.08 -0.01 0.03 0.00 -0.01 0.01 -0.03 0.00 0.04 -0.03 0.02 0.06 0.01 -0.01 -0.03 -0.04 0.00 0.06 -0.02 -0.01 -0.01 -0.06 0.02 0.06 -0.10 -0.04 0.12 -0.19 -0.24 -0.00 -0.09 -0.09 0.12 -0.17 -0.14 -0.15 -0.25 0.16 -0.02 -0.25 0.17 -0.05 0.04 -0.02 -0.10 -0.35 -0.01 0.07 -0.35 0.02 0.03 -0.03 -0.02 0.02 -0.04 -0.01 -0.01 -0.00 -0.03 -0.01 -0.01 -0.03 0.04 -0.03 0.02 0.07 -0.07 0.02 0.07 -0.09 0.02 0.02 0.01 0.05 -0.00 0.00 0.07 0.06 -0.10 -0.05 -0.02 -0.01 -0.02 -0.02 -0.04 -0.01 -0.00 0.02 -0.05 -0.03 0.01 0.00 -0.03 0.03 0.04 0.22 0.08 0.18 0.03 0.00 -0.02 0.02 -0.00 0.01 -0.00 0.04 0.01 0.02 -0.03 -0.01 -0.02 -0.01 -0.03 0.00 -0.00 0.00 0.01 0.00 0.03 -0.00 0.00 -0.01 0.00 0.01 0.01 -0.02 -0.00 -0.00 0.00 -0.12 -0.12 -0.05 -0.08 -0.01 -0.02 -0.00 -0.05 -0.00 0.02 0.01 -0.01 0.01 0.09 -0.00 0.08 0.06 -0.07 0.00 -0.12 0.02 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.02 0.00 0.02 -0.07 -0.01 0.01 -0.06 -0.01 -0.02 -0.00 0.02 -0.02 0.00 0.01 0.00 0.01 0.02 -0.25 -0.25 -0.55 0.01 0.01 -0.01 0.03 0.01 -0.01 -0.02 0.08 0.23 -0.05 0.10 0.16 0.11 0.12 0.34 0.04 0.16 0.29 -0.05 0.04 -0.09 0.02 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.02 0.00 -0.01 0.02 -0.01 0.00 -0.02 -0.05 -0.06 0.01 -0.03 0.15 -0.02 0.01 -0.10 0.10 -0.13 -0.03 0.05 0.06 0.02 -0.03 0.15 0.03 -0.04 -0.07 -0.01 -0.10 0.10 -0.04 0.03 -0.03 0.12 0.06 -0.08 -0.04 -0.00 -0.00 -0.08 -0.07 -0.00 0.05 -0.04 -0.02 -0.05 -0.06 0.03 0.08 -0.02 0.00 -0.02 0.08 0.10 -0.00 -0.11 0.06 -0.03 0.00 0.06 -0.03 -0.03 -0.09 0.03 0.07 -0.14 -0.01 0.05 0.08 -0.04 0.02 -0.05 0.03 0.11 -0.07 -0.00 -0.10 -0.02 0.04 0.08 0.00 -0.01 -0.08 0.04 0.01 0.11 0.06 -0.04 -0.06 0.14 0.04 0.04 0.04 0.03 0.14 -0.12 -0.05 0.15 -0.10 -0.03 -0.01 -0.24 0.07 -0.01 -0.25 0.03 -0.25 0.08 -0.27 -0.15 -0.21 0.09 -0.14 -0.22 0.09 0.06 -0.02 0.06 0.06 -0.09 0.06 -0.02 0.12 0.01 -0.02 0.06 0.02 0.08 -0.10 0.03 -0.11 0.10 0.03 -0.06 0.07 0.00 0.03 -0.02 -0.06 0.10 -0.05 -0.10 -0.11 0.10 0.05 -0.02 -0.08 -0.02 0.05 -0.01 0.13 -0.05 -0.02 -0.14 0.02 0.19 0.06 0.06 0.03 -0.02 -0.05 0.12 0.01 -0.05 -0.04 0.06 -0.00 -0.11 0.04 -0.04 -0.00 0.11 -0.03 0.03 0.04 0.00 -0.05 -0.12 0.04 0.07 -0.00 0.03 0.06 -0.02 0.05 -0.08 -0.03 0.02 -0.08 -0.04 0.01 -0.11 0.00 -0.10 0.06 -0.01 -0.01 0.06 -0.02 -0.02 -0.08 0.04 -0.11 0.11 -0.01 0.04 0.09 -0.05 0.03 -0.05 0.02 0.10 -0.06 0.01 0.02 0.02 -0.04 -0.13 -0.07 0.00 0.10 0.01 0.01 -0.06 -0.05 0.05 0.08 -0.11 -0.08 -0.04 0.08 0.07 -0.00 0.04 0.03 0.01 0.01 0.02 0.04 0.37 -0.07 0.08 0.36 -0.06 -0.19 0.10 -0.18 0.04 0.15 -0.10 0.06 0.15 -0.11 0.04 -0.03 0.03 0.05 -0.09 0.05 -0.03 0.11 -0.04 -0.01 0.05 -0.01 0.07 -0.10 0.05 0.05 -0.17 0.03 -0.02 -0.12 0.07 0.06 0.04 0.14 -0.03 0.11 0.19 0.10 -0.11 -0.06 0.01 0.09 -0.03 0.00 0.00 -0.03 0.02 0.00 0.09 0.09 0.05 0.04 -0.01 0.00 0.01 0.04 -0.02 0.01 -0.02 -0.04 -0.04 -0.06 -0.06 0.04 -0.05 -0.02 -0.03 0.05 -0.08 -0.04 0.01 0.08 0.04 -0.01 0.06 0.06 -0.07 0.05 -0.01 0.00 -0.04 0.00 -0.06 -0.06 -0.08 0.04 -0.05 -0.02 0.05 -0.03 -0.01 0.02 -0.04 0.01 0.00 0.05 -0.03 -0.11 -0.07 0.01 -0.01 -0.07 0.04 -0.04 0.03 0.00 -0.05 0.02 -0.01 -0.26 0.06 0.05 -0.06 -0.26 -0.02 0.07 0.27 0.02 0.26 -0.06 -0.06 0.09 0.07 -0.06 0.04 -0.05 -0.02 0.07 -0.07 -0.05 0.06 -0.09 -0.06 -0.01 0.21 0.03 0.00 0.20 -0.00 0.09 -0.01 0.09 -0.08 0.03 -0.08 -0.08 0.05 -0.09 0.00 0.02 -0.00 -0.02 0.06 -0.02 0.02 -0.07 0.05 -0.01 -0.02 0.03 -0.01 0.06 -0.04 -0.23 -0.11 0.10 -0.18 -0.19 0.10 0.21 0.20 0.08 0.28 0.08 0.04 -0.17 -0.11 0.04 0.01 -0.02 0.06 -0.02 0.02 -0.09 0.02 0.01 0.04 -0.03 -0.03 0.00 -0.04 -0.03 -0.00 -0.01 -0.04 0.01 0.02 0.02 0.00 0.03 0.01 -0.01 0.01 0.02 -0.07 -0.02 0.03 0.01 -0.01 -0.03 0.06 -0.01 -0.02 -0.03 0.02 -0.02 0.00 -0.01 0.01 -0.01 0.02 0.02 0.03 -0.03 0.00 0.01 -0.06 -0.11 0.05 -0.30 -0.01 0.06 0.07 -0.26 0.10 -0.02 -0.01 0.01 -0.07 0.30 -0.12 0.34 0.03 -0.05 0.06 0.10 -0.07 -0.05 0.03 0.02 -0.00 -0.06 0.00 0.01 0.08 -0.01 0.07 -0.02 -0.03 0.02 0.01 0.00 -0.01 -0.01 -0.02 -0.05 0.05 0.02 -0.04 0.03 0.00 -0.02 -0.03 -0.03 -0.01 -0.04 -0.01 0.05 0.00 0.10 0.02 0.02 0.02 0.03 0.02 0.02 -0.25 -0.12 0.11 -0.10 -0.23 0.11 0.10 0.27 -0.13 0.29 0.13 -0.10 -0.18 -0.19 0.09 -0.05 0.01 0.02 -0.02 -0.05 0.01 0.03 0.07 -0.02 0.06 0.00 -0.03 -0.05 -0.04 0.03 -0.01 -0.11 0.09 -0.02 0.02 -0.03 -0.03 -0.02 -0.10 -0.15 -0.08 0.03 -0.00 -0.01 -0.03 -0.02 0.03 0.00 0.08 0.06 0.09 0.13 0.02 -0.07 0.10 0.05 -0.02 -0.07 0.11 0.07 -0.01 -0.11 -0.04 -0.08 -0.10 -0.18 0.17 -0.06 -0.02 -0.10 0.06 -0.00 0.14 0.08 0.17 -0.12 0.02 0.05 -0.03 0.07 -0.02 0.09 0.04 -0.03 -0.03 0.05 -0.01 -0.05 0.01 0.03 0.03 -0.04 0.01 -0.09 -0.04 0.02 0.03 -0.06 0.03 -0.08 0.08 0.05 0.01 -0.13 0.01 0.03 0.19 -0.02 0.14 -0.07 -0.06 0.06 -0.00 0.00 -0.05 0.00 -0.05 -0.19 0.17 0.09 -0.12 0.12 0.05 -0.10 -0.20 -0.15 0.01 -0.17 -0.08 -0.17 -0.05 -0.21 0.07 0.06 0.11 0.19 0.03 0.15 0.10 0.04 -0.03 0.06 0.03 -0.03 -0.07 -0.02 0.01 -0.10 -0.03 0.01 0.08 0.01 -0.00 -0.08 0.01 0.02 -0.01 -0.13 -0.01 0.03 0.19 -0.05 0.13 -0.00 -0.09 -0.12 -0.12 0.04 -0.03 -0.09 0.07 -0.02 -0.01 -0.03 -0.01 0.02 -0.04 -0.09 -0.07 -0.10 0.01 -0.03 0.00 -0.03 0.02 0.01 0.04 0.06 -0.01 0.07 0.04 0.07 0.07 0.04 -0.01 -0.05 0.09 0.06 0.00 -0.10 0.02 0.27 -0.01 0.14 -0.23 0.00 0.21 0.27 -0.01 -0.17 -0.22 0.04 -0.10 -0.07 -0.04 -0.07 -0.04 0.05 -0.01 0.04 0.05 -0.02 -0.02 -0.00 0.01 0.02 -0.04 -0.00 0.02 0.02 -0.02 -0.03 -0.03 0.01 0.04 -0.04 0.02 -0.03 0.01 0.03 0.05 -0.02 0.01 -0.02 0.05 -0.01 0.07 -0.01 -0.04 -0.01 0.04 0.03 -0.03 0.02 0.04 -0.08 0.08 0.07 -0.12 0.13 0.09 0.15 -0.03 0.21 -0.21 -0.04 0.24 -0.17 -0.06 -0.20 0.28 0.01 -0.17 -0.09 0.08 -0.18 0.05 0.02 -0.01 0.05 -0.01 -0.00 -0.06 0.04 -0.02 -0.05 -0.00 -0.01 0.05 -0.03 0.02 -0.05 0.05 -0.02 0.00 -0.00 -0.04 -0.01 0.04 -0.09 0.05 -0.04 -0.11 -0.08 -0.00 0.01 -0.02 0.08 -0.20 0.03 -0.07 0.25 -0.02 -0.05 -0.14 -0.10 -0.05 -0.02 -0.02 0.07 0.03 0.01 -0.06 -0.10 0.03 0.04 -0.01 0.07 0.04 0.00 -0.00 -0.03 0.20 -0.01 0.02 0.01 -0.09 0.07 -0.13 0.06 -0.03 -0.01 0.01 -0.01 0.08 0.05 0.01 -0.06 0.01 0.04 0.04 -0.07 0.00 -0.01 0.09 -0.09 0.03 -0.07 -0.09 0.07 0.04 0.01 0.00 -0.01 0.01 0.00 -0.04 -0.05 0.03 0.07 0.06 -0.04 -0.08 0.09 -0.01 -0.00 0.03 0.02 0.01 -0.03 0.01 0.00 0.06 -0.02 0.03 -0.02 -0.03 0.02 -0.01 0.02 -0.00 -0.05 0.05 0.01 -0.06 0.02 -0.09 0.09 0.10 0.02 -0.10 0.03 -0.02 -0.10 0.08 0.44 0.13 0.51 0.11 -0.02 -0.00 0.09 -0.02 0.01 -0.11 -0.07 -0.03 -0.10 0.01 -0.03 0.10 -0.11 -0.05 0.09 -0.04 -0.06 -0.10 0.05 -0.06 -0.01 0.03 -0.00 0.02 -0.03 -0.02 -0.02 0.07 -0.05 0.02 -0.01 -0.07 -0.04 -0.04 0.02 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.01 -0.00 0.03 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.05 -0.01 0.13 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.03 0.00 -0.10 -0.02 0.01 -0.10 0.04 -0.01 0.16 0.05 -0.01 0.16 -0.04 0.01 -0.11 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.02 0.02 -0.02 -0.02 0.01 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.01 0.04 -0.01 0.00 0.05 -0.01 -0.01 -0.01 -0.03 -0.01 -0.02 -0.03 0.00 -0.01 -0.02 -0.00 -0.01 -0.02 -0.01 -0.02 -0.05 -0.15 0.02 -0.48 -0.15 0.03 -0.52 -0.01 -0.01 -0.03 -0.01 -0.01 -0.05 -0.17 0.04 -0.54 -0.02 -0.01 -0.06 -0.01 -0.03 0.00 0.02 0.05 0.02 -0.01 -0.00 0.00 0.02 -0.02 0.04 -0.01 -0.01 0.00 -0.01 0.04 -0.09 -0.01 0.02 -0.00 0.01 0.02 0.02 0.01 -0.01 -0.02 0.00 -0.02 0.04 -0.01 -0.02 0.02 0.02 -0.02 0.01 -0.01 0.02 0.00 0.02 0.01 0.00 -0.00 -0.03 0.01 -0.02 -0.04 -0.10 0.01 0.04 0.07 0.01 0.03 0.08 -0.01 0.01 0.01 -0.02 -0.05 -0.14 -0.02 -0.06 -0.13 0.02 0.04 0.09 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.02 0.06 0.09 -0.14 -0.03 -0.04 0.06 0.08 -0.01 -0.00 0.01 0.04 0.01 0.01 -0.04 -0.06 -0.05 -0.02 0.09 -0.02 0.04 0.08 -0.02 0.09 0.22 0.46 0.09 0.19 0.42 0.00 0.05 0.07 0.01 0.03 0.05 0.09 0.23 0.51 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 0.05 0.05 0.11 0.02 0.07 -0.01 -0.05 -0.12 -0.05 0.01 -0.00 -0.01 -0.04 0.03 -0.09 0.03 0.03 0.02 0.03 -0.09 0.21 0.02 -0.05 0.01 -0.03 -0.05 -0.04 -0.02 0.02 0.05 -0.00 0.07 -0.11 0.02 0.05 -0.05 -0.04 0.06 -0.02 0.03 -0.05 -0.01 -0.05 -0.03 0.01 -0.00 0.08 -0.02 0.01 -0.05 -0.05 -0.01 -0.02 0.05 0.02 0.02 0.04 0.02 -0.02 0.01 -0.02 -0.06 -0.07 0.00 -0.02 -0.08 -0.01 0.04 0.03 -0.01 -0.02 -0.01 0.02 0.01 -0.01 -0.01 -0.02 0.02 0.03 0.01 0.01 -0.02 0.02 -0.00 -0.01 0.03 -0.16 -0.21 0.33 0.07 0.10 -0.15 -0.20 0.02 0.00 -0.04 -0.10 -0.02 -0.03 0.06 0.05 0.06 0.04 -0.24 0.05 -0.09 -0.23 0.07 0.03 0.12 0.32 0.03 0.14 0.28 0.06 0.01 0.11 0.04 0.04 0.08 0.05 0.19 0.33 -0.03 0.02 -0.06 -0.01 0.02 -0.07 -0.00 -0.03 -0.03 0.01 -0.03 -0.04 -0.03 0.03 -0.07 0.03 -0.03 0.03 -0.09 0.01 0.02 0.01 -0.04 -0.07 0.12 0.08 0.02 -0.08 0.05 0.01 0.01 0.02 -0.03 0.10 0.04 0.05 -0.04 0.06 -0.01 0.36 -0.04 -0.04 -0.01 0.07 0.04 -0.13 0.01 -0.02 -0.08 -0.07 0.05 -0.06 -0.09 -0.02 -0.07 0.05 0.03 -0.06 0.01 -0.08 0.05 -0.13 0.03 0.02 -0.03 -0.01 -0.01 -0.03 0.03 0.02 0.01 0.01 0.01 -0.02 0.00 -0.01 -0.04 0.01 0.02 0.01 -0.02 -0.02 0.03 0.00 -0.03 -0.04 -0.01 -0.01 0.00 -0.01 -0.02 -0.05 -0.02 -0.01 0.02 -0.02 -0.02 0.03 -0.01 0.01 0.00 -0.08 -0.13 0.18 0.06 -0.01 0.03 -0.03 -0.07 0.07 0.02 -0.03 0.08 -0.05 0.07 -0.01 0.03 -0.14 0.40 -0.12 -0.11 0.43 -0.14 -0.02 -0.02 0.03 -0.02 0.01 -0.00 0.04 -0.05 -0.01 0.02 -0.02 -0.03 -0.02 0.03 -0.01 0.02 -0.05 0.15 0.01 0.01 0.18 0.08 -0.08 0.16 0.05 0.00 0.18 0.09 0.03 0.23 -0.02 0.20 -0.08 -0.00 0.04 0.06 -0.07 -0.02 0.05 -0.03 -0.03 -0.02 -0.07 -0.11 -0.02 -0.04 -0.12 0.14 -0.05 -0.05 0.05 -0.04 0.15 -0.04 0.05 -0.21 -0.04 -0.03 0.03 0.02 0.26 0.06 -0.11 0.04 -0.06 0.05 0.02 -0.08 -0.02 0.04 0.07 0.00 0.03 0.06 -0.04 0.01 -0.13 0.03 -0.01 0.04 0.04 0.01 0.04 -0.05 0.01 -0.00 -0.03 -0.02 0.03 0.01 -0.01 0.06 -0.02 0.01 -0.02 0.02 0.01 -0.03 -0.02 0.02 0.04 -0.01 -0.04 -0.01 0.01 0.03 0.06 -0.00 -0.04 -0.01 0.02 0.02 -0.04 -0.01 -0.06 0.22 -0.02 -0.02 0.17 0.01 0.15 -0.09 -0.12 0.10 -0.22 0.05 0.05 -0.23 0.03 -0.32 -0.27 -0.26 0.04 0.17 -0.02 0.02 0.15 -0.06 0.03 0.07 0.01 0.07 0.01 -0.00 -0.06 0.13 0.11 0.02 0.03 0.12 0.00 -0.00 0.14 0.02 -0.00 -0.01 -0.02 -0.03 -0.02 -0.03 0.09 0.00 -0.05 0.06 0.00 0.01 -0.05 -0.02 0.06 -0.09 0.11 0.03 0.02 -0.04 0.04 -0.03 -0.01 -0.02 -0.05 -0.03 0.05 0.06 -0.05 0.04 0.10 -0.07 -0.06 -0.08 0.06 -0.06 0.20 -0.05 -0.15 0.06 0.00 0.03 -0.08 -0.03 -0.16 0.05 0.03 0.05 -0.04 0.08 0.02 -0.08 -0.06 0.05 0.10 0.03 0.02 0.07 -0.09 0.03 -0.18 0.05 0.01 0.01 0.03 -0.01 -0.04 0.00 -0.01 -0.01 -0.01 -0.03 0.04 -0.00 0.01 -0.04 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.02 0.04 0.06 -0.00 -0.07 -0.02 0.03 0.05 0.09 -0.01 -0.08 -0.02 0.03 0.04 -0.06 -0.01 0.01 0.06 -0.02 0.07 -0.04 -0.05 0.17 -0.16 -0.10 0.12 -0.38 0.12 0.07 -0.40 0.06 0.20 0.23 0.17 0.03 0.12 0.01 -0.03 0.10 -0.07 -0.00 -0.02 0.05 -0.03 0.02 0.05 0.07 0.00 0.11 0.01 0.06 0.10 0.04 0.10 0.11 0.04 0.00 -0.03 -0.04 -0.04 -0.02 -0.06 0.14 -0.02 -0.10 0.10 -0.02 0.01 -0.06 -0.07 -0.03 -0.01 0.03 0.02 -0.01 -0.00 -0.04 0.00 -0.00 0.00 0.02 -0.02 -0.02 0.02 -0.00 -0.01 0.01 -0.03 0.02 0.01 0.00 0.02 0.03 -0.01 -0.08 0.05 0.02 0.02 -0.02 -0.01 0.11 -0.04 -0.03 -0.01 -0.02 -0.02 -0.01 -0.00 0.03 -0.00 0.01 -0.03 -0.00 0.02 0.02 -0.02 -0.02 0.00 0.01 0.01 0.03 -0.01 -0.02 -0.01 0.00 -0.01 -0.02 0.05 -0.02 0.16 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.02 -0.03 -0.01 -0.07 -0.00 0.01 -0.07 -0.02 -0.02 -0.02 0.01 0.01 -0.02 -0.04 0.02 -0.09 0.02 -0.07 -0.02 0.00 -0.05 -0.01 -0.02 0.00 0.01 -0.03 -0.07 0.00 -0.03 -0.07 0.03 0.06 0.05 0.07 0.02 0.01 -0.01 0.02 0.01 0.01 -0.00 0.00 0.02 0.00 0.02 0.03 0.03 0.03 0.09 0.03 0.04 0.09 0.02 0.06 0.10 0.03 -0.00 0.14 0.04 0.01 0.12 0.15 -0.06 0.47 0.16 -0.05 0.46 0.16 -0.01 0.54 -0.04 -0.03 0.03 -0.00 -0.01 0.00 -0.03 0.01 -0.01 0.02 0.01 0.02 -0.03 0.04 0.01 -0.02 0.00 -0.07 0.03 0.02 -0.02 0.00 -0.01 0.00 0.03 0.04 0.02 0.01 -0.00 -0.01 0.10 -0.06 -0.02 -0.02 -0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.00 0.04 0.06 0.15 -0.02 -0.05 -0.06 -0.00 -0.03 -0.06 -0.02 -0.00 -0.07 -0.00 -0.02 -0.00 0.01 0.01 -0.00 -0.03 -0.03 -0.10 -0.00 -0.01 0.02 0.01 -0.00 0.03 -0.00 -0.01 0.01 0.01 0.00 0.01 0.01 0.00 0.04 0.02 -0.06 -0.01 -0.00 -0.04 -0.00 -0.04 0.03 0.03 -0.02 0.08 -0.01 -0.00 0.08 -0.02 0.09 0.09 0.11 -0.03 0.05 -0.02 -0.02 0.05 -0.02 0.01 0.03 0.10 0.01 0.03 0.07 0.10 0.17 0.42 0.08 0.16 0.37 0.08 0.24 0.47 -0.02 0.00 -0.04 -0.02 0.00 -0.05 -0.05 -0.01 -0.20 -0.06 0.01 -0.21 -0.07 0.02 -0.24 -0.07 -0.02 0.08 0.01 -0.01 -0.02 -0.09 0.00 -0.01 0.03 0.02 0.02 -0.09 0.08 0.02 -0.00 0.06 -0.02 0.04 0.02 0.01 -0.01 0.05 -0.01 -0.04 0.09 0.03 0.03 -0.04 -0.02 0.28 -0.10 -0.08 -0.02 -0.03 0.02 -0.01 -0.03 -0.01 -0.02 0.01 0.01 -0.01 0.01 -0.03 0.02 -0.04 0.01 -0.01 -0.08 -0.13 -0.01 -0.02 0.09 0.03 0.03 0.04 -0.02 0.01 -0.08 -0.00 -0.05 0.03 0.03 0.02 -0.02 -0.01 0.06 0.08 0.00 -0.01 0.03 0.00 -0.00 0.03 0.00 -0.00 0.01 -0.00 0.00 0.01 0.01 -0.00 0.04 0.05 -0.12 -0.05 -0.00 -0.06 -0.01 -0.02 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.03 -0.00 0.11 0.07 0.11 -0.04 0.13 -0.03 -0.03 0.11 -0.04 -0.04 -0.07 -0.06 -0.01 0.00 -0.02 0.00 -0.24 -0.35 -0.01 -0.16 -0.31 -0.09 -0.16 -0.43 -0.02 -0.02 -0.05 -0.01 -0.00 -0.02 -0.06 0.01 -0.21 -0.06 0.02 -0.19 -0.06 0.02 -0.23 -0.03 -0.04 -0.00 -0.05 -0.00 -0.01 -0.01 0.03 0.01 -0.07 -0.19 -0.07 -0.07 0.07 0.04 -0.01 0.07 -0.04 -0.05 -0.01 -0.04 -0.07 -0.18 0.04 0.22 -0.01 -0.03 -0.03 0.03 0.01 0.08 -0.04 0.00 0.05 0.09 0.10 0.02 0.04 -0.11 0.02 0.02 0.10 0.01 -0.02 -0.07 0.06 0.10 -0.03 0.01 -0.01 -0.00 -0.01 -0.04 0.03 0.02 0.01 -0.00 0.01 0.02 0.09 0.00 -0.05 0.03 0.03 0.01 -0.02 -0.02 0.02 -0.00 0.07 0.11 -0.04 -0.08 -0.00 0.01 0.06 0.15 -0.02 -0.12 -0.02 0.03 0.03 -0.08 -0.06 -0.05 0.11 0.05 0.03 -0.00 -0.00 0.02 0.02 0.01 0.15 0.04 0.07 0.10 0.01 -0.06 0.05 0.07 0.04 -0.07 -0.37 0.16 -0.10 -0.41 0.07 -0.02 -0.04 -0.00 0.00 0.02 0.01 0.06 -0.08 -0.01 0.05 -0.01 0.00 -0.01 0.02 -0.03 0.09 0.09 -0.01 -0.04 -0.03 -0.07 -0.04 0.23 0.22 -0.09 0.11 0.17 0.08 -0.11 0.21 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.07 -0.01 -0.00 -0.07 0.01 0.00 0.07 -0.01 -0.01 -0.07 0.02 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.02 -0.01 0.00 -0.02 0.01 0.01 0.02 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.04 -0.01 -0.02 0.01 0.01 -0.02 0.01 0.00 -0.00 -0.42 0.10 0.02 0.44 -0.10 -0.00 -0.01 -0.00 -0.04 -0.49 0.12 0.02 0.50 -0.12 0.00 0.01 0.02 -0.00 -0.01 -0.02 -0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.04 0.01 -0.14 0.04 -0.01 0.14 -0.04 0.02 -0.10 0.03 -0.00 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 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 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.02 0.01 -0.00 0.02 -0.00 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.02 0.01 -0.07 0.02 -0.00 0.08 -0.02 0.00 -0.06 0.01 -0.00 0.06 0.00 -0.00 -0.00 0.01 -0.03 -0.01 -0.01 0.01 0.00 -0.02 0.01 0.00 -0.00 -0.10 0.02 0.00 0.13 -0.03 -0.00 -0.01 -0.01 -0.02 -0.11 0.03 0.00 0.15 -0.04 -0.02 -0.05 -0.12 0.02 0.05 0.11 -0.02 -0.04 -0.09 0.01 0.04 0.09 0.00 -0.00 0.00 0.15 -0.01 0.50 -0.15 0.02 -0.49 0.12 -0.02 0.38 -0.12 0.03 -0.38 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.05 0.04 0.00 -0.03 -0.02 -0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.02 -0.06 -0.07 0.04 0.05 0.05 -0.00 0.00 -0.00 -0.01 -0.06 -0.03 0.06 0.03 0.04 -0.02 0.01 0.01 -0.01 -0.01 -0.01 0.02 0.00 0.02 -0.01 -0.01 -0.02 0.02 -0.00 0.01 -0.00 0.00 -0.00 -0.03 0.08 0.04 0.04 -0.01 -0.01 0.05 -0.03 -0.01 0.01 -0.03 -0.00 0.01 0.03 0.00 -0.09 0.04 -0.05 0.03 -0.02 0.00 0.03 0.04 -0.01 0.08 0.22 0.49 -0.06 -0.20 -0.48 0.09 0.10 0.33 0.01 -0.20 -0.36 -0.03 -0.03 -0.07 0.03 -0.02 0.13 -0.03 0.01 -0.14 0.04 -0.02 0.11 -0.01 -0.01 -0.10 0.00 0.00 0.02 0.01 0.05 0.02 0.02 -0.02 0.01 -0.02 -0.03 -0.05 0.05 -0.05 -0.02 0.01 -0.04 -0.01 0.07 -0.12 0.01 0.16 0.09 0.02 0.02 -0.02 0.01 -0.07 0.07 0.04 0.06 0.01 -0.00 -0.02 -0.02 -0.02 -0.03 0.01 0.04 -0.03 0.00 -0.04 -0.05 0.01 0.06 -0.05 0.01 -0.07 0.04 -0.00 -0.00 0.01 -0.01 0.00 0.01 0.03 -0.07 -0.05 -0.01 0.07 0.01 -0.01 0.00 -0.00 0.08 -0.07 -0.08 -0.01 0.05 0.04 -0.02 0.01 0.02 0.04 -0.01 -0.03 -0.00 0.02 0.02 0.06 -0.01 -0.06 0.00 0.02 0.01 -0.03 -0.01 0.13 -0.39 -0.17 -0.18 0.02 0.06 -0.25 0.13 0.06 -0.03 0.07 0.03 -0.04 -0.09 -0.02 0.14 -0.14 0.10 -0.13 0.02 0.01 -0.14 -0.13 0.01 0.08 0.17 0.26 -0.12 -0.18 -0.28 -0.07 0.20 0.15 -0.17 -0.03 -0.22 0.02 -0.05 -0.03 0.04 0.02 0.02 -0.04 -0.01 -0.03 -0.02 0.09 0.05 -0.07 0.07 0.01 0.02 -0.02 0.01 -0.01 -0.02 -0.01 -0.02 0.01 0.00 -0.00 0.02 0.03 -0.04 0.03 0.01 -0.09 0.05 0.02 0.20 0.01 -0.06 -0.10 -0.06 -0.01 -0.02 0.01 -0.00 0.07 -0.05 -0.03 -0.04 -0.01 0.00 0.06 0.01 0.00 0.02 -0.00 -0.02 0.02 -0.00 0.01 0.03 -0.01 -0.03 0.03 -0.01 0.04 -0.02 0.01 -0.00 0.03 -0.02 -0.01 -0.01 0.03 -0.03 -0.11 -0.07 0.08 -0.00 0.01 0.00 0.02 0.09 -0.06 -0.16 -0.02 0.05 0.06 -0.02 0.01 -0.01 -0.02 -0.00 0.02 0.00 0.00 -0.02 -0.03 -0.00 0.04 -0.00 -0.01 -0.01 0.01 0.00 -0.09 0.26 0.11 0.12 -0.01 -0.04 0.17 -0.09 -0.05 0.03 -0.02 -0.02 0.04 0.07 0.01 0.55 0.05 0.38 0.08 -0.01 0.00 0.08 0.08 -0.01 0.04 0.07 0.12 -0.15 -0.14 -0.06 -0.05 0.15 0.03 -0.26 0.10 -0.12 0.09 0.00 -0.06 -0.00 -0.02 0.04 0.01 0.01 -0.05 0.02 -0.05 0.03 0.03 -0.04 -0.04 -0.01 0.01 0.02 0.02 0.00 0.03 0.01 0.00 0.00 -0.00 -0.02 -0.01 -0.08 -0.06 -0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.03 0.10 -0.03 -0.03 -0.00 0.01 0.02 -0.03 -0.01 -0.01 0.01 -0.01 0.03 -0.06 0.07 0.03 -0.08 -0.03 0.01 -0.08 0.06 0.00 -0.08 -0.00 0.01 0.16 -0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.02 -0.02 -0.01 0.04 -0.04 -0.02 0.08 0.49 -0.09 0.09 0.42 -0.13 -0.02 -0.00 -0.01 0.05 0.48 -0.06 0.01 0.39 -0.11 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.03 -0.10 0.00 0.01 -0.08 -0.01 0.02 0.03 0.03 -0.03 0.05 0.01 -0.03 0.12 -0.00 -0.02 -0.01 0.00 0.01 0.00 0.01 0.01 0.02 0.24 -0.15 -0.02 -0.01 0.01 -0.00 0.01 0.03 -0.01 -0.05 -0.04 -0.00 0.04 0.06 -0.01 -0.01 -0.03 -0.01 -0.02 -0.01 0.01 0.01 0.02 0.01 -0.09 -0.09 -0.20 -0.12 0.02 0.21 -0.01 -0.07 -0.14 -0.02 0.00 0.16 0.05 0.07 -0.02 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.04 -0.06 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.06 0.08 -0.02 -0.09 -0.02 0.01 0.07 0.15 -0.01 -0.18 0.02 0.06 0.03 -0.05 0.00 -0.05 0.17 0.08 0.06 0.02 -0.02 0.11 -0.07 -0.04 -0.22 0.18 -0.20 -0.24 0.22 0.09 0.04 0.05 0.03 0.06 0.19 -0.19 0.03 0.27 0.09 0.00 0.01 0.04 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.04 0.08 0.10 0.03 -0.09 -0.02 0.11 -0.08 0.23 0.00 -0.20 0.19 0.06 0.03 -0.02 -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -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 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 0.08 -0.02 -0.04 -0.09 -0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.01 0.04 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 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.09 0.22 0.48 0.11 0.25 0.53 -0.01 -0.03 -0.07 -0.01 0.00 0.00 -0.09 -0.23 -0.50 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.01 0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.02 -0.00 0.08 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.01 -0.10 -0.03 0.01 -0.10 0.00 -0.00 0.01 0.01 -0.00 0.01 0.03 -0.01 0.09 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.02 0.04 -0.00 0.02 0.05 -0.02 -0.00 -0.00 -0.00 0.01 0.02 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.03 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.17 0.00 0.56 0.17 -0.02 0.54 -0.02 -0.00 -0.05 -0.02 0.00 -0.08 -0.15 0.03 -0.51 0.10 0.10 0.28 -0.00 -0.01 0.07 -0.03 -0.09 -0.05 0.01 0.01 0.00 -0.02 -0.01 -0.07 0.00 -0.04 0.03 -0.10 0.06 -0.20 -0.02 -0.03 0.00 0.06 -0.03 0.03 -0.02 0.01 -0.13 -0.03 0.04 -0.08 -0.00 -0.01 -0.01 0.00 0.01 0.02 0.01 0.01 -0.03 0.02 0.02 0.03 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.05 0.04 0.29 0.35 -0.56 -0.17 -0.13 0.29 0.31 -0.01 0.02 -0.02 0.03 0.04 0.03 -0.06 -0.04 -0.05 0.01 -0.12 0.00 0.04 -0.09 0.05 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.04 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.06 0.01 -0.00 -0.10 0.03 0.01 0.06 -0.02 0.00 0.10 -0.02 -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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.01 -0.01 0.04 0.01 0.03 -0.04 -0.04 -0.00 0.36 -0.09 0.04 0.61 -0.13 0.00 0.00 0.00 -0.01 -0.34 0.07 -0.05 -0.54 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 -0.01 -0.00 -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 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.02 0.01 -0.07 0.02 -0.00 0.08 0.02 -0.01 0.08 -0.03 0.01 -0.10 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 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 0.05 -0.01 -0.02 -0.05 -0.01 -0.03 -0.07 0.01 0.03 0.06 0.00 0.00 0.00 0.11 0.00 0.38 -0.13 0.02 -0.41 -0.14 0.02 -0.46 0.17 -0.02 0.58 -0.02 0.00 -0.07 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.04 0.07 -0.01 -0.03 -0.05 0.00 0.00 0.00 -0.02 -0.06 -0.11 0.01 0.03 0.05 0.00 0.02 0.04 -0.01 -0.00 -0.01 0.01 0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.04 -0.01 -0.00 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.04 0.01 0.00 0.03 -0.01 -0.07 -0.18 -0.40 0.04 0.11 0.25 0.10 0.30 0.65 -0.05 -0.11 -0.28 -0.04 -0.10 -0.21 0.01 -0.02 0.06 -0.01 0.01 -0.06 -0.01 0.01 -0.04 0.02 -0.01 0.08 -0.00 -0.00 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.11 0.03 0.00 0.07 -0.03 0.01 0.09 -0.03 0.00 -0.06 0.02 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 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 0.02 -0.01 0.01 0.01 -0.00 0.03 -0.03 -0.02 0.00 0.61 -0.13 -0.03 -0.38 0.06 -0.01 -0.01 -0.00 -0.05 -0.53 0.11 0.01 0.33 -0.06 0.01 0.02 0.03 -0.01 -0.01 -0.02 -0.01 -0.02 -0.05 0.00 0.01 0.02 -0.00 0.01 0.02 -0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.06 0.13 0.02 -0.02 -0.04 -0.05 -0.03 -0.02 -0.08 -0.00 -0.00 -0.00 0.05 0.04 0.11 -0.05 -0.12 -0.00 -0.11 0.02 0.04 -0.04 -0.01 0.02 0.10 0.26 0.05 -0.01 -0.15 0.03 -0.03 -0.10 -0.01 0.00 0.02 -0.02 0.00 -0.01 -0.01 0.04 -0.03 -0.04 0.01 0.01 0.03 -0.00 0.00 0.01 0.01 -0.03 0.02 0.08 0.03 -0.04 -0.01 -0.05 0.02 -0.00 0.00 0.00 -0.00 0.04 -0.01 0.00 -0.00 0.00 -0.07 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 -0.07 0.29 -0.08 0.07 0.19 -0.03 0.42 -0.47 -0.33 0.01 -0.13 0.01 0.01 0.03 -0.01 -0.10 -0.21 -0.08 0.08 0.07 -0.04 -0.02 -0.02 0.05 0.10 0.03 -0.00 -0.03 -0.04 0.03 -0.05 0.02 -0.06 0.01 -0.04 -0.00 -0.10 0.00 0.05 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.01 -0.00 0.02 0.00 -0.00 0.01 -0.01 -0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.04 -0.01 -0.01 -0.02 0.03 -0.01 0.09 0.02 -0.00 0.07 -0.03 0.01 -0.09 -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 -0.02 -0.01 -0.02 -0.03 0.00 0.02 0.04 0.01 0.03 0.06 -0.01 -0.02 -0.05 0.08 0.01 0.25 0.04 -0.02 0.17 -0.16 0.02 -0.55 -0.13 0.03 -0.43 0.16 -0.03 0.55 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.02 0.05 -0.00 0.01 0.00 -0.00 -0.01 -0.04 -0.01 -0.04 -0.09 0.00 0.04 0.07 0.15 0.02 -0.04 -0.08 -0.14 0.02 -0.02 -0.03 -0.01 0.03 0.01 -0.02 -0.07 0.12 0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.04 -0.08 -0.06 -0.14 -0.28 0.05 0.12 0.24 0.11 0.25 0.58 -0.08 -0.18 -0.39 0.14 0.09 -0.11 -0.13 -0.13 0.01 0.01 -0.03 0.09 0.04 0.02 0.04 -0.09 0.14 -0.04 0.02 0.04 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.01 0.01 0.02 0.00 -0.05 -0.01 -0.03 0.01 0.01 -0.01 -0.00 0.00 0.03 0.08 0.02 -0.00 -0.05 0.01 -0.01 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.33 -0.12 0.13 0.06 0.33 -0.16 0.00 -0.00 -0.00 0.01 0.07 -0.05 -0.07 -0.04 0.01 0.28 -0.20 0.06 -0.01 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.02 0.08 -0.04 0.01 0.08 -0.00 0.13 -0.15 -0.11 -0.00 -0.02 0.00 -0.00 -0.00 -0.01 0.02 -0.03 0.02 0.02 0.00 -0.01 -0.01 0.00 0.02 -0.31 -0.22 0.12 0.17 0.31 -0.21 0.04 0.09 0.04 -0.03 -0.01 0.11 0.27 -0.25 -0.02 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -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 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.01 0.05 0.00 -0.01 -0.00 -0.00 -0.01 -0.03 -0.02 -0.05 -0.09 -0.01 0.04 0.06 -0.16 -0.01 0.06 0.08 0.15 -0.02 0.01 0.02 -0.01 -0.02 -0.00 0.01 0.08 -0.14 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.04 -0.05 -0.05 -0.15 -0.29 0.06 0.10 0.19 0.12 0.24 0.62 -0.09 -0.16 -0.38 -0.18 -0.03 -0.01 0.10 0.14 -0.01 0.02 0.01 0.04 -0.02 0.00 -0.00 0.08 -0.14 -0.05 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.04 -0.00 -0.00 -0.00 -0.02 -0.00 0.03 0.01 0.01 0.00 -0.01 0.00 0.02 0.05 0.17 0.03 -0.05 -0.17 0.03 -0.06 -0.20 0.03 0.05 0.20 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -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 0.01 -0.00 -0.02 -0.00 0.01 0.00 0.00 0.00 0.05 -0.13 -0.06 -0.09 0.04 0.04 -0.08 0.04 0.00 -0.24 0.02 0.32 -0.20 -0.05 -0.31 0.01 0.02 0.01 -0.26 -0.02 -0.42 -0.30 0.10 0.38 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.02 -0.00 0.03 -0.01 -0.01 0.03 -0.00 -0.01 -0.02 -0.01 0.01 0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -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 -0.01 -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 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.01 -0.02 0.01 0.02 0.02 -0.01 0.02 -0.01 -0.00 0.03 0.08 -0.00 -0.08 0.02 0.02 -0.13 -0.10 0.03 0.16 0.07 -0.04 0.06 -0.13 -0.03 0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.02 -0.01 0.01 -0.02 -0.00 -0.01 0.01 -0.00 0.00 -0.02 0.01 -0.03 -0.02 0.01 0.03 -0.02 0.06 -0.02 -0.04 0.01 0.02 -0.06 -0.02 0.01 -0.02 0.06 -0.07 0.03 -0.00 0.02 0.01 0.39 -0.02 -0.44 0.21 0.15 -0.46 0.07 0.15 0.15 0.42 -0.03 0.05 -0.16 -0.02 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 0.02 -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 0.01 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.02 0.07 -0.03 -0.08 -0.02 0.03 0.00 -0.00 -0.00 -0.09 -0.14 0.09 0.11 0.11 -0.08 0.13 -0.08 0.02 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.02 0.01 -0.01 -0.02 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.02 -0.02 -0.01 0.03 0.01 0.02 -0.03 -0.03 0.01 -0.00 -0.01 0.00 -0.00 0.01 0.04 -0.03 0.02 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.17 0.40 -0.15 -0.33 0.02 0.04 -0.46 -0.09 0.12 -0.03 0.50 -0.13 0.17 -0.06 -0.04 -0.02 -0.04 -0.01 0.08 -0.03 -0.02 0.08 -0.02 -0.01 -0.02 -0.06 0.01 0.00 0.02 -0.00 -0.05 -0.11 -0.05 -0.01 0.01 -0.04 0.00 -0.00 0.02 -0.00 -0.00 -0.01 0.01 0.04 0.01 -0.02 -0.09 0.01 -0.02 0.09 0.27 -0.02 -0.01 0.04 0.05 0.04 -0.02 0.01 -0.03 -0.15 0.03 0.14 -0.03 -0.01 0.00 -0.03 0.02 -0.01 -0.03 0.04 -0.01 -0.03 -0.03 0.00 -0.00 0.00 0.01 0.02 0.01 -0.03 0.01 0.03 0.00 -0.01 -0.02 0.03 -0.01 0.00 -0.00 -0.00 -0.02 0.02 -0.01 0.02 0.02 -0.01 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 -0.01 -0.08 0.29 0.31 -0.54 -0.18 0.02 0.19 0.27 -0.06 -0.04 0.00 0.14 0.02 0.03 -0.06 -0.11 -0.03 0.15 -0.00 0.03 -0.23 0.03 0.10 0.04 -0.02 0.00 -0.13 0.05 0.01 -0.15 0.05 0.00 0.02 0.03 -0.01 -0.08 -0.13 0.07 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.02 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 0.11 -0.06 -0.04 0.19 0.00 0.01 -0.04 0.02 0.01 -0.14 -0.01 -0.00 0.00 0.02 -0.01 0.01 0.01 0.04 0.02 -0.02 -0.04 -0.06 0.01 0.03 -0.07 -0.01 -0.04 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.03 0.03 0.01 0.00 -0.04 -0.00 -0.01 -0.03 0.00 -0.03 0.01 0.01 0.03 0.01 -0.01 -0.23 0.52 0.28 0.26 -0.03 -0.10 0.28 -0.08 0.05 -0.16 0.04 0.14 -0.07 0.01 -0.12 -0.00 -0.01 0.00 -0.18 0.01 -0.04 -0.27 0.02 0.06 0.02 -0.02 0.01 -0.04 0.02 0.00 -0.03 0.01 -0.00 0.00 -0.01 -0.01 -0.03 -0.04 0.03 -0.04 0.20 0.01 0.14 -0.12 -0.05 0.02 -0.05 -0.01 -0.04 0.14 0.02 0.19 0.11 -0.05 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 0.00 -0.00 0.00 -0.00 -0.03 0.02 0.02 -0.06 -0.00 -0.00 0.01 -0.01 -0.00 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.02 -0.01 -0.00 0.02 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.08 0.06 0.03 0.02 -0.10 -0.01 -0.03 -0.08 0.01 -0.05 0.02 0.02 0.07 0.04 -0.02 0.07 -0.16 -0.08 -0.08 0.00 0.03 -0.08 0.03 -0.01 0.07 -0.02 -0.05 0.03 -0.00 0.04 -0.00 0.00 -0.00 0.07 0.01 0.03 0.10 -0.00 -0.03 0.00 -0.01 0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.02 -0.00 0.00 0.01 -0.11 0.43 0.03 0.40 -0.30 -0.13 0.08 -0.15 -0.03 -0.07 0.29 0.03 0.44 0.28 -0.11 0.00 0.02 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.02 -0.01 0.01 0.00 0.03 0.05 0.01 0.00 0.02 0.00 0.00 -0.00 -0.01 -0.01 -0.03 -0.01 -0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.02 -0.00 -0.01 -0.00 0.00 0.01 0.02 0.04 -0.02 -0.10 0.03 0.00 0.07 -0.08 0.03 0.00 -0.00 -0.00 0.02 -0.06 0.03 -0.07 -0.03 0.03 0.04 0.07 -0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.02 0.06 0.08 -0.09 -0.04 0.04 0.01 0.04 -0.06 -0.00 0.02 0.06 0.00 0.01 -0.03 -0.06 -0.01 0.07 0.00 0.03 -0.12 0.02 0.04 -0.25 0.35 -0.11 0.38 -0.16 -0.02 0.26 -0.11 0.01 -0.11 0.03 0.00 0.37 0.45 -0.28 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.05 0.01 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.02 0.04 0.04 -0.02 -0.05 0.01 0.01 -0.03 0.02 -0.00 -0.01 -0.05 0.00 0.03 -0.00 -0.01 0.01 -0.01 0.01 0.09 -0.03 0.07 0.01 0.03 -0.08 0.00 0.02 -0.06 0.01 0.02 0.06 0.01 0.04 0.00 -0.01 -0.02 0.02 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -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 -0.02 0.03 0.08 0.02 -0.03 -0.01 0.02 0.02 0.03 0.39 -0.03 -0.12 -0.37 0.01 -0.16 -0.04 -0.09 -0.02 -0.48 -0.02 -0.24 0.49 -0.08 -0.17 -0.06 0.10 -0.04 0.05 -0.02 -0.00 -0.00 -0.00 0.00 -0.03 0.02 -0.00 0.08 0.08 -0.05 -0.00 -0.02 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.05 -0.02 0.01 -0.10 -0.02 -0.03 -0.09 -0.00 0.00 -0.00 0.11 0.05 0.36 -0.04 -0.00 -0.04 0.01 -0.21 -0.06 -0.01 0.03 -0.01 -0.04 -0.05 -0.08 0.01 0.11 0.01 0.01 0.09 -0.10 -0.04 -0.01 0.00 0.04 -0.00 0.01 0.03 -0.00 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.00 0.03 -0.03 0.01 -0.01 0.02 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 -0.01 -0.02 0.02 -0.01 -0.01 -0.03 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.02 -0.00 0.02 0.01 -0.00 0.04 -0.13 0.02 -0.14 -0.04 0.06 -0.26 0.24 0.12 -0.19 0.06 0.06 0.18 0.02 0.09 0.04 -0.18 0.02 0.24 0.01 0.12 -0.17 0.03 0.07 -0.09 0.17 -0.07 0.03 -0.01 -0.02 0.23 -0.03 -0.03 -0.10 0.18 -0.05 -0.15 -0.20 0.11 -0.00 -0.01 0.00 -0.09 0.05 0.03 -0.09 0.05 0.03 0.00 -0.18 -0.01 0.17 0.11 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.01 0.00 0.03 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.02 -0.02 -0.01 0.01 0.06 0.00 -0.05 -0.03 0.01 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.02 0.02 0.01 -0.02 0.00 0.00 0.02 0.00 0.01 0.01 -0.01 0.00 0.01 0.00 0.00 -0.03 0.01 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 -0.00 -0.01 0.00 0.01 0.03 -0.00 0.29 -0.15 -0.10 0.28 -0.16 -0.09 -0.01 0.58 0.03 -0.53 -0.35 0.14 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.03 -0.02 0.01 0.03 -0.00 -0.00 0.03 0.04 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.02 -0.01 -0.05 0.02 0.02 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.05 -0.02 -0.00 -0.01 0.03 -0.01 -0.03 -0.04 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.05 0.05 -0.06 -0.03 0.04 0.00 0.03 0.07 -0.01 -0.02 -0.08 -0.00 -0.05 0.02 0.04 0.02 -0.08 -0.00 -0.04 0.07 -0.01 -0.03 -0.11 0.23 -0.09 0.10 -0.02 -0.01 0.57 -0.11 -0.05 -0.15 0.32 -0.12 -0.36 -0.42 0.26 -0.00 0.03 -0.00 -0.01 0.01 0.00 0.03 -0.01 -0.01 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.03 -0.15 0.02 0.00 -0.02 0.05 0.01 -0.01 0.06 -0.01 -0.00 -0.00 -0.00 0.09 -0.14 -0.04 -0.11 0.05 0.01 -0.01 -0.14 -0.04 -0.01 -0.02 0.02 0.09 0.04 0.00 -0.01 0.09 0.04 0.19 -0.05 -0.04 0.00 0.00 0.04 0.01 0.02 0.03 -0.00 -0.01 -0.01 0.00 0.01 0.02 -0.00 -0.01 0.05 -0.06 0.01 -0.01 0.03 -0.01 0.03 -0.01 0.00 -0.01 0.01 0.00 0.02 0.01 -0.01 -0.04 0.01 0.00 -0.00 -0.02 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.04 -0.22 -0.11 0.27 0.09 0.02 -0.17 -0.19 -0.14 0.01 0.05 0.24 -0.01 0.16 -0.17 -0.04 -0.09 0.16 0.01 0.06 -0.21 0.04 0.11 -0.16 0.36 -0.14 0.07 -0.03 -0.01 0.26 -0.03 -0.03 -0.14 0.23 -0.08 -0.12 -0.15 0.09 0.00 -0.07 -0.00 0.06 -0.03 -0.02 -0.04 0.01 0.01 0.01 0.03 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 -0.05 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.05 0.01 -0.02 0.01 0.01 0.05 -0.01 -0.02 -0.03 -0.03 0.01 -0.01 -0.02 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.05 0.01 0.04 -0.02 -0.01 -0.03 -0.01 -0.01 -0.01 0.10 0.01 0.07 0.09 -0.02 -0.05 0.00 -0.00 0.00 0.02 -0.00 0.00 -0.02 0.01 0.00 -0.01 -0.01 -0.03 0.02 0.02 -0.01 -0.04 0.58 0.02 -0.38 0.19 0.12 0.50 -0.25 -0.16 -0.02 -0.22 -0.00 -0.12 -0.09 0.03 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.04 0.02 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.02 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.02 0.01 0.05 -0.02 -0.01 -0.06 0.02 0.00 0.01 0.01 -0.00 -0.01 -0.10 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.06 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.00 0.01 -0.01 -0.00 -0.01 0.03 0.00 -0.02 0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.01 -0.01 -0.00 0.00 0.00 0.01 -0.34 0.06 0.22 -0.28 -0.03 -0.22 -0.02 0.00 -0.01 0.44 0.03 0.29 0.47 -0.09 -0.25 -0.01 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.10 -0.01 0.03 -0.02 -0.01 -0.18 0.13 0.06 -0.03 0.17 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.01 0.01 -0.04 0.02 0.07 -0.03 0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.01 -0.03 0.04 -0.02 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.03 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.17 -0.40 0.15 0.53 -0.12 -0.06 -0.31 0.05 0.03 -0.25 0.52 -0.18 -0.05 -0.04 0.02 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.11 -0.03 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.03 -0.02 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.07 0.00 -0.01 -0.08 -0.00 -0.00 0.05 -0.00 0.01 0.05 -0.00 -0.01 0.13 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.15 0.23 0.06 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.06 0.01 -0.03 0.04 0.01 -0.00 -0.09 -0.00 0.08 -0.03 -0.03 -0.01 0.01 0.00 -0.02 0.04 0.08 0.02 -0.02 -0.01 0.02 0.03 0.05 -0.45 0.05 0.18 -0.37 -0.01 -0.18 -0.01 0.02 -0.01 0.21 0.02 0.10 0.17 -0.02 -0.06 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.02 0.01 0.00 -0.02 0.02 -0.01 -0.00 -0.00 0.00 -0.02 -0.10 0.00 0.13 -0.04 -0.05 0.27 -0.25 -0.09 0.10 -0.39 -0.05 0.00 0.01 -0.00 -0.01 -0.08 0.04 0.00 0.00 -0.00 -0.01 -0.02 -0.03 0.01 -0.01 -0.00 0.03 -0.04 0.12 0.08 -0.04 -0.01 0.06 0.24 -0.05 -0.04 -0.04 0.00 -0.05 -0.09 -0.04 -0.02 -0.09 0.04 0.02 0.13 -0.07 -0.02 0.01 0.01 -0.01 0.01 -0.01 0.02 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.16 0.19 -0.05 -0.03 0.00 0.00 -0.06 0.01 0.00 -0.01 0.02 0.00 0.00 -0.07 0.03 0.08 -0.02 -0.01 -0.00 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.05 0.18 -0.14 0.13 0.22 -0.03 0.24 -0.26 -0.14 -0.02 -0.04 0.02 0.01 -0.04 0.02 0.27 -0.30 0.14 0.10 0.00 0.04 0.08 -0.01 -0.02 0.09 -0.30 0.13 0.09 -0.01 -0.01 0.31 -0.13 0.01 0.15 -0.16 0.05 -0.04 -0.03 0.02 -0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.02 -0.02 -0.01 0.01 -0.03 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.02 0.01 0.01 0.00 -0.01 -0.01 -0.03 0.02 -0.00 -0.00 0.01 -0.01 0.07 -0.08 0.11 -0.02 0.20 0.18 -0.02 -0.17 -0.04 0.01 -0.07 -0.13 -0.04 -0.07 -0.06 0.01 -0.01 -0.03 0.00 -0.01 0.01 0.00 -0.02 0.00 -0.01 0.03 -0.01 -0.04 0.03 0.01 0.04 -0.04 0.00 0.00 0.16 -0.18 0.05 0.03 -0.01 0.00 0.05 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.06 -0.03 -0.07 0.02 0.01 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 -0.11 0.27 0.00 0.24 0.13 -0.09 0.28 -0.15 0.00 0.20 -0.07 -0.09 0.18 -0.01 0.12 -0.17 0.27 -0.08 0.15 -0.00 0.04 0.16 -0.02 -0.03 -0.07 0.23 -0.10 -0.13 0.02 0.01 -0.30 0.13 -0.01 -0.13 0.12 -0.03 0.03 0.02 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.05 -0.03 0.00 -0.01 -0.01 0.01 0.01 0.02 -0.00 0.01 0.00 -0.01 0.00 -0.09 0.05 -0.07 0.01 0.29 -0.22 0.01 -0.28 -0.00 -0.03 0.01 0.13 0.06 -0.11 0.09 -0.03 -0.01 -0.05 0.04 -0.05 0.00 0.01 -0.03 0.00 -0.00 0.07 -0.02 -0.05 0.05 0.01 0.07 -0.02 -0.00 -0.01 -0.09 0.10 -0.03 -0.02 0.00 -0.00 -0.03 0.00 0.00 0.02 -0.02 -0.01 -0.00 -0.04 0.02 0.04 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.14 0.17 0.26 0.16 -0.12 -0.06 0.07 0.17 0.22 0.22 -0.01 -0.13 0.31 0.05 0.21 0.10 -0.12 0.05 0.26 -0.01 0.06 0.23 -0.02 -0.02 0.04 -0.14 0.06 0.08 -0.01 -0.01 0.18 -0.08 0.00 0.07 -0.07 0.02 -0.02 -0.01 0.01 -0.00 0.01 -0.00 -0.03 0.01 0.01 -0.01 0.01 0.00 -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 -0.01 -0.26 0.11 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.04 0.02 -0.00 -0.03 -0.01 -0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.09 -0.01 -0.06 -0.09 0.01 0.05 0.09 0.00 0.01 0.09 0.00 0.00 0.36 -0.03 0.02 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.12 -0.15 -0.04 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.05 -0.01 0.00 -0.02 -0.00 -0.01 0.05 0.00 -0.04 -0.02 0.01 0.02 0.02 -0.00 -0.02 0.06 0.06 0.01 0.03 -0.01 0.04 -0.00 0.03 -0.52 0.03 0.15 -0.47 -0.01 -0.17 -0.00 0.02 -0.00 -0.05 -0.03 -0.09 -0.02 -0.00 0.09 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.18 0.01 -0.03 -0.01 0.02 -0.11 0.12 0.04 -0.06 0.24 0.03 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.03 -0.02 0.04 0.15 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.01 0.09 -0.02 -0.08 -0.09 -0.02 -0.08 -0.06 -0.01 -0.08 0.07 -0.02 -0.07 0.01 0.05 0.21 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.19 -0.16 0.04 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 0.09 -0.00 0.09 -0.02 -0.03 0.14 -0.04 -0.04 0.01 0.15 0.00 -0.08 -0.06 0.02 0.01 -0.01 -0.05 0.00 0.01 0.01 -0.03 -0.00 -0.02 -0.20 -0.01 0.07 0.20 0.02 0.08 -0.00 -0.01 -0.00 -0.12 -0.03 -0.12 0.13 -0.02 -0.11 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.02 0.36 0.00 0.29 -0.12 -0.10 -0.34 0.22 0.12 0.04 -0.41 -0.03 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 -0.01 -0.01 -0.10 0.05 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.28 0.17 -0.12 0.07 -0.19 0.08 -0.17 0.00 0.02 -0.00 -0.00 0.00 -0.23 0.05 0.02 0.04 -0.21 0.09 0.12 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 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 0.01 -0.09 -0.29 -0.09 -0.02 -0.00 -0.01 0.01 -0.00 -0.00 0.03 -0.10 0.05 -0.34 0.03 0.05 0.34 -0.06 -0.04 -0.25 0.41 -0.15 -0.10 -0.11 0.07 -0.00 0.02 -0.00 0.02 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.02 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.02 0.00 0.01 0.02 -0.00 -0.00 -0.01 0.00 0.02 -0.02 -0.05 -0.01 0.07 0.27 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.01 -0.01 0.10 -0.02 -0.07 -0.10 -0.02 -0.09 -0.14 -0.01 -0.10 0.14 -0.03 -0.08 -0.01 0.04 0.10 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 0.12 0.08 -0.02 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.06 -0.00 -0.05 0.01 0.01 -0.09 0.03 0.03 -0.01 -0.10 -0.00 0.05 0.04 -0.01 0.01 0.03 -0.00 -0.05 0.05 0.02 -0.05 0.02 0.01 0.32 -0.08 -0.18 -0.27 -0.01 -0.20 -0.01 -0.02 -0.01 0.35 0.01 0.20 -0.29 0.07 0.13 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.21 -0.01 -0.19 0.08 0.06 0.19 -0.12 -0.06 -0.03 0.28 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 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.03 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.05 -0.01 -0.04 -0.04 -0.01 -0.04 0.02 -0.00 -0.01 -0.03 -0.00 -0.01 -0.01 0.04 0.14 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.07 0.05 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.00 -0.04 0.01 0.01 -0.06 0.02 0.02 -0.00 -0.06 -0.00 0.04 0.03 -0.01 0.01 -0.04 -0.07 0.05 -0.04 -0.00 0.00 -0.02 -0.04 -0.44 0.05 0.21 0.48 0.04 0.27 0.00 -0.00 0.00 -0.35 -0.03 -0.24 0.34 -0.06 -0.21 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.08 -0.00 -0.07 0.03 0.02 0.11 -0.07 -0.04 -0.01 0.14 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 0.02 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 0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -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 0.02 -0.13 -0.01 -0.12 0.08 0.04 -0.04 0.03 0.01 0.02 -0.04 -0.01 0.11 0.07 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.06 -0.01 -0.03 -0.03 -0.00 -0.02 0.00 0.00 0.00 0.04 0.00 0.02 -0.01 0.00 0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.57 0.02 0.45 -0.21 -0.14 -0.22 0.14 0.07 0.03 -0.34 -0.03 -0.30 -0.21 0.08 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.01 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 -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 -0.05 -0.02 0.01 0.05 -0.08 0.03 -0.09 0.03 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.02 -0.01 0.00 0.06 0.08 -0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 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 0.11 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.18 0.44 -0.17 0.60 -0.10 -0.07 -0.32 0.06 0.03 0.13 -0.25 0.09 -0.21 -0.23 0.15 0.00 0.02 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.03 0.15 -0.01 0.01 -0.08 0.02 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.02 -0.07 -0.02 0.05 -0.10 -0.05 -0.01 -0.07 0.02 -0.01 -0.00 -0.01 0.03 -0.00 -0.00 0.03 -0.00 0.00 -0.03 0.00 -0.00 -0.01 0.01 0.02 -0.01 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 0.41 0.18 -0.26 0.52 -0.02 -0.27 0.27 0.43 0.00 -0.01 -0.02 0.02 -0.01 -0.00 -0.09 0.09 -0.05 -0.08 -0.01 -0.06 0.04 -0.01 -0.04 0.03 -0.05 0.01 -0.04 0.01 -0.00 0.11 -0.02 -0.01 -0.01 0.05 -0.02 0.05 0.06 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.01 0.01 0.01 0.02 0.01 0.00 0.02 -0.00 -0.00 0.00 0.00 0.04 0.23 -0.01 0.02 -0.12 0.02 0.01 0.02 0.01 0.01 -0.00 -0.01 -0.04 -0.13 -0.04 -0.05 0.09 0.04 -0.02 -0.12 0.04 0.02 -0.00 0.00 -0.01 0.00 0.01 -0.02 0.00 0.01 0.01 0.00 0.00 0.01 -0.01 -0.03 -0.02 0.01 -0.01 0.01 0.02 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.04 0.01 0.00 0.03 -0.02 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 -0.38 -0.17 0.28 -0.46 -0.00 0.27 -0.24 -0.36 -0.02 0.01 0.02 -0.04 0.01 -0.01 -0.15 0.21 -0.08 0.03 0.01 0.04 -0.05 0.01 0.04 0.04 -0.05 0.01 -0.03 0.02 -0.01 0.17 -0.03 -0.02 -0.02 0.09 -0.04 0.09 0.10 -0.06 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.04 0.00 -0.04 -0.16 0.00 -0.00 0.01 0.00 -0.03 -0.02 0.00 -0.01 0.01 0.17 0.00 0.04 -0.16 0.01 0.03 -0.17 0.01 0.02 0.17 -0.00 0.02 -0.01 -0.03 -0.11 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.02 0.00 0.01 0.00 -0.00 -0.01 0.06 0.03 -0.02 0.19 -0.03 -0.02 0.09 0.18 -0.35 0.08 0.32 0.31 0.06 0.34 -0.00 0.00 -0.00 0.22 0.05 0.29 -0.29 0.09 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 -0.05 0.02 0.02 -0.00 -0.05 -0.00 -0.05 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.04 -0.08 0.04 0.05 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.04 0.01 0.01 -0.00 0.00 0.01 0.05 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.07 0.04 0.09 -0.01 -0.01 -0.05 0.08 -0.03 -0.00 0.00 0.00 -0.11 0.06 -0.01 0.10 -0.08 0.02 -0.05 -0.05 0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.06 0.02 -0.05 -0.03 0.02 -0.05 -0.01 -0.03 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.11 0.59 -0.02 0.01 0.00 0.00 0.01 -0.00 -0.00 0.05 0.12 -0.06 0.23 0.03 -0.06 0.36 -0.01 -0.06 -0.06 0.30 -0.12 0.28 0.32 -0.20 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 0.01 -0.00 -0.00 -0.00 0.00 0.03 0.02 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.05 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 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 -0.00 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 -0.05 0.48 0.15 -0.32 -0.45 0.14 -0.43 -0.13 -0.45 -0.00 -0.00 0.01 0.04 -0.00 0.03 0.00 -0.03 0.00 0.02 0.00 0.01 0.01 0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.02 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.02 -0.04 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 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.06 -0.04 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.05 -0.03 -0.02 -0.01 0.06 0.01 -0.03 0.07 0.01 0.05 -0.05 -0.02 -0.06 -0.04 0.02 0.00 -0.22 0.55 -0.47 0.01 0.10 0.36 -0.11 -0.06 -0.03 0.00 0.02 0.02 -0.01 0.03 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.04 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 0.05 0.11 -0.01 0.13 -0.01 -0.04 0.20 -0.05 -0.06 0.05 0.18 -0.01 0.28 0.18 -0.07 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 0.02 -0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.07 0.05 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.06 0.03 0.02 0.02 -0.07 -0.01 0.04 -0.08 -0.02 -0.06 0.06 0.02 0.07 0.05 -0.02 0.00 -0.23 0.50 -0.42 0.03 0.09 0.36 -0.09 -0.03 -0.03 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.04 -0.00 -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 -0.06 -0.12 0.01 -0.16 0.01 0.05 -0.24 0.06 0.08 -0.06 -0.20 0.01 -0.33 -0.21 0.09 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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.02 0.00 0.02 0.02 -0.01 -0.02 -0.02 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.09 0.11 0.03 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.03 -0.13 0.00 0.12 -0.00 -0.04 0.13 -0.02 -0.04 -0.03 -0.14 0.00 -0.06 0.08 0.02 -0.00 0.02 -0.02 0.02 -0.01 -0.00 -0.02 0.00 -0.00 -0.05 0.00 0.02 -0.07 -0.00 -0.03 0.01 -0.03 0.01 -0.06 -0.00 -0.03 -0.07 0.01 0.03 -0.01 0.02 -0.01 -0.01 0.01 0.00 -0.02 0.01 -0.00 -0.01 0.01 -0.01 0.00 0.01 -0.00 -0.07 0.50 0.04 -0.31 0.24 0.10 -0.35 0.26 0.12 -0.06 0.48 0.04 -0.03 0.12 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.02 -0.03 0.02 0.00 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 0.02 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 0.10 -0.03 -0.01 -0.03 0.11 -0.05 -0.05 -0.04 0.03 -0.00 0.01 0.00 -0.11 -0.05 0.04 -0.06 0.09 -0.03 0.11 0.01 -0.03 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 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 -0.21 0.50 -0.09 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.21 -0.40 0.15 0.24 -0.11 0.00 0.28 -0.13 0.01 0.15 -0.36 0.14 -0.06 -0.21 0.11 -0.00 0.03 0.00 -0.01 0.01 0.00 -0.02 0.01 0.01 -0.00 0.02 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.02 -0.04 0.04 0.04 -0.07 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.02 0.00 0.00 -0.00 0.00 0.01 0.03 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.03 0.08 -0.04 -0.04 -0.02 0.01 0.09 -0.01 -0.01 -0.00 0.00 0.00 0.08 -0.04 0.01 -0.03 -0.08 0.04 0.01 0.09 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.01 0.02 0.00 0.01 -0.23 0.73 -0.07 0.02 0.00 0.01 0.02 -0.00 -0.01 -0.07 0.03 0.00 -0.40 0.08 0.03 -0.29 0.02 0.04 -0.13 0.12 -0.04 -0.19 -0.12 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 0.01 0.00 0.00 0.00 -0.03 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 0.14 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.08 0.02 0.09 -0.08 -0.02 -0.09 -0.10 -0.02 -0.11 -0.10 0.03 0.09 0.16 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.02 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 0.01 0.01 -0.00 0.03 -0.01 -0.01 0.00 -0.03 -0.00 -0.02 0.01 0.01 0.00 -0.06 0.06 -0.07 0.04 0.01 0.06 -0.00 0.02 0.44 -0.04 -0.16 0.46 0.03 0.22 0.02 -0.06 0.00 0.40 0.02 0.19 0.37 -0.06 -0.13 0.00 0.00 -0.00 0.02 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.05 0.01 -0.02 0.03 0.01 -0.07 0.04 0.02 -0.00 0.08 0.00 0.00 0.03 0.00 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.03 -0.01 -0.07 -0.26 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.06 0.04 0.15 0.12 0.04 0.18 -0.10 -0.04 -0.19 0.06 -0.05 -0.17 -0.00 0.07 0.30 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.12 -0.13 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 0.18 -0.00 0.07 0.07 -0.02 -0.07 -0.07 0.02 -0.05 -0.17 0.01 0.14 0.14 -0.04 -0.01 0.03 -0.03 0.05 -0.03 -0.01 -0.02 -0.00 -0.01 0.25 0.01 0.01 -0.34 -0.01 -0.08 -0.00 -0.00 -0.00 0.26 -0.02 0.02 -0.22 0.01 -0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 -0.25 -0.03 -0.00 0.11 0.00 -0.02 -0.11 -0.00 -0.07 0.21 0.03 -0.22 -0.10 0.06 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.07 -0.03 -0.13 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.13 0.03 0.10 -0.04 0.02 0.06 0.04 -0.02 -0.07 0.11 -0.03 -0.10 -0.03 0.05 0.15 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.17 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.05 -0.28 -0.03 0.13 -0.19 -0.05 -0.14 0.18 0.05 -0.04 0.29 0.03 0.00 -0.15 -0.01 -0.00 0.01 -0.01 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.24 -0.02 -0.08 -0.05 0.02 0.06 -0.00 0.00 -0.00 0.07 -0.02 -0.07 -0.16 0.02 0.03 -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 0.02 0.36 0.01 -0.26 0.00 0.07 0.26 -0.03 -0.08 -0.02 -0.37 -0.01 0.14 -0.08 -0.05 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.08 -0.03 -0.12 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.08 0.01 0.04 0.16 0.02 0.12 -0.13 -0.02 -0.11 -0.07 -0.01 -0.07 0.04 0.05 0.15 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.27 0.12 -0.07 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.13 -0.06 0.04 -0.24 0.03 0.07 0.24 -0.03 -0.07 0.13 0.06 -0.03 -0.25 -0.11 0.07 -0.00 0.02 -0.02 0.03 -0.02 -0.01 -0.02 0.00 -0.00 -0.01 0.02 0.09 -0.29 -0.02 -0.15 0.01 -0.02 0.01 0.17 0.01 0.07 -0.03 -0.02 -0.11 0.01 0.00 -0.00 -0.02 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.15 0.07 0.05 0.20 -0.21 -0.07 -0.20 0.22 0.07 0.15 -0.07 -0.05 0.24 0.22 -0.06 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.02 0.02 -0.01 -0.05 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.23 0.20 -0.14 -0.08 -0.12 0.07 -0.22 -0.06 0.07 0.01 0.00 -0.00 0.20 0.05 -0.06 0.07 0.14 -0.08 -0.19 -0.19 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.24 0.44 -0.11 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.17 0.05 0.01 0.30 -0.18 0.02 -0.22 0.14 -0.03 0.20 -0.09 0.01 0.18 0.24 -0.15 -0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 0.01 0.01 -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 0.01 -0.01 -0.01 0.02 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.12 -0.16 0.05 -0.17 0.25 -0.09 -0.24 0.13 -0.02 0.00 0.00 -0.00 0.23 -0.13 0.02 0.16 -0.24 0.08 -0.07 0.12 -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 0.02 -0.17 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.10 -0.37 0.15 0.37 0.02 -0.08 -0.30 -0.04 0.07 -0.10 0.32 -0.13 -0.16 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 -0.01 -0.00 -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 -0.17 0.01 0.03 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 0.01 -0.00 0.28 -0.03 -0.08 0.24 0.01 0.06 -0.25 0.00 -0.06 -0.27 0.04 0.09 0.18 -0.03 -0.04 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.12 0.04 0.04 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.06 -0.08 -0.02 0.14 -0.07 -0.04 -0.12 0.07 0.04 -0.06 0.07 0.02 0.08 -0.01 -0.03 -0.00 0.02 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.30 0.05 0.21 -0.22 -0.05 -0.23 -0.01 0.01 -0.00 0.20 0.04 0.24 0.26 -0.07 -0.19 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.06 0.12 -0.01 -0.17 0.09 0.05 0.14 -0.08 -0.05 -0.06 -0.08 0.01 -0.03 -0.09 0.00 -0.01 -0.01 -0.03 -0.03 0.12 -0.36 -0.10 -0.12 -0.31 -0.00 0.00 0.00 -0.00 0.03 -0.08 -0.00 0.01 0.02 -0.02 -0.00 -0.08 0.03 0.01 0.03 0.04 -0.22 0.56 -0.00 0.01 0.01 0.17 0.21 0.49 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.02 0.01 -0.00 0.02 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 -0.02 0.03 0.02 0.06 -0.04 -0.04 -0.00 -0.01 -0.01 0.03 -0.01 0.01 0.04 -0.13 0.02 -0.02 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.01 0.01 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.03 -0.10 0.32 -0.10 -0.12 -0.32 0.00 -0.00 -0.00 -0.00 0.02 -0.03 0.00 0.00 0.00 -0.00 -0.04 0.01 -0.02 0.00 -0.00 -0.05 0.15 -0.54 0.01 -0.00 -0.01 0.17 0.16 0.57 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 -0.00 0.01 0.01 -0.01 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.04 -0.01 -0.05 0.05 0.06 -0.03 0.01 0.02 -0.01 0.00 -0.01 0.06 -0.20 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.05 0.02 0.00 0.02 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 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 0.63 0.11 0.05 -0.13 -0.04 -0.47 -0.15 -0.49 0.28 -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 -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.73 0.11 0.05 0.05 0.01 0.24 0.14 0.52 -0.30 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 -0.09 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.15 0.03 -0.00 0.21 0.08 0.81 -0.13 -0.43 0.24 -0.00 -0.00 -0.00 0.03 -0.01 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.06 -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.04 -0.02 -0.01 -0.00 0.00 0.02 -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 0.70 0.23 -0.24 -0.01 -0.03 0.02 -0.07 -0.50 0.25 0.08 0.03 -0.03 -0.21 0.16 -0.04 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.02 -0.05 0.00 0.04 0.00 -0.01 -0.02 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 -0.13 -0.01 0.04 0.08 0.17 -0.02 0.28 0.55 -0.06 -0.47 -0.03 0.14 0.29 -0.47 -0.11 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.01 0.02 0.01 -0.01 -0.05 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 0.48 0.16 -0.17 0.01 0.09 -0.04 0.04 0.32 -0.16 -0.27 -0.09 0.09 0.55 -0.41 0.10 -0.02 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.03 -0.00 -0.03 -0.05 0.01 -0.06 -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 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.14 -0.01 0.04 -0.15 -0.31 0.03 0.29 0.56 -0.06 0.64 0.04 -0.19 -0.02 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.01 0.01 0.03 -0.01 -0.00 0.00 0.00 -0.01 -0.05 0.02 -0.04 -0.01 0.01 0.02 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 0.25 0.08 -0.08 -0.05 -0.34 0.17 0.07 0.54 -0.27 0.52 0.18 -0.17 -0.18 0.13 -0.03 0.08 0.00 -0.03 -0.02 -0.04 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.03 -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 0.02 0.00 -0.00 -0.03 -0.05 0.01 -0.02 -0.02 0.00 0.00 0.00 -0.00 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.00 -0.03 0.01 0.01 0.06 -0.03 0.04 0.01 -0.01 -0.03 0.02 -0.01 -0.19 -0.01 0.06 0.28 0.57 -0.06 0.15 0.28 -0.03 -0.05 -0.01 0.01 -0.33 0.55 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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.01 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.05 0.03 -0.00 -0.00 0.00 -0.01 -0.03 0.02 0.02 0.01 -0.01 0.04 -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.03 -0.01 -0.06 -0.05 0.02 0.08 -0.00 0.00 -0.00 -0.07 0.03 0.11 -0.06 -0.02 -0.11 0.14 0.04 -0.05 0.09 0.59 -0.29 0.05 0.34 -0.17 -0.22 -0.08 0.07 -0.41 0.31 -0.07 -0.04 -0.00 0.01 -0.01 -0.03 0.00 -0.01 -0.02 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.02 0.01 0.03 -0.02 0.01 0.03 -0.03 -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.03 0.00 0.01 -0.00 0.10 0.05 0.20 0.24 -0.10 -0.39 -0.00 -0.00 -0.00 0.25 -0.11 -0.38 0.32 0.12 0.58 0.03 0.01 -0.01 0.02 0.13 -0.06 0.01 0.07 -0.04 -0.05 -0.02 0.02 -0.09 0.07 -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 0.01 0.01 0.03 -0.01 0.01 0.02 0.03 -0.02 -0.05 -0.02 -0.01 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.00 0.01 -0.00 -0.16 -0.07 -0.30 0.15 -0.06 -0.24 0.00 0.00 0.00 -0.41 0.17 0.62 0.22 0.08 0.39 -0.01 -0.00 0.00 -0.00 -0.03 0.01 -0.00 -0.02 0.01 0.02 0.01 -0.01 0.02 -0.02 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 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.02 -0.05 0.00 0.01 0.01 -0.00 -0.05 -0.00 0.01 -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 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.05 -0.03 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.24 0.01 -0.07 0.28 0.58 -0.06 -0.06 -0.12 0.01 0.51 0.03 -0.15 0.22 -0.38 -0.09 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.01 0.01 -0.01 0.01 -0.00 -0.07 -0.00 0.02 0.00 0.01 -0.00 -0.01 -0.02 0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 0.04 0.31 -0.15 -0.01 -0.07 0.04 0.27 0.09 -0.09 0.13 -0.10 0.02 0.76 0.04 -0.23 -0.03 -0.06 0.01 0.12 0.23 -0.02 -0.11 -0.01 0.03 -0.09 0.15 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.02 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.05 -0.02 0.02 -0.02 0.02 -0.00 0.04 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 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.03 -0.01 0.01 0.06 0.45 -0.22 -0.02 -0.10 0.05 0.58 0.20 -0.19 0.22 -0.17 0.04 -0.44 -0.03 0.13 0.01 0.01 -0.00 -0.06 -0.12 0.01 0.04 0.00 -0.01 0.04 -0.06 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.04 -0.02 -0.06 0.00 -0.00 -0.00 -0.03 -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 0.01 0.00 -0.00 0.01 0.00 0.04 -0.00 -0.01 0.01 0.07 0.03 0.12 -0.43 0.17 0.67 -0.00 -0.00 0.00 -0.02 0.01 0.04 0.26 0.10 0.47 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 -0.02 -0.07 -0.01 0.00 0.01 0.02 -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 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.41 0.18 0.77 0.06 -0.02 -0.09 0.00 -0.00 -0.00 -0.22 0.09 0.34 -0.05 -0.02 -0.08 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.06 -0.02 0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.77 0.20 -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 8 8 8 8 7 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 1 298.150 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 8 8 8 8 7 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 15.99491 15.99491 15.99491 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 374.12666 0.99987 -0.01357 -0.00861 0.0136 0.9999 0.00309 0.00857 -0.0032 0.99996 asymmetric 1 0.01222 0.00645 0.00481 0.25465 0.13435 0.10032 938753.8 20.72 43.60 50.36 56.50 76.08 83.75 111.88 130.23 145.12 178.12 244.64 276.52 286.43 319.09 341.61 366.28 382.53 394.83 459.63 476.21 489.90 522.14 569.45 601.90 604.23 611.81 621.03 640.51 707.55 720.97 749.34 772.94 831.14 862.39 875.53 894.21 910.31 918.33 936.39 951.31 1011.23 1013.29 1020.90 1044.59 1079.01 1098.40 1101.04 1109.42 1112.39 1158.97 1204.65 1208.50 1218.07 1222.25 1229.98 1256.69 1280.16 1310.45 1319.03 1360.32 1402.23 1421.18 1426.49 1427.91 1442.51 1444.22 1453.37 1454.24 1459.10 1484.43 1499.36 1510.80 1558.63 1583.41 1584.68 1603.67 1645.48 1688.28 1689.24 1694.76 1702.44 1711.81 1723.22 1743.80 1759.57 1776.69 1791.55 1794.85 1822.14 1895.83 1913.51 1916.80 1925.61 1940.35 1962.94 2024.60 2040.88 2067.29 2112.63 2115.63 2128.07 2128.88 2175.62 2186.82 2199.41 2211.17 2329.25 2335.71 2345.58 2348.05 2353.31 2365.56 2485.31 2614.59 4394.56 4506.74 4524.02 4556.87 4562.00 4571.73 4572.79 4586.32 4589.05 4595.10 4595.38 4597.31 4600.10 4607.89 4611.79 4616.25 4621.30 5084.79 0.357552 0.380377 0.381321 0.303201 -1259.627204 -1259.604379 -1259.603435 -1259.681556 238.690 90.651 164.418 0.000 0.000 0.000 0.889 2.981 43.651 0.889 2.981 35.792 236.913 84.690 84.975 1 0.593 1.986 7.287 2 0.594 1.984 5.809 3 0.594 1.982 5.524 4 0.594 1.981 5.296 5 0.596 1.976 4.707 6 0.596 1.974 4.517 7 0.599 1.964 3.947 8 0.602 1.956 3.649 9 0.604 1.948 3.438 10 0.610 1.929 3.040 11 0.625 1.879 2.435 12 0.634 1.851 2.207 13 0.637 1.841 2.142 14 0.648 1.808 1.945 15 0.656 1.783 1.822 16 0.665 1.755 1.699 17 0.672 1.736 1.623 18 0.677 1.721 1.568 19 0.705 1.636 1.313 20 0.713 1.614 1.255 21 0.720 1.595 1.210 22 0.737 1.549 1.110 23 0.763 1.479 0.978 24 0.781 1.430 0.898 25 0.783 1.427 0.892 26 0.787 1.415 0.874 27 0.793 1.401 0.853 28 0.805 1.372 0.810 29 0.848 1.268 0.679 30 0.856 1.248 0.655 31 0.876 1.204 0.608 32 0.892 1.168 0.571 33 0.934 1.080 0.490 34 0.957 1.033 0.451 35 0.967 1.014 0.435 0.100009e+26 25.000039 57.564718 0.237338e+10 9.375368 21.587582 0.100000e+01 0.000000 0.000000 0.284434e+09 8.453982 19.466013 0.148146e+08 7.170690 16.511124 ater ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.3751 -0.2380 -3.1537 3.1848 -152.0937 -148.2937 -180.8270 -8.6126 -22.4119 0.1339 8.3111 12.1111 -20.4222 -8.6126 -22.4119 0.1339 7.8207 29.1967 -24.1955 41.1810 21.9116 -40.4716 -46.3902 -25.7156 -45.5640 -5.3905 -8138.3015 -4325.2599 -1176.2341 -22.6388 -502.9516 -99.8339 -93.2769 -60.0337 36.0737 -2050.5755 -1962.2068 -932.7752 -18.4494 -106.2343 21.6460 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1259.9847563 1.601E-9 4.634E-6 0.3575524 0.3803769 -1259.6043794 -1259.6034352 -1259.6815556 3.2278069,10.733672,-13.9614789,-3.7832795,-16.8696405,5.8633365 C01 [X(C22H18N2O4)] -0.1798068 0.0442399 -1.2392485 -0.9931931 -0.4642014 -0.4778072 -0.5496419 -1.3522713 -0.4167952 -0.5072771 -0.2540441 -1.1837579 -0.6212321 -0.0791503 -0.0633608 -0.1829171 -0.7483504 0.5524293 0.0917652 0.1375175 -1.9307253 -0.8683412 -0.1436647 -0.594368 -0.1945358 -0.7607831 -0.1999928 -0.7790742 -0.0701574 -2.11273 -1.9888209 1.0248437 0.2522129 1.0893153 -1.7448269 -0.4256037 0.4594719 -0.6063905 -0.5362183 -0.5063995 -0.0453208 -0.4582564 -0.0681272 -0.4266788 0.0857679 -0.2822079 -0.0451647 -1.8684957 -0.7279116 0.8233049 -0.1999204 0.3520094 -0.5894831 0.0451657 -0.4338416 0.4337031 -0.3902521 0.5513064 -0.2347038 0.2665765 -0.2126194 0.320182 0.1647811 0.5289579 0.2039469 0.9192371 0.1314987 0.1330564 -0.0348909 0.0415925 -0.2851025 0.0151538 0.0283494 -0.0222002 -0.1947376 0.7980268 0.3564116 0.5651421 0.7661474 0.8588793 -0.0632864 0.0310589 0.0481961 2.7648228 -0.0567081 -0.0118102 0.0035097 -0.0237887 0.0475511 -0.0571272 -0.0806493 0.0420123 -0.0684599 1.3123614 0.6182463 0.8859874 0.7532393 1.9933859 -0.033892 1.1757497 -0.3473679 3.3913978 0.00802 -0.0959041 -0.0030898 -0.1526196 -0.1216197 0.0167413 -0.074821 0.0641553 0.0340035 0.0184856 -0.0715764 -0.0002165 -0.0476459 -0.1443413 0.0248088 0.0289637 0.0321326 0.036637 -0.3692945 0.1477135 0.0226066 -0.0170649 -0.1599053 0.0369274 -0.2146436 0.088113 -0.07212 -0.276291 0.0895629 0.0556169 0.1652657 -0.2288508 0.0008954 0.2264895 -0.0475133 -0.0616456 1.8959036 -0.9211698 -0.1519618 -0.5924281 0.3171484 0.0430593 -0.0744698 0.0791072 0.3792962 0.6595846 -1.0033445 0.076892 -0.7455028 1.0450933 -0.1138865 0.0923865 -0.1133161 0.1323609 -0.037626 0.006884 -0.0218181 0.3152058 -0.4258613 -0.0448259 -0.1195856 0.0307435 -0.1943021 -0.3054158 0.3858892 -0.095686 -0.0294107 -0.210129 -0.0094043 0.0136022 -0.0936436 -0.2000098 0.5672045 -0.5420185 -0.234685 -0.9291123 1.8269626 0.4768689 -0.514587 0.6011916 0.3161449 0.202256 -0.0528218 -0.1030234 -0.118396 0.0970657 -0.0647271 -0.0691163 -0.0796316 -0.1281409 0.0829619 -0.1024051 -0.039944 0.0042384 0.2285543 -0.1283378 -0.0646289 -0.1098401 -0.1238727 -0.1839259 -0.0518924 0.0190444 -0.0942283 -0.1870506 0.0001902 0.0206049 0.0068748 -0.2293843 -0.0922014 -0.1482363 -0.0616843 0.290766 -0.4595626 -0.1121832 0.0513968 -0.0381742 -0.2138359 -0.2121215 0.3635264 0.0559938 0.1053548 -0.2433319 0.0026137 -0.0016424 -0.0630995 -0.2168888 0.1750659 -0.0046758 -0.1068439 -0.0932534 0.1366357 0.0988076 -0.1291544 0.0727144 -0.1293948 0.0694208 0.0007323 -0.0829378 0.0772886 0.192583 0.0431133 -0.0571941 0.0778661 -0.1567195 -0.2558692 -0.0359694 0.0010908 -0.0148635 -0.1061059 0.0437249 0.0100548 0.0368469 -0.2116548 -0.1476257 0.0453107 0.0030467 0.0378345 0.0519495 -0.0357488 0.0049304 -0.0302783 0.1169303 0.1159325 0.0226867 -0.0686177 0.0132757 0.0663273 0.0139752 -0.0626906 -0.0130873 -0.0501388 0.0691517 -0.0507552 0.0663582 -0.0426108 -0.0771099 0.0336179 0.0584647 0.0456491 0.0650143 0.1078104 0.02381 -0.0710423 0.0063191 0.1767149 -0.0218691 -0.0763801 -0.0250189 0.0148817 0.0797867 0.0527637 0.0773536 0.011947 0.1655266 -0.0544526 0.0771717 -0.0524295 0.0173711 0.4438817 -0.0470672 0.0415815 0.0440471 0.0560471 0.004491 0.1465843 -0.0408664 0.3153045 0.070558 0.0346169 0.0602609 0.0623888 0.1836246 -0.0486708 0.0777092 -0.0553026 0.0249246 0.065522 0.0118356 -0.0833039 0.0337293 0.20072 -0.0067878 -0.0917303 -0.0087151 0.0129146 -0.070966 0.0040883 0.076794 0.007452 0.1202979 0.0251979 0.0818131 0.0277068 0.1740058 0.1276338 -0.0183243 0.0309335 -0.0111716 0.0016879 0.0972117 0.031047 0.0903645 0.1722238 0.1014505 -0.0535045 0.0445167 -0.0587857 -0.0625266 0.0925705 0.0406758 0.0995616 0.1454724 -0.0474762 -0.0079153 0.0788242 -0.0193782 0.116445 0.0289968 0.0813708 0.0237253 0.1545953 0.0164577 0.1238361 0.0137368 0.1193313 -0.0179613 0.0369242 0.011118 0.0392329 0.1899313 -0.0065821 0.0417408 0.074496 0.0071919 0.1437551 -0.0251059 0.0799046 -0.0373745 0.1784177 0.067262 -0.0977432 0.0245502 -0.0989668 -0.0062276 -0.0152577 0.0257846 -0.0132749 0.2010869 0.0289603 -0.1118064 0.0256353 -0.101947 -0.0256396 -0.0102569 0.0203349 -0.0048061 0.180549 -0.0892832 0.0255974 0.085525 0.0298657 0.113139 -0.0206149 0.0901705 -0.0293061 0.1595775 0.0907813 0.0595241 0.0451725 0.0652102 -0.0765565 -0.0752071 0.0477635 -0.0803586 0.1763838 457.6909566|-29.3030676|415.8660909|-18.435433|8.5737354|353.0758203 -0.000000445 -0.000008712 0.000002943 0.000002462 0.000000633 -0.000002685 0.000002088 0.000004804 0.000002305 0.000006351 0.000000766 0.000005306 0.000000373 -0.000007214 0.000008179 0.000005364 0.000005154 0.000002026 0.000004142 0.000007226 0.000003430 0.000002707 -0.000001080 0.000006729 -0.000004259 -0.000001615 0.000001657 0.000003067 0.000000607 0.000006597 0.000003061 0.000023458 -0.000000780 0.000008799 -0.000001164 0.000000846 -0.000001974 -0.000001603 -0.000000576 -0.000003135 0.000001862 0.000001071 0.000006687 -0.000007143 -0.000000953 -0.000008094 0.000001724 0.000006094 -0.000003740 0.000003861 -0.000004424 -0.000002729 0.000004195 -0.000003555 -0.000001470 0.000002959 -0.000003278 0.000009327 -0.000010301 -0.000003214 -0.000003448 0.000003076 -0.000006791 -0.000004549 0.000000185 -0.000002938 -0.000004370 0.000002496 -0.000005656 -0.000001279 -0.000010653 0.000000008 -0.000007354 0.000001379 0.000002576 -0.000004583 0.000001720 -0.000001601 -0.000004379 -0.000011407 -0.000002216 0.000002451 0.000001420 -0.000003580 0.000004811 0.000001630 0.000005359 0.000003764 -0.000001036 0.000004533 0.000004505 0.000000029 0.000006157 0.000001489 0.000003920 0.000003324 0.000002702 -0.000003408 0.000003951 0.000001134 0.000004009 -0.000003655 0.000002561 0.000000363 0.000002997 0.000000628 -0.000005381 0.000003399 -0.000002641 0.000004308 -0.000005036 0.000000147 0.000000411 0.000000902 -0.000004046 0.000001649 -0.000007383 -0.000004363 0.000002525 -0.000002962 -0.000004963 0.000000243 -0.000006701 -0.000000883 -0.000000641 -0.000002254 0.000001230 -0.000005800 0.000000752 -0.000001976 -0.000002442 -0.000004935 -0.000001789 -0.000004062 -0.000001915 -0.000003380 -0.000002951 -0.000004054 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3551,-2.4841,1.0045;2.4145,-.6785,-2.0182;3.4546,-1.114,2.4189;-3.7152,-1.1675,-.4044;3.0823,-.5479,.1901;3.5816,.7435,.2275;1.8376,-2.4251,-.3675;.3279,-2.2091,-.3343;2.4653,-1.1346,-.9;2.3136,-3.6615,-1.1102;3.0086,-1.3541,1.3271;-.3233,-1.8532,.8512;-.3975,-2.2436,-1.5295;-1.6721,-1.5155,.8415;-1.7456,-1.8955,-1.5474;-2.3665,-1.5161,-.3637;2.6141,1.7812,.0929;3.0286,3.0123,-.4256;1.2944,1.6114,.5211;-4.0713,.1159,.0048;2.1237,4.067,-.5106;.3962,2.6736,.4236;.8021,3.9052,-.0889;-3.1873,1.1937,-.0495;-5.3871,.2877,.4304;-3.6339,2.4559,.3418;-5.8208,1.5562,.8109;-4.9473,2.645,.7722;3.4016,-3.7278,-1.0571;2.0153,-3.6053,-2.1571;1.8684,-4.5486,-.6579;.2175,-1.8243,1.7874;.0878,-2.5077,-2.4602;4.3727,.8363,-.4023;-2.1761,-1.2252,1.7552;-2.3086,-1.8946,-2.4726;4.0524,3.1361,-.7627;.9601,.6626,.9219;2.4536,5.0166,-.9167;-.6266,2.5311,.7529;.099,4.7266,-.1621;-2.1681,1.0551,-.3865;-6.0514,-.5678,.4614;-2.9456,3.2929,.3033;-6.8437,1.69,1.1445;-5.2868,3.6286,1.0747; Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C22H18N2O4)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3551,-2.4841,1.0045;2.4145,-.6785,-2.0182;3.4546,-1.114,2.4189;-3.7152,-1.1675,-.4044;3.0823,-.5479,.1901;3.5816,.7435,.2275;1.8376,-2.4251,-.3675;.3279,-2.2091,-.3343;2.4653,-1.1346,-.9;2.3136,-3.6615,-1.1102;3.0086,-1.3541,1.3271;-.3233,-1.8532,.8512;-.3975,-2.2436,-1.5295;-1.6721,-1.5155,.8415;-1.7456,-1.8955,-1.5474;-2.3665,-1.5161,-.3637;2.6141,1.7812,.0929;3.0286,3.0123,-.4256;1.2944,1.6114,.5211;-4.0713,.1159,.0048;2.1237,4.067,-.5106;.3962,2.6736,.4236;.8021,3.9052,-.0889;-3.1873,1.1937,-.0495;-5.3871,.2877,.4304;-3.6339,2.4559,.3418;-5.8208,1.5562,.8109;-4.9473,2.645,.7722;3.4016,-3.7278,-1.0571;2.0153,-3.6053,-2.1571;1.8684,-4.5486,-.6579;.2175,-1.8243,1.7874;.0878,-2.5077,-2.4602;4.3727,.8363,-.4023;-2.1761,-1.2252,1.7552;-2.3086,-1.8946,-2.4726;4.0524,3.1361,-.7627;.9601,.6626,.9219;2.4536,5.0166,-.9167;-.6266,2.5311,.7529;.099,4.7266,-.1621;-2.1681,1.0551,-.3865;-6.0514,-.5678,.4614;-2.9456,3.2929,.3033;-6.8437,1.69,1.1445;-5.2868,3.6286,1.0747; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction famoxadone CONF111 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 16 16 14 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 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 2 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 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 752 A 724 A 724 1152 752 98 98 2546.3090271781 46 46 46 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 -0.0530818473 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.521412 0.000000 2.255408 4.578198 0.000000 6.369217 6.357385 7.705888 0.000000 2.222866 2.310825 2.329529 6.851583 0.000000 3.539164 2.903096 2.875543 7.569351 1.385055 0.000000 1.467532 2.471478 3.478243 5.693571 2.320455 3.665537 0.000000 2.444845 3.087394 4.307638 4.175746 3.259082 4.429485 1.525415 0.000000 2.336813 1.208650 3.463359 6.200439 1.383266 2.458624 1.530754 2.458287 0.000000 2.420718 3.119706 4.499622 6.562320 3.460707 4.775110 1.518767 2.579556 2.540183 0.000000 1.344663 3.464129 1.203652 6.945675 1.395715 2.436640 2.321636 3.267592 2.302902 3.427462 0.000000 2.755924 4.136249 4.156524 3.681306 3.706631 4.730757 2.545928 1.398604 3.370375 3.750979 3.402485 0.000000 3.749088 3.255071 5.630720 3.664812 4.235798 5.276698 2.525647 1.398563 3.133986 3.088054 4.533508 2.413624 0.000000 4.145265 5.057538 5.378932 2.418191 4.895454 5.751669 3.821970 2.421543 4.505151 4.929532 4.708599 1.390527 2.788633 0.000000 4.865601 4.359891 6.586694 2.390735 5.305078 6.204326 3.809456 2.422703 4.327772 4.448222 5.581915 2.788895 1.392426 2.420039 0.000000 5.010234 5.128023 6.464550 1.393617 5.561855 6.390282 4.301272 2.782291 4.876435 5.202202 5.637085 2.400932 2.401087 1.390956 1.389419 0.000000 4.369339 3.247658 3.807756 7.000225 2.377671 1.425103 4.302158 4.618686 3.083820 5.582198 3.392452 4.734176 5.282191 5.458989 5.934295 5.990646 0.000000 5.719176 4.066421 5.029805 7.934091 3.613393 2.424794 5.566629 5.879201 4.211727 6.746778 4.705013 6.044663 6.370320 6.648497 6.938078 7.043940 1.398608 0.000000 4.258181 3.598163 3.961842 5.803042 2.822917 2.463896 4.168771 4.032673 3.306233 5.612796 3.518832 3.837895 4.682819 4.322068 5.081181 4.895573 1.397826 2.421990 0.000000 7.004095 6.840200 7.998732 1.393322 7.186725 7.681800 6.442840 4.987342 6.716324 7.501844 7.350756 4.317547 4.627917 3.019488 3.444330 2.388596 6.890268 7.679977 5.594063 0.000000 6.728001 4.987764 6.098862 7.842453 4.765188 3.703488 6.500022 6.530368 5.227297 7.754036 5.792060 6.549105 6.871560 6.884772 7.183112 7.166205 2.414445 1.392304 2.789615 7.365745 0.000000 5.547704 4.612276 5.261309 5.687175 4.200947 3.729685 5.357347 4.941722 4.531626 6.794311 4.885002 4.603567 5.350135 4.690547 5.417452 5.080017 2.413502 2.786606 1.394472 5.164871 2.407963 0.000000 6.665646 5.228086 6.206273 6.799844 5.010734 4.221642 6.420545 6.137611 5.368760 7.783477 5.876549 5.942183 6.428232 6.030835 6.501182 6.285389 2.797862 2.422406 2.424046 6.173903 1.396650 1.394333 0.000000 6.734594 6.225803 7.452056 2.445421 6.511408 6.789479 6.200526 4.900714 6.172175 7.413300 6.839200 4.277536 4.667786 3.229410 3.723574 2.848769 5.832818 6.487321 4.537105 1.395025 6.055950 3.905806 4.823748 0.000000 8.243466 8.233729 9.170386 2.368536 8.513994 8.982616 7.758431 6.283392 8.090348 8.790358 8.601625 5.513935 5.928326 4.149928 4.683866 3.606745 8.146468 8.887077 6.811998 1.393622 8.460535 6.256181 7.187633 2.427036 0.000000 7.791715 7.209519 8.204016 3.700345 7.358913 7.416801 7.366486 6.157574 7.185669 8.654648 7.720715 5.457852 6.005098 4.457576 5.105770 4.228577 6.289296 6.729572 5.003344 2.404266 6.039202 4.036826 4.686561 1.394885 2.789734 0.000000 9.121792 8.989901 9.785177 3.650922 9.169465 9.455520 8.711568 7.300438 8.878492 9.853077 9.311009 6.469062 7.023412 5.162144 5.838059 4.769812 8.468481 9.053258 7.121352 2.405268 8.435997 6.328549 7.084533 2.794176 1.393508 2.410869 0.000000 8.926708 8.545616 9.350600 4.175827 8.660716 8.755239 8.546334 7.253590 8.486914 9.799730 8.921678 6.451466 7.063735 5.295352 6.020523 5.026464 7.640856 8.073660 6.331655 2.784354 7.325718 5.354931 5.948504 2.424665 2.422176 1.394976 1.396463 0.000000 2.625281 3.346088 4.349464 7.591414 3.430699 4.655738 2.149064 3.503728 2.761585 1.091310 3.387241 4.585865 4.105974 5.851627 5.485539 6.216356 5.682638 6.779906 5.953038 8.470232 7.917781 7.225208 8.121468 8.285494 9.776425 9.470648 10.791797 10.661249 0.000000 3.371685 2.957138 5.405419 6.469434 3.999515 5.201195 2.151056 2.849436 2.808449 1.090001 4.265464 4.193892 2.840752 5.191952 4.176096 5.175069 5.868236 6.915025 5.908224 7.454359 7.847768 6.979045 7.884006 7.385085 8.754829 8.654273 9.841515 9.804320 1.773900 0.000000 2.694877 4.138319 4.876404 6.532397 4.265956 5.632529 2.143398 2.819687 3.474240 1.090722 3.930000 3.787565 3.347651 4.897254 4.570663 5.216953 6.417636 7.652860 6.298012 7.581267 8.620602 7.449644 8.539733 7.674850 8.787298 8.963088 9.927202 10.012265 1.784250 1.777329 0.000000 2.370161 4.541206 3.373788 4.549913 3.519686 4.510492 2.762171 2.159152 3.570860 4.020574 2.867649 1.081567 3.399409 2.135593 3.870358 3.376307 4.649231 6.016018 3.816764 5.033452 6.604708 4.703584 6.057232 4.906632 6.141189 5.936614 6.988754 6.905089 4.674724 4.686525 4.015789 0.000000 4.140661 2.992409 6.089641 4.526056 4.453354 5.477325 2.729082 2.160159 3.157854 2.847387 4.919868 3.400383 1.082350 3.870803 2.137621 3.376700 5.594255 6.577077 5.226020 5.500649 7.153500 5.937829 6.874488 5.498911 6.792993 6.807314 7.882091 7.896233 3.799779 2.238722 3.253272 4.304195 0.000000 4.132187 2.956491 3.550463 8.332475 1.982913 1.015456 4.130990 5.063569 2.787534 4.997135 3.106308 5.554912 5.788925 6.604396 6.797621 7.138118 2.056884 2.557776 3.306007 8.484446 3.937954 4.457658 4.718705 7.576661 9.810678 8.202627 10.290731 9.566270 4.712039 5.325872 5.944220 5.398136 5.811881 0.000000 4.762379 5.967485 5.670835 2.652529 5.528087 6.273854 4.696349 3.406492 5.348018 5.856884 5.203971 2.155141 3.871633 1.083062 3.397256 2.147211 5.894785 7.056988 4.649085 2.907565 7.185370 4.857070 6.212216 3.182813 3.788756 4.203967 4.680984 4.860449 6.729230 6.207972 5.764163 2.467665 4.953723 7.196672 0.000000 5.847004 4.898235 7.599405 2.604675 6.161655 6.996073 4.680153 3.409184 5.083376 5.132480 6.557590 3.871776 2.159513 3.395873 1.083032 2.143320 6.657849 7.533470 5.851155 3.645021 7.683445 6.047543 6.999706 4.022558 4.760969 5.348247 5.918176 6.172414 6.162007 4.660725 5.271034 4.953144 2.473637 7.508949 4.282436 0.000000 6.131109 4.337132 5.342596 8.887343 3.926888 2.631837 5.999074 6.528908 4.558099 7.025061 5.061437 6.829645 7.023587 7.548531 7.716784 7.937528 2.153200 1.084950 3.402827 8.700815 2.156382 3.871521 3.407342 7.529534 9.931818 7.794961 10.121898 9.142803 6.901019 7.179209 7.989675 6.768706 7.102955 2.349825 8.009681 8.288177 0.000000 3.443098 3.543783 3.408862 5.192956 2.550471 2.713153 3.459349 3.197605 2.969037 4.965829 2.903058 2.825136 4.037150 3.417449 4.467858 4.179217 2.162042 3.408123 1.082869 5.143376 3.872425 2.147177 3.400150 4.292542 6.377237 4.965568 6.840424 6.232886 5.399412 5.367436 5.520634 2.735976 4.717039 3.664690 3.754205 5.361540 4.303284 0.000000 7.743459 5.800800 7.050727 8.749823 5.708202 4.565172 7.487347 7.554377 6.151175 8.681349 6.777009 7.617767 7.823966 7.923404 8.112147 8.137265 3.393043 2.142218 3.873785 8.212154 1.084206 3.393910 2.155899 6.869173 9.254917 6.722975 9.133740 7.952964 8.796779 8.721692 9.586520 7.688346 8.037039 4.628465 8.217865 8.536009 2.473071 4.956611 0.000000 5.840004 5.218099 5.719993 4.955685 4.853099 4.602172 5.647265 4.956073 5.072347 7.103750 5.351488 4.395866 5.297107 4.180381 5.112503 4.544671 3.391159 3.870444 2.142320 4.273040 3.393985 1.083878 2.153556 2.998265 5.272556 3.036251 5.285307 4.322276 7.660017 7.287181 7.637826 4.555471 6.018600 5.403668 4.185163 5.728831 4.955334 2.457035 4.295637 0.000000 7.644934 6.166187 7.213484 7.024789 6.069940 5.305186 7.362894 6.941641 6.363716 8.727130 6.903457 6.670748 7.120384 6.565629 7.012349 6.714973 3.881503 3.404491 3.405878 6.219149 2.157702 2.155461 1.083644 4.826354 7.081851 4.398273 6.785521 5.538172 9.120588 8.779120 9.455414 6.835890 7.590539 5.784177 6.654055 7.414515 4.303397 4.293279 2.489458 2.486760 0.000000 5.909325 5.164120 6.647606 2.708074 5.519909 5.790824 5.306430 4.109511 5.150428 6.546386 5.961438 3.659708 3.914430 2.891655 3.198712 2.578923 4.860793 5.553196 3.622485 2.158026 5.244689 3.138778 4.127217 1.082326 3.408532 2.154346 3.876497 3.405004 7.372065 6.508108 6.911423 4.325283 4.699233 6.544546 3.128340 3.615512 6.570152 3.413434 6.110227 2.419355 4.320931 0.000000 8.639207 8.822211 9.720812 2.562634 9.137770 9.724640 8.146967 6.634968 8.643418 9.056121 9.135136 5.883494 6.224018 4.496720 4.933340 3.893390 8.985808 9.800460 7.662424 2.144001 9.447607 7.216612 8.202436 3.401017 1.083526 3.873104 2.164797 3.411340 10.082160 9.008600 8.934331 6.529612 7.070275 10.553647 4.138056 4.937313 10.830640 7.133455 10.267341 6.254315 8.139191 4.293266 0.000000 7.871607 7.063411 8.053506 4.581287 7.148425 7.007794 7.484957 6.433850 7.094213 8.832869 7.621966 5.801615 6.364299 5.003134 5.637698 4.889425 5.765410 6.025006 4.566415 3.383702 5.192222 3.400815 3.817553 2.142271 3.874034 1.084332 3.397184 2.155548 9.561758 8.845852 9.251278 6.196231 7.105278 7.751806 4.807599 5.917849 7.080421 4.749196 5.797470 2.482005 3.397339 2.467385 4.957346 0.000000 10.102452 10.066059 10.749000 4.511287 10.219798 10.508222 9.725474 8.295878 9.940569 10.843273 10.313413 7.426689 8.011002 6.091921 6.789098 5.709524 9.516515 10.083380 8.162267 3.385695 9.423504 7.341858 8.055152 3.878283 2.144243 3.396088 1.084122 2.155647 11.796791 10.836150 10.865901 7.913499 8.869023 11.354679 5.536889 6.819018 11.155802 7.874198 10.087281 6.285945 7.689539 4.960603 2.488319 4.297869 0.000000 9.786153 9.350271 10.035523 5.259343 9.395114 9.364307 9.459667 8.221305 9.310356 10.755696 9.680108 7.398444 8.072799 6.291408 7.066183 6.088140 8.173237 8.472099 6.905631 3.868022 7.590827 5.799363 6.205233 3.405982 3.403937 2.155123 2.156343 1.083674 11.582302 10.774760 11.002949 7.780725 8.890248 10.162942 5.805079 7.208244 9.530944 6.916916 8.112081 4.798552 5.634058 4.299355 4.309317 2.487794 2.487341 0.000000 C22H18N2O4 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 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.8238,-1.8195,1.2243;2.5918,-.2887,-1.9385;3.5659,-.1388,2.5324;-3.3422,-1.9422,-.3669;3.15,.1562,.2594;3.3639,1.5231,.1944;2.3472,-1.9813,-.1542;.8257,-2.0899,-.1584;2.704,-.6331,-.7854;3.0958,-3.1429,-.7843;3.2138,-.5543,1.459;.0785,-1.7878,.9847;.1604,-2.3729,-1.3555;-1.3103,-1.7469,.9296;-1.2297,-2.3224,-1.4197;-1.9522,-1.9912,-.28;2.2036,2.3169,-.0391;2.3641,3.5628,-.654;.9371,1.9045,.3851;-3.9735,-.7357,-.0716;1.2598,4.3904,-.8388;-.1618,2.7398,.1873;-.0099,3.9849,-.4218;-3.3359,.4978,-.205;-5.3082,-.8148,.3214;-4.0506,1.6629,.0731;-6.0114,.3582,.5885;-5.3867,1.6015,.4694;4.1712,-2.9716,-.7121;2.8242,-3.2349,-1.8359;2.8346,-4.0657,-.2647;.5724,-1.5701,1.9219;.7184,-2.6006,-2.2545;4.1362,1.7319,-.4309;-1.8916,-1.4991,1.8091;-1.752,-2.515,-2.3487;3.3484,3.8747,-.9873;.7988,.9411,.8599;1.3939,5.3532,-1.3191;-1.1408,2.4093,.5144;-.868,4.6292,-.5726;-2.3007,.5531,-.5163;-5.7774,-1.7869,.4158;-3.5538,2.6215,-.0269;-7.049,.2972,.8967;-5.9353,2.5111,.6839; 0.2546502 0.1343457 0.1003202 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= 724 RedAO= T EigKep= 1.02D-06 NBF= 724 NBsUse= 721 1.00D-06 EigRej= 9.10D-07 NBFU= 721 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= 744 744 744 744 744 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1259.98475631934 -1259.98475631946 -0.000000000124 -1259.98475632 2 1.254763390659e+03 -8.028144352194e+03 2.967124081086e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414432450 LenY= 1413866194 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. PT2041.500S Wed Oct 9 08:23:00 2024 -19.19898 -19.17138 -19.14596 -19.14154 -14.42255 -14.38085 -10.36221 -10.32039 -10.28114 -10.24458 -10.24403 -10.22660 -10.20269 -10.18877 -10.18825 -10.18437 -10.18424 -10.17990 -10.17989 -10.17917 -10.17841 -10.17779 -10.17767 -10.17702 -10.17696 -10.17541 -10.17302 -10.17150 -1.16300 -1.09569 -1.08580 -1.06858 -1.03744 -0.90030 -0.88109 -0.86151 -0.84875 -0.82184 -0.76905 -0.76319 -0.75565 -0.75429 -0.74864 -0.73377 -0.69699 -0.66068 -0.65437 -0.63383 -0.62925 -0.62376 -0.61612 -0.59965 -0.58966 -0.56342 -0.55477 -0.55211 -0.53150 -0.50707 -0.50230 -0.49939 -0.49041 -0.48618 -0.48014 -0.47932 -0.45867 -0.45204 -0.44785 -0.44641 -0.44388 -0.43859 -0.43494 -0.43252 -0.42772 -0.42328 -0.42031 -0.40779 -0.40536 -0.39969 -0.39196 -0.38482 -0.37161 -0.36817 -0.36680 -0.36534 -0.35112 -0.34788 -0.34293 -0.33692 -0.33482 -0.33031 -0.32059 -0.30349 -0.27268 -0.26476 -0.26339 -0.26125 -0.23610 -0.23196 -0.05284 -0.03281 -0.02314 -0.01963 -0.01582 -0.01263 -0.00748 0.00275 0.01153 0.01550 0.02140 0.02331 0.02590 0.02873 0.03637 0.03894 0.04236 0.04529 0.04679 0.04902 0.05154 0.06072 0.06385 0.06443 0.06588 0.06976 0.07193 0.07485 0.08130 0.08589 0.08636 0.09357 0.09588 0.09768 0.10142 0.10597 0.10791 0.10915 0.11168 0.11811 0.12073 0.12328 0.12448 0.12598 0.12725 0.12999 0.13227 0.13535 0.13798 0.13946 0.14295 0.14463 0.14848 0.15110 0.15381 0.15586 0.15966 0.16189 0.16587 0.16762 0.16937 0.17402 0.18034 0.18344 0.18365 0.18524 0.19169 0.19210 0.19295 0.19501 0.19543 0.19744 0.20078 0.20280 0.20485 0.20832 0.20887 0.21179 0.21331 0.21705 0.21788 0.22060 0.22274 0.22505 0.22623 0.22785 0.23127 0.23341 0.23544 0.23616 0.23810 0.24220 0.24365 0.24687 0.25008 0.25179 0.25351 0.25585 0.25768 0.26283 0.26415 0.26444 0.26948 0.27036 0.27295 0.27452 0.27874 0.28043 0.28243 0.28417 0.28508 0.29158 0.29389 0.29623 0.29923 0.30349 0.30388 0.30631 0.30974 0.31214 0.31281 0.31549 0.32065 0.32270 0.32463 0.32879 0.33068 0.33240 0.33569 0.33784 0.34511 0.34633 0.34859 0.35028 0.35280 0.35356 0.35812 0.36311 0.36885 0.37319 0.37757 0.37933 0.38401 0.38796 0.39211 0.39384 0.39809 0.40145 0.40442 0.41003 0.41409 0.42097 0.42513 0.42807 0.43518 0.44240 0.44571 0.46404 0.47050 0.47810 0.48383 0.49122 0.49737 0.49820 0.50965 0.51805 0.52217 0.52906 0.53360 0.53693 0.53974 0.54533 0.54995 0.55282 0.55701 0.56072 0.56633 0.56667 0.57196 0.57793 0.58368 0.58652 0.59460 0.60124 0.60781 0.60925 0.61010 0.61961 0.62550 0.63020 0.63371 0.63674 0.63747 0.64436 0.64935 0.65583 0.66038 0.66332 0.67355 0.67734 0.67974 0.68528 0.69131 0.69157 0.69783 0.70106 0.70565 0.70843 0.70947 0.71733 0.72010 0.72204 0.72451 0.72911 0.73558 0.73791 0.74008 0.74434 0.74496 0.75454 0.75850 0.76145 0.76413 0.77101 0.77554 0.78169 0.79254 0.80033 0.80191 0.80514 0.81690 0.81873 0.82452 0.82910 0.83256 0.83609 0.84015 0.84319 0.84906 0.85295 0.85648 0.86220 0.86594 0.87066 0.87767 0.88476 0.88591 0.89032 0.89897 0.90301 0.90400 0.91352 0.92603 0.92908 0.93724 0.94488 0.94733 0.95587 0.96954 0.97576 0.98077 0.98301 0.99320 0.99974 1.00889 1.01448 1.01690 1.02493 1.03130 1.03719 1.03906 1.04531 1.05294 1.05778 1.06879 1.07199 1.07562 1.08568 1.08803 1.09494 1.10043 1.10479 1.10895 1.12059 1.13191 1.13681 1.14160 1.14946 1.15194 1.15598 1.16442 1.16726 1.17965 1.18250 1.20217 1.21106 1.21784 1.22722 1.24498 1.25972 1.26306 1.28648 1.29193 1.29839 1.31316 1.31373 1.32334 1.32873 1.34464 1.34950 1.36462 1.38203 1.39100 1.40524 1.42035 1.42794 1.43529 1.45313 1.46802 1.47617 1.48540 1.50294 1.50590 1.51068 1.52033 1.52369 1.53433 1.53610 1.54224 1.54422 1.55115 1.56031 1.56410 1.56804 1.57088 1.57496 1.57838 1.58342 1.58508 1.59687 1.60016 1.60763 1.60935 1.61346 1.61985 1.63979 1.64370 1.65240 1.66048 1.66470 1.66827 1.68113 1.68409 1.69049 1.69838 1.71041 1.72038 1.72431 1.73614 1.74372 1.75359 1.75782 1.76285 1.77285 1.78170 1.78519 1.79172 1.79802 1.80396 1.80792 1.81400 1.82124 1.82797 1.84206 1.84609 1.84946 1.86682 1.88005 1.88863 1.89797 1.90769 1.90990 1.91958 1.92403 1.92674 1.93042 1.94205 1.94330 1.95074 1.95548 1.95873 1.96886 1.97508 1.97977 1.98941 1.99207 1.99809 1.99944 2.00612 2.01441 2.02110 2.02819 2.02971 2.04164 2.04427 2.05874 2.06409 2.06645 2.08015 2.08415 2.09414 2.09817 2.10712 2.11300 2.12596 2.13058 2.13800 2.14297 2.16403 2.18215 2.21110 2.23086 2.25371 2.27308 2.28175 2.29598 2.31377 2.33633 2.34175 2.34767 2.35310 2.36284 2.39676 2.40587 2.40692 2.41272 2.42349 2.43426 2.43523 2.45444 2.46049 2.48192 2.49415 2.49925 2.51527 2.52918 2.55148 2.56367 2.59430 2.61446 2.62802 2.63349 2.63580 2.64374 2.64987 2.66210 2.66461 2.67517 2.68056 2.69082 2.69787 2.70134 2.70593 2.70879 2.71758 2.72500 2.73034 2.73386 2.75234 2.75800 2.76095 2.76528 2.77070 2.77761 2.78288 2.78475 2.79728 2.80162 2.80564 2.81521 2.81636 2.82446 2.82623 2.83597 2.83958 2.84838 2.85476 2.86367 2.87533 2.87654 2.88123 2.88834 2.89376 2.89947 2.91202 2.91832 2.92861 2.93227 2.93687 2.94590 2.94849 2.95952 2.96029 2.97385 2.98466 3.00153 3.02338 3.03136 3.03921 3.06817 3.08828 3.09780 3.10154 3.10693 3.11253 3.12508 3.14905 3.15278 3.17054 3.20074 3.20700 3.22068 3.22888 3.23511 3.29549 3.30725 3.33577 3.34593 3.35980 3.36402 3.37508 3.38197 3.38999 3.41944 3.43476 3.46203 3.48507 3.49567 3.50480 3.52015 3.52586 3.53929 3.54309 3.55954 3.58026 3.59331 3.62783 3.64129 3.65660 3.68578 3.68902 3.78106 3.82884 3.83286 3.84303 3.85825 3.96454 3.97487 3.99952 4.01036 4.01730 4.02178 4.03385 4.05275 4.09383 4.11338 4.11978 4.15462 4.16311 4.16687 4.17257 4.19113 4.20542 4.21822 4.23339 4.34406 4.35360 4.83326 4.84427 4.84957 4.85374 4.89613 5.08619 5.12048 5.14116 5.15300 5.15920 5.21425 5.31022 5.43006 5.44107 5.71669 5.81478 5.85824 5.92558 23.59841 23.62171 23.62874 23.77904 23.86491 23.89591 23.93879 23.95907 23.96728 23.96822 23.97516 23.97828 23.98076 24.06564 24.07361 24.07402 24.09623 24.09949 24.10712 24.18882 24.19421 24.19634 35.49582 35.57022 49.92864 49.98185 49.99347 50.06681 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 O O O O N 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 -0.017091 -0.345059 -0.399020 -0.034955 -0.013628 -0.108516 0.347960 0.539525 0.168557 -0.396565 0.332046 -0.325611 -0.265238 -0.231231 -0.443028 -0.319977 -0.251714 -0.339610 0.256795 -0.677034 -0.244965 -0.155460 -0.293719 1.218067 -0.437466 -0.299081 -0.269889 -0.406180 0.193944 0.205395 0.202058 0.184416 0.174834 0.323257 0.178559 0.173997 0.160392 0.217302 0.167808 0.177897 0.165526 0.204775 0.164320 0.184553 0.169927 0.163126 -0.00000 -0.3751 -0.2380 -3.1537 3.1848 -152.0937 -148.2937 -180.8270 -8.6126 -22.4119 0.1339 8.3111 12.1111 -20.4222 -8.6126 -22.4119 0.1339 7.8207 29.1967 -24.1955 41.1810 21.9116 -40.4716 -46.3902 -25.7156 -45.5640 -5.3905 -8138.3014 -4325.2599 -1176.2341 -22.6388 -502.9516 -99.8339 -93.2769 -60.0337 36.0737 -2050.5755 -1962.2068 -932.7752 -18.4494 -106.2343 21.6460 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS10 APULGAR 2024-10-09T00:00:00.000 0 Wavefunction famoxadone CONF111 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1259.9847563 RMSD=2.748e-10 Dipole=-0.1798067,0.04424,-1.2392485 Quadrupole=3.2278069,10.733672,-13.9614789,-3.7832796,-16.8696405,5.8633366 PG=C01 [X(C22H18N2O4)] 0 2.3550857618 -2.4841124651 1.0044873619 0 2.4144654774 -0.6785462722 -2.0182176112 0 3.4546203619 -1.1139963832 2.4189387614 0 -3.7152097629 -1.1675268819 -0.4044250582 0 3.0823425825 -0.5478679158 0.1901241558 0 3.5816081782 0.7435307884 0.2275431373 0 1.8376072165 -2.4251483663 -0.3675150008 0 0.3279295055 -2.2091407555 -0.3342783954 0 2.4653005931 -1.1345602102 -0.9000486077 0 2.3135622056 -3.6614827363 -1.1102115556 0 3.0085965541 -1.3540724235 1.3270574708 0 -0.3232679478 -1.8532099142 0.8511957951 0 -0.3975107277 -2.2436081708 -1.5294883393 0 -1.6721200133 -1.5154675819 0.8415151845 0 -1.7455918298 -1.8954593058 -1.5473753329 0 -2.3665085938 -1.5161191503 -0.3637159661 0 2.6141400761 1.7812217477 0.0929315535 0 3.0285729587 3.0122758815 -0.4255825125 0 1.2943913378 1.611420998 0.521124275 0 -4.0712657331 0.1158758777 0.0047789203 0 2.1236713763 4.0669998574 -0.5105620975 0 0.3962064445 2.6736393842 0.4236202312 0 0.8020561981 3.9052081872 -0.0889125721 0 -3.1872651036 1.1936949848 -0.0494739057 0 -5.3871420315 0.2877158033 0.430364807 0 -3.633911567 2.4558842024 0.3417911981 0 -5.8208466977 1.5561547636 0.8109281124 0 -4.9472915087 2.6449652274 0.7721857089 0 3.4015571383 -3.7278419699 -1.0570987539 0 2.0153058557 -3.6053275548 -2.1571076726 0 1.8683875829 -4.5485615949 -0.6579007304 0 0.2174822143 -1.8243347038 1.7874340531 0 0.0878073333 -2.5077084207 -2.4601863573 0 4.3727345451 0.8362926723 -0.4022708376 0 -2.176134245 -1.2252292574 1.7551647946 0 -2.3086140038 -1.8946064225 -2.4725580025 0 4.0523665569 3.1361089373 -0.7626709494 0 0.9600603711 0.6626327512 0.9219085466 0 2.4535637257 5.0165807 -0.9167269636 0 -0.6265593709 2.5310784353 0.7528885098 0 0.0990204684 4.7265882179 -0.162121676 0 -2.1681348344 1.0550621385 -0.3864974116 0 -6.0513769576 -0.567769445 0.4614304752 0 -2.9455955646 3.2928527875 0.3033132955 0 -6.8436571001 1.6899820105 1.1445003648 0 -5.2868124829 3.6285986945 1.074739941 Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C22H18N2O4)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3551,-2.4841,1.0045;2.4145,-.6785,-2.0182;3.4546,-1.114,2.4189;-3.7152,-1.1675,-.4044;3.0823,-.5479,.1901;3.5816,.7435,.2275;1.8376,-2.4251,-.3675;.3279,-2.2091,-.3343;2.4653,-1.1346,-.9;2.3136,-3.6615,-1.1102;3.0086,-1.3541,1.3271;-.3233,-1.8532,.8512;-.3975,-2.2436,-1.5295;-1.6721,-1.5155,.8415;-1.7456,-1.8955,-1.5474;-2.3665,-1.5161,-.3637;2.6141,1.7812,.0929;3.0286,3.0123,-.4256;1.2944,1.6114,.5211;-4.0713,.1159,.0048;2.1237,4.067,-.5106;.3962,2.6736,.4236;.8021,3.9052,-.0889;-3.1873,1.1937,-.0495;-5.3871,.2877,.4304;-3.6339,2.4559,.3418;-5.8208,1.5562,.8109;-4.9473,2.645,.7722;3.4016,-3.7278,-1.0571;2.0153,-3.6053,-2.1571;1.8684,-4.5486,-.6579;.2175,-1.8243,1.7874;.0878,-2.5077,-2.4602;4.3727,.8363,-.4023;-2.1761,-1.2252,1.7552;-2.3086,-1.8946,-2.4726;4.0524,3.1361,-.7627;.9601,.6626,.9219;2.4536,5.0166,-.9167;-.6266,2.5311,.7529;.099,4.7266,-.1621;-2.1681,1.0551,-.3865;-6.0514,-.5678,.4614;-2.9456,3.2929,.3033;-6.8437,1.69,1.1445;-5.2868,3.6286,1.0747; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum famoxadone CONF111 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 16 16 14 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 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 2 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 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 752 A 724 A 724 1152 752 98 98 2546.3090271781 46 46 46 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 -0.0530818473 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.521412 0.000000 2.255408 4.578198 0.000000 6.369217 6.357385 7.705888 0.000000 2.222866 2.310825 2.329529 6.851583 0.000000 3.539164 2.903096 2.875543 7.569351 1.385055 0.000000 1.467532 2.471478 3.478243 5.693571 2.320455 3.665537 0.000000 2.444845 3.087394 4.307638 4.175746 3.259082 4.429485 1.525415 0.000000 2.336813 1.208650 3.463359 6.200439 1.383266 2.458624 1.530754 2.458287 0.000000 2.420718 3.119706 4.499622 6.562320 3.460707 4.775110 1.518767 2.579556 2.540183 0.000000 1.344663 3.464129 1.203652 6.945675 1.395715 2.436640 2.321636 3.267592 2.302902 3.427462 0.000000 2.755924 4.136249 4.156524 3.681306 3.706631 4.730757 2.545928 1.398604 3.370375 3.750979 3.402485 0.000000 3.749088 3.255071 5.630720 3.664812 4.235798 5.276698 2.525647 1.398563 3.133986 3.088054 4.533508 2.413624 0.000000 4.145265 5.057538 5.378932 2.418191 4.895454 5.751669 3.821970 2.421543 4.505151 4.929532 4.708599 1.390527 2.788633 0.000000 4.865601 4.359891 6.586694 2.390735 5.305078 6.204326 3.809456 2.422703 4.327772 4.448222 5.581915 2.788895 1.392426 2.420039 0.000000 5.010234 5.128023 6.464550 1.393617 5.561855 6.390282 4.301272 2.782291 4.876435 5.202202 5.637085 2.400932 2.401087 1.390956 1.389419 0.000000 4.369339 3.247658 3.807756 7.000225 2.377671 1.425103 4.302158 4.618686 3.083820 5.582198 3.392452 4.734176 5.282191 5.458989 5.934295 5.990646 0.000000 5.719176 4.066421 5.029805 7.934091 3.613393 2.424794 5.566629 5.879201 4.211727 6.746778 4.705013 6.044663 6.370320 6.648497 6.938078 7.043940 1.398608 0.000000 4.258181 3.598163 3.961842 5.803042 2.822917 2.463896 4.168771 4.032673 3.306233 5.612796 3.518832 3.837895 4.682819 4.322068 5.081181 4.895573 1.397826 2.421990 0.000000 7.004095 6.840200 7.998732 1.393322 7.186725 7.681800 6.442840 4.987342 6.716324 7.501844 7.350756 4.317547 4.627917 3.019488 3.444330 2.388596 6.890268 7.679977 5.594063 0.000000 6.728001 4.987764 6.098862 7.842453 4.765188 3.703488 6.500022 6.530368 5.227297 7.754036 5.792060 6.549105 6.871560 6.884772 7.183112 7.166205 2.414445 1.392304 2.789615 7.365745 0.000000 5.547704 4.612276 5.261309 5.687175 4.200947 3.729685 5.357347 4.941722 4.531626 6.794311 4.885002 4.603567 5.350135 4.690547 5.417452 5.080017 2.413502 2.786606 1.394472 5.164871 2.407963 0.000000 6.665646 5.228086 6.206273 6.799844 5.010734 4.221642 6.420545 6.137611 5.368760 7.783477 5.876549 5.942183 6.428232 6.030835 6.501182 6.285389 2.797862 2.422406 2.424046 6.173903 1.396650 1.394333 0.000000 6.734594 6.225803 7.452056 2.445421 6.511408 6.789479 6.200526 4.900714 6.172175 7.413300 6.839200 4.277536 4.667786 3.229410 3.723574 2.848769 5.832818 6.487321 4.537105 1.395025 6.055950 3.905806 4.823748 0.000000 8.243466 8.233729 9.170386 2.368536 8.513994 8.982616 7.758431 6.283392 8.090348 8.790358 8.601625 5.513935 5.928326 4.149928 4.683866 3.606745 8.146468 8.887077 6.811998 1.393622 8.460535 6.256181 7.187633 2.427036 0.000000 7.791715 7.209519 8.204016 3.700345 7.358913 7.416801 7.366486 6.157574 7.185669 8.654648 7.720715 5.457852 6.005098 4.457576 5.105770 4.228577 6.289296 6.729572 5.003344 2.404266 6.039202 4.036826 4.686561 1.394885 2.789734 0.000000 9.121792 8.989901 9.785177 3.650922 9.169465 9.455520 8.711568 7.300438 8.878492 9.853077 9.311009 6.469062 7.023412 5.162144 5.838059 4.769812 8.468481 9.053258 7.121352 2.405268 8.435997 6.328549 7.084533 2.794176 1.393508 2.410869 0.000000 8.926708 8.545616 9.350600 4.175827 8.660716 8.755239 8.546334 7.253590 8.486914 9.799730 8.921678 6.451466 7.063735 5.295352 6.020523 5.026464 7.640856 8.073660 6.331655 2.784354 7.325718 5.354931 5.948504 2.424665 2.422176 1.394976 1.396463 0.000000 2.625281 3.346088 4.349464 7.591414 3.430699 4.655738 2.149064 3.503728 2.761585 1.091310 3.387241 4.585865 4.105974 5.851627 5.485539 6.216356 5.682638 6.779906 5.953038 8.470232 7.917781 7.225208 8.121468 8.285494 9.776425 9.470648 10.791797 10.661249 0.000000 3.371685 2.957138 5.405419 6.469434 3.999515 5.201195 2.151056 2.849436 2.808449 1.090001 4.265464 4.193892 2.840752 5.191952 4.176096 5.175069 5.868236 6.915025 5.908224 7.454359 7.847768 6.979045 7.884006 7.385085 8.754829 8.654273 9.841515 9.804320 1.773900 0.000000 2.694877 4.138319 4.876404 6.532397 4.265956 5.632529 2.143398 2.819687 3.474240 1.090722 3.930000 3.787565 3.347651 4.897254 4.570663 5.216953 6.417636 7.652860 6.298012 7.581267 8.620602 7.449644 8.539733 7.674850 8.787298 8.963088 9.927202 10.012265 1.784250 1.777329 0.000000 2.370161 4.541206 3.373788 4.549913 3.519686 4.510492 2.762171 2.159152 3.570860 4.020574 2.867649 1.081567 3.399409 2.135593 3.870358 3.376307 4.649231 6.016018 3.816764 5.033452 6.604708 4.703584 6.057232 4.906632 6.141189 5.936614 6.988754 6.905089 4.674724 4.686525 4.015789 0.000000 4.140661 2.992409 6.089641 4.526056 4.453354 5.477325 2.729082 2.160159 3.157854 2.847387 4.919868 3.400383 1.082350 3.870803 2.137621 3.376700 5.594255 6.577077 5.226020 5.500649 7.153500 5.937829 6.874488 5.498911 6.792993 6.807314 7.882091 7.896233 3.799779 2.238722 3.253272 4.304195 0.000000 4.132187 2.956491 3.550463 8.332475 1.982913 1.015456 4.130990 5.063569 2.787534 4.997135 3.106308 5.554912 5.788925 6.604396 6.797621 7.138118 2.056884 2.557776 3.306007 8.484446 3.937954 4.457658 4.718705 7.576661 9.810678 8.202627 10.290731 9.566270 4.712039 5.325872 5.944220 5.398136 5.811881 0.000000 4.762379 5.967485 5.670835 2.652529 5.528087 6.273854 4.696349 3.406492 5.348018 5.856884 5.203971 2.155141 3.871633 1.083062 3.397256 2.147211 5.894785 7.056988 4.649085 2.907565 7.185370 4.857070 6.212216 3.182813 3.788756 4.203967 4.680984 4.860449 6.729230 6.207972 5.764163 2.467665 4.953723 7.196672 0.000000 5.847004 4.898235 7.599405 2.604675 6.161655 6.996073 4.680153 3.409184 5.083376 5.132480 6.557590 3.871776 2.159513 3.395873 1.083032 2.143320 6.657849 7.533470 5.851155 3.645021 7.683445 6.047543 6.999706 4.022558 4.760969 5.348247 5.918176 6.172414 6.162007 4.660725 5.271034 4.953144 2.473637 7.508949 4.282436 0.000000 6.131109 4.337132 5.342596 8.887343 3.926888 2.631837 5.999074 6.528908 4.558099 7.025061 5.061437 6.829645 7.023587 7.548531 7.716784 7.937528 2.153200 1.084950 3.402827 8.700815 2.156382 3.871521 3.407342 7.529534 9.931818 7.794961 10.121898 9.142803 6.901019 7.179209 7.989675 6.768706 7.102955 2.349825 8.009681 8.288177 0.000000 3.443098 3.543783 3.408862 5.192956 2.550471 2.713153 3.459349 3.197605 2.969037 4.965829 2.903058 2.825136 4.037150 3.417449 4.467858 4.179217 2.162042 3.408123 1.082869 5.143376 3.872425 2.147177 3.400150 4.292542 6.377237 4.965568 6.840424 6.232886 5.399412 5.367436 5.520634 2.735976 4.717039 3.664690 3.754205 5.361540 4.303284 0.000000 7.743459 5.800800 7.050727 8.749823 5.708202 4.565172 7.487347 7.554377 6.151175 8.681349 6.777009 7.617767 7.823966 7.923404 8.112147 8.137265 3.393043 2.142218 3.873785 8.212154 1.084206 3.393910 2.155899 6.869173 9.254917 6.722975 9.133740 7.952964 8.796779 8.721692 9.586520 7.688346 8.037039 4.628465 8.217865 8.536009 2.473071 4.956611 0.000000 5.840004 5.218099 5.719993 4.955685 4.853099 4.602172 5.647265 4.956073 5.072347 7.103750 5.351488 4.395866 5.297107 4.180381 5.112503 4.544671 3.391159 3.870444 2.142320 4.273040 3.393985 1.083878 2.153556 2.998265 5.272556 3.036251 5.285307 4.322276 7.660017 7.287181 7.637826 4.555471 6.018600 5.403668 4.185163 5.728831 4.955334 2.457035 4.295637 0.000000 7.644934 6.166187 7.213484 7.024789 6.069940 5.305186 7.362894 6.941641 6.363716 8.727130 6.903457 6.670748 7.120384 6.565629 7.012349 6.714973 3.881503 3.404491 3.405878 6.219149 2.157702 2.155461 1.083644 4.826354 7.081851 4.398273 6.785521 5.538172 9.120588 8.779120 9.455414 6.835890 7.590539 5.784177 6.654055 7.414515 4.303397 4.293279 2.489458 2.486760 0.000000 5.909325 5.164120 6.647606 2.708074 5.519909 5.790824 5.306430 4.109511 5.150428 6.546386 5.961438 3.659708 3.914430 2.891655 3.198712 2.578923 4.860793 5.553196 3.622485 2.158026 5.244689 3.138778 4.127217 1.082326 3.408532 2.154346 3.876497 3.405004 7.372065 6.508108 6.911423 4.325283 4.699233 6.544546 3.128340 3.615512 6.570152 3.413434 6.110227 2.419355 4.320931 0.000000 8.639207 8.822211 9.720812 2.562634 9.137770 9.724640 8.146967 6.634968 8.643418 9.056121 9.135136 5.883494 6.224018 4.496720 4.933340 3.893390 8.985808 9.800460 7.662424 2.144001 9.447607 7.216612 8.202436 3.401017 1.083526 3.873104 2.164797 3.411340 10.082160 9.008600 8.934331 6.529612 7.070275 10.553647 4.138056 4.937313 10.830640 7.133455 10.267341 6.254315 8.139191 4.293266 0.000000 7.871607 7.063411 8.053506 4.581287 7.148425 7.007794 7.484957 6.433850 7.094213 8.832869 7.621966 5.801615 6.364299 5.003134 5.637698 4.889425 5.765410 6.025006 4.566415 3.383702 5.192222 3.400815 3.817553 2.142271 3.874034 1.084332 3.397184 2.155548 9.561758 8.845852 9.251278 6.196231 7.105278 7.751806 4.807599 5.917849 7.080421 4.749196 5.797470 2.482005 3.397339 2.467385 4.957346 0.000000 10.102452 10.066059 10.749000 4.511287 10.219798 10.508222 9.725474 8.295878 9.940569 10.843273 10.313413 7.426689 8.011002 6.091921 6.789098 5.709524 9.516515 10.083380 8.162267 3.385695 9.423504 7.341858 8.055152 3.878283 2.144243 3.396088 1.084122 2.155647 11.796791 10.836150 10.865901 7.913499 8.869023 11.354679 5.536889 6.819018 11.155802 7.874198 10.087281 6.285945 7.689539 4.960603 2.488319 4.297869 0.000000 9.786153 9.350271 10.035523 5.259343 9.395114 9.364307 9.459667 8.221305 9.310356 10.755696 9.680108 7.398444 8.072799 6.291408 7.066183 6.088140 8.173237 8.472099 6.905631 3.868022 7.590827 5.799363 6.205233 3.405982 3.403937 2.155123 2.156343 1.083674 11.582302 10.774760 11.002949 7.780725 8.890248 10.162942 5.805079 7.208244 9.530944 6.916916 8.112081 4.798552 5.634058 4.299355 4.309317 2.487794 2.487341 0.000000 C22H18N2O4 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 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.8238,-1.8195,1.2243;2.5918,-.2887,-1.9385;3.5659,-.1388,2.5324;-3.3422,-1.9422,-.3669;3.15,.1562,.2594;3.3639,1.5231,.1944;2.3472,-1.9813,-.1542;.8257,-2.0899,-.1584;2.704,-.6331,-.7854;3.0958,-3.1429,-.7843;3.2138,-.5543,1.459;.0785,-1.7878,.9847;.1604,-2.3729,-1.3555;-1.3103,-1.7469,.9296;-1.2297,-2.3224,-1.4197;-1.9522,-1.9912,-.28;2.2036,2.3169,-.0391;2.3641,3.5628,-.654;.9371,1.9045,.3851;-3.9735,-.7357,-.0716;1.2598,4.3904,-.8388;-.1618,2.7398,.1873;-.0099,3.9849,-.4218;-3.3359,.4978,-.205;-5.3082,-.8148,.3214;-4.0506,1.6629,.0731;-6.0114,.3582,.5885;-5.3867,1.6015,.4694;4.1712,-2.9716,-.7121;2.8242,-3.2349,-1.8359;2.8346,-4.0657,-.2647;.5724,-1.5701,1.9219;.7184,-2.6006,-2.2545;4.1362,1.7319,-.4309;-1.8916,-1.4991,1.8091;-1.752,-2.515,-2.3487;3.3484,3.8747,-.9873;.7988,.9411,.8599;1.3939,5.3532,-1.3191;-1.1408,2.4093,.5144;-.868,4.6292,-.5726;-2.3007,.5531,-.5163;-5.7774,-1.7869,.4158;-3.5538,2.6215,-.0269;-7.049,.2972,.8967;-5.9353,2.5111,.6839; 0.2546502 0.1343457 0.1003202 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= 724 RedAO= T EigKep= 1.02D-06 NBF= 724 NBsUse= 721 1.00D-06 EigRej= 9.10D-07 NBFU= 721 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= 744 744 744 744 744 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1259.98475631934 -1259.98475632 1 1.254763390655e+03 -8.028144351985e+03 2.967124080882e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414432450 LenY= 1413866194 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 4.1045 302.07 0.0089 0.000 97 99 0.15717 98 99 0.67666 -1259.83391823 2 Singlet-A 4.4275 280.03 0.0791 0.000 97 99 0.67681 98 99 -0.15113 3 Singlet-A 4.7355 261.82 0.0297 0.000 93 99 0.14332 95 99 -0.10485 97 100 0.49852 98 100 -0.42260 4 Singlet-A 4.9371 251.13 0.0065 0.000 95 104 -0.12351 97 100 0.34066 97 102 0.12111 98 100 0.40296 98 101 0.22568 98 102 0.31466 5 Singlet-A 4.9431 250.82 0.0376 0.000 94 104 -0.12763 95 104 0.10813 97 100 0.28289 97 101 -0.10749 97 102 -0.12158 98 100 0.34839 98 101 -0.33552 98 102 -0.32171 6 Singlet-A 4.9663 249.65 0.0239 0.000 92 99 -0.12587 94 99 0.23008 95 99 0.19993 96 99 0.49682 97 101 -0.16058 98 101 0.16433 98 102 -0.15065 7 Singlet-A 5.0944 243.37 0.0304 0.000 93 99 0.34999 95 99 -0.14998 96 99 0.12269 96 100 -0.18529 97 101 -0.14730 97 103 0.31469 98 100 0.12019 98 101 0.20216 98 102 -0.13501 98 103 -0.20439 8 Singlet-A 5.1230 242.01 0.0120 0.000 94 99 0.31764 95 99 -0.31993 96 99 -0.26674 97 103 -0.10655 98 101 0.36838 98 102 -0.19979 9 Singlet-A 5.1356 241.42 0.0067 0.000 94 99 0.39586 95 99 -0.31219 96 99 0.11190 97 102 0.10986 98 101 -0.29421 98 102 0.32062 10 Singlet-A 5.2151 237.74 0.0127 0.000 93 99 0.11816 94 99 -0.17859 95 99 -0.32176 96 99 0.28903 97 100 -0.13879 97 101 0.32409 97 103 -0.24014 98 103 0.13916 PT65503S Wed Oct 9 13:46:04 2024 -19.19898 -19.17138 -19.14596 -19.14154 -14.42255 -14.38085 -10.36221 -10.32039 -10.28114 -10.24458 -10.24403 -10.22660 -10.20269 -10.18877 -10.18825 -10.18437 -10.18424 -10.17990 -10.17989 -10.17917 -10.17841 -10.17779 -10.17767 -10.17702 -10.17696 -10.17541 -10.17302 -10.17150 -1.16300 -1.09569 -1.08580 -1.06858 -1.03744 -0.90030 -0.88109 -0.86151 -0.84875 -0.82184 -0.76905 -0.76319 -0.75565 -0.75429 -0.74864 -0.73377 -0.69699 -0.66068 -0.65437 -0.63383 -0.62925 -0.62376 -0.61612 -0.59965 -0.58966 -0.56342 -0.55477 -0.55211 -0.53150 -0.50707 -0.50230 -0.49939 -0.49041 -0.48618 -0.48014 -0.47932 -0.45867 -0.45204 -0.44785 -0.44641 -0.44388 -0.43859 -0.43494 -0.43252 -0.42772 -0.42328 -0.42031 -0.40779 -0.40536 -0.39969 -0.39196 -0.38482 -0.37161 -0.36817 -0.36680 -0.36534 -0.35112 -0.34788 -0.34293 -0.33692 -0.33482 -0.33031 -0.32059 -0.30349 -0.27268 -0.26476 -0.26339 -0.26125 -0.23610 -0.23196 -0.05284 -0.03281 -0.02314 -0.01963 -0.01582 -0.01263 -0.00748 0.00275 0.01153 0.01550 0.02140 0.02331 0.02590 0.02873 0.03637 0.03894 0.04236 0.04529 0.04679 0.04902 0.05154 0.06072 0.06385 0.06443 0.06588 0.06976 0.07193 0.07485 0.08130 0.08589 0.08636 0.09357 0.09588 0.09768 0.10142 0.10597 0.10791 0.10915 0.11168 0.11811 0.12073 0.12328 0.12448 0.12598 0.12725 0.12999 0.13227 0.13535 0.13798 0.13946 0.14295 0.14463 0.14848 0.15110 0.15381 0.15586 0.15966 0.16189 0.16587 0.16762 0.16937 0.17402 0.18034 0.18344 0.18365 0.18524 0.19169 0.19210 0.19295 0.19501 0.19543 0.19744 0.20078 0.20280 0.20485 0.20832 0.20887 0.21179 0.21331 0.21705 0.21788 0.22060 0.22274 0.22505 0.22623 0.22785 0.23127 0.23341 0.23544 0.23616 0.23810 0.24220 0.24365 0.24687 0.25008 0.25179 0.25351 0.25585 0.25768 0.26283 0.26415 0.26444 0.26948 0.27036 0.27295 0.27452 0.27874 0.28043 0.28243 0.28417 0.28508 0.29158 0.29389 0.29623 0.29923 0.30349 0.30388 0.30631 0.30974 0.31214 0.31281 0.31549 0.32065 0.32270 0.32463 0.32879 0.33068 0.33240 0.33569 0.33784 0.34511 0.34633 0.34859 0.35028 0.35280 0.35356 0.35812 0.36311 0.36885 0.37319 0.37757 0.37933 0.38401 0.38796 0.39211 0.39384 0.39809 0.40145 0.40442 0.41003 0.41409 0.42097 0.42513 0.42807 0.43518 0.44240 0.44571 0.46404 0.47050 0.47810 0.48383 0.49122 0.49737 0.49820 0.50965 0.51805 0.52217 0.52906 0.53360 0.53693 0.53974 0.54533 0.54995 0.55282 0.55701 0.56072 0.56633 0.56667 0.57196 0.57793 0.58368 0.58652 0.59460 0.60124 0.60781 0.60925 0.61010 0.61961 0.62550 0.63020 0.63371 0.63674 0.63747 0.64436 0.64935 0.65583 0.66038 0.66332 0.67355 0.67734 0.67974 0.68528 0.69131 0.69157 0.69783 0.70106 0.70565 0.70843 0.70947 0.71733 0.72010 0.72204 0.72451 0.72911 0.73558 0.73791 0.74008 0.74434 0.74496 0.75454 0.75850 0.76145 0.76413 0.77101 0.77554 0.78169 0.79254 0.80033 0.80191 0.80514 0.81690 0.81873 0.82452 0.82910 0.83256 0.83609 0.84015 0.84319 0.84906 0.85295 0.85648 0.86220 0.86594 0.87066 0.87767 0.88476 0.88591 0.89032 0.89897 0.90301 0.90400 0.91352 0.92603 0.92908 0.93724 0.94488 0.94733 0.95587 0.96954 0.97576 0.98077 0.98301 0.99320 0.99974 1.00889 1.01448 1.01690 1.02493 1.03130 1.03719 1.03906 1.04531 1.05294 1.05778 1.06879 1.07199 1.07562 1.08568 1.08803 1.09494 1.10043 1.10479 1.10895 1.12059 1.13191 1.13681 1.14160 1.14946 1.15194 1.15598 1.16442 1.16726 1.17965 1.18250 1.20217 1.21106 1.21784 1.22722 1.24498 1.25972 1.26306 1.28648 1.29193 1.29839 1.31316 1.31373 1.32334 1.32873 1.34464 1.34950 1.36462 1.38203 1.39100 1.40524 1.42035 1.42794 1.43529 1.45313 1.46802 1.47617 1.48540 1.50294 1.50590 1.51068 1.52033 1.52369 1.53433 1.53610 1.54224 1.54422 1.55115 1.56031 1.56410 1.56804 1.57088 1.57496 1.57838 1.58342 1.58508 1.59687 1.60016 1.60763 1.60935 1.61346 1.61985 1.63979 1.64370 1.65240 1.66048 1.66470 1.66827 1.68113 1.68409 1.69049 1.69838 1.71041 1.72038 1.72431 1.73614 1.74372 1.75359 1.75782 1.76285 1.77285 1.78170 1.78519 1.79172 1.79802 1.80396 1.80792 1.81400 1.82124 1.82797 1.84206 1.84609 1.84946 1.86682 1.88005 1.88863 1.89797 1.90769 1.90990 1.91958 1.92403 1.92674 1.93042 1.94205 1.94330 1.95074 1.95548 1.95873 1.96886 1.97508 1.97977 1.98941 1.99207 1.99809 1.99944 2.00612 2.01441 2.02110 2.02819 2.02971 2.04164 2.04427 2.05874 2.06409 2.06645 2.08015 2.08415 2.09414 2.09817 2.10712 2.11300 2.12596 2.13058 2.13800 2.14297 2.16403 2.18215 2.21110 2.23086 2.25371 2.27308 2.28175 2.29598 2.31377 2.33633 2.34175 2.34767 2.35310 2.36284 2.39676 2.40587 2.40692 2.41272 2.42349 2.43426 2.43523 2.45444 2.46049 2.48192 2.49415 2.49925 2.51527 2.52918 2.55148 2.56367 2.59430 2.61446 2.62802 2.63349 2.63580 2.64374 2.64987 2.66210 2.66461 2.67517 2.68056 2.69082 2.69787 2.70134 2.70593 2.70879 2.71758 2.72500 2.73034 2.73386 2.75234 2.75800 2.76095 2.76528 2.77070 2.77761 2.78288 2.78475 2.79728 2.80162 2.80564 2.81521 2.81636 2.82446 2.82623 2.83597 2.83958 2.84838 2.85476 2.86367 2.87533 2.87654 2.88123 2.88834 2.89376 2.89947 2.91202 2.91832 2.92861 2.93227 2.93687 2.94590 2.94849 2.95952 2.96029 2.97385 2.98466 3.00153 3.02338 3.03136 3.03921 3.06817 3.08828 3.09780 3.10154 3.10693 3.11253 3.12508 3.14905 3.15278 3.17054 3.20074 3.20700 3.22068 3.22888 3.23511 3.29549 3.30725 3.33577 3.34593 3.35980 3.36402 3.37508 3.38197 3.38999 3.41944 3.43476 3.46203 3.48507 3.49567 3.50480 3.52015 3.52586 3.53929 3.54309 3.55954 3.58026 3.59331 3.62783 3.64129 3.65660 3.68578 3.68902 3.78106 3.82884 3.83286 3.84303 3.85825 3.96454 3.97487 3.99952 4.01036 4.01730 4.02178 4.03385 4.05275 4.09383 4.11338 4.11978 4.15462 4.16311 4.16687 4.17257 4.19113 4.20542 4.21822 4.23339 4.34406 4.35360 4.83326 4.84427 4.84957 4.85374 4.89613 5.08619 5.12048 5.14117 5.15300 5.15920 5.21425 5.31022 5.43006 5.44107 5.71669 5.81478 5.85824 5.92558 23.59841 23.62171 23.62874 23.77904 23.86491 23.89591 23.93879 23.95907 23.96728 23.96822 23.97516 23.97828 23.98076 24.06564 24.07361 24.07402 24.09623 24.09949 24.10712 24.18882 24.19421 24.19634 35.49582 35.57022 49.92864 49.98185 49.99347 50.06681 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 O O O O N 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 -0.017091 -0.345059 -0.399020 -0.034955 -0.013628 -0.108516 0.347960 0.539525 0.168557 -0.396565 0.332046 -0.325611 -0.265238 -0.231231 -0.443028 -0.319977 -0.251714 -0.339610 0.256795 -0.677034 -0.244965 -0.155460 -0.293719 1.218067 -0.437466 -0.299081 -0.269889 -0.406180 0.193944 0.205395 0.202058 0.184416 0.174834 0.323257 0.178559 0.173997 0.160392 0.217302 0.167808 0.177897 0.165526 0.204775 0.164320 0.184553 0.169927 0.163126 -0.00000 -0.3751 -0.2380 -3.1537 3.1848 -152.0937 -148.2937 -180.8270 -8.6126 -22.4119 0.1339 8.3111 12.1111 -20.4222 -8.6126 -22.4119 0.1339 7.8207 29.1967 -24.1955 41.1810 21.9116 -40.4716 -46.3902 -25.7156 -45.5640 -5.3905 -8138.3014 -4325.2599 -1176.2341 -22.6388 -502.9516 -99.8339 -93.2769 -60.0337 36.0737 -2050.5755 -1962.2068 -932.7751 -18.4494 -106.2343 21.6460 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS10 APULGAR 2024-10-09T00:00:00.000 0 Electronicspectrum famoxadone CONF111 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1259.9847563 RMSD=4.295e-09 PG=C01 [X(C22H18N2O4)] 0 2.3550857618 -2.4841124651 1.0044873619 0 2.4144654774 -0.6785462722 -2.0182176112 0 3.4546203619 -1.1139963832 2.4189387614 0 -3.7152097629 -1.1675268819 -0.4044250582 0 3.0823425825 -0.5478679158 0.1901241558 0 3.5816081782 0.7435307884 0.2275431373 0 1.8376072165 -2.4251483663 -0.3675150008 0 0.3279295055 -2.2091407555 -0.3342783954 0 2.4653005931 -1.1345602102 -0.9000486077 0 2.3135622056 -3.6614827363 -1.1102115556 0 3.0085965541 -1.3540724235 1.3270574708 0 -0.3232679478 -1.8532099142 0.8511957951 0 -0.3975107277 -2.2436081708 -1.5294883393 0 -1.6721200133 -1.5154675819 0.8415151845 0 -1.7455918298 -1.8954593058 -1.5473753329 0 -2.3665085938 -1.5161191503 -0.3637159661 0 2.6141400761 1.7812217477 0.0929315535 0 3.0285729587 3.0122758815 -0.4255825125 0 1.2943913378 1.611420998 0.521124275 0 -4.0712657331 0.1158758777 0.0047789203 0 2.1236713763 4.0669998574 -0.5105620975 0 0.3962064445 2.6736393842 0.4236202312 0 0.8020561981 3.9052081872 -0.0889125721 0 -3.1872651036 1.1936949848 -0.0494739057 0 -5.3871420315 0.2877158033 0.430364807 0 -3.633911567 2.4558842024 0.3417911981 0 -5.8208466977 1.5561547636 0.8109281124 0 -4.9472915087 2.6449652274 0.7721857089 0 3.4015571383 -3.7278419699 -1.0570987539 0 2.0153058557 -3.6053275548 -2.1571076726 0 1.8683875829 -4.5485615949 -0.6579007304 0 0.2174822143 -1.8243347038 1.7874340531 0 0.0878073333 -2.5077084207 -2.4601863573 0 4.3727345451 0.8362926723 -0.4022708376 0 -2.176134245 -1.2252292574 1.7551647946 0 -2.3086140038 -1.8946064225 -2.4725580025 0 4.0523665569 3.1361089373 -0.7626709494 0 0.9600603711 0.6626327512 0.9219085466 0 2.4535637257 5.0165807 -0.9167269636 0 -0.6265593709 2.5310784353 0.7528885098 0 0.0990204684 4.7265882179 -0.162121676 0 -2.1681348344 1.0550621385 -0.3864974116 0 -6.0513769576 -0.567769445 0.4614304752 0 -2.9455955646 3.2928527875 0.3033132955 0 -6.8436571001 1.6899820105 1.1445003648 0 -5.2868124829 3.6285986945 1.074739941 Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C22H18N2O4)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3551,-2.4841,1.0045;2.4145,-.6785,-2.0182;3.4546,-1.114,2.4189;-3.7152,-1.1675,-.4044;3.0823,-.5479,.1901;3.5816,.7435,.2275;1.8376,-2.4251,-.3675;.3279,-2.2091,-.3343;2.4653,-1.1346,-.9;2.3136,-3.6615,-1.1102;3.0086,-1.3541,1.3271;-.3233,-1.8532,.8512;-.3975,-2.2436,-1.5295;-1.6721,-1.5155,.8415;-1.7456,-1.8955,-1.5474;-2.3665,-1.5161,-.3637;2.6141,1.7812,.0929;3.0286,3.0123,-.4256;1.2944,1.6114,.5211;-4.0713,.1159,.0048;2.1237,4.067,-.5106;.3962,2.6736,.4236;.8021,3.9052,-.0889;-3.1873,1.1937,-.0495;-5.3871,.2877,.4304;-3.6339,2.4559,.3418;-5.8208,1.5562,.8109;-4.9473,2.645,.7722;3.4016,-3.7278,-1.0571;2.0153,-3.6053,-2.1571;1.8684,-4.5486,-.6579;.2175,-1.8243,1.7874;.0878,-2.5077,-2.4602;4.3727,.8363,-.4023;-2.1761,-1.2252,1.7552;-2.3086,-1.8946,-2.4726;4.0524,3.1361,-.7627;.9601,.6626,.9219;2.4536,5.0166,-.9167;-.6266,2.5311,.7529;.099,4.7266,-.1621;-2.1681,1.0551,-.3865;-6.0514,-.5678,.4614;-2.9456,3.2929,.3033;-6.8437,1.69,1.1445;-5.2868,3.6286,1.0747; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point famoxadone CONF111 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 16 16 14 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 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 2 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 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1422 A 1254 A 1254 1822 1422 98 98 2546.3090271781 46 46 46 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 -0.0530818473 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.521412 0.000000 2.255408 4.578198 0.000000 6.369217 6.357385 7.705888 0.000000 2.222866 2.310825 2.329529 6.851583 0.000000 3.539164 2.903096 2.875543 7.569351 1.385055 0.000000 1.467532 2.471478 3.478243 5.693571 2.320455 3.665537 0.000000 2.444845 3.087394 4.307638 4.175746 3.259082 4.429485 1.525415 0.000000 2.336813 1.208650 3.463359 6.200439 1.383266 2.458624 1.530754 2.458287 0.000000 2.420718 3.119706 4.499622 6.562320 3.460707 4.775110 1.518767 2.579556 2.540183 0.000000 1.344663 3.464129 1.203652 6.945675 1.395715 2.436640 2.321636 3.267592 2.302902 3.427462 0.000000 2.755924 4.136249 4.156524 3.681306 3.706631 4.730757 2.545928 1.398604 3.370375 3.750979 3.402485 0.000000 3.749088 3.255071 5.630720 3.664812 4.235798 5.276698 2.525647 1.398563 3.133986 3.088054 4.533508 2.413624 0.000000 4.145265 5.057538 5.378932 2.418191 4.895454 5.751669 3.821970 2.421543 4.505151 4.929532 4.708599 1.390527 2.788633 0.000000 4.865601 4.359891 6.586694 2.390735 5.305078 6.204326 3.809456 2.422703 4.327772 4.448222 5.581915 2.788895 1.392426 2.420039 0.000000 5.010234 5.128023 6.464550 1.393617 5.561855 6.390282 4.301272 2.782291 4.876435 5.202202 5.637085 2.400932 2.401087 1.390956 1.389419 0.000000 4.369339 3.247658 3.807756 7.000225 2.377671 1.425103 4.302158 4.618686 3.083820 5.582198 3.392452 4.734176 5.282191 5.458989 5.934295 5.990646 0.000000 5.719176 4.066421 5.029805 7.934091 3.613393 2.424794 5.566629 5.879201 4.211727 6.746778 4.705013 6.044663 6.370320 6.648497 6.938078 7.043940 1.398608 0.000000 4.258181 3.598163 3.961842 5.803042 2.822917 2.463896 4.168771 4.032673 3.306233 5.612796 3.518832 3.837895 4.682819 4.322068 5.081181 4.895573 1.397826 2.421990 0.000000 7.004095 6.840200 7.998732 1.393322 7.186725 7.681800 6.442840 4.987342 6.716324 7.501844 7.350756 4.317547 4.627917 3.019488 3.444330 2.388596 6.890268 7.679977 5.594063 0.000000 6.728001 4.987764 6.098862 7.842453 4.765188 3.703488 6.500022 6.530368 5.227297 7.754036 5.792060 6.549105 6.871560 6.884772 7.183112 7.166205 2.414445 1.392304 2.789615 7.365745 0.000000 5.547704 4.612276 5.261309 5.687175 4.200947 3.729685 5.357347 4.941722 4.531626 6.794311 4.885002 4.603567 5.350135 4.690547 5.417452 5.080017 2.413502 2.786606 1.394472 5.164871 2.407963 0.000000 6.665646 5.228086 6.206273 6.799844 5.010734 4.221642 6.420545 6.137611 5.368760 7.783477 5.876549 5.942183 6.428232 6.030835 6.501182 6.285389 2.797862 2.422406 2.424046 6.173903 1.396650 1.394333 0.000000 6.734594 6.225803 7.452056 2.445421 6.511408 6.789479 6.200526 4.900714 6.172175 7.413300 6.839200 4.277536 4.667786 3.229410 3.723574 2.848769 5.832818 6.487321 4.537105 1.395025 6.055950 3.905806 4.823748 0.000000 8.243466 8.233729 9.170386 2.368536 8.513994 8.982616 7.758431 6.283392 8.090348 8.790358 8.601625 5.513935 5.928326 4.149928 4.683866 3.606745 8.146468 8.887077 6.811998 1.393622 8.460535 6.256181 7.187633 2.427036 0.000000 7.791715 7.209519 8.204016 3.700345 7.358913 7.416801 7.366486 6.157574 7.185669 8.654648 7.720715 5.457852 6.005098 4.457576 5.105770 4.228577 6.289296 6.729572 5.003344 2.404266 6.039202 4.036826 4.686561 1.394885 2.789734 0.000000 9.121792 8.989901 9.785177 3.650922 9.169465 9.455520 8.711568 7.300438 8.878492 9.853077 9.311009 6.469062 7.023412 5.162144 5.838059 4.769812 8.468481 9.053258 7.121352 2.405268 8.435997 6.328549 7.084533 2.794176 1.393508 2.410869 0.000000 8.926708 8.545616 9.350600 4.175827 8.660716 8.755239 8.546334 7.253590 8.486914 9.799730 8.921678 6.451466 7.063735 5.295352 6.020523 5.026464 7.640856 8.073660 6.331655 2.784354 7.325718 5.354931 5.948504 2.424665 2.422176 1.394976 1.396463 0.000000 2.625281 3.346088 4.349464 7.591414 3.430699 4.655738 2.149064 3.503728 2.761585 1.091310 3.387241 4.585865 4.105974 5.851627 5.485539 6.216356 5.682638 6.779906 5.953038 8.470232 7.917781 7.225208 8.121468 8.285494 9.776425 9.470648 10.791797 10.661249 0.000000 3.371685 2.957138 5.405419 6.469434 3.999515 5.201195 2.151056 2.849436 2.808449 1.090001 4.265464 4.193892 2.840752 5.191952 4.176096 5.175069 5.868236 6.915025 5.908224 7.454359 7.847768 6.979045 7.884006 7.385085 8.754829 8.654273 9.841515 9.804320 1.773900 0.000000 2.694877 4.138319 4.876404 6.532397 4.265956 5.632529 2.143398 2.819687 3.474240 1.090722 3.930000 3.787565 3.347651 4.897254 4.570663 5.216953 6.417636 7.652860 6.298012 7.581267 8.620602 7.449644 8.539733 7.674850 8.787298 8.963088 9.927202 10.012265 1.784250 1.777329 0.000000 2.370161 4.541206 3.373788 4.549913 3.519686 4.510492 2.762171 2.159152 3.570860 4.020574 2.867649 1.081567 3.399409 2.135593 3.870358 3.376307 4.649231 6.016018 3.816764 5.033452 6.604708 4.703584 6.057232 4.906632 6.141189 5.936614 6.988754 6.905089 4.674724 4.686525 4.015789 0.000000 4.140661 2.992409 6.089641 4.526056 4.453354 5.477325 2.729082 2.160159 3.157854 2.847387 4.919868 3.400383 1.082350 3.870803 2.137621 3.376700 5.594255 6.577077 5.226020 5.500649 7.153500 5.937829 6.874488 5.498911 6.792993 6.807314 7.882091 7.896233 3.799779 2.238722 3.253272 4.304195 0.000000 4.132187 2.956491 3.550463 8.332475 1.982913 1.015456 4.130990 5.063569 2.787534 4.997135 3.106308 5.554912 5.788925 6.604396 6.797621 7.138118 2.056884 2.557776 3.306007 8.484446 3.937954 4.457658 4.718705 7.576661 9.810678 8.202627 10.290731 9.566270 4.712039 5.325872 5.944220 5.398136 5.811881 0.000000 4.762379 5.967485 5.670835 2.652529 5.528087 6.273854 4.696349 3.406492 5.348018 5.856884 5.203971 2.155141 3.871633 1.083062 3.397256 2.147211 5.894785 7.056988 4.649085 2.907565 7.185370 4.857070 6.212216 3.182813 3.788756 4.203967 4.680984 4.860449 6.729230 6.207972 5.764163 2.467665 4.953723 7.196672 0.000000 5.847004 4.898235 7.599405 2.604675 6.161655 6.996073 4.680153 3.409184 5.083376 5.132480 6.557590 3.871776 2.159513 3.395873 1.083032 2.143320 6.657849 7.533470 5.851155 3.645021 7.683445 6.047543 6.999706 4.022558 4.760969 5.348247 5.918176 6.172414 6.162007 4.660725 5.271034 4.953144 2.473637 7.508949 4.282436 0.000000 6.131109 4.337132 5.342596 8.887343 3.926888 2.631837 5.999074 6.528908 4.558099 7.025061 5.061437 6.829645 7.023587 7.548531 7.716784 7.937528 2.153200 1.084950 3.402827 8.700815 2.156382 3.871521 3.407342 7.529534 9.931818 7.794961 10.121898 9.142803 6.901019 7.179209 7.989675 6.768706 7.102955 2.349825 8.009681 8.288177 0.000000 3.443098 3.543783 3.408862 5.192956 2.550471 2.713153 3.459349 3.197605 2.969037 4.965829 2.903058 2.825136 4.037150 3.417449 4.467858 4.179217 2.162042 3.408123 1.082869 5.143376 3.872425 2.147177 3.400150 4.292542 6.377237 4.965568 6.840424 6.232886 5.399412 5.367436 5.520634 2.735976 4.717039 3.664690 3.754205 5.361540 4.303284 0.000000 7.743459 5.800800 7.050727 8.749823 5.708202 4.565172 7.487347 7.554377 6.151175 8.681349 6.777009 7.617767 7.823966 7.923404 8.112147 8.137265 3.393043 2.142218 3.873785 8.212154 1.084206 3.393910 2.155899 6.869173 9.254917 6.722975 9.133740 7.952964 8.796779 8.721692 9.586520 7.688346 8.037039 4.628465 8.217865 8.536009 2.473071 4.956611 0.000000 5.840004 5.218099 5.719993 4.955685 4.853099 4.602172 5.647265 4.956073 5.072347 7.103750 5.351488 4.395866 5.297107 4.180381 5.112503 4.544671 3.391159 3.870444 2.142320 4.273040 3.393985 1.083878 2.153556 2.998265 5.272556 3.036251 5.285307 4.322276 7.660017 7.287181 7.637826 4.555471 6.018600 5.403668 4.185163 5.728831 4.955334 2.457035 4.295637 0.000000 7.644934 6.166187 7.213484 7.024789 6.069940 5.305186 7.362894 6.941641 6.363716 8.727130 6.903457 6.670748 7.120384 6.565629 7.012349 6.714973 3.881503 3.404491 3.405878 6.219149 2.157702 2.155461 1.083644 4.826354 7.081851 4.398273 6.785521 5.538172 9.120588 8.779120 9.455414 6.835890 7.590539 5.784177 6.654055 7.414515 4.303397 4.293279 2.489458 2.486760 0.000000 5.909325 5.164120 6.647606 2.708074 5.519909 5.790824 5.306430 4.109511 5.150428 6.546386 5.961438 3.659708 3.914430 2.891655 3.198712 2.578923 4.860793 5.553196 3.622485 2.158026 5.244689 3.138778 4.127217 1.082326 3.408532 2.154346 3.876497 3.405004 7.372065 6.508108 6.911423 4.325283 4.699233 6.544546 3.128340 3.615512 6.570152 3.413434 6.110227 2.419355 4.320931 0.000000 8.639207 8.822211 9.720812 2.562634 9.137770 9.724640 8.146967 6.634968 8.643418 9.056121 9.135136 5.883494 6.224018 4.496720 4.933340 3.893390 8.985808 9.800460 7.662424 2.144001 9.447607 7.216612 8.202436 3.401017 1.083526 3.873104 2.164797 3.411340 10.082160 9.008600 8.934331 6.529612 7.070275 10.553647 4.138056 4.937313 10.830640 7.133455 10.267341 6.254315 8.139191 4.293266 0.000000 7.871607 7.063411 8.053506 4.581287 7.148425 7.007794 7.484957 6.433850 7.094213 8.832869 7.621966 5.801615 6.364299 5.003134 5.637698 4.889425 5.765410 6.025006 4.566415 3.383702 5.192222 3.400815 3.817553 2.142271 3.874034 1.084332 3.397184 2.155548 9.561758 8.845852 9.251278 6.196231 7.105278 7.751806 4.807599 5.917849 7.080421 4.749196 5.797470 2.482005 3.397339 2.467385 4.957346 0.000000 10.102452 10.066059 10.749000 4.511287 10.219798 10.508222 9.725474 8.295878 9.940569 10.843273 10.313413 7.426689 8.011002 6.091921 6.789098 5.709524 9.516515 10.083380 8.162267 3.385695 9.423504 7.341858 8.055152 3.878283 2.144243 3.396088 1.084122 2.155647 11.796791 10.836150 10.865901 7.913499 8.869023 11.354679 5.536889 6.819018 11.155802 7.874198 10.087281 6.285945 7.689539 4.960603 2.488319 4.297869 0.000000 9.786153 9.350271 10.035523 5.259343 9.395114 9.364307 9.459667 8.221305 9.310356 10.755696 9.680108 7.398444 8.072799 6.291408 7.066183 6.088140 8.173237 8.472099 6.905631 3.868022 7.590827 5.799363 6.205233 3.405982 3.403937 2.155123 2.156343 1.083674 11.582302 10.774760 11.002949 7.780725 8.890248 10.162942 5.805079 7.208244 9.530944 6.916916 8.112081 4.798552 5.634058 4.299355 4.309317 2.487794 2.487341 0.000000 C22H18N2O4 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 0 356.2463999999997 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;5;6;1;2;3;4;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.8238,-1.8195,1.2243;2.5918,-.2887,-1.9385;3.5659,-.1388,2.5324;-3.3422,-1.9422,-.3669;3.15,.1562,.2594;3.3639,1.5231,.1944;2.3472,-1.9813,-.1542;.8257,-2.0899,-.1584;2.704,-.6331,-.7854;3.0958,-3.1429,-.7843;3.2138,-.5543,1.459;.0785,-1.7878,.9847;.1604,-2.3729,-1.3555;-1.3103,-1.7469,.9296;-1.2297,-2.3224,-1.4197;-1.9522,-1.9912,-.28;2.2036,2.3169,-.0391;2.3641,3.5628,-.654;.9371,1.9045,.3851;-3.9735,-.7357,-.0716;1.2598,4.3904,-.8388;-.1618,2.7398,.1873;-.0099,3.9849,-.4218;-3.3359,.4978,-.205;-5.3082,-.8148,.3214;-4.0506,1.6629,.0731;-6.0114,.3582,.5885;-5.3867,1.6015,.4694;4.1712,-2.9716,-.7121;2.8242,-3.2349,-1.8359;2.8346,-4.0657,-.2647;.5724,-1.5701,1.9219;.7184,-2.6006,-2.2545;4.1362,1.7319,-.4309;-1.8916,-1.4991,1.8091;-1.752,-2.515,-2.3487;3.3484,3.8747,-.9873;.7988,.9411,.8599;1.3939,5.3532,-1.3191;-1.1408,2.4093,.5144;-.868,4.6292,-.5726;-2.3007,.5531,-.5163;-5.7774,-1.7869,.4158;-3.5538,2.6215,-.0269;-7.049,.2972,.8967;-5.9353,2.5111,.6839; 0.2546502 0.1343457 0.1003202 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= 1254 RedAO= T EigKep= 1.02D-06 NBF= 1254 NBsUse= 1248 1.00D-06 EigRej= 8.98D-07 NBFU= 1248 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= 1396 1396 1396 1396 1396 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1259.99022147327 -1260.07285423702 -0.082632763751 -1260.07285562126 -0.000001384240 -1260.07320420221 -0.000348580945 -1260.07326199830 -0.000057796087 -1260.07326678664 -0.000004788343 -1260.07326725464 -0.000000467999 -1260.07326728253 -0.000000027892 -1260.07326728473 -0.000000002203 -1260.07326728511 -0.000000000381 -1260.07326728533 -0.000000000219 -1260.07326728519 0.000000000139 -1260.07326729 12 1.254343385392e+03 -8.028267976713e+03 2.967579199906e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1411509278 LenY= 1409485772 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. PT63110S Wed Oct 9 19:12:13 2024 -19.19746 -19.17060 -19.14373 -19.13928 -14.42007 -14.37932 -10.35773 -10.31645 -10.27850 -10.24226 -10.24207 -10.22487 -10.20059 -10.18697 -10.18641 -10.18239 -10.18224 -10.17844 -10.17834 -10.17778 -10.17694 -10.17628 -10.17597 -10.17540 -10.17530 -10.17361 -10.17145 -10.17002 -1.15810 -1.09107 -1.08240 -1.06405 -1.03370 -0.89729 -0.87866 -0.85936 -0.84651 -0.81919 -0.76692 -0.76111 -0.75397 -0.75260 -0.74656 -0.73187 -0.69432 -0.65794 -0.65169 -0.63125 -0.62730 -0.62211 -0.61447 -0.59764 -0.58795 -0.56127 -0.55294 -0.55018 -0.52952 -0.50540 -0.50068 -0.49730 -0.48892 -0.48422 -0.47820 -0.47771 -0.45725 -0.45028 -0.44620 -0.44512 -0.44253 -0.43710 -0.43349 -0.43107 -0.42620 -0.42189 -0.41908 -0.40679 -0.40463 -0.39867 -0.39122 -0.38360 -0.37067 -0.36683 -0.36563 -0.36416 -0.34989 -0.34660 -0.34168 -0.33592 -0.33408 -0.32909 -0.31909 -0.30204 -0.27215 -0.26432 -0.26302 -0.26057 -0.23549 -0.23141 -0.05127 -0.03273 -0.02283 -0.01918 -0.01575 -0.01264 -0.00711 0.00181 0.01054 0.01425 0.02164 0.02296 0.02499 0.02736 0.03515 0.03764 0.04082 0.04380 0.04505 0.04766 0.05027 0.05937 0.06244 0.06332 0.06454 0.06852 0.07030 0.07355 0.08057 0.08484 0.08505 0.09216 0.09483 0.09634 0.10064 0.10429 0.10611 0.10748 0.11128 0.11683 0.11981 0.12195 0.12284 0.12459 0.12598 0.12866 0.13072 0.13422 0.13652 0.13979 0.14175 0.14228 0.14637 0.14887 0.15145 0.15448 0.15745 0.15908 0.16294 0.16414 0.16685 0.17021 0.17667 0.17775 0.17972 0.18230 0.18575 0.18697 0.18845 0.19000 0.19052 0.19282 0.19555 0.19771 0.19981 0.20368 0.20465 0.20588 0.20903 0.21137 0.21179 0.21525 0.21690 0.21774 0.22000 0.22192 0.22550 0.22769 0.22961 0.23047 0.23244 0.23511 0.23716 0.24158 0.24446 0.24684 0.24766 0.24951 0.25114 0.25529 0.25624 0.25788 0.26163 0.26373 0.26585 0.26975 0.27195 0.27390 0.27508 0.27762 0.28349 0.28401 0.28733 0.28786 0.29238 0.29330 0.29644 0.29725 0.30090 0.30420 0.30622 0.30872 0.30966 0.31402 0.31430 0.31890 0.31982 0.32412 0.32773 0.32847 0.33167 0.33441 0.33734 0.33832 0.34072 0.34266 0.34535 0.34843 0.35514 0.35700 0.35772 0.36200 0.36293 0.36525 0.36756 0.37540 0.37994 0.38125 0.38344 0.38597 0.38770 0.39069 0.39458 0.40150 0.40483 0.40577 0.40991 0.41619 0.41868 0.42281 0.42520 0.42737 0.42949 0.43527 0.43863 0.44191 0.44275 0.44692 0.45020 0.45364 0.45607 0.45940 0.46349 0.46587 0.46821 0.47131 0.47650 0.48099 0.48191 0.48300 0.48838 0.49210 0.49707 0.49866 0.50154 0.50757 0.51118 0.51439 0.51660 0.51951 0.52725 0.53019 0.53556 0.53592 0.54122 0.54636 0.55068 0.55247 0.55528 0.55880 0.56020 0.56288 0.56474 0.56724 0.56970 0.57283 0.57445 0.57721 0.57909 0.58201 0.58286 0.58606 0.59176 0.59303 0.59634 0.59673 0.60046 0.60231 0.60431 0.60845 0.61022 0.61219 0.61681 0.62119 0.62239 0.62605 0.62820 0.63073 0.63217 0.63281 0.63880 0.64062 0.64707 0.64837 0.65082 0.65556 0.65726 0.66597 0.66670 0.67250 0.67394 0.67760 0.68061 0.68395 0.68738 0.69292 0.69681 0.70108 0.70250 0.70488 0.70642 0.71512 0.71801 0.71976 0.72639 0.72722 0.73356 0.73562 0.73983 0.74355 0.74633 0.74908 0.75079 0.75720 0.76080 0.76376 0.76642 0.77132 0.77318 0.77612 0.78114 0.78664 0.78926 0.79961 0.80218 0.80392 0.80587 0.80881 0.81605 0.81722 0.81982 0.82199 0.82637 0.83472 0.83856 0.84308 0.84850 0.85377 0.85648 0.86032 0.86667 0.86837 0.86900 0.87988 0.88225 0.88422 0.88703 0.89775 0.89951 0.90948 0.91515 0.91870 0.92434 0.92519 0.93058 0.94097 0.94720 0.95243 0.95440 0.95742 0.96591 0.96732 0.96974 0.97582 0.98045 0.98855 0.98969 0.99389 0.99880 1.00748 1.01134 1.02070 1.02637 1.02864 1.03704 1.03982 1.04348 1.04821 1.05804 1.06294 1.06659 1.07152 1.08297 1.08435 1.08638 1.08990 1.09624 1.09655 1.10164 1.10469 1.11382 1.11625 1.12012 1.12214 1.12919 1.13460 1.13764 1.14046 1.14367 1.14698 1.15084 1.15819 1.16098 1.16250 1.16561 1.16959 1.17605 1.17848 1.18302 1.18997 1.19116 1.19672 1.19987 1.20564 1.20959 1.21171 1.21631 1.21739 1.22459 1.22753 1.23234 1.23248 1.23617 1.23740 1.23938 1.24548 1.24922 1.25479 1.25550 1.25647 1.26095 1.26584 1.26835 1.27215 1.27387 1.27965 1.28347 1.28553 1.29198 1.29623 1.29756 1.30250 1.30565 1.30882 1.31299 1.31626 1.31775 1.31993 1.32840 1.33341 1.33625 1.33897 1.34117 1.34839 1.35194 1.35877 1.35976 1.36062 1.36576 1.37586 1.37670 1.37778 1.38144 1.38311 1.38979 1.39507 1.39617 1.40099 1.40803 1.40981 1.41225 1.41825 1.42270 1.42710 1.43164 1.43413 1.43484 1.44106 1.44247 1.44655 1.45274 1.45947 1.46230 1.46706 1.46836 1.47295 1.47737 1.48050 1.48611 1.48846 1.49213 1.49880 1.50186 1.50793 1.51548 1.51932 1.52470 1.53286 1.53540 1.53789 1.53889 1.54751 1.55291 1.55437 1.56029 1.56541 1.56833 1.57093 1.57639 1.58441 1.58829 1.59310 1.59891 1.60442 1.60879 1.61267 1.61783 1.62943 1.63808 1.64254 1.64550 1.64947 1.65842 1.66275 1.66808 1.67671 1.67881 1.68799 1.69298 1.70130 1.70728 1.71303 1.71620 1.73285 1.74312 1.74631 1.75177 1.75285 1.76250 1.76855 1.77183 1.77461 1.78077 1.79146 1.79543 1.80218 1.81927 1.82422 1.83210 1.83679 1.84121 1.84336 1.86156 1.87324 1.88298 1.89137 1.89813 1.90544 1.91324 1.92055 1.93263 1.93462 1.93915 1.94802 1.95546 1.96231 1.97098 1.97305 1.98311 1.99042 1.99819 2.00583 2.01038 2.01269 2.01830 2.02668 2.03860 2.04095 2.04545 2.04868 2.06241 2.06489 2.07485 2.08059 2.08526 2.08951 2.09484 2.10139 2.11330 2.12577 2.12746 2.14186 2.14419 2.15220 2.15749 2.16980 2.18403 2.18824 2.19266 2.20348 2.21206 2.21574 2.22425 2.23333 2.24452 2.25246 2.26238 2.27637 2.28713 2.30110 2.33679 2.34315 2.35433 2.35941 2.36253 2.37594 2.38274 2.38655 2.40158 2.41274 2.41657 2.42139 2.43054 2.43702 2.44735 2.46270 2.46363 2.46874 2.47640 2.48651 2.49222 2.49698 2.51250 2.52322 2.52848 2.53393 2.53590 2.54778 2.56235 2.56418 2.58104 2.58651 2.59139 2.61302 2.62922 2.63055 2.63769 2.64512 2.65586 2.67418 2.68526 2.69659 2.70817 2.72712 2.73457 2.74551 2.76107 2.76182 2.77870 2.78432 2.79268 2.79478 2.80356 2.80880 2.81295 2.81675 2.82062 2.82684 2.83224 2.83477 2.84292 2.84628 2.85001 2.85411 2.85533 2.85890 2.87017 2.88040 2.88640 2.88667 2.89202 2.89464 2.90354 2.90486 2.90949 2.91390 2.91585 2.92262 2.92726 2.93144 2.93484 2.93806 2.94556 2.94834 2.95309 2.96364 2.96978 2.97244 2.97727 2.98393 2.99058 2.99536 3.00176 3.01116 3.02392 3.02925 3.03862 3.04482 3.05446 3.05822 3.06321 3.06811 3.07048 3.08391 3.09267 3.10367 3.10781 3.11206 3.12500 3.12861 3.13721 3.13763 3.14723 3.15958 3.16544 3.17360 3.17899 3.18101 3.19566 3.20493 3.20989 3.22347 3.23021 3.23607 3.24696 3.24923 3.25047 3.26067 3.26468 3.26591 3.26995 3.27841 3.27885 3.28646 3.28857 3.29414 3.29727 3.29966 3.30964 3.31418 3.31891 3.32213 3.33180 3.33475 3.33872 3.34797 3.36002 3.36391 3.36979 3.38230 3.38864 3.39131 3.39468 3.40095 3.40638 3.40733 3.41336 3.41524 3.42269 3.42741 3.43768 3.44770 3.45393 3.46033 3.47429 3.48011 3.48274 3.49080 3.49645 3.50126 3.50588 3.52330 3.52846 3.53545 3.53700 3.54317 3.55767 3.56388 3.56777 3.57164 3.58362 3.58605 3.59653 3.59694 3.60503 3.61571 3.61989 3.63106 3.63454 3.64389 3.64666 3.66889 3.67065 3.67532 3.68084 3.68428 3.69270 3.69503 3.70736 3.71100 3.71554 3.71894 3.73163 3.73251 3.74067 3.75958 3.76894 3.77137 3.77634 3.78003 3.79193 3.79803 3.80221 3.80457 3.81468 3.82261 3.82691 3.83687 3.84716 3.84955 3.85456 3.86572 3.88833 3.89662 3.91381 3.91724 3.93022 3.93838 3.94770 3.95413 3.97299 3.98817 3.99146 4.00577 4.01873 4.03702 4.05402 4.06141 4.07429 4.07852 4.09502 4.10234 4.11443 4.12355 4.12774 4.13677 4.16253 4.16813 4.17603 4.18354 4.19054 4.19589 4.20539 4.20947 4.21817 4.22935 4.23901 4.24914 4.25045 4.26454 4.27385 4.27647 4.28506 4.29491 4.30205 4.31373 4.31465 4.32179 4.33176 4.33358 4.33929 4.34578 4.34973 4.36029 4.36331 4.36589 4.37521 4.37913 4.38422 4.38757 4.39598 4.40938 4.41589 4.42479 4.42724 4.44200 4.44709 4.45600 4.46582 4.47619 4.48531 4.48697 4.49645 4.50580 4.51334 4.51873 4.53209 4.54526 4.55284 4.55787 4.56256 4.57053 4.57336 4.57757 4.58384 4.58723 4.59249 4.60115 4.60621 4.61769 4.63291 4.64057 4.64840 4.66268 4.67657 4.68752 4.69011 4.70140 4.71937 4.72704 4.74402 4.74957 4.76279 4.76693 4.77311 4.78736 4.80107 4.81156 4.83317 4.84964 4.85732 4.86558 4.87600 4.89735 4.91131 4.92995 4.94776 4.95852 4.98542 4.99725 5.01169 5.03037 5.04780 5.05938 5.06332 5.07260 5.09052 5.10312 5.13344 5.17380 5.21758 5.23741 5.28136 5.30504 5.32530 5.34022 5.34674 5.36822 5.37269 5.42842 5.44518 5.45645 5.47133 5.47371 5.49956 5.51356 5.52137 5.52934 5.55349 5.56076 5.56886 5.59574 5.61116 5.63060 5.63325 5.65870 5.66705 5.72685 5.75492 5.76267 5.77978 5.78512 5.81344 5.82363 5.85511 5.86379 5.91633 5.91988 5.92422 5.94225 5.95041 5.95192 5.95887 5.96685 5.98617 5.99956 6.01052 6.01343 6.03642 6.07356 6.11219 6.17603 6.19001 6.20717 6.22240 6.26108 6.34063 6.35037 6.36842 6.38266 6.42900 6.45341 6.62819 6.65859 6.67197 6.69297 6.76746 6.79320 6.80129 6.90495 7.07416 7.08958 7.09479 7.11164 7.11621 7.12727 7.14188 7.15398 7.15983 7.17110 7.18471 7.18718 7.19843 7.20530 7.21011 7.22749 7.25987 7.26875 7.27639 7.28116 7.29884 7.31051 7.31538 7.31860 7.32456 7.32604 7.33406 7.34239 7.35297 7.35750 7.36845 7.37612 7.38516 7.39685 7.40459 7.43115 7.43573 7.43805 7.44904 7.46159 7.46790 7.47482 7.47798 7.48634 7.49623 7.51195 7.52457 7.54071 7.55123 7.55883 7.57694 7.59497 7.61292 7.63475 7.63778 7.63924 7.65081 7.66021 7.67662 7.68064 7.70356 7.73288 7.74673 7.83849 7.85748 7.86593 7.87160 7.87732 7.90988 7.91148 7.91734 7.93623 7.93808 7.95909 7.96565 7.96826 7.97987 7.99072 7.99306 8.02665 8.03872 8.04027 8.08056 8.09764 8.12639 8.14252 8.14405 8.18374 8.21418 8.27558 8.28345 8.28773 8.29650 8.30110 8.31346 8.33946 8.39379 8.41071 8.45972 8.46328 8.46397 8.46951 8.48883 8.58055 8.59425 8.63599 8.69195 8.71560 8.89962 9.38242 9.38735 9.39759 10.33060 10.50905 10.53693 10.62428 10.67761 10.83145 10.98255 11.31070 11.43907 11.88357 14.37550 14.39708 14.43112 14.43681 14.44913 14.46638 14.50228 14.52375 14.57924 14.62813 14.68465 14.69371 14.73446 14.84138 14.98350 15.02991 15.09653 15.11579 15.14686 15.22314 24.00247 24.01370 24.07539 24.37339 24.52746 24.95572 24.95992 24.97021 24.97164 24.98621 24.99906 25.14745 25.20939 25.37244 25.37626 25.38176 25.40192 25.40857 25.42876 25.79699 25.79915 25.81026 35.99871 36.15701 50.29177 50.30393 50.47446 50.52226 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 O O O O N 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 -0.648702 -0.884359 -0.841614 -0.816738 -0.335609 -0.773004 0.261057 0.391634 1.153959 -0.409093 1.365464 -0.240662 -0.163510 -0.260687 -0.455412 0.300376 0.813522 -0.705971 -0.168996 0.650049 -0.083092 0.059684 -0.423161 -0.077741 -0.263521 -0.048881 -0.122056 -0.614759 0.183435 0.202097 0.176996 0.178685 0.170671 0.297946 0.169871 0.169219 0.155583 0.236799 0.154486 0.208297 0.159480 0.228504 0.157361 0.182294 0.154798 0.155305 -0.00000 -0.3469 -0.4260 -3.0673 3.1161 -151.8765 -147.8199 -180.3287 -8.0601 -21.7521 0.0590 8.1319 12.1885 -20.3203 -8.0601 -21.7521 0.0590 11.1741 25.3629 -23.6672 41.0276 19.2723 -40.3722 -45.7558 -25.4307 -43.8792 -5.7035 -8145.7150 -4324.4436 -1174.2268 -13.2001 -489.0683 -94.7024 -91.1852 -58.6349 34.4892 -2047.2007 -1955.5481 -931.2524 -18.6063 -101.1670 21.5886 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS10 APULGAR 2024-10-09T00:00:00.000 0 Single Point famoxadone CONF111 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1260.0732673 RMSD=3.742e-09 Dipole=-0.184284,-0.0329758,-1.2116001 Quadrupole=3.2859894,10.640373,-13.9263624,-3.4129144,-16.3691076,5.6859917 PG=C01 [X(C22H18N2O4)] 0 2.3550857618 -2.4841124651 1.0044873619 0 2.4144654774 -0.6785462722 -2.0182176112 0 3.4546203619 -1.1139963832 2.4189387614 0 -3.7152097629 -1.1675268819 -0.4044250582 0 3.0823425825 -0.5478679158 0.1901241558 0 3.5816081782 0.7435307884 0.2275431373 0 1.8376072165 -2.4251483663 -0.3675150008 0 0.3279295055 -2.2091407555 -0.3342783954 0 2.4653005931 -1.1345602102 -0.9000486077 0 2.3135622056 -3.6614827363 -1.1102115556 0 3.0085965541 -1.3540724235 1.3270574708 0 -0.3232679478 -1.8532099142 0.8511957951 0 -0.3975107277 -2.2436081708 -1.5294883393 0 -1.6721200133 -1.5154675819 0.8415151845 0 -1.7455918298 -1.8954593058 -1.5473753329 0 -2.3665085938 -1.5161191503 -0.3637159661 0 2.6141400761 1.7812217477 0.0929315535 0 3.0285729587 3.0122758815 -0.4255825125 0 1.2943913378 1.611420998 0.521124275 0 -4.0712657331 0.1158758777 0.0047789203 0 2.1236713763 4.0669998574 -0.5105620975 0 0.3962064445 2.6736393842 0.4236202312 0 0.8020561981 3.9052081872 -0.0889125721 0 -3.1872651036 1.1936949848 -0.0494739057 0 -5.3871420315 0.2877158033 0.430364807 0 -3.633911567 2.4558842024 0.3417911981 0 -5.8208466977 1.5561547636 0.8109281124 0 -4.9472915087 2.6449652274 0.7721857089 0 3.4015571383 -3.7278419699 -1.0570987539 0 2.0153058557 -3.6053275548 -2.1571076726 0 1.8683875829 -4.5485615949 -0.6579007304 0 0.2174822143 -1.8243347038 1.7874340531 0 0.0878073333 -2.5077084207 -2.4601863573 0 4.3727345451 0.8362926723 -0.4022708376 0 -2.176134245 -1.2252292574 1.7551647946 0 -2.3086140038 -1.8946064225 -2.4725580025 0 4.0523665569 3.1361089373 -0.7626709494 0 0.9600603711 0.6626327512 0.9219085466 0 2.4535637257 5.0165807 -0.9167269636 0 -0.6265593709 2.5310784353 0.7528885098 0 0.0990204684 4.7265882179 -0.162121676 0 -2.1681348344 1.0550621385 -0.3864974116 0 -6.0513769576 -0.567769445 0.4614304752 0 -2.9455955646 3.2928527875 0.3033132955 0 -6.8436571001 1.6899820105 1.1445003648 0 -5.2868124829 3.6285986945 1.074739941