Gaussian 16 GINC-DEPAZ21 APULGAR Optimization orthosulfamuron CONF437 gas EM64L-G16RevC.01 22-Mar-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 49 49 111 111 766 (5D, 7F) 6-311+G(d,p) 141 141 C1[X(C16H20N6O6S)] C1[X(C16H20N6O6S)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 404.27279999999973 0 1 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.5159,.9678,1.9964;1.8123,2.3601,2.1793;1.2476,.0985,3.1178;4.2051,1.0436,-1.1968;.8083,1.8393,-.8168;-5.7138,.0254,-1.2292;-3.4895,-1.1592,2.6707;2.7292,.3613,1.0717;2.8766,.5544,-2.9533;.1297,.7634,1.0728;-1.319,1.0944,-.7091;-3.5118,.5603,-.9723;-2.3881,-.0437,1.0128;2.6241,-.8566,.3814;2.9032,-.9058,-.9918;3.3648,.3229,-1.7117;2.2618,-2.0217,1.0516;2.8733,-2.135,-1.6431;2.1992,-3.2263,.3729;2.5194,-3.2934,-.9741;3.403,1.6878,-3.6829;1.599,.0765,-3.4295;-.0478,1.2786,-.1765;-2.4493,.5092,-.1876;-4.616,.0049,-.4954;-3.5033,-.5973,1.4776;-4.6832,-.606,.752;-5.6681,.6514,-2.5014;-2.2836,-1.1444,3.4235;3.2715,1.0789,.5956;2.0612,-1.9892,2.1123;3.1386,-2.1819,-2.6919;1.9257,-4.1239,.9115;2.5039,-4.2398,-1.4971;-.6643,.2849,1.5084;3.2736,1.5115,-4.7508;4.4609,1.8198,-3.4781;2.8824,2.6111,-3.4156;.9227,.9212,-3.5803;1.706,-.4495,-4.381;1.1312,-.5948,-2.7172;-5.59,-1.053,1.1288;-6.6706,.5572,-2.91;-4.9566,.1625,-3.1675;-5.4043,1.7065,-2.4244;-1.4768,-1.6716,2.9128;-2.5124,-1.6577,4.353;-1.9546,-.1294,3.6493;-1.4398,1.4963,-1.6262; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-3299223/Gau-7978.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-3299223/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfon #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization orthosulfamuron CONF437 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 32 16 16 16 16 16 16 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 1 4 5 6 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 17 17 18 18 19 19 20 21 21 21 22 22 22 25 26 27 28 28 28 29 29 29 2 3 8 10 16 23 25 28 26 29 14 30 16 21 22 23 35 23 24 49 24 25 24 26 15 17 16 18 19 31 20 32 20 33 34 36 37 38 39 40 41 27 27 42 43 44 45 46 47 48 1.4352 1.4441 1.6416 1.6782 1.2209 1.2072 1.3206 1.4187 1.319 1.4216 1.4039 1.0178 1.3541 1.4471 1.4448 1.363 1.0243 1.3904 1.3755 1.0086 1.3218 1.3248 1.3231 1.329 1.4021 1.3921 1.497 1.3914 1.384 1.08 1.3837 1.0828 1.3862 1.082 1.0814 1.0901 1.0856 1.0931 1.0925 1.0924 1.0849 1.3906 1.3851 1.079 1.0867 1.0904 1.0903 1.0908 1.0862 1.0906 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 2 2 2 3 3 8 25 26 1 1 14 16 16 21 1 1 23 23 23 24 24 24 8 8 15 14 14 16 4 4 9 14 14 19 15 15 20 17 17 20 18 18 19 9 9 9 36 36 37 9 9 9 39 39 40 5 5 10 11 11 12 6 6 12 7 7 13 25 25 26 6 6 6 43 43 44 7 7 7 46 46 47 1 1 1 1 1 1 6 7 8 8 8 9 9 9 10 10 10 11 11 11 12 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 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 3 8 10 8 10 10 28 29 14 30 30 21 22 22 23 35 35 24 49 49 25 26 15 17 17 16 18 18 9 15 15 19 31 31 20 32 32 20 33 33 19 34 34 36 37 38 37 38 38 39 40 41 40 41 41 10 11 11 12 13 13 12 27 27 13 27 27 26 42 42 43 44 45 44 45 45 46 47 48 47 48 48 121.5602 106.1145 111.0347 110.6287 101.5718 104.8014 118.5717 118.9148 122.8335 113.3784 114.9324 117.7132 124.3708 114.4883 124.4708 117.5913 117.7376 131.4837 113.8936 114.5685 116.1085 116.9065 119.811 120.5836 119.6001 120.231 119.0233 120.4411 122.2732 119.6006 118.036 120.2724 119.7365 119.9593 121.2466 119.1045 119.6478 120.5428 119.3002 120.1322 119.2359 120.1645 120.5966 108.9082 110.7674 111.4061 108.6785 108.643 108.3747 109.7029 111.0832 111.6857 108.225 107.5873 108.4296 124.708 120.4427 114.839 114.7747 118.9287 126.2962 119.1052 117.7107 123.1841 119.0117 118.6983 122.29 115.2141 122.4043 122.3815 105.6179 111.7769 111.808 109.4787 109.4879 108.6132 111.9933 105.6353 112.0387 109.1529 108.8803 109.0364 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 3 3 10 10 2 2 3 3 8 8 28 28 25 25 25 29 29 26 26 26 1 1 30 30 21 21 22 22 16 16 16 22 22 22 16 16 16 21 21 21 1 1 35 35 24 24 49 49 23 23 49 49 25 25 24 24 26 26 24 24 8 8 17 17 8 8 15 15 14 14 18 18 14 14 16 16 14 14 31 31 15 15 32 32 17 17 33 33 6 6 12 12 7 7 13 13 1 1 1 1 1 1 1 1 1 1 1 1 6 6 6 6 6 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 25 25 25 25 26 26 26 26 8 8 8 8 8 8 10 10 10 10 10 10 25 25 28 28 28 26 26 29 29 29 14 14 14 14 16 16 16 16 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 25 25 24 24 26 26 15 15 15 15 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 27 27 27 27 27 27 27 27 14 30 14 30 14 30 23 35 23 35 23 35 12 27 43 44 45 13 27 46 47 48 15 17 15 17 4 15 4 15 36 37 38 36 37 38 39 40 41 39 40 41 5 11 5 11 5 10 5 10 12 13 12 13 11 13 6 27 11 12 7 27 16 18 16 18 19 31 19 31 4 9 4 9 20 32 20 32 20 33 20 33 19 34 19 34 18 34 18 34 26 42 26 42 25 42 25 42 -162.3477 -16.7068 63.9523 -150.4069 -44.7812 100.8596 56.3751 -118.3524 -172.9975 12.275 -57.7793 127.4932 -0.3678 179.6077 -179.3836 61.6349 -60.3742 0.4706 -179.5465 -61.2083 -179.9245 61.4753 127.3379 -53.5077 -17.8221 161.3323 1.1102 -175.4182 -156.7934 26.6782 155.6075 36.1392 -84.5761 -44.3412 -163.8094 75.4752 112.0345 -128.3555 -7.1616 -46.5005 73.1094 -165.6966 6.9824 -174.1861 -178.2971 0.5344 -179.3432 1.771 -2.2157 178.8985 177.4172 -2.8055 0.305 -179.9177 -179.9624 0.2795 179.8298 -0.1443 179.9973 -0.2536 -179.9293 0.0885 2.4355 176.1259 -176.7273 -3.0369 -178.0516 -0.1012 1.1046 179.055 43.4462 -139.9295 -130.1541 46.4703 2.7661 -176.8603 176.4429 -3.1835 1.1857 179.3764 -176.7601 1.4305 -0.5109 -179.88 179.1136 -0.2555 -1.4896 177.8767 -179.6652 -0.2989 -179.967 -0.0924 0.0074 179.882 -179.96 0.1653 0.0222 -179.8524 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 795 A 766 A 1218 795 3206.7513868382 49 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= 766 RedAO= T EigKep= 1.09D-06 NBF= 766 NBsUse= 764 1.00D-06 EigRej= 8.16D-07 NBFU= 764 Berny optimization. local minimum Step number 57 out of a maximum of 240 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00163 0.00381 0.00586 0.00787 0.00927 0.01188 0.01253 0.01324 0.01401 0.01626 0.01766 0.01859 0.01940 0.02047 0.02158 0.02226 0.02241 0.02269 0.02290 0.02302 0.02311 0.02374 0.02418 0.02483 0.02569 0.02613 0.02684 0.02732 0.03027 0.03258 0.03814 0.03921 0.04469 0.05156 0.06850 0.07551 0.07571 0.07664 0.07712 0.08586 0.10203 0.10229 0.10754 0.10811 0.12166 0.12733 0.13660 0.14431 0.14467 0.14627 0.15621 0.15899 0.15951 0.15957 0.15991 0.15997 0.16000 0.16003 0.16014 0.16015 0.16043 0.16095 0.16106 0.16151 0.16371 0.16455 0.16924 0.19689 0.21515 0.21935 0.22558 0.23171 0.23579 0.23893 0.23994 0.24159 0.24593 0.24881 0.25019 0.25068 0.25238 0.25284 0.26025 0.27297 0.28224 0.29915 0.30831 0.32757 0.34288 0.34458 0.34516 0.34598 0.34661 0.34759 0.34778 0.34818 0.35139 0.35191 0.35273 0.35339 0.35610 0.35765 0.35799 0.35868 0.36123 0.36433 0.36782 0.37983 0.38934 0.39875 0.40794 0.41865 0.42688 0.43569 0.43795 0.44637 0.44913 0.45608 0.45887 0.46248 0.46352 0.47169 0.47841 0.48143 0.48763 0.49559 0.51406 0.55404 0.57259 0.58427 0.60167 0.60906 0.61714 0.64145 0.69185 0.92242 0.93256 0.97603 1.01267 1.02589 1.07422 -1.14119652e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 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 2.72647 2.75151 3.16319 3.23545 2.32950 2.29013 2.52936 2.71761 2.52037 2.72935 2.68227 1.93007 2.57826 2.76356 2.75594 2.61262 1.94160 2.66012 2.63326 1.90927 2.51969 2.52607 2.51681 2.53082 2.66932 2.64274 2.84253 2.64422 2.62632 2.04301 2.62766 2.04742 2.63301 2.04806 2.04731 2.06358 2.05455 2.07038 2.07055 2.06878 2.05082 2.63404 2.62827 2.03874 2.05595 2.06307 2.06233 2.05969 2.05507 2.06276 2.13274 1.86013 1.94053 1.90794 1.76789 1.83392 2.06343 2.06900 2.10483 1.95602 1.98980 2.04135 2.18462 1.99538 2.13648 1.95396 1.99487 2.23657 1.95232 1.97852 2.01637 2.03196 2.10221 2.09176 2.08921 2.08843 2.07073 2.11894 2.12037 2.07869 2.08305 2.10319 2.07224 2.10769 2.11864 2.07535 2.08919 2.09880 2.08480 2.09933 2.08433 2.09614 2.10264 1.89746 1.91732 1.92994 1.91585 1.90789 1.89538 1.90350 1.92738 1.94880 1.89188 1.89372 1.89742 2.18845 2.10304 1.99169 2.00346 2.06643 2.21323 2.07975 2.05143 2.15191 2.08087 2.06670 2.13562 2.01619 2.13344 2.13356 1.83193 1.93299 1.93442 1.92821 1.92858 1.90704 1.94499 1.82937 1.92856 1.92573 1.91081 1.92330 -2.81228 -0.39368 1.13384 -2.73074 -0.75143 1.66717 1.23568 -2.57976 -2.75573 -0.28798 -0.76999 1.69776 -0.00823 -3.13521 -3.13435 1.06766 -1.05199 0.04529 -3.09485 -1.06812 3.13210 1.06048 2.15468 -0.98215 -0.25108 2.89528 -0.00388 -3.09518 -2.75257 0.43932 2.72450 0.62775 -1.46404 -0.76771 -2.86446 1.32693 1.92540 -2.28058 -0.16724 -0.83232 1.24489 -2.92495 -0.53486 2.61078 -2.98846 0.15718 2.57074 -0.57468 -0.03209 3.10567 -2.57447 0.55557 0.02180 -3.13134 3.10681 -0.02210 3.14151 -0.01558 -3.07817 0.05033 3.10134 -0.04178 0.06982 3.10480 -3.07653 -0.04156 3.13429 -0.02013 -0.00257 3.12619 0.67641 -2.51426 -2.35553 0.73697 0.05585 -3.08025 3.08888 -0.04722 0.03408 -3.13130 -3.09442 0.02339 -0.02519 3.12970 3.11088 -0.01742 -0.02039 3.10786 -3.13800 -0.00974 -3.13587 0.00383 0.02098 -3.12250 -3.13377 0.00971 0.00933 -3.13037 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00000 0.00003 -0.00002 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 -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 0.00000 0.00000 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 -0.00001 -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 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 -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 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -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 0.00003 -0.00002 0.00001 0.00001 -0.00000 -0.00003 -0.00001 0.00001 0.00003 0.00000 0.00005 0.00002 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00003 0.00004 0.00004 0.00005 0.00003 0.00004 -0.00000 0.00006 -0.00000 0.00006 -0.00000 0.00006 0.00002 0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00003 0.00008 0.00008 0.00007 0.00001 0.00002 -0.00000 0.00001 0.00000 0.00004 0.00012 0.00016 0.00002 0.00002 0.00002 -0.00009 -0.00009 -0.00009 -0.00028 -0.00027 -0.00027 -0.00017 -0.00016 -0.00016 0.00014 0.00011 0.00007 0.00004 0.00013 0.00015 -0.00006 -0.00003 -0.00030 -0.00023 -0.00011 -0.00005 0.00005 -0.00002 -0.00001 -0.00001 -0.00007 0.00000 0.00002 0.00004 0.00003 0.00002 0.00002 0.00001 0.00000 0.00000 0.00001 0.00001 0.00004 0.00000 0.00006 0.00002 -0.00003 -0.00002 -0.00004 -0.00003 -0.00002 -0.00002 -0.00002 -0.00002 0.00002 0.00003 0.00001 0.00002 0.00000 -0.00000 0.00001 0.00000 0.00005 0.00001 0.00004 0.00000 -0.00004 -0.00000 -0.00006 -0.00002 0.00001 0.00000 0.00002 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00002 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00002 0.00001 -0.00001 0.00001 0.00001 0.00000 0.00004 -0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00001 -0.00001 -0.00006 -0.00004 -0.00003 -0.00002 -0.00004 0.00000 -0.00001 0.00001 -0.00002 0.00002 -0.00002 -0.00001 0.00003 0.00001 -0.00002 0.00001 -0.00000 -0.00002 0.00002 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00002 0.00003 -0.00002 0.00000 -0.00000 0.00001 -0.00000 -0.00002 0.00002 0.00000 0.00000 0.00000 -0.00001 0.00003 -0.00003 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00005 0.00006 0.00007 0.00008 0.00006 0.00006 0.00001 -0.00017 0.00002 -0.00016 0.00003 -0.00016 0.00005 0.00007 -0.00016 -0.00017 -0.00017 0.00010 0.00004 0.00003 0.00004 0.00004 -0.00009 -0.00005 -0.00008 -0.00004 0.00000 -0.00001 -0.00004 -0.00005 -0.00003 -0.00004 -0.00003 0.00000 -0.00001 -0.00000 -0.00008 -0.00005 -0.00005 -0.00012 -0.00008 -0.00009 -0.00007 -0.00016 0.00012 0.00003 -0.00024 -0.00015 -0.00004 0.00004 0.00011 0.00016 -0.00009 -0.00004 -0.00001 -0.00006 0.00006 0.00004 -0.00006 -0.00000 0.00003 0.00009 0.00015 0.00012 0.00011 0.00008 -0.00011 -0.00006 -0.00007 -0.00002 0.00000 0.00002 0.00003 0.00005 -0.00004 -0.00003 -0.00007 -0.00006 0.00002 0.00001 -0.00004 -0.00004 -0.00002 -0.00002 -0.00002 -0.00002 0.00003 0.00003 0.00003 0.00004 0.00002 -0.00003 0.00005 -0.00001 -0.00005 0.00001 -0.00011 -0.00006 0.00001 0.00000 0.00002 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 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 0.00001 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 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00002 0.00001 -0.00001 0.00002 0.00001 0.00001 0.00007 -0.00003 -0.00000 0.00004 0.00001 -0.00004 0.00000 0.00000 -0.00003 -0.00004 0.00002 0.00000 -0.00003 0.00000 -0.00000 0.00001 -0.00003 0.00002 -0.00002 -0.00001 0.00003 0.00002 -0.00002 -0.00000 -0.00000 -0.00002 0.00003 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00003 0.00004 -0.00002 0.00001 -0.00000 0.00000 -0.00000 -0.00003 0.00003 0.00000 0.00001 0.00000 -0.00001 0.00005 -0.00004 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00008 0.00010 0.00011 0.00013 0.00009 0.00011 0.00001 -0.00011 0.00002 -0.00010 0.00002 -0.00010 0.00007 0.00008 -0.00016 -0.00016 -0.00016 0.00009 0.00000 0.00011 0.00012 0.00012 -0.00008 -0.00003 -0.00009 -0.00004 0.00000 0.00003 0.00008 0.00010 -0.00001 -0.00002 -0.00002 -0.00009 -0.00010 -0.00009 -0.00036 -0.00031 -0.00033 -0.00029 -0.00024 -0.00026 0.00007 -0.00005 0.00020 0.00007 -0.00011 0.00000 -0.00010 0.00001 -0.00019 -0.00008 -0.00020 -0.00008 0.00004 -0.00008 0.00005 0.00003 -0.00013 0.00000 0.00005 0.00013 0.00018 0.00014 0.00013 0.00009 -0.00011 -0.00006 -0.00006 -0.00001 0.00005 0.00002 0.00009 0.00006 -0.00006 -0.00005 -0.00011 -0.00009 -0.00000 -0.00001 -0.00006 -0.00006 0.00000 0.00001 -0.00001 -0.00001 0.00003 0.00003 0.00004 0.00004 0.00007 -0.00002 0.00009 -0.00001 -0.00009 0.00001 -0.00017 -0.00008 2.72648 2.75151 3.16320 3.23545 2.32950 2.29013 2.52937 2.71761 2.52039 2.72935 2.68227 1.93006 2.57826 2.76356 2.75594 2.61262 1.94160 2.66010 2.63326 1.90928 2.51969 2.52607 2.51682 2.53084 2.66931 2.64273 2.84255 2.64422 2.62633 2.04301 2.62767 2.04742 2.63302 2.04807 2.04731 2.06358 2.05454 2.07038 2.07055 2.06877 2.05082 2.63404 2.62827 2.03874 2.05595 2.06307 2.06233 2.05968 2.05507 2.06277 2.13274 1.86011 1.94054 1.90793 1.76791 1.83393 2.06344 2.06907 2.10480 1.95602 1.98984 2.04136 2.18458 1.99538 2.13648 1.95392 1.99484 2.23660 1.95233 1.97849 2.01637 2.03196 2.10222 2.09172 2.08923 2.08841 2.07072 2.11897 2.12039 2.07867 2.08305 2.10318 2.07221 2.10772 2.11863 2.07535 2.08919 2.09879 2.08482 2.09933 2.08434 2.09614 2.10263 1.89746 1.91732 1.92995 1.91586 1.90789 1.89538 1.90351 1.92737 1.94877 1.89192 1.89370 1.89743 2.18845 2.10304 1.99169 2.00343 2.06646 2.21324 2.07975 2.05143 2.15190 2.08091 2.06666 2.13561 2.01620 2.13343 2.13356 1.83193 1.93299 1.93441 1.92821 1.92858 1.90704 1.94500 1.82938 1.92856 1.92572 1.91081 1.92330 -2.81220 -0.39358 1.13395 -2.73061 -0.75135 1.66727 1.23568 -2.57987 -2.75571 -0.28808 -0.76997 1.69766 -0.00816 -3.13513 -3.13451 1.06750 -1.05215 0.04537 -3.09484 -1.06800 3.13222 1.06060 2.15460 -0.98218 -0.25117 2.89524 -0.00388 -3.09515 -2.75249 0.43943 2.72449 0.62773 -1.46406 -0.76780 -2.86456 1.32684 1.92504 -2.28089 -0.16757 -0.83260 1.24465 -2.92521 -0.53479 2.61073 -2.98826 0.15725 2.57063 -0.57467 -0.03219 3.10569 -2.57466 0.55549 0.02160 -3.13143 3.10685 -0.02218 3.14155 -0.01555 -3.07830 0.05033 3.10138 -0.04165 0.07000 3.10494 -3.07640 -0.04147 3.13419 -0.02019 -0.00263 3.12618 0.67646 -2.51424 -2.35545 0.73704 0.05579 -3.08030 3.08878 -0.04732 0.03408 -3.13132 -3.09447 0.02332 -0.02519 3.12970 3.11087 -0.01743 -0.02036 3.10788 -3.13795 -0.00971 -3.13580 0.00380 0.02107 -3.12251 -3.13386 0.00972 0.00916 -3.13045 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000005 0.001382 0.000279 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.037665e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 1 4 5 6 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 17 17 18 18 19 19 20 21 21 21 22 22 22 25 26 27 28 28 28 29 29 29 2 3 8 10 16 23 25 28 26 29 14 30 16 21 22 23 35 23 24 49 24 25 24 26 15 17 16 18 19 31 20 32 20 33 34 36 37 38 39 40 41 27 27 42 43 44 45 46 47 48 1.4428 1.456 1.6739 1.7121 1.2327 1.2119 1.3385 1.4381 1.3337 1.4443 1.4194 1.0214 1.3644 1.4624 1.4584 1.3825 1.0275 1.4077 1.3935 1.0103 1.3334 1.3367 1.3318 1.3393 1.4125 1.3985 1.5042 1.3993 1.3898 1.0811 1.3905 1.0834 1.3933 1.0838 1.0834 1.092 1.0872 1.0956 1.0957 1.0948 1.0852 1.3939 1.3908 1.0789 1.088 1.0917 1.0913 1.0899 1.0875 1.0916 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 2 2 2 3 3 8 25 26 1 1 14 16 16 21 1 1 23 23 23 24 24 24 8 8 15 14 14 16 4 4 9 14 14 19 15 15 20 17 17 20 18 18 19 9 9 9 36 36 37 9 9 9 39 39 40 5 5 10 11 11 12 6 6 12 7 7 13 25 25 26 6 6 6 43 43 44 7 7 7 46 46 47 1 1 1 1 1 1 6 7 8 8 8 9 9 9 10 10 10 11 11 11 12 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 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 3 8 10 8 10 10 28 29 14 30 30 21 22 22 23 35 35 24 49 49 25 26 15 17 17 16 18 18 9 15 15 19 31 31 20 32 32 20 33 33 19 34 34 36 37 38 37 38 38 39 40 41 40 41 41 10 11 11 12 13 13 12 27 27 13 27 27 26 42 42 43 44 45 44 45 45 46 47 48 47 48 48 122.197 106.5775 111.1843 109.3171 101.2926 105.0759 118.2261 118.5449 120.598 112.0717 114.0074 116.961 125.1693 114.3269 122.4114 111.9536 114.2979 128.1461 111.86 113.3606 115.5296 116.4228 120.4477 119.8489 119.7029 119.6584 118.6439 121.4065 121.488 119.1004 119.35 120.5037 118.7304 120.7617 121.3889 118.9086 119.7018 120.2526 119.4505 120.2827 119.4231 120.1002 120.4722 108.7165 109.8544 110.5775 109.7698 109.3143 108.5976 109.0627 110.4309 111.6582 108.3967 108.5022 108.7141 125.3892 120.4951 114.1153 114.7896 118.3977 126.8089 119.1606 117.5385 123.2952 119.2249 118.4129 122.3622 115.5192 122.2368 122.2439 104.9617 110.7522 110.8341 110.478 110.4995 109.2653 111.4399 104.8154 110.4986 110.3363 109.4811 110.1969 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 3 10 10 2 2 3 3 8 8 28 28 25 25 25 29 29 26 26 26 1 1 30 30 21 21 22 22 16 16 16 22 22 22 16 16 16 21 21 21 1 1 35 35 24 24 49 49 23 23 49 49 25 25 24 24 26 26 24 24 8 8 17 17 8 8 15 15 14 14 18 18 14 14 16 16 14 14 31 31 15 15 32 32 17 17 33 33 6 6 12 12 7 7 13 1 1 1 1 1 1 1 1 1 1 1 1 6 6 6 6 6 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 25 25 25 25 26 26 26 8 8 8 8 8 8 10 10 10 10 10 10 25 25 28 28 28 26 26 29 29 29 14 14 14 14 16 16 16 16 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 25 25 24 24 26 26 15 15 15 15 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 27 27 27 27 27 27 27 14 30 14 30 14 30 23 35 23 35 23 35 12 27 43 44 45 13 27 46 47 48 15 17 15 17 4 15 4 15 36 37 38 36 37 38 39 40 41 39 40 41 5 11 5 11 5 10 5 10 12 13 12 13 11 13 6 27 11 12 7 27 16 18 16 18 19 31 19 31 4 9 4 9 20 32 20 32 20 33 20 33 19 34 19 34 18 34 18 34 26 42 26 42 25 42 25 -161.1318 -22.5561 64.9642 -156.4602 -43.054 95.5216 70.799 -147.8091 -157.8919 -16.5001 -44.1174 97.2745 -0.4714 -179.6344 -179.5851 61.1725 -60.2746 2.5947 -177.3216 -61.1986 179.456 60.7611 123.454 -56.2729 -14.3858 165.8873 -0.2225 -177.3407 -157.7104 25.1713 156.1025 35.9676 -83.8834 -43.9867 -164.1216 76.0273 110.3171 -130.6677 -9.5821 -47.6883 71.3269 -167.5876 -30.6453 149.5864 -171.2259 9.0057 147.2927 -32.9265 -1.8389 177.942 -147.5063 31.8321 1.249 -179.4127 178.007 -1.266 179.995 -0.8929 -176.3661 2.8837 177.6935 -2.3936 4.0005 177.8917 -176.2722 -2.3811 179.5819 -1.1534 -0.147 179.1177 38.7556 -144.0567 -134.9622 42.2255 3.2002 -176.4855 176.98 -2.7057 1.9527 -179.4105 -177.2969 1.3399 -1.4431 179.3185 178.2402 -0.9983 -1.1685 178.067 -179.7939 -0.5583 -179.6722 0.2194 1.2023 -178.9061 -179.5518 0.5566 0.5346 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0603362734 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.5159,.9678,1.9964;1.8123,2.3601,2.1793;1.2476,.0985,3.1178;4.2051,1.0436,-1.1968;.8083,1.8393,-.8169;-5.7138,.0254,-1.2292;-3.4895,-1.1592,2.6707;2.7292,.3613,1.0717;2.8766,.5544,-2.9533;.1297,.7634,1.0728;-1.3189,1.0944,-.7091;-3.5118,.5603,-.9723;-2.3881,-.0437,1.0128;2.6241,-.8566,.3814;2.9032,-.9058,-.9918;3.3648,.3229,-1.7117;2.2618,-2.0217,1.0516;2.8733,-2.135,-1.6431;2.1992,-3.2263,.3729;2.5194,-3.2933,-.9741;3.403,1.6878,-3.6829;1.599,.0765,-3.4295;-.0478,1.2786,-.1765;-2.4493,.5092,-.1876;-4.616,.0049,-.4954;-3.5033,-.5973,1.4776;-4.6832,-.606,.752;-5.6681,.6514,-2.5014;-2.2836,-1.1444,3.4235;3.2715,1.0789,.5956;2.0612,-1.9892,2.1123;3.1386,-2.1819,-2.6919;1.9257,-4.1239,.9115;2.5039,-4.2398,-1.4971;-.6643,.2849,1.5084;3.2736,1.5115,-4.7508;4.4609,1.8198,-3.4781;2.8824,2.611,-3.4156;.9227,.9212,-3.5803;1.706,-.4495,-4.381;1.1312,-.5948,-2.7172;-5.59,-1.053,1.1288;-6.6706,.5572,-2.91;-4.9566,.1625,-3.1675;-5.4043,1.7065,-2.4244;-1.4767,-1.6716,2.9128;-2.5124,-1.6577,4.353;-1.9546,-.1294,3.6493;-1.4398,1.4963,-1.6262; 0.000000 1.435158 0.000000 1.444065 2.512853 0.000000 4.175419 4.342433 5.315636 0.000000 3.028902 3.202526 4.324890 3.509387 0.000000 7.972521 8.585549 8.207480 9.971132 6.782237 0.000000 5.480200 6.382472 4.921511 8.889144 6.294859 4.643323 0.000000 1.641641 2.462220 2.539824 2.791059 3.072561 8.757334 6.598501 0.000000 5.149920 5.544075 6.302352 2.255993 3.239325 8.777709 8.665627 4.032299 0.000000 1.678182 2.570005 2.423606 4.673176 2.277868 6.323810 4.398681 2.630382 4.878369 0.000000 3.920672 4.444034 4.714217 5.545785 2.256467 4.552853 4.605792 4.482824 4.788613 2.320158 0.000000 5.852868 6.443399 6.292325 7.735247 4.508084 2.280648 4.028544 6.570116 6.688465 4.181354 2.272211 0.000000 4.151076 4.978164 4.203470 7.038110 4.136449 4.011474 2.281706 5.133582 6.618521 2.644662 2.324500 2.359697 0.000000 2.676740 3.773393 3.208595 2.932718 3.464175 8.537734 6.535180 1.403857 3.629665 3.053617 4.532455 6.441183 5.116805 0.000000 3.790068 4.681041 4.542997 2.353095 3.457568 8.670472 7.371914 2.427745 2.445436 3.839454 4.680553 6.580418 5.723630 1.402137 0.000000 4.193328 4.658306 5.277948 1.220862 3.104153 9.096341 8.269434 2.855267 1.354093 4.291062 4.851606 6.920287 6.375992 2.514093 1.497006 0.000000 3.222742 4.546795 3.129367 4.269358 4.528838 8.544148 6.036743 2.428435 4.801339 3.507548 5.062748 6.640513 5.053237 1.392066 2.414966 3.788038 0.000000 4.971525 5.995182 5.504349 3.475072 4.554310 8.864404 7.748974 3.690850 2.991513 4.827461 5.373694 6.963041 6.253809 2.407272 1.391382 2.507506 2.765544 0.000000 4.548953 5.883859 4.415203 4.971819 5.386081 8.703826 6.474106 3.693179 5.080905 4.548668 5.675972 6.983083 5.619788 2.407465 2.782548 4.277933 1.384029 2.389495 0.000000 5.290405 6.511912 5.464960 4.658328 5.412598 8.880587 7.344780 4.193517 4.341604 5.133976 5.835708 7.157202 6.212219 2.790342 2.418242 3.786296 2.405607 1.383694 1.386181 0.000000 6.027777 6.111300 7.309013 2.690585 3.869086 9.586530 9.796991 4.981977 1.447122 5.846868 5.611841 7.512170 7.654087 4.857895 3.770767 2.397974 6.121935 4.365216 6.484364 5.738486 0.000000 5.499246 6.059626 6.556785 3.565426 3.249386 7.636837 8.039442 4.649661 1.444818 4.785538 4.117180 5.691358 5.970398 4.055186 2.934019 2.475893 4.992196 3.115449 5.072216 4.269923 2.432075 0.000000 2.695007 3.190531 3.731365 4.379912 1.207202 5.897678 5.088701 3.179775 4.097227 1.362951 1.390447 3.626032 2.939363 3.465456 3.760985 3.862135 4.211186 4.726155 5.064078 5.303708 4.936660 3.839142 0.000000 4.550032 5.214349 4.976089 6.751680 3.574487 3.460655 3.469304 5.331431 6.001345 2.881747 1.375517 1.321784 1.323092 5.284754 5.594508 6.013432 5.489559 6.118868 5.989745 6.306022 6.917775 5.204376 2.521748 0.000000 6.688486 7.350100 6.888062 8.909676 5.735071 1.320640 3.556542 7.518893 7.904533 5.055292 3.478944 1.324832 2.690853 7.343680 7.590392 8.079195 7.335096 7.873104 7.592212 7.875338 8.791829 6.873095 4.753116 2.245784 0.000000 5.283119 6.123302 5.074023 8.322561 5.458169 3.549706 1.318954 6.318831 7.852548 3.900560 3.523483 2.709615 1.329011 6.230122 6.872922 7.628212 5.953718 7.263942 6.375817 7.039355 8.919085 7.111056 4.265640 2.260160 2.343791 0.000000 6.515646 7.281910 6.423961 9.247726 6.212634 2.320713 2.326542 7.482010 8.498564 5.014168 4.042773 2.388629 2.377320 7.320963 7.790002 8.467737 7.094105 8.073099 7.374100 7.878977 9.503476 7.577333 5.089233 2.667719 1.390574 1.385132 0.000000 8.481707 8.988051 8.927905 9.966731 6.796500 1.418677 5.897122 9.130426 8.557170 6.811870 4.724795 2.645039 4.857095 8.907562 8.841427 9.073304 9.091287 9.025294 9.229992 9.215646 9.206227 7.348585 6.114409 3.966651 2.355594 4.698686 3.624290 0.000000 4.575414 5.532279 3.756007 8.260646 6.036807 5.897646 1.421599 5.738128 8.377196 3.871668 4.798046 4.872124 2.652153 5.781287 6.815828 7.773543 5.201569 7.296995 5.808303 6.857553 9.532089 7.970533 4.881591 3.975219 4.703084 2.360882 3.631116 7.055800 0.000000 2.248727 2.505730 3.379223 2.021259 2.939421 9.229063 7.417965 1.017761 3.609075 3.193450 4.772245 6.981361 5.784906 2.052136 2.568009 2.429717 3.292595 3.936949 4.442295 4.705987 4.323596 4.472523 3.413741 5.802179 8.034656 7.034624 8.132648 9.470465 6.618136 0.000000 3.009096 4.356868 2.455873 4.974349 4.980628 8.699132 5.640075 2.655885 5.726672 3.519666 5.375322 6.860941 4.978950 2.143776 3.393870 4.654885 1.080025 3.845013 2.138910 3.381840 6.993242 5.932349 4.512747 5.645908 7.440512 5.770976 7.017857 9.380866 4.616307 3.630237 0.000000 5.876596 6.790998 6.521442 3.711689 5.011620 9.240012 8.586948 4.560740 2.761209 5.648161 5.876740 7.396263 6.988700 3.386196 2.138736 2.699326 3.848155 1.082848 3.371393 2.137644 4.003355 2.831124 5.334412 6.688694 8.351079 8.000702 8.690486 9.253212 8.238676 4.632325 4.927338 0.000000 5.222105 6.607703 4.812061 6.028543 6.308342 8.953305 6.419362 4.559377 6.142238 5.209361 6.354916 7.420034 5.938633 3.382900 3.864489 5.359688 2.133514 3.373420 1.081970 2.144284 7.554287 6.049391 5.853674 6.466428 7.862585 6.498595 7.488572 9.597775 5.736368 5.383334 2.453002 4.269337 0.000000 6.348178 7.586290 6.457238 5.558586 6.347614 9.262487 7.923424 5.274368 5.024236 6.105138 6.609712 7.713887 6.916512 3.871541 3.395569 4.648143 3.387369 2.141924 2.148706 1.081412 6.381394 4.814916 6.221515 6.985798 8.349409 7.629058 8.361598 9.576672 7.530855 5.766879 4.276557 2.462747 2.479764 0.000000 2.336188 3.300020 2.506063 5.621844 3.160912 5.749703 3.379064 3.422323 5.702403 1.024294 2.449679 3.786480 1.823431 3.658836 4.516238 5.157930 3.753822 5.320059 4.670959 5.394715 6.742483 5.435897 2.050934 2.472429 4.439501 2.973091 4.185332 6.422637 2.886661 4.117563 3.600662 6.179845 5.148038 6.288343 0.000000 6.993540 7.133158 8.247196 3.703743 4.654150 9.766482 10.389948 5.959936 2.074787 6.660171 6.131955 7.824490 8.227553 5.689360 4.484465 3.264576 6.868370 4.807764 7.060661 6.157794 1.090058 2.570832 5.657753 7.387720 9.089716 9.442789 9.903235 9.260271 10.235029 5.363843 7.799159 4.230659 8.101618 6.652491 7.495943 0.000000 6.274439 6.269980 7.536172 2.423249 4.519293 10.573718 10.482909 5.081981 2.094486 6.370692 6.449839 8.451561 8.399394 5.043045 4.004616 2.561709 6.333317 4.639838 6.738566 6.015297 1.085635 3.351463 5.614435 7.765036 9.725228 9.686604 10.363023 10.242839 10.094915 4.307903 7.177704 4.287264 7.811761 6.668794 7.313605 1.767716 0.000000 5.818671 5.701834 7.188239 3.021526 3.413353 9.239136 9.584326 5.022012 2.108019 5.580024 5.222714 7.145657 7.378119 5.148611 4.271236 2.893387 6.465511 5.066227 6.992409 6.399566 1.093113 2.840991 4.566538 6.577569 8.458421 8.661079 9.217144 8.819672 9.357599 4.311391 7.238382 4.854079 8.062180 7.124426 6.498903 1.773397 1.766828 0.000000 5.608303 6.002878 6.756230 4.058311 2.914199 7.097507 7.929141 5.021695 2.084524 4.722803 3.646788 5.157200 5.743640 4.663668 3.736353 3.132637 5.648674 4.110663 5.870150 5.206118 2.598055 1.092452 3.557451 4.801095 6.405725 6.890427 7.247554 6.683990 7.975009 4.793650 6.493992 3.915186 6.829003 5.785756 5.368264 2.691643 3.651945 2.592871 0.000000 6.535684 7.137360 7.532702 4.314377 4.329790 8.075430 8.787639 5.606741 2.101518 5.805081 5.001638 6.313735 6.783718 4.867068 3.623231 3.236292 5.682689 3.420421 5.527478 4.511719 2.816962 1.092408 4.872309 5.980734 7.434410 7.840968 8.197091 7.689013 8.792573 5.436232 6.682756 2.811881 6.446693 4.829002 6.390772 2.537643 3.681707 3.418031 1.770107 0.000000 4.980685 5.759394 5.877156 3.800646 3.104861 7.032272 7.120284 4.221734 2.103066 4.148663 3.590119 5.092708 5.157695 3.449386 2.492724 2.615810 4.185402 2.561407 4.196901 3.499638 3.362178 1.084888 3.369656 4.520745 6.190746 6.250951 6.770641 6.915870 7.047753 4.284445 5.112048 2.559197 5.123790 4.081485 4.674724 3.627951 4.182908 3.719159 1.756891 1.766261 0.000000 7.438445 8.218730 7.213539 10.283438 7.286258 2.595773 2.607951 8.438751 9.535779 6.001487 5.121652 3.366982 3.359263 8.250423 8.755241 9.494783 7.911730 8.971220 8.122046 8.672049 10.561225 8.586960 6.152756 3.746695 2.169338 2.164168 1.078989 4.011148 4.025749 9.129954 7.770798 9.594896 8.121853 9.086385 5.118277 10.941201 11.423576 10.288772 8.275821 9.162588 7.757318 0.000000 9.552981 10.055407 9.962049 11.020550 7.871397 2.005885 6.649132 10.210169 9.547288 7.883469 5.811436 3.705812 5.838640 9.961095 9.873082 10.109421 10.106044 9.996958 10.186587 10.150387 10.166255 8.299781 7.200949 5.023245 3.218194 5.533122 4.325859 1.086671 7.890179 10.554902 10.389999 10.186814 10.507798 10.448835 7.461342 10.158018 11.217278 9.784336 7.631541 8.564084 7.888710 4.480221 0.000000 8.319036 8.901418 8.831767 9.412557 6.447546 2.085505 6.163137 8.779537 7.845888 6.649130 4.488263 2.657932 4.910658 8.432040 8.225016 8.449295 8.641488 8.301146 8.673155 8.523112 8.513205 6.561324 5.855553 3.909740 2.698267 4.926011 4.003411 1.090375 7.231449 9.094010 9.041831 8.441236 9.076188 8.822015 6.348383 8.488926 9.567255 8.216226 5.942420 6.799719 6.151157 4.509604 1.777634 0.000000 8.244852 8.584924 8.806188 9.710160 6.418595 2.085790 6.151373 8.954615 8.377370 6.613976 4.472921 2.646494 4.896434 8.882383 8.825589 8.906154 9.205973 9.158925 9.485280 9.480825 8.896784 7.260340 5.824780 3.894677 2.690287 4.913897 3.994579 1.090260 7.215556 9.207770 9.485408 9.390023 9.942360 9.937623 6.320984 8.986413 9.921977 8.394644 6.479520 7.683218 6.934966 4.502678 1.777641 1.771004 0.000000 4.094192 5.254580 3.255343 7.519639 5.608782 6.163514 2.090979 5.021172 7.636631 3.449042 4.560061 4.921092 2.662855 4.887697 5.917513 6.986054 4.190865 6.316211 4.730853 5.805811 8.865771 7.262344 4.504411 3.913427 4.927661 2.705778 4.010762 7.230341 1.090785 5.956596 3.641246 7.278415 4.647099 6.472103 2.541775 9.561863 9.396262 8.797303 7.391951 8.051242 6.297433 4.526020 8.114779 7.241779 7.437962 0.000000 5.354846 6.290535 4.329854 9.122658 7.069903 6.651488 2.008241 6.505207 9.344365 4.858241 5.884150 5.854665 3.711776 6.542167 7.646056 8.674409 5.815951 8.073916 6.364103 7.508214 10.524319 8.971023 5.934027 5.031597 5.540444 3.220942 4.334254 7.891330 1.086175 7.420332 5.103811 9.046586 6.133795 8.127401 3.909111 11.242836 11.047475 10.376787 9.021556 9.774298 8.024535 4.498111 8.657244 8.114470 8.100224 1.773984 0.000000 3.997518 4.748458 3.253962 7.924804 5.608538 6.160797 2.091417 5.368641 8.209883 3.432169 4.571346 4.925408 2.673249 5.672097 6.763229 7.565754 5.301572 7.439150 6.130230 7.169599 9.261082 7.923385 4.500557 3.921056 4.927464 2.708149 4.008360 7.227103 1.090648 6.172291 4.684833 8.388380 6.205501 7.953523 2.533760 10.029363 9.785577 8.989950 7.851736 8.831028 7.090165 4.519142 8.107836 7.454235 7.222242 1.774615 1.772588 0.000000 4.705137 5.079800 5.628621 5.679266 2.413840 4.537499 5.451327 5.093804 4.612952 3.207016 1.008589 2.365741 3.199279 5.106996 5.003396 4.946525 5.766094 5.638167 6.288181 6.248233 5.264899 3.808070 2.021544 2.015676 3.686610 4.274919 4.538159 4.399809 5.760657 5.225550 6.195293 5.968788 7.025156 6.962096 3.448834 5.654986 6.192911 4.808921 3.119377 4.611943 3.488893 5.595848 5.467295 4.064754 4.049535 5.535343 6.844659 5.544280 0.000000 C16H20N6O6S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.1623,-2.0194,-1.3689;-1.4329,-1.9661,-2.7773;-.7178,-3.2358,-.7302;-4.3185,.6714,-.8869;-.9078,.9856,-1.6512;5.4777,2.0314,.3809;3.8966,-2.3216,.7163;-2.5026,-1.4319,-.6249;-3.279,2.4795,-.0268;.0631,-.9521,-.9502;1.2135,1.0618,-.8859;3.3405,1.549,-.2524;2.5442,-.6656,-.0805;-2.5012,-.989,.7073;-2.9916,.2873,1.0181;-3.5658,1.1565,-.057;-2.0331,-1.8128,1.7271;-3.0583,.6786,2.3516;-2.072,-1.3852,3.0428;-2.5987,-.1441,3.3648;-3.9184,3.3293,-1.0083;-2.0895,3.0429,.5691;.0405,.3867,-1.2048;2.4142,.6155,-.3848;4.5083,1.1477,.2276;3.721,-1.0531,.4004;4.7728,-.1704,.5829;5.2305,3.3799,.0162;2.8234,-3.2333,.5217;-3.116,-.9124,-1.2491;-1.6691,-2.8021,1.492;-3.4843,1.6435,2.5967;-1.7134,-2.0423,3.824;-2.6608,.1769,4.3957;.9178,-1.3461,-.5458;-3.9569,4.3479,-.6221;-4.9318,2.9939,-1.2061;-3.3666,3.3339,-1.9519;-1.4491,3.4606,-.2112;-2.3416,3.8429,1.2688;-1.5129,2.2924,1.0994;5.7295,-.4839,.971;6.1571,3.9114,.2154;4.4258,3.8178,.6074;4.9772,3.4739,-1.04;1.949,-2.9681,1.1174;3.1973,-4.1995,.8481;2.5291,-3.3013,-.5263;1.1874,2.0479,-1.0962; 0.2206459 0.1083598 0.0930086 -89.09796 -19.19074 -19.19019 -19.12896 -19.12798 -19.11636 -19.09506 -14.38154 -14.36468 -14.35594 -14.35251 -14.33993 -14.33361 -10.33613 -10.31750 -10.30533 -10.30304 -10.28002 -10.24146 -10.23968 -10.23876 -10.21209 -10.20006 -10.19936 -10.19373 -10.19349 -10.19111 -10.18718 -10.18644 -8.15680 -6.12005 -6.11895 -6.11860 -1.15727 -1.12865 -1.12359 -1.09465 -1.05649 -1.04136 -1.03461 -0.96773 -0.96242 -0.95168 -0.93935 -0.92139 -0.87320 -0.82420 -0.78541 -0.76976 -0.76704 -0.73358 -0.73151 -0.72059 -0.71254 -0.69556 -0.66074 -0.64519 -0.64366 -0.61327 -0.60122 -0.59373 -0.57815 -0.57308 -0.55358 -0.54270 -0.53757 -0.52804 -0.52222 -0.52045 -0.50992 -0.50053 -0.49795 -0.49616 -0.48939 -0.48477 -0.48081 -0.47050 -0.46442 -0.46147 -0.45405 -0.44921 -0.44775 -0.44115 -0.42350 -0.41706 -0.41560 -0.41082 -0.39579 -0.39330 -0.39088 -0.38908 -0.38451 -0.37941 -0.37907 -0.37598 -0.36846 -0.35885 -0.35305 -0.34836 -0.33233 -0.32914 -0.31358 -0.31050 -0.30780 -0.30121 -0.29795 -0.28268 -0.26771 -0.25932 -0.25379 -0.24691 -0.04889 -0.04747 -0.03482 -0.03133 -0.01791 -0.00295 -0.00274 0.00803 0.01130 0.01412 0.01690 0.02205 0.02441 0.02588 0.02999 0.03216 0.03540 0.04028 0.04293 0.04545 0.04832 0.05153 0.05720 0.05943 0.06148 0.06259 0.06779 0.07036 0.07482 0.07838 0.08076 0.08384 0.08729 0.09033 0.09258 0.09383 0.09839 0.09951 0.10011 0.10440 0.10631 0.10873 0.11220 0.11730 0.11963 0.12327 0.12623 0.12899 0.13093 0.13378 0.13519 0.13706 0.13882 0.14082 0.14469 0.14521 0.14750 0.15192 0.15271 0.15471 0.15903 0.16087 0.16153 0.16455 0.16817 0.17182 0.17415 0.17981 0.18129 0.18409 0.18631 0.18842 0.19224 0.19333 0.19607 0.19753 0.19935 0.20184 0.20323 0.20634 0.21100 0.21189 0.21564 0.21626 0.22004 0.22096 0.22237 0.22584 0.22883 0.23367 0.23693 0.23796 0.24228 0.24448 0.24657 0.24940 0.25034 0.25191 0.25432 0.25577 0.26154 0.26259 0.26596 0.26776 0.26781 0.27441 0.27577 0.27626 0.27854 0.27980 0.28504 0.29079 0.29149 0.29335 0.30010 0.30144 0.30227 0.30484 0.30763 0.30901 0.31300 0.31568 0.31758 0.31830 0.32094 0.32473 0.33045 0.33217 0.33574 0.33937 0.34258 0.34329 0.34840 0.35082 0.35198 0.35371 0.36063 0.36124 0.36646 0.37178 0.37308 0.37570 0.37703 0.38098 0.38531 0.39061 0.39809 0.39970 0.40366 0.40662 0.41115 0.41337 0.41701 0.42123 0.42392 0.42791 0.42950 0.43335 0.43810 0.44485 0.44794 0.45069 0.45546 0.45962 0.46815 0.47225 0.48063 0.48550 0.49511 0.50454 0.50946 0.51154 0.51381 0.51998 0.52700 0.53042 0.53848 0.54270 0.54423 0.54721 0.55602 0.55888 0.56445 0.56827 0.56901 0.57178 0.57802 0.58487 0.58903 0.59002 0.60264 0.60502 0.61014 0.61492 0.61796 0.62361 0.63072 0.63234 0.63507 0.64556 0.64768 0.65327 0.65567 0.66555 0.67153 0.67457 0.67885 0.68193 0.68759 0.69408 0.70024 0.70859 0.70977 0.71385 0.72478 0.72980 0.73208 0.73348 0.73557 0.74060 0.74732 0.74981 0.75095 0.75808 0.76001 0.76644 0.77142 0.77311 0.78136 0.78389 0.79206 0.79753 0.80524 0.81794 0.82343 0.82968 0.83462 0.84599 0.85099 0.85833 0.86331 0.87180 0.87588 0.88378 0.88640 0.89567 0.90515 0.90657 0.91409 0.91899 0.92631 0.92815 0.93517 0.94326 0.94446 0.95679 0.95989 0.96611 0.97323 0.97607 0.98052 0.99010 0.99725 1.00380 1.00576 1.01086 1.01534 1.01901 1.02130 1.03282 1.03645 1.04790 1.05465 1.05684 1.06359 1.07259 1.07479 1.07841 1.09007 1.10196 1.10556 1.11374 1.11963 1.12957 1.13436 1.13628 1.15034 1.15124 1.16532 1.17351 1.18100 1.18209 1.18674 1.19702 1.20288 1.20840 1.21228 1.22142 1.22379 1.22539 1.23725 1.24886 1.25423 1.25758 1.27199 1.27843 1.28130 1.29114 1.30039 1.30443 1.31141 1.32359 1.32541 1.33353 1.33792 1.34207 1.35119 1.35428 1.36086 1.37570 1.38013 1.39604 1.40814 1.42708 1.43072 1.44181 1.44430 1.44864 1.45977 1.48161 1.49889 1.50189 1.50657 1.50916 1.51364 1.52531 1.52744 1.53085 1.53711 1.53850 1.54257 1.55032 1.56740 1.57302 1.57970 1.58502 1.58810 1.59279 1.60276 1.60599 1.61754 1.62194 1.62464 1.63806 1.64854 1.65076 1.65745 1.66130 1.66433 1.66763 1.67813 1.67834 1.68501 1.69008 1.69360 1.70266 1.70722 1.71174 1.72408 1.72711 1.73646 1.74108 1.74769 1.75324 1.76005 1.76600 1.77526 1.79616 1.80064 1.80496 1.80975 1.82060 1.82789 1.83306 1.84340 1.85444 1.86160 1.86804 1.88491 1.90172 1.91191 1.91469 1.92034 1.92406 1.93518 1.94293 1.95301 1.96134 1.96859 1.97720 1.98089 1.98174 1.98305 1.99307 2.01583 2.02224 2.02897 2.04082 2.04663 2.05154 2.07624 2.08274 2.08706 2.09351 2.09971 2.10273 2.11677 2.12588 2.13466 2.14277 2.15392 2.16651 2.17290 2.17921 2.18971 2.20750 2.21362 2.21557 2.22386 2.24173 2.26500 2.27097 2.28921 2.29822 2.31562 2.32309 2.34417 2.36767 2.37675 2.37972 2.40509 2.42138 2.42367 2.42638 2.44345 2.44607 2.45200 2.47024 2.47297 2.48095 2.49394 2.49779 2.49935 2.51087 2.51570 2.52460 2.52898 2.53825 2.54301 2.54766 2.55796 2.56858 2.58449 2.59176 2.59457 2.59866 2.62843 2.64696 2.65437 2.66873 2.67530 2.67584 2.68117 2.68954 2.69538 2.69835 2.70326 2.71937 2.73393 2.73997 2.74125 2.74914 2.75336 2.76643 2.77003 2.78129 2.78449 2.79551 2.80472 2.80628 2.81476 2.82555 2.83354 2.83802 2.84393 2.84879 2.85259 2.85914 2.86217 2.87162 2.87807 2.88111 2.89191 2.90374 2.91268 2.92172 2.92484 2.93269 2.94663 2.94916 2.96256 2.97539 2.97707 2.99057 2.99641 3.01679 3.02311 3.03632 3.04412 3.05007 3.05363 3.06404 3.07670 3.08360 3.09583 3.10799 3.13106 3.13337 3.15023 3.15751 3.19038 3.19697 3.21651 3.23010 3.23179 3.24740 3.27825 3.32296 3.36193 3.36971 3.39018 3.40424 3.40905 3.42562 3.43296 3.45823 3.46274 3.48769 3.49708 3.51955 3.54285 3.57048 3.58360 3.60209 3.60548 3.61342 3.63997 3.64442 3.68579 3.70060 3.72880 3.75070 3.75762 3.76787 3.77909 3.78534 3.80729 3.80885 3.82488 3.84683 3.89413 3.90193 3.90815 3.92215 3.94069 3.96824 3.97801 3.98423 4.01104 4.03671 4.04765 4.07740 4.08314 4.08432 4.09811 4.18160 4.19007 4.29612 4.30232 4.38793 4.43947 4.45056 4.59644 4.71551 4.76187 4.85333 4.88662 4.91853 4.98270 4.98766 4.99530 5.02210 5.06715 5.08317 5.09314 5.11016 5.15335 5.18479 5.19812 5.23990 5.28526 5.28797 5.34201 5.36776 5.37471 5.41081 5.79556 5.82533 5.85649 5.88751 8.23789 17.38277 17.44989 17.58904 23.62883 23.73892 23.88585 23.89923 23.90758 23.91822 23.93028 23.94436 23.94502 23.96943 23.98837 24.00239 24.07752 24.10799 24.11162 24.20717 35.55450 35.57986 35.60107 35.62067 35.70096 35.74739 49.88776 49.94035 49.94383 49.97599 50.04981 50.06445 189.35577 1-A. 5.1201 5.2736 5.0841 8.9373 -181.8745 -161.6016 -181.8265 -5.3506 -13.0729 -7.5160 -6.7736 13.4992 -6.7256 -5.3506 -13.0729 -7.5160 110.4878 74.6190 33.1662 41.5110 67.1149 4.1317 9.7772 10.0805 13.0698 -0.4328 -10264.9792 -3900.5810 -2120.8989 137.5232 -15.2463 -31.8902 -77.0538 -55.6509 -49.2382 -2001.7057 -2047.9204 -1046.3556 -0.2365 7.1462 -33.0152 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0435,.9931,2.2275;2.9658,2.0887,2.4026;1.5921,.1732,3.3429;3.788,.2957,-1.4697;1.2908,2.5152,-.3681;-4.0592,-1.1545,-1.8592;-2.5305,-1.5418,2.5413;2.6938,.0061,1.0423;2.1179,.6624,-2.9578;.5521,1.5364,1.5857;-.8485,1.7425,-.2795;-2.4659,.3167,-1.0724;-1.7223,.1385,1.1848;1.8775,-.9269,.3511;1.7868,-.8924,-1.0581;2.6302,.0814,-1.8347;1.1531,-1.8839,1.0689;1.0064,-1.8578,-1.7039;.3429,-2.7984,.4065;.2754,-2.7973,-.9852;3.0032,1.5546,-3.7055;.6985,.8585,-3.2294;.4223,1.9731,.2803;-1.7197,.684,-.0302;-3.2772,-.7246,-.8616;-2.5194,-.9234,1.3596;-3.3437,-1.4097,.3505;-3.9964,-.4634,-3.1188;-1.72,-1.0044,3.6091;3.3505,.5082,.4425;1.2454,-1.9054,2.1458;.9797,-1.8709,-2.7869;-.2185,-3.5265,.9803;-.3307,-3.5285,-1.5064;-.2391,.9753,1.9245;2.6595,1.6022,-4.7409;4.0219,1.176,-3.6732;2.9906,2.561,-3.2728;.469,1.9287,-3.1785;.4481,.4988,-4.2326;.0771,.3382,-2.5077;-3.9926,-2.2591,.4965;-4.7112,-.9781,-3.7574;-2.9925,-.5235,-3.5434;-4.2753,.5851,-3.0005;-.6621,-1.0086,3.3471;-1.9025,-1.6629,4.4551;-2.0314,.0137,3.85;-.9162,2.1039,-1.2206; 0.000000 1.442788 0.000000 1.456036 2.537789 0.000000 4.147207 4.345762 5.291342 0.000000 3.101695 3.265636 4.398521 3.517916 0.000000 7.652207 8.833585 7.794942 7.989536 6.656783 0.000000 5.238855 6.588577 4.536449 7.706336 6.286982 4.674508 0.000000 1.673886 2.502324 2.556245 2.755263 3.202107 7.441017 5.651209 0.000000 5.196413 5.611355 6.341508 2.266717 3.289934 6.531827 7.530361 4.094337 0.000000 1.712126 2.607365 2.455145 4.620123 2.306664 6.353940 4.459989 2.687770 4.884542 0.000000 3.900104 4.675800 4.641255 5.000716 2.276317 4.603982 4.644674 4.160638 4.140011 2.341636 0.000000 5.628650 6.687261 5.998530 6.266533 4.409370 2.306949 4.064071 5.584912 4.968488 4.202571 2.297313 0.000000 3.999880 5.221602 3.955213 6.118407 4.139955 4.049548 2.305774 4.420436 5.673048 2.699648 2.341109 2.383194 0.000000 2.689851 3.806208 3.200453 2.908591 3.565078 6.338884 4.960417 1.419395 3.678650 3.057646 3.867193 4.736895 3.845695 0.000000 3.796950 4.717410 4.532398 2.363435 3.511999 5.906399 5.658299 2.458047 2.477079 3.796509 3.807119 4.421250 4.290411 1.412545 0.000000 4.204432 4.700720 5.281438 1.232716 3.141438 6.802634 6.958203 2.878712 1.364358 4.258467 4.156889 5.158187 5.297678 2.522040 1.504204 0.000000 3.226812 4.565740 3.097660 4.258807 4.629865 6.022737 3.981697 2.438510 4.860920 3.510961 4.356101 4.746008 3.517339 1.398477 2.430774 3.804541 0.000000 4.965806 6.023065 5.471554 3.525570 4.581302 5.116486 5.534489 3.723315 3.026433 4.748497 4.293227 4.145330 4.446983 2.418296 1.399260 2.532624 2.776745 0.000000 4.536918 5.894709 4.360432 4.996175 5.452752 5.216673 3.793783 3.714290 5.142565 4.497215 4.744469 4.447454 3.673739 2.420820 2.804003 4.306651 1.389791 2.403828 0.000000 5.274014 6.526004 5.412046 4.705290 5.443754 4.717033 4.678156 4.221223 4.388116 5.046507 4.729801 4.149536 4.161574 2.801930 2.432733 3.814891 2.413317 1.390497 1.393330 0.000000 6.036326 6.131542 7.319789 2.683153 3.872159 7.786210 8.901205 5.003544 1.462411 5.831339 5.158342 6.194903 6.946306 4.886778 3.804711 2.410260 6.167664 4.431452 6.552339 5.811995 0.000000 5.621833 6.194626 6.668048 3.599709 3.358948 5.344668 7.034817 4.791179 1.458383 4.864738 3.446236 3.867803 5.085686 4.171024 2.994050 2.506099 5.118809 3.130523 5.168996 4.310450 2.454113 0.000000 2.716665 3.314687 3.739947 4.147784 1.211885 5.868808 5.117153 3.099938 3.883099 1.382537 1.407674 3.593762 2.963634 3.245422 3.444468 3.595385 4.003982 4.353575 4.773761 4.937542 4.766874 3.692772 0.000000 4.399412 5.463183 4.754644 5.705971 3.539913 3.492616 3.496277 4.592323 4.826920 2.915318 1.393461 1.333361 1.331841 3.959902 3.979636 4.747793 4.006885 4.085779 4.070874 4.124519 6.047486 4.014147 2.519215 0.000000 6.387731 7.585855 6.495660 7.164345 5.621983 1.338482 3.578402 6.309677 5.951929 5.075944 3.510563 1.336738 2.711161 5.299327 5.070590 6.041039 4.969748 4.510293 4.360484 4.114851 7.261264 4.890726 4.718858 2.258545 0.000000 5.024577 6.344167 4.694689 7.019580 5.415433 3.575631 1.333723 5.304928 6.531457 3.941627 3.547689 2.730455 1.339254 4.511116 4.938597 6.142615 3.807138 4.763311 3.551999 4.101245 7.892720 5.881274 4.267101 2.270427 2.355340 0.000000 6.190243 7.500710 5.985178 7.555326 6.115570 2.336575 2.340611 6.239807 6.713283 5.038179 4.069344 2.403209 2.392075 5.243543 5.345471 6.533473 4.578500 4.831635 3.939924 4.099674 8.094525 5.856625 5.062700 2.676890 1.393872 1.390818 0.000000 8.196671 9.245127 8.566794 7.993318 6.662856 1.438096 5.945433 7.892717 6.219249 6.842568 4.778802 2.671854 4.904575 6.838006 6.154357 6.771880 6.787642 5.382802 6.058827 5.314810 7.308326 4.878791 6.084037 4.004906 2.383357 4.738077 3.654741 0.000000 4.479151 5.742815 3.525271 7.604149 6.104971 5.949516 1.444307 5.204949 7.786704 3.963944 4.840110 4.921178 2.680189 4.854223 5.838984 7.052559 3.934652 6.032390 4.210864 5.320179 9.075286 7.488991 4.953339 4.011874 4.742407 2.388682 3.663275 7.123158 0.000000 2.264926 2.547186 3.408334 1.973064 2.987886 7.935061 6.572160 1.021350 3.620063 3.192969 4.435840 6.013470 5.140159 2.058512 2.580431 2.426190 3.307967 3.962239 4.469893 4.735048 4.291986 4.542913 3.278196 5.095248 6.866341 6.111151 6.964144 8.222158 6.166494 0.000000 3.007457 4.356401 2.423566 4.937763 5.085586 6.688967 3.813900 2.639919 5.779430 3.555344 4.855312 5.391472 3.729390 2.139640 3.403602 4.659312 1.081113 3.857401 2.153442 3.397054 7.021309 6.068840 4.381759 4.497976 5.558122 3.969372 4.952690 7.567835 3.427371 3.627387 0.000000 5.871895 6.823084 6.490619 3.783616 5.018546 5.173401 6.389004 4.596138 2.782555 5.559900 4.763046 4.426895 5.207070 3.397666 2.144184 2.728061 3.859702 1.083448 3.385745 2.144825 4.083161 2.779328 4.949239 4.627546 4.810646 5.507743 5.361728 5.182026 6.996354 4.659358 4.940006 0.000000 5.205654 6.610056 4.748441 6.055023 6.371664 5.332901 3.423590 4.578667 6.205991 5.156898 5.454063 4.902475 3.966817 3.398057 3.887744 5.390325 2.141791 3.389633 1.083789 2.153818 7.625793 6.147394 5.580825 4.582901 4.538622 3.494853 3.826859 6.360660 3.940382 5.413418 2.475756 4.285835 0.000000 6.326515 7.596125 6.396574 5.620484 6.360193 4.434134 5.016971 5.304482 5.066202 5.999549 5.436696 4.419607 4.756752 3.885230 3.410849 4.680399 3.396898 2.149005 2.155485 1.083389 6.464406 4.824313 5.833278 4.674829 4.118219 4.448723 4.125035 5.043031 5.871181 5.800386 4.296260 2.470723 2.489276 0.000000 2.302684 3.426327 2.451222 5.310339 3.157136 5.783206 3.459347 3.212415 5.430470 1.027452 2.411968 3.791257 1.856708 3.251823 4.060621 4.812832 3.293233 4.768926 4.109011 4.792034 6.522612 5.239742 2.033734 2.469387 4.458928 3.020630 4.219559 6.451510 2.991740 3.911474 3.248257 5.637714 4.599819 5.662544 0.000000 7.022091 7.166619 8.278250 3.698807 4.672107 7.813106 9.478993 5.999567 2.087102 6.668649 5.677142 6.432777 7.513810 5.739017 4.532955 3.280247 6.940860 4.891629 7.157316 6.256582 1.092002 2.585201 5.509578 6.497073 7.463771 8.391458 8.428097 7.155421 9.782527 5.342451 7.856837 4.324652 8.204791 6.762240 7.295344 0.000000 6.226285 6.234113 7.492379 2.384357 4.491808 8.603818 9.430821 5.036778 2.097782 6.310715 5.963151 7.042327 7.594290 5.021517 4.014077 2.552507 6.330895 4.709094 6.780443 6.086775 1.087218 3.367866 5.405833 6.817644 8.049506 8.516207 8.782289 8.202986 9.526622 4.223243 7.145988 4.395942 7.858081 6.765569 7.037786 1.782601 0.000000 5.797303 5.695073 7.171086 3.003074 3.365800 8.093336 9.006572 5.023536 2.113114 5.531739 4.936402 6.296968 6.924600 5.151379 4.275481 2.889039 6.479418 5.091557 7.019224 6.427762 1.095596 2.855472 4.423376 6.018687 7.476224 7.997506 8.307688 7.615059 9.069849 4.259892 7.235684 4.890959 8.089738 7.157730 6.321101 1.784435 1.772607 0.000000 5.707829 6.116252 6.846250 4.074608 2.986267 5.634752 7.331870 5.144083 2.090741 4.780967 3.189703 3.955688 5.200447 4.753539 3.767094 3.144737 5.748331 4.098832 5.934001 5.213652 2.615379 1.095689 3.459385 4.031284 5.142119 6.136689 6.175321 5.066101 7.711401 4.840684 6.606862 3.853711 6.893946 5.763341 5.239275 2.710419 3.665337 2.601402 0.000000 6.672513 7.272704 7.668255 4.339265 4.439636 5.355557 7.676004 5.754166 2.107133 5.910946 4.342202 4.302494 5.847114 5.008540 3.715425 3.268874 5.854838 3.501323 5.692337 4.630214 2.814403 1.094750 4.747662 4.732221 5.170902 6.488561 6.246975 4.681947 8.273600 5.502695 6.862889 2.826299 6.619741 4.925192 6.213559 2.523140 3.680120 3.411432 1.776549 0.000000 5.168973 5.959900 6.045825 3.853611 3.284885 4.444902 5.985481 4.422737 2.114922 4.291509 2.791688 2.920134 4.112467 3.607622 2.557136 2.652849 4.345973 2.516401 4.289667 3.491214 3.387708 1.085247 3.250376 3.079948 3.884625 4.825922 4.788126 4.196358 6.515187 4.409964 5.296603 2.402736 5.214354 4.015050 4.488867 3.640609 4.197876 3.743607 1.770026 1.771615 0.000000 7.071637 8.423578 6.723596 8.422050 7.173314 2.602690 2.614068 7.080776 7.603061 6.020578 5.147908 3.380392 3.372924 6.021168 6.138916 7.400960 5.191038 5.476563 4.369856 4.549799 9.007918 6.753436 6.119609 3.755704 2.170507 2.167808 1.078853 4.036709 4.053073 7.847415 5.502910 5.971229 4.010530 4.362642 5.156527 9.305456 9.665367 9.284718 7.137836 7.049146 5.686278 0.000000 9.237519 10.309633 9.564086 8.893418 7.727560 2.014859 6.689342 8.879255 7.068806 7.910401 5.866683 3.731932 5.882702 7.764938 7.036890 7.662648 7.648813 6.138582 6.796765 5.988383 8.119688 5.737368 7.166982 5.060018 3.241389 5.567000 4.351009 1.087963 7.950744 9.210830 8.437406 5.841742 7.008969 5.546245 7.489980 7.871019 8.995253 8.489841 5.968122 5.387558 5.120748 4.500423 0.000000 7.807978 8.813609 8.302063 7.137633 6.136988 2.091073 6.186568 7.324153 5.278772 6.566169 4.514866 2.662505 4.940388 6.248722 5.399439 5.907630 6.348980 4.599467 5.648127 4.732133 6.347643 3.953729 5.702102 3.926873 2.704361 4.941996 4.008858 1.091729 7.280721 7.562039 7.227469 4.262178 6.097299 4.501618 6.302769 6.156098 7.218477 6.736749 4.257641 3.654815 3.352179 4.509295 1.790700 0.000000 8.211335 9.159072 8.650682 8.212397 6.452647 2.091777 6.187037 8.077644 6.393825 6.726227 4.526169 2.657744 4.922809 7.167734 6.534868 7.021312 7.219629 5.961944 6.662045 6.017460 7.376542 4.986587 5.895563 3.919623 2.699323 4.936554 4.009480 1.091338 7.262438 8.367344 7.947636 5.804519 7.014947 5.891814 6.379546 7.221844 8.345355 7.534656 4.934034 4.882214 4.387093 4.516488 1.790612 1.780200 0.000000 3.546846 4.862768 2.545119 6.686252 5.480263 6.218325 2.103526 4.195647 7.090326 3.324759 4.555868 4.954004 2.667489 3.928438 5.041505 6.235240 3.041639 5.386800 3.586230 4.779928 8.351242 6.970484 4.412611 3.922963 4.963166 2.721604 4.041327 7.295430 1.089940 5.180541 2.426074 6.408251 3.484069 5.478811 2.477639 9.124986 8.717638 8.361011 7.244984 7.807451 6.053029 4.558786 8.177512 7.290092 7.475804 0.000000 5.252344 6.479770 4.101234 8.445197 7.135599 6.691830 2.017902 5.963103 8.747713 4.949203 5.926609 5.898261 3.737962 5.627931 6.678370 7.946675 4.566449 6.814182 4.766878 5.968889 10.050553 8.495559 6.004468 5.065495 5.571164 3.241843 4.357711 7.949061 1.087495 6.957631 3.911646 7.797294 4.287614 6.441411 4.016381 10.772184 10.451217 10.074902 8.763257 9.256039 7.510266 4.516066 8.706581 8.152473 8.140649 1.787309 0.000000 4.494015 5.601114 3.662237 7.889487 5.923381 6.170237 2.093254 5.496422 7.998992 3.757713 4.630433 4.950803 2.685939 5.329837 6.284068 7.351928 4.634307 6.601236 5.040179 6.049998 9.209063 7.634382 4.754162 3.949963 4.929134 2.705270 3.999400 7.256239 1.091567 6.389078 4.162283 7.527779 4.904614 6.643165 2.800837 9.916227 9.725848 9.079785 7.701813 8.468240 6.706056 4.500920 8.126404 7.474926 7.231258 1.781303 1.787129 0.000000 4.677970 5.310197 5.553791 5.045914 2.401430 4.572058 5.481714 4.749131 3.781780 3.217631 1.010344 2.370208 3.209176 4.411500 4.038659 4.128570 5.042458 4.430031 5.316515 5.049463 4.673159 2.862466 2.015305 2.019659 3.701868 4.288683 4.550470 4.436470 5.799476 4.849428 5.663905 4.674125 6.085433 5.670031 3.409342 5.042827 5.591182 4.436582 2.404709 3.675580 2.400193 5.607959 5.507854 4.075469 4.093718 5.533201 6.882988 5.596739 0.000000 C16H20N6O6S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1251,-2.2189,-.481;-3.3443,-2.3474,-1.2417;-1.446,-3.3701,.0966;-3.5454,1.4164,.9215;-1.8718,.4611,-2.0217;4.3642,1.8213,-.1308;3.01,-2.6109,.4797;-2.4285,-1.0944,.7213;-2.0656,2.9409,.1315;-.8746,-1.5322,-1.4276;.4014,.3574,-1.961;2.3872,1.0937,-1.071;1.7247,-1.1783,-.79;-1.3582,-.4432,1.3883;-1.2754,.9668,1.4021;-2.3767,1.7832,.7829;-.3749,-1.2014,2.0318;-.2293,1.5704,2.1087;.6837,-.5782,2.6817;.7548,.8124,2.7335;-3.1813,3.7237,-.3987;-.777,3.2389,-.4829;-.8808,-.2045,-1.8129;1.5582,.0634,-1.242;3.4819,.8384,-.3477;2.8125,-1.3989,-.0407;3.7527,-.4069,.217;4.0954,3.1143,-.6999;2.0667,-3.6587,.166;-3.206,-.4769,.4818;-.4615,-2.279,2.0238;-.1942,2.6516,2.1704;1.4414,-1.1826,3.1667;1.5616,1.3018,3.2658;.0505,-1.8906,-1.1603;-2.8643,4.7641,-.4962;-4.031,3.6599,.2765;-3.4858,3.3442,-1.3803;-.8933,3.2465,-1.5724;-.4216,4.2248,-.1665;-.0279,2.4984,-.2217;4.6336,-.5894,.8125;4.9384,3.7336,-.4008;3.1625,3.5235,-.3071;4.0323,3.0542,-1.7878;1.0643,-3.4096,.514;2.4413,-4.5357,.6887;2.0434,-3.8426,-.9097;.3577,1.3167,-2.275; 0.2093456 0.1624216 0.1213377 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= 789 789 789 789 789 MxSgAt= 49 MxSgA2= 49. 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= 766 RedAO= T EigKep= 1.51D-06 NBF= 766 NBsUse= 764 1.00D-06 EigRej= 7.46D-07 NBFU= 764 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= 787 787 787 787 787 MxSgAt= 49 MxSgA2= 49. 1 2.01441165e+00 2.07480099e+00 2.00022677e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 16 8 8 8 8 8 8 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.002092126 -0.000520316 -0.001493252 0.003028359 0.014433808 0.002819412 -0.002887970 -0.008790408 0.010365675 0.011878969 0.010300403 0.007345971 0.010214160 0.006319309 -0.009589030 -0.012870935 -0.003677706 -0.000404863 -0.007551728 -0.006359716 0.008472128 0.008194017 0.001987828 0.001555352 0.000205702 -0.000120469 -0.002999435 -0.004306833 -0.003460703 0.003523723 0.000483084 0.002194136 -0.005571528 -0.000043396 0.005241556 -0.011191566 0.009346402 -0.000470906 0.006388857 -0.000105817 -0.003397451 -0.000723910 0.000826547 0.001263780 -0.001711009 -0.006699079 -0.008058826 0.000262358 -0.000708922 -0.001422589 0.005158715 0.001515668 -0.001610285 -0.005055571 -0.001948258 -0.004568343 0.002867948 -0.000020591 -0.004186463 -0.002833376 0.003522881 0.005698763 -0.005269985 -0.008242665 -0.003487352 -0.002328381 -0.002590101 -0.000751538 0.000543043 0.000109190 0.000174297 0.000078888 0.002360545 -0.002957287 0.007410028 -0.005247818 0.001095410 -0.005647530 -0.004516182 -0.002197353 0.001805661 -0.002079442 0.005046623 -0.011697730 0.009822220 -0.000875775 0.008170463 -0.001103958 0.002111138 -0.001600868 -0.000660706 0.001856187 0.001157454 0.000052112 0.000613114 -0.000801298 -0.000338426 -0.001299691 0.000849837 0.000002692 -0.001396612 -0.000703707 -0.001063923 -0.000369353 0.000761054 -0.000703493 -0.000577605 -0.001801056 0.001295425 -0.000472629 0.001976500 -0.001236776 0.001420754 0.001322086 -0.000687850 0.002042050 0.000369983 0.000831799 -0.000904101 -0.001860352 0.000155204 -0.000185128 0.001061319 0.000094002 0.000053093 -0.000097966 -0.001671122 -0.000684575 0.000348478 0.001554782 -0.001389130 0.000510236 0.000828597 0.001016614 0.001699057 -0.000003185 -0.000349708 -0.001917771 -0.001297553 -0.000850291 0.000871756 -0.000633957 0.001592434 -0.001010813 0.000806203 0.000931012 -0.001384982 0.014433808 0.004308251 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1800.25606508671 -1800.25607569348 -0.000010606762 -1800.25607539273 0.000000300744 -1800.25607588981 -0.000000497079 -1800.25607589867 -0.000000008855 -1800.25607590217 -0.000000003505 -1800.25607590254 -0.000000000366 -1800.25607590214 0.000000000395 -1800.25607590240 -0.000000000262 -1800.25607590219 0.000000000209 -1800.25607590 10 1.794349499343e+03 -1.096533400688e+04 3.998390877887e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245441061 LenY= 4244808241 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) PT1023294.100S 2022-03-23T00:33:17.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 S O O O O O O N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.621718 -0.048449 -0.173253 -0.267212 -0.202458 -0.156691 -0.178478 -0.383895 0.048652 -0.813320 -0.464879 -0.154687 -0.304115 0.428301 1.251441 -0.812949 -0.415097 -0.368243 -0.340776 -0.358746 -0.241768 -0.442728 0.151833 -0.054798 0.432296 0.539678 -0.632168 -0.230208 -0.234326 0.343471 0.160760 0.132447 0.130202 0.127281 0.483471 0.134628 0.171730 0.167244 0.153378 0.155205 0.164762 0.139925 0.163468 0.157141 0.160228 0.170193 0.164560 0.173588 0.351642 -0.00000 -89.10143 -19.19228 -19.19080 -19.13532 -19.13525 -19.12375 -19.10213 -14.38190 -14.36874 -14.36242 -14.36137 -14.34376 -14.34007 -10.34015 -10.32130 -10.30901 -10.30778 -10.29046 -10.24831 -10.24726 -10.23949 -10.22244 -10.21251 -10.20536 -10.20444 -10.20077 -10.19851 -10.19738 -10.19600 -8.15998 -6.12324 -6.12206 -6.12181 -1.15307 -1.11959 -1.11419 -1.09321 -1.05725 -1.03684 -1.03509 -0.96704 -0.95914 -0.95149 -0.93517 -0.91895 -0.87672 -0.82225 -0.79044 -0.77163 -0.76478 -0.73898 -0.72798 -0.71911 -0.71359 -0.69170 -0.65894 -0.65076 -0.64252 -0.61303 -0.59575 -0.59080 -0.58114 -0.57183 -0.55162 -0.54516 -0.53492 -0.53280 -0.52241 -0.51980 -0.51012 -0.50008 -0.49880 -0.49654 -0.49287 -0.48677 -0.48112 -0.47288 -0.46698 -0.46290 -0.45646 -0.45505 -0.44591 -0.44145 -0.42849 -0.42441 -0.42247 -0.41645 -0.40127 -0.39756 -0.39411 -0.38939 -0.38644 -0.38468 -0.38304 -0.37996 -0.37066 -0.36026 -0.35579 -0.34761 -0.33534 -0.33491 -0.32199 -0.31230 -0.30844 -0.30411 -0.30145 -0.28875 -0.27408 -0.26257 -0.26009 -0.25448 -0.06098 -0.05169 -0.04370 -0.03954 -0.02082 -0.00516 -0.00460 0.00331 0.00449 0.01189 0.01419 0.01819 0.02119 0.02400 0.03008 0.03655 0.03799 0.04146 0.04355 0.04416 0.04780 0.05334 0.05596 0.05882 0.06307 0.06631 0.06779 0.07314 0.07469 0.07783 0.08185 0.08501 0.08685 0.08707 0.09207 0.09606 0.09710 0.09951 0.10173 0.10477 0.10696 0.11075 0.11525 0.11632 0.12200 0.12531 0.12729 0.13145 0.13233 0.13571 0.13737 0.13795 0.13909 0.14204 0.14280 0.14582 0.14895 0.15308 0.15474 0.16038 0.16208 0.16378 0.16538 0.16916 0.17131 0.17322 0.17612 0.17706 0.18416 0.18475 0.18812 0.19188 0.19553 0.19595 0.19836 0.20034 0.20401 0.20533 0.20795 0.21095 0.21208 0.21557 0.22013 0.22247 0.22393 0.22687 0.22872 0.23071 0.23418 0.23732 0.24048 0.24146 0.24274 0.24580 0.24803 0.25096 0.25410 0.25645 0.25855 0.26112 0.26358 0.26878 0.26977 0.27045 0.27577 0.27717 0.27971 0.28198 0.28324 0.28531 0.28869 0.28965 0.29119 0.29406 0.30085 0.30267 0.30627 0.30803 0.31021 0.31279 0.31645 0.31738 0.31993 0.32401 0.32528 0.32763 0.32796 0.33086 0.33574 0.34036 0.34266 0.34450 0.34939 0.35181 0.35505 0.35886 0.35969 0.36557 0.36994 0.37133 0.37685 0.37803 0.38490 0.38785 0.38944 0.39196 0.39572 0.40257 0.40556 0.40776 0.40993 0.41084 0.41652 0.41832 0.42125 0.42433 0.42960 0.43360 0.43599 0.44025 0.44226 0.44954 0.45749 0.46406 0.46558 0.47259 0.47500 0.48137 0.48882 0.49160 0.50237 0.51111 0.51390 0.52015 0.52118 0.53086 0.53618 0.54456 0.55010 0.55321 0.55922 0.56217 0.56786 0.57112 0.57270 0.58317 0.58601 0.58958 0.59707 0.60184 0.60549 0.61306 0.61582 0.62671 0.62998 0.63692 0.63805 0.64553 0.65005 0.65718 0.66529 0.66907 0.67258 0.67850 0.68467 0.69027 0.69305 0.69438 0.70080 0.70305 0.70654 0.70741 0.71595 0.71897 0.72723 0.73001 0.73383 0.73725 0.74005 0.74210 0.75093 0.75344 0.75727 0.76502 0.76708 0.77284 0.77820 0.78404 0.78721 0.79207 0.79624 0.80419 0.81122 0.82091 0.83197 0.83701 0.83809 0.84679 0.85661 0.86077 0.86870 0.87004 0.88348 0.88940 0.89477 0.90325 0.91000 0.91572 0.92231 0.92642 0.93073 0.93987 0.94128 0.94453 0.96216 0.96438 0.97284 0.97688 0.98345 0.99122 0.99856 1.00403 1.00648 1.01485 1.02201 1.02611 1.03265 1.03518 1.04177 1.05030 1.05531 1.05842 1.06708 1.07005 1.07604 1.07896 1.09064 1.09946 1.10479 1.11729 1.12274 1.12503 1.12879 1.13799 1.15216 1.15811 1.16284 1.17005 1.17699 1.18293 1.19287 1.19401 1.19919 1.20633 1.20896 1.21540 1.22253 1.22787 1.23558 1.23832 1.24266 1.24879 1.25253 1.25600 1.26401 1.28748 1.29721 1.29872 1.30307 1.31359 1.31568 1.32739 1.33488 1.34576 1.35135 1.35353 1.35484 1.36672 1.37212 1.38502 1.39348 1.40353 1.41488 1.42073 1.43346 1.45104 1.45883 1.46885 1.47353 1.49360 1.50007 1.50386 1.50764 1.51487 1.51857 1.52294 1.53175 1.53814 1.54506 1.55203 1.55750 1.56791 1.57982 1.58148 1.58375 1.58882 1.59144 1.59733 1.60256 1.61582 1.62089 1.62431 1.62866 1.63587 1.64079 1.64772 1.65233 1.65936 1.66891 1.67701 1.68237 1.68612 1.69278 1.69666 1.70321 1.71161 1.71386 1.72459 1.72730 1.73667 1.75086 1.75506 1.75942 1.76806 1.77310 1.77496 1.77948 1.79351 1.79890 1.80179 1.80603 1.82173 1.82468 1.83025 1.83533 1.86146 1.86887 1.88174 1.89334 1.89612 1.90641 1.91032 1.91188 1.91570 1.92220 1.93277 1.94209 1.94898 1.96034 1.97072 1.97493 1.98288 1.98743 1.99820 2.00130 2.01051 2.01545 2.02155 2.02750 2.03222 2.05524 2.06003 2.06605 2.08195 2.09421 2.09655 2.10053 2.11545 2.11687 2.12155 2.13388 2.14988 2.16072 2.16807 2.17582 2.18280 2.20585 2.21803 2.24151 2.25181 2.25451 2.27875 2.28653 2.31579 2.32087 2.35830 2.36693 2.38006 2.39579 2.40349 2.41556 2.42554 2.43724 2.44898 2.45045 2.46035 2.46612 2.48235 2.48610 2.48791 2.49320 2.50351 2.51396 2.51707 2.52238 2.52970 2.53165 2.53945 2.55152 2.55451 2.56555 2.57444 2.57915 2.58427 2.59010 2.59226 2.61768 2.64252 2.65426 2.65998 2.66551 2.67239 2.67575 2.68263 2.68898 2.70679 2.72146 2.72950 2.74367 2.74612 2.75842 2.76545 2.77293 2.77554 2.77884 2.79278 2.79814 2.81294 2.81378 2.82040 2.82416 2.82655 2.83755 2.84391 2.84855 2.85447 2.86075 2.87020 2.87652 2.87963 2.88508 2.89191 2.89722 2.90296 2.92112 2.92996 2.93863 2.95286 2.96220 2.96827 2.97615 2.98729 2.98758 3.00704 3.00879 3.01373 3.02471 3.03664 3.04006 3.04669 3.05641 3.06610 3.06810 3.07877 3.10152 3.10408 3.11803 3.13758 3.14212 3.14820 3.16323 3.19005 3.19575 3.21478 3.22264 3.24054 3.27194 3.28091 3.33977 3.36404 3.36480 3.38428 3.38564 3.40312 3.41472 3.42642 3.45928 3.46705 3.49289 3.49376 3.51871 3.52858 3.54901 3.56483 3.58570 3.59307 3.61530 3.62101 3.66710 3.67766 3.72208 3.73992 3.75602 3.76939 3.77166 3.78277 3.79848 3.80187 3.81427 3.83696 3.88259 3.89066 3.94617 3.95712 3.97677 3.99606 4.00703 4.01824 4.03117 4.04584 4.06368 4.06847 4.07441 4.08455 4.10504 4.17415 4.17883 4.28174 4.29366 4.34682 4.41586 4.43420 4.60229 4.67885 4.74495 4.83190 4.84788 4.89123 4.97156 4.99734 5.02213 5.04315 5.04981 5.06138 5.07285 5.12715 5.14101 5.16831 5.17903 5.20933 5.26370 5.27261 5.28772 5.34675 5.37591 5.40701 5.76255 5.81984 5.83002 5.85209 8.19973 17.35202 17.43240 17.55651 23.64396 23.73602 23.85396 23.86847 23.89075 23.89834 23.91481 23.92284 23.93349 23.95987 23.97596 24.01136 24.04874 24.08073 24.08761 24.17570 35.53637 35.55398 35.58316 35.60390 35.68112 35.71189 49.87903 49.92773 49.93890 49.96772 50.03184 50.04035 189.31217 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 S O O O O O O N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.508815 0.001468 -0.205154 -0.252332 -0.178062 -0.119250 -0.118262 -0.371640 0.086009 -0.330315 -0.101597 -0.105545 -0.111892 0.024173 1.270546 -0.937317 -0.514001 -0.495138 -0.266978 -0.198347 -0.219396 -0.485733 0.083520 -0.056799 0.130241 0.313106 -0.554521 -0.212562 -0.227749 0.339898 0.172844 0.138578 0.134908 0.127556 0.349640 0.135304 0.174199 0.175473 0.153735 0.158982 0.163257 0.141674 0.165398 0.159093 0.164985 0.186643 0.165642 0.167509 0.269395 -0.00000 3.09267368e+00 2.11710604e+00 2.84216396e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 7.8608 5.3811 0.7224 9.5536 -196.3160 -161.2713 -179.5400 -7.6931 -2.4017 -6.4980 -17.2736 17.7711 -0.4975 -7.6931 -2.4017 -6.4980 78.1291 72.5248 -13.1124 51.5242 47.3888 -3.7526 31.5226 1.4426 -10.3508 10.4263 -6425.5508 -4342.5556 -1989.1580 63.4566 -10.3617 -135.4895 -56.6216 36.3590 -22.2866 -1685.0792 -1402.1682 -1077.8909 -95.6274 -16.5482 7.1921 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1800.2560759 4.867E-9 3.251E-6 -10.6573898,-1.9428095,12.6001993,-5.0125835,-3.9143813,-7.1099277 C01 [X(C16H20N6O6S1)] -2.8740385 -1.1248766 -2.1452512 -0.000013496 -0.000002493 -0.000003404 0.000006423 0.000001474 -0.000000304 0.000002933 -0.000003838 0.000002584 -0.000000248 -0.000004433 0.000001432 0.000002353 -0.000008012 -0.000004074 -0.000003296 0.000002668 -0.000000350 0.000002159 -0.000003707 0.000004925 -0.000001983 0.000002555 -0.000001085 -0.000001411 0.000005553 -0.000001849 0.000003752 -0.000002069 0.000001841 0.000000615 0.000003348 -0.000001116 -0.000001927 0.000005689 0.000000331 0.000004690 0.000001702 -0.000006327 0.000000511 -0.000001647 -0.000002056 -0.000001685 -0.000001005 0.000001417 0.000006605 0.000000796 0.000003635 0.000001643 -0.000000203 0.000001674 -0.000001042 0.000000765 -0.000001259 -0.000003408 -0.000000356 0.000003192 -0.000000284 -0.000000865 -0.000000074 0.000000194 -0.000003789 0.000000460 0.000001530 -0.000001045 -0.000000800 -0.000007956 0.000012904 0.000001922 0.000009752 -0.000008900 -0.000003954 -0.000002997 0.000000244 -0.000000089 -0.000010797 0.000008981 0.000001592 0.000003333 -0.000003934 -0.000002711 0.000001298 -0.000001939 -0.000003070 -0.000001201 -0.000003256 0.000003444 0.000000527 -0.000000697 0.000002196 0.000000134 0.000002502 0.000001413 -0.000000515 0.000000210 -0.000000293 -0.000000752 -0.000000768 -0.000000113 -0.000001262 -0.000000050 0.000000040 0.000003796 0.000001049 -0.000003759 0.000000813 -0.000000409 -0.000000648 0.000000907 -0.000000615 0.000000765 0.000001146 -0.000000188 0.000000114 -0.000000032 -0.000000512 0.000001850 0.000000289 -0.000000998 0.000000100 0.000000786 0.000000735 0.000002171 -0.000000103 0.000000984 -0.000000636 0.000000355 0.000000592 -0.000001252 0.000000544 0.000001433 0.000000174 -0.000000436 0.000001314 -0.000000340 -0.000003441 -0.000000926 0.000003048 0.000000002 0.000000530 0.000000773 -0.000000519 0.000001239 0.000000552 0.000001704 -0.000000616 -0.000002083 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0435,.9931,2.2275;2.9658,2.0887,2.4026;1.5921,.1732,3.3429;3.788,.2957,-1.4697;1.2908,2.5152,-.3681;-4.0592,-1.1545,-1.8592;-2.5305,-1.5418,2.5413;2.6938,.0061,1.0423;2.1179,.6624,-2.9578;.5521,1.5364,1.5857;-.8485,1.7425,-.2795;-2.4659,.3167,-1.0724;-1.7223,.1385,1.1848;1.8775,-.9269,.3511;1.7868,-.8924,-1.0581;2.6302,.0814,-1.8347;1.1531,-1.8839,1.0689;1.0064,-1.8578,-1.7039;.3429,-2.7984,.4065;.2754,-2.7973,-.9852;3.0032,1.5546,-3.7055;.6985,.8585,-3.2294;.4223,1.9731,.2803;-1.7197,.684,-.0302;-3.2772,-.7246,-.8616;-2.5194,-.9235,1.3596;-3.3437,-1.4097,.3505;-3.9964,-.4634,-3.1188;-1.72,-1.0044,3.6091;3.3505,.5082,.4425;1.2454,-1.9054,2.1458;.9797,-1.8709,-2.7869;-.2185,-3.5265,.9803;-.3307,-3.5285,-1.5064;-.2391,.9753,1.9245;2.6595,1.6022,-4.7409;4.0219,1.176,-3.6732;2.9906,2.561,-3.2728;.469,1.9287,-3.1785;.4481,.4988,-4.2326;.0771,.3382,-2.5077;-3.9926,-2.2591,.4965;-4.7112,-.9781,-3.7574;-2.9925,-.5235,-3.5434;-4.2753,.5851,-3.0005;-.6621,-1.0085,3.3471;-1.9025,-1.6629,4.4551;-2.0314,.0137,3.85;-.9162,2.1039,-1.2206; Gaussian 16 GINC-DEPAZ21 APULGAR Optimization orthosulfamuron CONF437 gas EM64L-G16RevC.01 141 C1[X(C16H20N6O6S)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0435,.9931,2.2275;2.9658,2.0887,2.4026;1.5921,.1732,3.3429;3.788,.2957,-1.4697;1.2908,2.5152,-.3681;-4.0592,-1.1545,-1.8592;-2.5305,-1.5418,2.5413;2.6938,.0061,1.0423;2.1179,.6624,-2.9578;.5521,1.5364,1.5857;-.8485,1.7425,-.2795;-2.4659,.3167,-1.0724;-1.7223,.1385,1.1848;1.8775,-.9269,.3511;1.7868,-.8924,-1.0581;2.6302,.0814,-1.8347;1.1531,-1.8839,1.0689;1.0064,-1.8578,-1.7039;.3429,-2.7984,.4065;.2754,-2.7973,-.9852;3.0032,1.5546,-3.7055;.6985,.8585,-3.2294;.4223,1.9731,.2803;-1.7197,.684,-.0302;-3.2772,-.7246,-.8616;-2.5194,-.9234,1.3596;-3.3437,-1.4097,.3505;-3.9964,-.4634,-3.1188;-1.72,-1.0044,3.6091;3.3505,.5082,.4425;1.2454,-1.9054,2.1458;.9797,-1.8709,-2.7869;-.2185,-3.5265,.9803;-.3307,-3.5285,-1.5064;-.2391,.9753,1.9245;2.6595,1.6022,-4.7409;4.0219,1.176,-3.6732;2.9906,2.561,-3.2728;.469,1.9287,-3.1785;.4481,.4988,-4.2326;.0771,.3382,-2.5077;-3.9926,-2.2591,.4965;-4.7112,-.9781,-3.7574;-2.9925,-.5235,-3.5434;-4.2753,.5851,-3.0005;-.6621,-1.0086,3.3471;-1.9025,-1.6629,4.4551;-2.0314,.0137,3.85;-.9162,2.1039,-1.2206; Optimization orthosulfamuron CONF437 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 32 16 16 16 16 16 16 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/orthosulfamuron/gas/CONF437/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 1 4 5 6 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 17 17 18 18 19 19 20 21 21 21 22 22 22 25 26 27 28 28 28 29 29 29 2 3 8 10 16 23 25 28 26 29 14 30 16 21 22 23 35 23 24 49 24 25 24 26 15 17 16 18 19 31 20 32 20 33 34 36 37 38 39 40 41 27 27 42 43 44 45 46 47 48 1.4428 1.456 1.6739 1.7121 1.2327 1.2119 1.3385 1.4381 1.3337 1.4443 1.4194 1.0214 1.3644 1.4624 1.4584 1.3825 1.0275 1.4077 1.3935 1.0103 1.3334 1.3367 1.3318 1.3393 1.4125 1.3985 1.5042 1.3993 1.3898 1.0811 1.3905 1.0834 1.3933 1.0838 1.0834 1.092 1.0872 1.0956 1.0957 1.0948 1.0852 1.3939 1.3908 1.0789 1.088 1.0917 1.0913 1.0899 1.0875 1.0916 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 2 2 2 3 3 8 25 26 1 1 14 16 16 21 1 1 23 23 23 24 24 24 8 8 15 14 14 16 4 4 9 14 14 19 15 15 20 17 17 20 18 18 19 9 9 9 36 36 37 9 9 9 39 39 40 5 5 10 11 11 12 6 6 12 7 7 13 25 25 26 6 6 6 43 43 44 7 7 7 46 46 47 1 1 1 1 1 1 6 7 8 8 8 9 9 9 10 10 10 11 11 11 12 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 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 3 8 10 8 10 10 28 29 14 30 30 21 22 22 23 35 35 24 49 49 25 26 15 17 17 16 18 18 9 15 15 19 31 31 20 32 32 20 33 33 19 34 34 36 37 38 37 38 38 39 40 41 40 41 41 10 11 11 12 13 13 12 27 27 13 27 27 26 42 42 43 44 45 44 45 45 46 47 48 47 48 48 122.197 106.5775 111.1843 109.3171 101.2926 105.0759 118.2261 118.5449 120.598 112.0717 114.0074 116.961 125.1693 114.3269 122.4114 111.9536 114.2979 128.1461 111.86 113.3606 115.5296 116.4228 120.4477 119.8489 119.7029 119.6584 118.6439 121.4065 121.488 119.1004 119.35 120.5037 118.7304 120.7617 121.3889 118.9086 119.7018 120.2526 119.4505 120.2827 119.4231 120.1002 120.4722 108.7165 109.8544 110.5775 109.7698 109.3143 108.5976 109.0627 110.4309 111.6582 108.3967 108.5022 108.7141 125.3892 120.4951 114.1153 114.7896 118.3977 126.8089 119.1606 117.5385 123.2952 119.2249 118.4129 122.3622 115.5192 122.2368 122.2439 104.9617 110.7522 110.8341 110.478 110.4995 109.2653 111.4399 104.8154 110.4986 110.3363 109.4811 110.1969 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 3 3 10 10 2 2 3 3 8 8 28 28 25 25 25 29 29 26 26 26 1 1 30 30 21 21 22 22 16 16 16 22 22 22 16 16 16 21 21 21 1 1 35 35 24 24 49 49 23 23 49 49 25 25 24 24 26 26 24 24 8 8 17 17 8 8 15 15 14 14 18 18 14 14 16 16 14 14 31 31 15 15 32 32 17 17 33 33 6 6 12 12 7 7 13 13 1 1 1 1 1 1 1 1 1 1 1 1 6 6 6 6 6 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 25 25 25 25 26 26 26 26 8 8 8 8 8 8 10 10 10 10 10 10 25 25 28 28 28 26 26 29 29 29 14 14 14 14 16 16 16 16 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 25 25 24 24 26 26 15 15 15 15 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 27 27 27 27 27 27 27 27 14 30 14 30 14 30 23 35 23 35 23 35 12 27 43 44 45 13 27 46 47 48 15 17 15 17 4 15 4 15 36 37 38 36 37 38 39 40 41 39 40 41 5 11 5 11 5 10 5 10 12 13 12 13 11 13 6 27 11 12 7 27 16 18 16 18 19 31 19 31 4 9 4 9 20 32 20 32 20 33 20 33 19 34 19 34 18 34 18 34 26 42 26 42 25 42 25 42 -161.1318 -22.5561 64.9642 -156.4602 -43.054 95.5216 70.799 -147.8091 -157.8919 -16.5001 -44.1174 97.2745 -0.4714 -179.6344 -179.5851 61.1725 -60.2746 2.5947 -177.3216 -61.1986 179.456 60.7611 123.454 -56.2729 -14.3858 165.8873 -0.2225 -177.3407 -157.7104 25.1713 156.1025 35.9676 -83.8834 -43.9867 -164.1216 76.0273 110.3171 -130.6677 -9.5821 -47.6883 71.3269 -167.5876 -30.6453 149.5864 -171.2259 9.0057 147.2927 -32.9265 -1.8389 177.942 -147.5063 31.8321 1.249 -179.4127 178.007 -1.266 179.995 -0.8929 -176.3661 2.8837 177.6935 -2.3936 4.0005 177.8917 -176.2722 -2.3811 179.5819 -1.1534 -0.147 179.1177 38.7556 -144.0567 -134.9622 42.2255 3.2002 -176.4855 176.98 -2.7057 1.9527 -179.4105 -177.2969 1.3399 -1.4431 179.3185 178.2402 -0.9983 -1.1685 178.067 -179.7939 -0.5583 -179.6722 0.2194 1.2023 -178.9061 -179.5518 0.5566 0.5346 -179.357 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00136 0.00168 0.00453 0.00510 0.00574 0.00618 0.00728 0.00821 0.01044 0.01123 0.01248 0.01268 0.01394 0.01477 0.01575 0.01638 0.01729 0.01814 0.01950 0.02054 0.02252 0.02292 0.02391 0.02411 0.02652 0.02735 0.02843 0.02976 0.03955 0.04382 0.04719 0.04963 0.05080 0.05977 0.06040 0.06073 0.06182 0.06379 0.07682 0.08196 0.08353 0.08467 0.08495 0.08850 0.09921 0.11072 0.11238 0.11565 0.11962 0.12119 0.12286 0.12607 0.12664 0.12688 0.12853 0.13123 0.13577 0.14742 0.15906 0.16698 0.17030 0.17604 0.17856 0.18002 0.18439 0.18629 0.18634 0.18726 0.18927 0.19126 0.19216 0.19520 0.19738 0.20290 0.21097 0.21701 0.21837 0.22266 0.23298 0.23560 0.23782 0.24143 0.24610 0.24740 0.25157 0.26370 0.27246 0.27725 0.29343 0.31604 0.31880 0.32251 0.32570 0.32620 0.33062 0.33421 0.33546 0.33604 0.33740 0.33873 0.34406 0.34523 0.34719 0.34864 0.34960 0.35582 0.35695 0.35765 0.35848 0.36077 0.36241 0.36479 0.36786 0.37077 0.37891 0.38445 0.38756 0.40537 0.41482 0.42000 0.42707 0.43544 0.45308 0.45607 0.45971 0.46665 0.46851 0.49650 0.50899 0.51533 0.52509 0.55448 0.58265 0.59708 0.61087 0.62830 0.64524 0.76115 0.83975 1.08541 1.14769 Angle between quadratic step and forces= 76.00 degrees. 1 2 0.00030762 0.00000005 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 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 2.72647 2.75151 3.16319 3.23545 2.32950 2.29013 2.52936 2.71761 2.52037 2.72935 2.68227 1.93007 2.57826 2.76356 2.75594 2.61262 1.94160 2.66012 2.63326 1.90927 2.51969 2.52607 2.51681 2.53082 2.66932 2.64274 2.84253 2.64422 2.62632 2.04301 2.62766 2.04742 2.63301 2.04806 2.04731 2.06358 2.05455 2.07038 2.07055 2.06878 2.05082 2.63404 2.62827 2.03874 2.05595 2.06307 2.06233 2.05969 2.05507 2.06276 2.13274 1.86013 1.94053 1.90794 1.76789 1.83392 2.06343 2.06900 2.10483 1.95602 1.98980 2.04135 2.18462 1.99538 2.13648 1.95396 1.99487 2.23657 1.95232 1.97852 2.01637 2.03196 2.10221 2.09176 2.08921 2.08843 2.07073 2.11894 2.12037 2.07869 2.08305 2.10319 2.07224 2.10769 2.11864 2.07535 2.08919 2.09880 2.08480 2.09933 2.08433 2.09614 2.10264 1.89746 1.91732 1.92994 1.91585 1.90789 1.89538 1.90350 1.92738 1.94880 1.89188 1.89372 1.89742 2.18845 2.10304 1.99169 2.00346 2.06643 2.21323 2.07975 2.05143 2.15191 2.08087 2.06670 2.13562 2.01619 2.13344 2.13356 1.83193 1.93299 1.93442 1.92821 1.92858 1.90704 1.94499 1.82937 1.92856 1.92573 1.91081 1.92330 -2.81228 -0.39368 1.13384 -2.73074 -0.75143 1.66717 1.23568 -2.57976 -2.75573 -0.28798 -0.76999 1.69776 -0.00823 -3.13521 -3.13435 1.06766 -1.05199 0.04529 -3.09485 -1.06812 3.13210 1.06048 2.15468 -0.98215 -0.25108 2.89528 -0.00388 -3.09518 -2.75257 0.43932 2.72450 0.62775 -1.46404 -0.76771 -2.86446 1.32693 1.92540 -2.28058 -0.16724 -0.83232 1.24489 -2.92495 -0.53486 2.61078 -2.98846 0.15718 2.57074 -0.57468 -0.03209 3.10567 -2.57447 0.55557 0.02180 -3.13134 3.10681 -0.02210 3.14151 -0.01558 -3.07817 0.05033 3.10134 -0.04178 0.06982 3.10480 -3.07653 -0.04156 3.13429 -0.02013 -0.00257 3.12619 0.67641 -2.51426 -2.35553 0.73697 0.05585 -3.08025 3.08888 -0.04722 0.03408 -3.13130 -3.09442 0.02339 -0.02519 3.12970 3.11088 -0.01742 -0.02039 3.10786 -3.13800 -0.00974 -3.13587 0.00383 0.02098 -3.12250 -3.13377 0.00971 0.00933 -3.13037 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00000 0.00003 -0.00002 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 -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 0.00000 0.00000 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 -0.00001 -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 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 -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 0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00002 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00002 -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 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00002 0.00001 -0.00000 0.00002 0.00001 0.00001 0.00006 0.00000 0.00001 0.00005 0.00004 -0.00002 0.00001 0.00002 -0.00003 -0.00003 0.00000 0.00000 -0.00002 0.00000 -0.00000 -0.00001 -0.00001 0.00002 -0.00003 0.00000 0.00003 0.00003 -0.00002 -0.00001 -0.00001 -0.00002 0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00003 0.00003 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00003 -0.00003 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00007 0.00016 0.00009 0.00019 0.00007 0.00017 0.00004 -0.00001 0.00005 -0.00000 0.00006 0.00000 0.00016 0.00016 -0.00035 -0.00036 -0.00036 0.00019 0.00010 -0.00008 -0.00008 -0.00008 -0.00002 0.00005 -0.00010 -0.00004 -0.00003 -0.00006 -0.00013 -0.00016 -0.00025 -0.00027 -0.00026 -0.00017 -0.00019 -0.00018 -0.00007 -0.00002 -0.00004 -0.00017 -0.00012 -0.00013 0.00011 0.00003 0.00017 0.00009 -0.00012 -0.00004 -0.00008 -0.00001 -0.00016 -0.00007 -0.00019 -0.00010 0.00003 -0.00007 0.00004 0.00004 -0.00011 -0.00001 0.00002 0.00011 0.00012 0.00012 0.00006 0.00005 -0.00009 -0.00005 -0.00003 0.00002 0.00019 0.00021 0.00019 0.00022 -0.00004 -0.00006 -0.00005 -0.00006 -0.00001 -0.00000 -0.00005 -0.00005 0.00001 -0.00001 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 0.00006 -0.00001 0.00005 -0.00002 -0.00004 0.00003 -0.00014 -0.00007 0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00002 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00002 -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 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00002 0.00001 -0.00000 0.00002 0.00001 0.00001 0.00006 0.00000 0.00001 0.00005 0.00004 -0.00002 0.00001 0.00002 -0.00003 -0.00003 0.00000 0.00000 -0.00002 0.00000 -0.00000 -0.00001 -0.00001 0.00002 -0.00003 0.00000 0.00003 0.00003 -0.00002 -0.00001 -0.00001 -0.00002 0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00003 0.00003 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00003 -0.00003 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00007 0.00016 0.00009 0.00019 0.00007 0.00017 0.00004 -0.00001 0.00005 -0.00000 0.00006 0.00000 0.00016 0.00016 -0.00035 -0.00036 -0.00036 0.00019 0.00010 -0.00008 -0.00008 -0.00008 -0.00002 0.00005 -0.00010 -0.00004 -0.00003 -0.00006 -0.00013 -0.00016 -0.00025 -0.00027 -0.00026 -0.00017 -0.00019 -0.00018 -0.00007 -0.00002 -0.00004 -0.00017 -0.00012 -0.00013 0.00011 0.00003 0.00017 0.00009 -0.00012 -0.00004 -0.00008 -0.00001 -0.00016 -0.00007 -0.00019 -0.00010 0.00003 -0.00007 0.00004 0.00004 -0.00011 -0.00001 0.00002 0.00011 0.00012 0.00012 0.00006 0.00005 -0.00009 -0.00005 -0.00003 0.00002 0.00019 0.00021 0.00019 0.00022 -0.00004 -0.00006 -0.00005 -0.00006 -0.00001 -0.00000 -0.00005 -0.00005 0.00001 -0.00001 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 0.00006 -0.00001 0.00005 -0.00002 -0.00004 0.00003 -0.00014 -0.00007 2.72649 2.75151 3.16317 3.23543 2.32949 2.29013 2.52937 2.71761 2.52039 2.72934 2.68226 1.93006 2.57826 2.76354 2.75593 2.61262 1.94160 2.66011 2.63327 1.90928 2.51969 2.52607 2.51682 2.53083 2.66931 2.64273 2.84255 2.64421 2.62633 2.04301 2.62767 2.04742 2.63302 2.04807 2.04731 2.06359 2.05454 2.07038 2.07055 2.06878 2.05082 2.63404 2.62827 2.03874 2.05595 2.06307 2.06234 2.05968 2.05507 2.06277 2.13273 1.86011 1.94054 1.90794 1.76790 1.83393 2.06344 2.06906 2.10483 1.95603 1.98986 2.04139 2.18460 1.99539 2.13650 1.95393 1.99485 2.23657 1.95233 1.97849 2.01637 2.03196 2.10220 2.09175 2.08923 2.08840 2.07073 2.11898 2.12040 2.07867 2.08304 2.10318 2.07222 2.10771 2.11862 2.07535 2.08920 2.09880 2.08482 2.09933 2.08434 2.09614 2.10263 1.89747 1.91732 1.92994 1.91585 1.90788 1.89539 1.90350 1.92738 1.94877 1.89191 1.89371 1.89742 2.18845 2.10304 1.99168 2.00344 2.06644 2.21324 2.07975 2.05144 2.15190 2.08090 2.06667 2.13562 2.01620 2.13343 2.13355 1.83193 1.93300 1.93441 1.92822 1.92858 1.90704 1.94500 1.82938 1.92857 1.92572 1.91080 1.92330 -2.81221 -0.39351 1.13393 -2.73055 -0.75136 1.66734 1.23572 -2.57977 -2.75568 -0.28798 -0.76993 1.69776 -0.00806 -3.13505 -3.13470 1.06730 -1.05235 0.04547 -3.09475 -1.06820 3.13202 1.06040 2.15466 -0.98210 -0.25118 2.89525 -0.00392 -3.09524 -2.75269 0.43917 2.72425 0.62749 -1.46430 -0.76789 -2.86465 1.32674 1.92533 -2.28061 -0.16728 -0.83248 1.24477 -2.92509 -0.53475 2.61081 -2.98829 0.15727 2.57062 -0.57472 -0.03218 3.10567 -2.57463 0.55551 0.02161 -3.13144 3.10684 -0.02217 3.14155 -0.01554 -3.07828 0.05032 3.10136 -0.04166 0.06994 3.10491 -3.07647 -0.04150 3.13420 -0.02018 -0.00260 3.12621 0.67660 -2.51405 -2.35534 0.73719 0.05581 -3.08031 3.08883 -0.04729 0.03407 -3.13131 -3.09447 0.02334 -0.02518 3.12969 3.11090 -0.01742 -0.02037 3.10789 -3.13798 -0.00972 -3.13582 0.00382 0.02104 -3.12252 -3.13381 0.00974 0.00920 -3.13044 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000005 0.001136 0.000308 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.043320e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 1 4 5 6 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 17 17 18 18 19 19 20 21 21 21 22 22 22 25 26 27 28 28 28 29 29 29 2 3 8 10 16 23 25 28 26 29 14 30 16 21 22 23 35 23 24 49 24 25 24 26 15 17 16 18 19 31 20 32 20 33 34 36 37 38 39 40 41 27 27 42 43 44 45 46 47 48 1.4428 1.456 1.6739 1.7121 1.2327 1.2119 1.3385 1.4381 1.3337 1.4443 1.4194 1.0214 1.3644 1.4624 1.4584 1.3825 1.0275 1.4077 1.3935 1.0103 1.3334 1.3367 1.3318 1.3393 1.4125 1.3985 1.5042 1.3993 1.3898 1.0811 1.3905 1.0834 1.3933 1.0838 1.0834 1.092 1.0872 1.0956 1.0957 1.0948 1.0852 1.3939 1.3908 1.0789 1.088 1.0917 1.0913 1.0899 1.0875 1.0916 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 2 2 2 3 3 8 25 26 1 1 14 16 16 21 1 1 23 23 23 24 24 24 8 8 15 14 14 16 4 4 9 14 14 19 15 15 20 17 17 20 18 18 19 9 9 9 36 36 37 9 9 9 39 39 40 5 5 10 11 11 12 6 6 12 7 7 13 25 25 26 6 6 6 43 43 44 7 7 7 46 46 47 1 1 1 1 1 1 6 7 8 8 8 9 9 9 10 10 10 11 11 11 12 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 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 3 8 10 8 10 10 28 29 14 30 30 21 22 22 23 35 35 24 49 49 25 26 15 17 17 16 18 18 9 15 15 19 31 31 20 32 32 20 33 33 19 34 34 36 37 38 37 38 38 39 40 41 40 41 41 10 11 11 12 13 13 12 27 27 13 27 27 26 42 42 43 44 45 44 45 45 46 47 48 47 48 48 122.197 106.5775 111.1843 109.3171 101.2926 105.0759 118.2261 118.5449 120.598 112.0717 114.0074 116.961 125.1693 114.3269 122.4114 111.9536 114.2979 128.1461 111.86 113.3606 115.5296 116.4228 120.4477 119.8489 119.7029 119.6584 118.6439 121.4065 121.488 119.1004 119.35 120.5037 118.7304 120.7617 121.3889 118.9086 119.7018 120.2526 119.4505 120.2827 119.4231 120.1002 120.4722 108.7165 109.8544 110.5775 109.7698 109.3143 108.5976 109.0627 110.4309 111.6582 108.3967 108.5022 108.7141 125.3892 120.4951 114.1153 114.7896 118.3977 126.8089 119.1606 117.5385 123.2952 119.2249 118.4129 122.3622 115.5192 122.2368 122.2439 104.9617 110.7522 110.8341 110.478 110.4995 109.2653 111.4399 104.8154 110.4986 110.3363 109.4811 110.1969 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 3 10 10 2 2 3 3 8 8 28 28 25 25 25 29 29 26 26 26 1 1 30 30 21 21 22 22 16 16 16 22 22 22 16 16 16 21 21 21 1 1 35 35 24 24 49 49 23 23 49 49 25 25 24 24 26 26 24 24 8 8 17 17 8 8 15 15 14 14 18 18 14 14 16 16 14 14 31 31 15 15 32 32 17 17 33 33 6 6 12 12 7 7 13 1 1 1 1 1 1 1 1 1 1 1 1 6 6 6 6 6 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 25 25 25 25 26 26 26 8 8 8 8 8 8 10 10 10 10 10 10 25 25 28 28 28 26 26 29 29 29 14 14 14 14 16 16 16 16 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 25 25 24 24 26 26 15 15 15 15 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 27 27 27 27 27 27 27 14 30 14 30 14 30 23 35 23 35 23 35 12 27 43 44 45 13 27 46 47 48 15 17 15 17 4 15 4 15 36 37 38 36 37 38 39 40 41 39 40 41 5 11 5 11 5 10 5 10 12 13 12 13 11 13 6 27 11 12 7 27 16 18 16 18 19 31 19 31 4 9 4 9 20 32 20 32 20 33 20 33 19 34 19 34 18 34 18 34 26 42 26 42 25 42 25 -161.1318 -22.5561 64.9642 -156.4602 -43.054 95.5216 70.799 -147.8091 -157.8919 -16.5001 -44.1174 97.2745 -0.4714 -179.6344 -179.5851 61.1725 -60.2746 2.5947 -177.3216 -61.1986 179.456 60.7611 123.454 -56.2729 -14.3858 165.8873 -0.2225 -177.3407 -157.7104 25.1713 156.1025 35.9676 -83.8834 -43.9867 -164.1216 76.0273 110.3171 -130.6677 -9.5821 -47.6883 71.3269 -167.5876 -30.6453 149.5864 -171.2259 9.0057 147.2927 -32.9265 -1.8389 177.942 -147.5063 31.8321 1.249 -179.4127 178.007 -1.266 179.995 -0.8929 -176.3661 2.8837 177.6935 -2.3936 4.0005 177.8917 -176.2722 -2.3811 179.5819 -1.1534 -0.147 179.1177 38.7556 -144.0567 -134.9622 42.2255 3.2002 -176.4855 176.98 -2.7057 1.9527 -179.4105 -177.2969 1.3399 -1.4431 179.3185 178.2402 -0.9983 -1.1685 178.067 -179.7939 -0.5583 -179.6722 0.2194 1.2023 -178.9061 -179.5518 0.5566 0.5346 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 795 A 766 A 766 1218 795 111 111 3372.4095469918 49 49 49 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 -0.0719932470 0.000000 1.442788 0.000000 1.456036 2.537789 0.000000 4.147207 4.345762 5.291342 0.000000 3.101695 3.265636 4.398521 3.517916 0.000000 7.652207 8.833585 7.794942 7.989536 6.656783 0.000000 5.238855 6.588577 4.536449 7.706336 6.286982 4.674508 0.000000 1.673886 2.502324 2.556245 2.755263 3.202107 7.441017 5.651209 0.000000 5.196413 5.611355 6.341508 2.266717 3.289934 6.531827 7.530361 4.094337 0.000000 1.712126 2.607365 2.455145 4.620123 2.306664 6.353940 4.459989 2.687770 4.884542 0.000000 3.900104 4.675800 4.641255 5.000716 2.276317 4.603982 4.644674 4.160638 4.140011 2.341636 0.000000 5.628650 6.687261 5.998530 6.266533 4.409370 2.306949 4.064071 5.584912 4.968488 4.202571 2.297313 0.000000 3.999880 5.221602 3.955213 6.118407 4.139955 4.049548 2.305774 4.420436 5.673048 2.699648 2.341109 2.383194 0.000000 2.689851 3.806208 3.200453 2.908591 3.565078 6.338884 4.960417 1.419395 3.678650 3.057646 3.867193 4.736895 3.845695 0.000000 3.796950 4.717410 4.532398 2.363435 3.511999 5.906399 5.658299 2.458047 2.477079 3.796509 3.807119 4.421250 4.290411 1.412545 0.000000 4.204432 4.700720 5.281438 1.232716 3.141438 6.802634 6.958203 2.878712 1.364358 4.258467 4.156889 5.158187 5.297678 2.522040 1.504204 0.000000 3.226812 4.565740 3.097660 4.258807 4.629865 6.022737 3.981697 2.438510 4.860920 3.510961 4.356101 4.746008 3.517339 1.398477 2.430774 3.804541 0.000000 4.965806 6.023065 5.471554 3.525570 4.581302 5.116486 5.534489 3.723315 3.026433 4.748497 4.293227 4.145330 4.446983 2.418296 1.399260 2.532624 2.776745 0.000000 4.536918 5.894709 4.360432 4.996175 5.452752 5.216673 3.793783 3.714290 5.142565 4.497215 4.744469 4.447454 3.673739 2.420820 2.804003 4.306651 1.389791 2.403828 0.000000 5.274014 6.526004 5.412046 4.705290 5.443754 4.717033 4.678156 4.221223 4.388116 5.046507 4.729801 4.149536 4.161574 2.801930 2.432733 3.814891 2.413317 1.390497 1.393330 0.000000 6.036326 6.131542 7.319789 2.683153 3.872159 7.786210 8.901205 5.003544 1.462411 5.831339 5.158342 6.194903 6.946306 4.886778 3.804711 2.410260 6.167664 4.431452 6.552339 5.811995 0.000000 5.621833 6.194626 6.668048 3.599709 3.358948 5.344668 7.034817 4.791179 1.458383 4.864738 3.446236 3.867803 5.085686 4.171024 2.994050 2.506099 5.118809 3.130523 5.168996 4.310450 2.454113 0.000000 2.716665 3.314687 3.739947 4.147784 1.211885 5.868808 5.117153 3.099938 3.883099 1.382537 1.407674 3.593762 2.963634 3.245422 3.444468 3.595385 4.003982 4.353575 4.773761 4.937542 4.766874 3.692772 0.000000 4.399412 5.463183 4.754644 5.705971 3.539913 3.492616 3.496277 4.592323 4.826920 2.915318 1.393461 1.333361 1.331841 3.959902 3.979636 4.747793 4.006885 4.085779 4.070874 4.124519 6.047486 4.014147 2.519215 0.000000 6.387731 7.585855 6.495660 7.164345 5.621983 1.338482 3.578402 6.309677 5.951929 5.075944 3.510563 1.336738 2.711161 5.299327 5.070590 6.041039 4.969748 4.510293 4.360484 4.114851 7.261264 4.890726 4.718858 2.258545 0.000000 5.024577 6.344167 4.694689 7.019580 5.415433 3.575631 1.333723 5.304928 6.531457 3.941627 3.547689 2.730455 1.339254 4.511116 4.938597 6.142615 3.807138 4.763311 3.551999 4.101245 7.892720 5.881274 4.267101 2.270427 2.355340 0.000000 6.190243 7.500710 5.985178 7.555326 6.115570 2.336575 2.340611 6.239807 6.713283 5.038179 4.069344 2.403209 2.392075 5.243543 5.345471 6.533473 4.578500 4.831635 3.939924 4.099674 8.094525 5.856625 5.062700 2.676890 1.393872 1.390818 0.000000 8.196671 9.245127 8.566794 7.993318 6.662856 1.438096 5.945433 7.892717 6.219249 6.842568 4.778802 2.671854 4.904575 6.838006 6.154357 6.771880 6.787642 5.382802 6.058827 5.314810 7.308326 4.878791 6.084037 4.004906 2.383357 4.738077 3.654741 0.000000 4.479151 5.742815 3.525271 7.604149 6.104971 5.949516 1.444307 5.204949 7.786704 3.963944 4.840110 4.921178 2.680189 4.854223 5.838984 7.052559 3.934652 6.032390 4.210864 5.320179 9.075286 7.488991 4.953339 4.011874 4.742407 2.388682 3.663275 7.123158 0.000000 2.264926 2.547186 3.408334 1.973064 2.987886 7.935061 6.572160 1.021350 3.620063 3.192969 4.435840 6.013470 5.140159 2.058512 2.580431 2.426190 3.307967 3.962239 4.469893 4.735048 4.291986 4.542913 3.278196 5.095248 6.866341 6.111151 6.964144 8.222158 6.166494 0.000000 3.007457 4.356401 2.423566 4.937763 5.085586 6.688967 3.813900 2.639919 5.779430 3.555344 4.855312 5.391472 3.729390 2.139640 3.403602 4.659312 1.081113 3.857401 2.153442 3.397054 7.021309 6.068840 4.381759 4.497976 5.558122 3.969372 4.952690 7.567835 3.427371 3.627387 0.000000 5.871895 6.823084 6.490619 3.783616 5.018546 5.173401 6.389004 4.596138 2.782555 5.559900 4.763046 4.426895 5.207070 3.397666 2.144184 2.728061 3.859702 1.083448 3.385745 2.144825 4.083161 2.779328 4.949239 4.627546 4.810646 5.507743 5.361728 5.182026 6.996354 4.659358 4.940006 0.000000 5.205654 6.610056 4.748441 6.055023 6.371664 5.332901 3.423590 4.578667 6.205991 5.156898 5.454063 4.902475 3.966817 3.398057 3.887744 5.390325 2.141791 3.389633 1.083789 2.153818 7.625793 6.147394 5.580825 4.582901 4.538622 3.494853 3.826859 6.360660 3.940382 5.413418 2.475756 4.285835 0.000000 6.326515 7.596125 6.396574 5.620484 6.360193 4.434134 5.016971 5.304482 5.066202 5.999549 5.436696 4.419607 4.756752 3.885230 3.410849 4.680399 3.396898 2.149005 2.155485 1.083389 6.464406 4.824313 5.833278 4.674829 4.118219 4.448723 4.125035 5.043031 5.871181 5.800386 4.296260 2.470723 2.489276 0.000000 2.302684 3.426327 2.451222 5.310339 3.157136 5.783206 3.459347 3.212415 5.430470 1.027452 2.411968 3.791257 1.856708 3.251823 4.060621 4.812832 3.293233 4.768926 4.109011 4.792034 6.522612 5.239742 2.033734 2.469387 4.458928 3.020630 4.219559 6.451510 2.991740 3.911474 3.248257 5.637714 4.599819 5.662544 0.000000 7.022091 7.166619 8.278250 3.698807 4.672107 7.813106 9.478993 5.999567 2.087102 6.668649 5.677142 6.432777 7.513810 5.739017 4.532955 3.280247 6.940860 4.891629 7.157316 6.256582 1.092002 2.585201 5.509578 6.497073 7.463771 8.391458 8.428097 7.155421 9.782527 5.342451 7.856837 4.324652 8.204791 6.762240 7.295344 0.000000 6.226285 6.234113 7.492379 2.384357 4.491808 8.603818 9.430821 5.036778 2.097782 6.310715 5.963151 7.042327 7.594290 5.021517 4.014077 2.552507 6.330895 4.709094 6.780443 6.086775 1.087218 3.367866 5.405833 6.817644 8.049506 8.516207 8.782289 8.202986 9.526622 4.223243 7.145988 4.395942 7.858081 6.765569 7.037786 1.782601 0.000000 5.797303 5.695073 7.171086 3.003074 3.365800 8.093336 9.006572 5.023536 2.113114 5.531739 4.936402 6.296968 6.924600 5.151379 4.275481 2.889039 6.479418 5.091557 7.019224 6.427762 1.095596 2.855472 4.423376 6.018687 7.476224 7.997506 8.307688 7.615059 9.069849 4.259892 7.235684 4.890959 8.089738 7.157730 6.321101 1.784435 1.772607 0.000000 5.707829 6.116252 6.846250 4.074608 2.986267 5.634752 7.331870 5.144083 2.090741 4.780967 3.189703 3.955688 5.200447 4.753539 3.767094 3.144737 5.748331 4.098832 5.934001 5.213652 2.615379 1.095689 3.459385 4.031284 5.142119 6.136689 6.175321 5.066101 7.711401 4.840684 6.606862 3.853711 6.893946 5.763341 5.239275 2.710419 3.665337 2.601402 0.000000 6.672513 7.272704 7.668255 4.339265 4.439636 5.355557 7.676004 5.754166 2.107133 5.910946 4.342202 4.302494 5.847114 5.008540 3.715425 3.268874 5.854838 3.501323 5.692337 4.630214 2.814403 1.094750 4.747662 4.732221 5.170902 6.488561 6.246975 4.681947 8.273600 5.502695 6.862889 2.826299 6.619741 4.925192 6.213559 2.523140 3.680120 3.411432 1.776549 0.000000 5.168973 5.959900 6.045825 3.853611 3.284885 4.444902 5.985481 4.422737 2.114922 4.291509 2.791688 2.920134 4.112467 3.607622 2.557136 2.652849 4.345973 2.516401 4.289667 3.491214 3.387708 1.085247 3.250376 3.079948 3.884625 4.825922 4.788126 4.196358 6.515187 4.409964 5.296603 2.402736 5.214354 4.015050 4.488867 3.640609 4.197876 3.743607 1.770026 1.771615 0.000000 7.071637 8.423578 6.723596 8.422050 7.173314 2.602690 2.614068 7.080776 7.603061 6.020578 5.147908 3.380392 3.372924 6.021168 6.138916 7.400960 5.191038 5.476563 4.369856 4.549799 9.007918 6.753436 6.119609 3.755704 2.170507 2.167808 1.078853 4.036709 4.053073 7.847415 5.502910 5.971229 4.010530 4.362642 5.156527 9.305456 9.665367 9.284718 7.137836 7.049146 5.686278 0.000000 9.237519 10.309633 9.564086 8.893418 7.727560 2.014859 6.689342 8.879255 7.068806 7.910401 5.866683 3.731932 5.882702 7.764938 7.036890 7.662648 7.648813 6.138582 6.796765 5.988383 8.119688 5.737368 7.166982 5.060018 3.241389 5.567000 4.351009 1.087963 7.950744 9.210830 8.437406 5.841742 7.008969 5.546245 7.489980 7.871019 8.995253 8.489841 5.968122 5.387558 5.120748 4.500423 0.000000 7.807978 8.813609 8.302063 7.137633 6.136988 2.091073 6.186568 7.324153 5.278772 6.566169 4.514866 2.662505 4.940388 6.248722 5.399439 5.907630 6.348980 4.599467 5.648127 4.732133 6.347643 3.953729 5.702102 3.926873 2.704361 4.941996 4.008858 1.091729 7.280721 7.562039 7.227469 4.262178 6.097299 4.501618 6.302769 6.156098 7.218477 6.736749 4.257641 3.654815 3.352179 4.509295 1.790700 0.000000 8.211335 9.159072 8.650682 8.212397 6.452647 2.091777 6.187037 8.077644 6.393825 6.726227 4.526169 2.657744 4.922809 7.167734 6.534868 7.021312 7.219629 5.961944 6.662045 6.017460 7.376542 4.986587 5.895563 3.919623 2.699323 4.936554 4.009480 1.091338 7.262438 8.367344 7.947636 5.804519 7.014947 5.891814 6.379546 7.221844 8.345355 7.534656 4.934034 4.882214 4.387093 4.516488 1.790612 1.780200 0.000000 3.546846 4.862768 2.545119 6.686252 5.480263 6.218325 2.103526 4.195647 7.090326 3.324759 4.555868 4.954004 2.667489 3.928438 5.041505 6.235240 3.041639 5.386800 3.586230 4.779928 8.351242 6.970484 4.412611 3.922963 4.963166 2.721604 4.041327 7.295430 1.089940 5.180541 2.426074 6.408251 3.484069 5.478811 2.477639 9.124986 8.717638 8.361011 7.244984 7.807451 6.053029 4.558786 8.177512 7.290092 7.475804 0.000000 5.252344 6.479770 4.101234 8.445197 7.135599 6.691830 2.017902 5.963103 8.747713 4.949203 5.926609 5.898261 3.737962 5.627931 6.678370 7.946675 4.566449 6.814182 4.766878 5.968889 10.050553 8.495559 6.004468 5.065495 5.571164 3.241843 4.357711 7.949061 1.087495 6.957631 3.911646 7.797294 4.287614 6.441411 4.016381 10.772184 10.451217 10.074902 8.763257 9.256039 7.510266 4.516066 8.706581 8.152473 8.140649 1.787309 0.000000 4.494015 5.601114 3.662237 7.889487 5.923381 6.170237 2.093254 5.496422 7.998992 3.757713 4.630433 4.950803 2.685939 5.329837 6.284068 7.351928 4.634307 6.601236 5.040179 6.049998 9.209063 7.634382 4.754162 3.949963 4.929134 2.705270 3.999400 7.256239 1.091567 6.389078 4.162283 7.527779 4.904614 6.643165 2.800837 9.916227 9.725848 9.079785 7.701813 8.468240 6.706056 4.500920 8.126404 7.474926 7.231258 1.781303 1.787129 0.000000 4.677970 5.310197 5.553791 5.045914 2.401430 4.572058 5.481714 4.749131 3.781780 3.217631 1.010344 2.370208 3.209176 4.411500 4.038659 4.128570 5.042458 4.430031 5.316515 5.049463 4.673159 2.862466 2.015305 2.019659 3.701868 4.288683 4.550470 4.436470 5.799476 4.849428 5.663905 4.674125 6.085433 5.670031 3.409342 5.042827 5.591182 4.436582 2.404709 3.675580 2.400193 5.607959 5.507854 4.075469 4.093718 5.533201 6.882988 5.596739 0.000000 C16H20N6O6S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1251,-2.2189,-.481;-3.3443,-2.3474,-1.2417;-1.446,-3.3701,.0966;-3.5454,1.4164,.9215;-1.8718,.4611,-2.0217;4.3642,1.8213,-.1308;3.01,-2.6109,.4797;-2.4285,-1.0944,.7213;-2.0656,2.9409,.1315;-.8746,-1.5322,-1.4276;.4014,.3574,-1.961;2.3872,1.0937,-1.071;1.7247,-1.1783,-.79;-1.3582,-.4432,1.3883;-1.2754,.9668,1.4021;-2.3767,1.7832,.7829;-.3749,-1.2014,2.0318;-.2293,1.5704,2.1087;.6837,-.5782,2.6817;.7548,.8124,2.7335;-3.1813,3.7237,-.3987;-.777,3.2389,-.4829;-.8808,-.2045,-1.8129;1.5582,.0634,-1.242;3.4819,.8384,-.3477;2.8125,-1.3989,-.0407;3.7527,-.4069,.217;4.0954,3.1143,-.6999;2.0667,-3.6587,.166;-3.206,-.4769,.4818;-.4615,-2.279,2.0238;-.1942,2.6516,2.1704;1.4414,-1.1826,3.1667;1.5616,1.3018,3.2658;.0505,-1.8906,-1.1603;-2.8643,4.7641,-.4962;-4.031,3.6599,.2765;-3.4858,3.3442,-1.3803;-.8933,3.2465,-1.5724;-.4216,4.2248,-.1665;-.0279,2.4984,-.2217;4.6336,-.5894,.8125;4.9384,3.7336,-.4008;3.1625,3.5235,-.3071;4.0323,3.0542,-1.7878;1.0643,-3.4096,.514;2.4413,-4.5357,.6887;2.0434,-3.8426,-.9097;.3577,1.3167,-2.275; 0.2093456 0.1624216 0.1213377 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= 766 RedAO= T EigKep= 1.51D-06 NBF= 766 NBsUse= 764 1.00D-06 EigRej= 7.46D-07 NBFU= 764 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= 787 787 787 787 787 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1800.25607590250 -1800.25607590251 -0.000000000015 -1800.25607590 2 1.794349498995e+03 -1.096533400732e+04 3.998390878677e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245441061 LenY= 4244808241 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= 49. Will process 50 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 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. 15163 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 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= 800000000 NMat= 147 IRICut= 367 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 147 NMatS0= 147 NMatT0= 0 NMatD0= 147 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 78.64% of shell-pairs survive, threshold= 0.20 IRatSp=79. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 7.25D-14 1.00D-09 XBig12= 3.24D+02 6.52D+00. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 7.25D-14 1.00D-09 XBig12= 1.12D+02 1.33D+00. 147 vectors produced by pass 2 Test12= 7.25D-14 1.00D-09 XBig12= 8.90D-01 5.67D-02. 147 vectors produced by pass 3 Test12= 7.25D-14 1.00D-09 XBig12= 5.00D-03 4.40D-03. 147 vectors produced by pass 4 Test12= 7.25D-14 1.00D-09 XBig12= 1.57D-05 2.85D-04. 136 vectors produced by pass 5 Test12= 7.25D-14 1.00D-09 XBig12= 2.76D-08 1.18D-05. 63 vectors produced by pass 6 Test12= 7.25D-14 1.00D-09 XBig12= 3.50D-11 4.09D-07. 5 vectors produced by pass 7 Test12= 7.25D-14 1.00D-09 XBig12= 4.75D-14 1.97D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 939 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 264.60 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 287.987 9.244 298.939 35.521 -16.948 206.881 454.676 18.019 471.409 79.480 -33.405 334.721 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT229693S 2022-03-23T03:13:12.000 -89.10143 -19.19228 -19.19080 -19.13532 -19.13525 -19.12375 -19.10213 -14.38190 -14.36874 -14.36242 -14.36137 -14.34376 -14.34007 -10.34015 -10.32130 -10.30901 -10.30778 -10.29046 -10.24831 -10.24726 -10.23949 -10.22244 -10.21251 -10.20536 -10.20444 -10.20077 -10.19851 -10.19738 -10.19600 -8.15998 -6.12324 -6.12206 -6.12181 -1.15307 -1.11959 -1.11419 -1.09321 -1.05725 -1.03684 -1.03509 -0.96704 -0.95914 -0.95149 -0.93517 -0.91895 -0.87672 -0.82225 -0.79044 -0.77163 -0.76478 -0.73898 -0.72798 -0.71911 -0.71359 -0.69170 -0.65894 -0.65076 -0.64252 -0.61303 -0.59575 -0.59080 -0.58114 -0.57183 -0.55162 -0.54516 -0.53492 -0.53280 -0.52241 -0.51980 -0.51012 -0.50008 -0.49880 -0.49654 -0.49287 -0.48677 -0.48112 -0.47288 -0.46698 -0.46290 -0.45646 -0.45505 -0.44591 -0.44145 -0.42849 -0.42441 -0.42247 -0.41645 -0.40127 -0.39756 -0.39411 -0.38939 -0.38644 -0.38468 -0.38304 -0.37996 -0.37066 -0.36026 -0.35579 -0.34761 -0.33534 -0.33491 -0.32199 -0.31230 -0.30844 -0.30411 -0.30145 -0.28875 -0.27408 -0.26257 -0.26009 -0.25448 -0.06098 -0.05169 -0.04370 -0.03954 -0.02082 -0.00516 -0.00460 0.00331 0.00449 0.01189 0.01419 0.01819 0.02119 0.02400 0.03008 0.03655 0.03799 0.04146 0.04355 0.04416 0.04780 0.05334 0.05596 0.05882 0.06307 0.06631 0.06779 0.07314 0.07469 0.07783 0.08185 0.08501 0.08685 0.08707 0.09207 0.09606 0.09710 0.09951 0.10173 0.10477 0.10696 0.11075 0.11525 0.11632 0.12200 0.12531 0.12729 0.13145 0.13233 0.13571 0.13737 0.13795 0.13909 0.14204 0.14280 0.14582 0.14895 0.15308 0.15474 0.16038 0.16208 0.16378 0.16538 0.16916 0.17131 0.17322 0.17612 0.17706 0.18416 0.18475 0.18812 0.19188 0.19553 0.19595 0.19836 0.20034 0.20401 0.20533 0.20795 0.21095 0.21208 0.21557 0.22013 0.22247 0.22393 0.22687 0.22872 0.23071 0.23418 0.23732 0.24048 0.24146 0.24274 0.24580 0.24803 0.25096 0.25410 0.25645 0.25855 0.26112 0.26358 0.26878 0.26977 0.27045 0.27577 0.27717 0.27971 0.28198 0.28324 0.28531 0.28869 0.28965 0.29119 0.29406 0.30085 0.30267 0.30627 0.30803 0.31021 0.31279 0.31645 0.31738 0.31993 0.32401 0.32528 0.32763 0.32796 0.33086 0.33574 0.34036 0.34266 0.34450 0.34939 0.35181 0.35505 0.35886 0.35969 0.36557 0.36994 0.37133 0.37685 0.37803 0.38490 0.38785 0.38944 0.39196 0.39572 0.40257 0.40556 0.40776 0.40993 0.41084 0.41652 0.41832 0.42125 0.42433 0.42960 0.43360 0.43599 0.44025 0.44226 0.44954 0.45749 0.46406 0.46558 0.47259 0.47500 0.48137 0.48882 0.49160 0.50237 0.51111 0.51390 0.52015 0.52118 0.53086 0.53618 0.54456 0.55010 0.55321 0.55922 0.56217 0.56786 0.57112 0.57270 0.58317 0.58601 0.58958 0.59707 0.60184 0.60549 0.61306 0.61582 0.62671 0.62998 0.63692 0.63805 0.64553 0.65005 0.65718 0.66529 0.66907 0.67258 0.67850 0.68467 0.69027 0.69305 0.69438 0.70080 0.70305 0.70654 0.70741 0.71595 0.71897 0.72723 0.73001 0.73383 0.73725 0.74005 0.74210 0.75093 0.75344 0.75727 0.76502 0.76708 0.77284 0.77820 0.78404 0.78721 0.79207 0.79624 0.80419 0.81122 0.82091 0.83197 0.83701 0.83809 0.84679 0.85661 0.86077 0.86870 0.87004 0.88348 0.88940 0.89477 0.90325 0.91000 0.91572 0.92231 0.92642 0.93073 0.93987 0.94128 0.94453 0.96216 0.96438 0.97284 0.97688 0.98345 0.99122 0.99856 1.00403 1.00648 1.01485 1.02201 1.02611 1.03265 1.03518 1.04177 1.05030 1.05531 1.05842 1.06708 1.07005 1.07604 1.07896 1.09064 1.09946 1.10479 1.11729 1.12274 1.12503 1.12879 1.13799 1.15216 1.15811 1.16284 1.17005 1.17699 1.18293 1.19287 1.19401 1.19919 1.20633 1.20896 1.21540 1.22253 1.22787 1.23558 1.23832 1.24266 1.24879 1.25253 1.25600 1.26401 1.28748 1.29721 1.29872 1.30307 1.31359 1.31568 1.32739 1.33488 1.34576 1.35135 1.35353 1.35484 1.36672 1.37212 1.38502 1.39348 1.40353 1.41488 1.42073 1.43346 1.45104 1.45883 1.46885 1.47353 1.49360 1.50007 1.50386 1.50764 1.51487 1.51857 1.52294 1.53175 1.53814 1.54506 1.55203 1.55750 1.56791 1.57982 1.58148 1.58375 1.58882 1.59144 1.59733 1.60256 1.61582 1.62089 1.62431 1.62866 1.63587 1.64079 1.64772 1.65233 1.65936 1.66891 1.67701 1.68237 1.68612 1.69278 1.69666 1.70321 1.71161 1.71386 1.72459 1.72730 1.73667 1.75086 1.75506 1.75942 1.76806 1.77310 1.77496 1.77948 1.79351 1.79890 1.80179 1.80603 1.82173 1.82468 1.83025 1.83533 1.86146 1.86887 1.88174 1.89334 1.89612 1.90641 1.91032 1.91188 1.91570 1.92220 1.93277 1.94209 1.94898 1.96034 1.97072 1.97493 1.98288 1.98743 1.99820 2.00130 2.01051 2.01545 2.02155 2.02750 2.03222 2.05524 2.06003 2.06605 2.08195 2.09421 2.09655 2.10053 2.11545 2.11687 2.12155 2.13388 2.14988 2.16072 2.16807 2.17582 2.18280 2.20585 2.21803 2.24151 2.25181 2.25451 2.27875 2.28653 2.31579 2.32087 2.35830 2.36693 2.38006 2.39579 2.40349 2.41556 2.42554 2.43724 2.44898 2.45045 2.46035 2.46612 2.48235 2.48610 2.48791 2.49320 2.50351 2.51396 2.51707 2.52238 2.52970 2.53165 2.53945 2.55152 2.55451 2.56555 2.57444 2.57915 2.58427 2.59010 2.59226 2.61768 2.64252 2.65426 2.65998 2.66551 2.67239 2.67575 2.68263 2.68898 2.70679 2.72146 2.72950 2.74367 2.74612 2.75842 2.76545 2.77293 2.77554 2.77884 2.79278 2.79814 2.81294 2.81378 2.82040 2.82416 2.82655 2.83755 2.84391 2.84855 2.85447 2.86075 2.87020 2.87652 2.87963 2.88508 2.89191 2.89722 2.90296 2.92112 2.92996 2.93863 2.95286 2.96220 2.96827 2.97615 2.98729 2.98758 3.00704 3.00879 3.01373 3.02471 3.03664 3.04006 3.04669 3.05641 3.06610 3.06810 3.07877 3.10152 3.10408 3.11803 3.13758 3.14212 3.14820 3.16323 3.19005 3.19575 3.21478 3.22264 3.24054 3.27194 3.28091 3.33977 3.36404 3.36480 3.38428 3.38564 3.40312 3.41472 3.42642 3.45928 3.46705 3.49289 3.49376 3.51871 3.52858 3.54901 3.56483 3.58570 3.59307 3.61530 3.62101 3.66710 3.67766 3.72208 3.73992 3.75602 3.76939 3.77166 3.78277 3.79848 3.80187 3.81427 3.83696 3.88259 3.89066 3.94617 3.95712 3.97677 3.99606 4.00703 4.01824 4.03117 4.04584 4.06368 4.06847 4.07441 4.08455 4.10504 4.17415 4.17883 4.28174 4.29366 4.34682 4.41586 4.43420 4.60229 4.67885 4.74495 4.83190 4.84788 4.89123 4.97156 4.99734 5.02213 5.04315 5.04981 5.06138 5.07285 5.12715 5.14101 5.16831 5.17903 5.20933 5.26370 5.27261 5.28772 5.34675 5.37591 5.40701 5.76255 5.81984 5.83002 5.85209 8.19973 17.35202 17.43240 17.55651 23.64396 23.73602 23.85396 23.86847 23.89075 23.89834 23.91481 23.92284 23.93349 23.95987 23.97596 24.01136 24.04874 24.08073 24.08761 24.17570 35.53637 35.55398 35.58316 35.60390 35.68112 35.71189 49.87903 49.92773 49.93890 49.96772 50.03184 50.04035 189.31217 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 S O O O O O O N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.508815 0.001468 -0.205154 -0.252332 -0.178062 -0.119250 -0.118262 -0.371640 0.086009 -0.330314 -0.101597 -0.105545 -0.111892 0.024173 1.270546 -0.937317 -0.514001 -0.495138 -0.266978 -0.198347 -0.219396 -0.485733 0.083520 -0.056800 0.130241 0.313106 -0.554521 -0.212562 -0.227749 0.339898 0.172844 0.138578 0.134908 0.127556 0.349640 0.135304 0.174199 0.175473 0.153735 0.158982 0.163257 0.141674 0.165398 0.159093 0.164985 0.186643 0.165642 0.167509 0.269395 -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 29 S O O O O O O N N N N N N C C C C C C C C C C C C C C C C 0.508815 0.001468 -0.205154 -0.252332 -0.178062 -0.119250 -0.118262 -0.031741 0.086009 0.019326 0.167797 -0.105545 -0.111892 0.024173 1.270546 -0.937317 -0.341156 -0.356560 -0.132070 -0.070790 0.265580 -0.009759 0.083520 -0.056800 0.130241 0.313106 -0.412847 0.276913 0.292044 -0.00000 3.09267392e+00 2.11710595e+00 2.84216433e-01 2.87986743e+02 9.24446142e+00 2.98939350e+02 3.55209456e+01 -1.69480517e+01 2.06881441e+02 -3.9339 -1.7937 -0.0017 -0.0013 -0.0009 4.1400 17.0361 20.1532 44.5963 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.0267 20.1423 44.5949 60.9093 69.1379 71.9910 86.9354 93.1003 101.0107 115.6976 122.4888 127.2602 136.2684 137.4928 151.1713 174.3428 181.9443 183.7515 202.7060 219.2680 225.0283 230.3350 237.6737 254.5351 265.1442 275.1299 298.1473 325.3554 332.7363 346.6382 354.1444 370.2567 383.7144 411.3186 426.6444 438.7051 443.4314 497.8749 517.0008 532.8472 541.6936 567.1160 601.2268 627.4194 630.2196 645.3684 667.3029 688.0670 690.7777 699.1196 710.5198 721.8604 737.3078 739.6062 764.8666 778.3316 788.2919 800.7710 805.7956 831.0131 853.7768 881.6028 888.9929 908.5068 938.9233 939.8839 985.1829 996.0528 1007.9658 1008.3261 1028.1046 1067.9130 1076.9398 1080.6992 1089.4232 1114.8424 1123.0504 1123.9887 1144.3662 1163.3317 1164.1131 1172.5897 1189.0258 1199.2146 1217.9607 1220.0526 1224.0856 1236.7424 1249.7378 1280.2909 1294.4646 1320.4824 1320.9686 1343.9239 1375.1187 1405.4234 1412.4747 1430.7023 1444.8299 1447.3372 1475.4017 1478.2945 1481.6204 1486.1367 1487.6471 1493.8047 1496.8559 1498.6810 1508.1601 1512.3548 1515.6316 1522.9754 1527.4188 1532.9104 1544.7621 1603.9798 1613.9399 1638.7176 1640.9732 1678.0451 1781.0261 3007.2321 3020.8192 3040.9342 3049.8742 3053.3848 3086.7198 3113.1613 3131.5827 3150.5509 3152.2341 3159.8452 3167.7436 3170.8382 3180.7368 3193.4428 3215.2541 3239.8441 3302.0878 3441.9315 3617.5241 5.6764 5.5908 5.0648 4.4189 5.2812 6.4881 3.8140 3.4716 9.7084 7.7511 2.5105 3.5427 3.2359 1.7478 6.4700 3.2118 1.8294 1.4349 2.6792 2.3805 4.3987 4.5476 3.3337 4.5006 2.9408 6.6047 2.0851 3.9313 5.3652 5.0516 4.5023 4.8315 6.3665 6.8656 3.6465 7.3042 3.3170 8.6906 6.9216 5.4586 4.5212 4.8025 4.6588 5.1578 5.7825 5.7546 1.8034 3.3756 2.2061 3.2971 9.3134 3.2573 5.8648 2.3663 2.9783 1.4918 3.1523 4.5395 4.2423 2.3916 2.3746 3.9592 2.7836 1.5403 4.8702 4.3743 1.3748 5.8003 9.5018 1.3116 7.3795 2.6125 2.0841 1.5075 2.1528 3.2486 1.3012 6.1470 1.8191 1.2846 1.4041 1.2678 1.6473 1.1246 2.0348 1.8546 2.4647 2.8396 2.8062 3.8045 3.0592 3.1170 6.3604 4.3802 2.4039 2.0637 2.3924 1.9276 1.1695 1.8581 1.5762 1.3974 1.7735 1.0761 1.1201 1.1004 1.1400 1.1418 1.0551 1.1671 1.4060 1.8625 2.3510 1.3397 1.7261 8.0686 5.2088 6.5290 5.8169 7.6932 7.6457 1.0408 1.0422 1.0302 1.0315 1.1032 1.0982 1.1070 1.1044 1.1058 1.0998 1.1072 1.0929 1.0880 1.0907 1.0963 1.0933 1.0941 1.0793 1.0770 1.0760 0.0010 0.0013 0.0059 0.0097 0.0149 0.0198 0.0170 0.0177 0.0584 0.0611 0.0222 0.0338 0.0354 0.0195 0.0871 0.0575 0.0357 0.0285 0.0649 0.0674 0.1312 0.1422 0.1110 0.1718 0.1218 0.2946 0.1092 0.2452 0.3500 0.3576 0.3327 0.3902 0.5523 0.6844 0.3911 0.8283 0.3843 1.2692 1.0900 0.9131 0.7816 0.9100 0.9922 1.1963 1.3532 1.4122 0.4731 0.9416 0.6202 0.9495 2.7702 1.0000 1.8784 0.7627 1.0266 0.5325 1.1541 1.7150 1.6229 0.9731 1.0198 1.8130 1.2961 0.7490 2.5296 2.2767 0.7862 3.3905 5.6879 0.7857 4.5957 1.7554 1.4241 1.0374 1.5054 2.3789 0.9669 4.5755 1.4036 1.0243 1.1211 1.0271 1.3722 0.9528 1.7785 1.6265 2.1759 2.5590 2.5823 3.6743 3.0202 3.2022 6.5392 4.6612 2.6782 2.4016 2.8122 2.3247 1.4384 2.2933 2.0216 1.7992 2.2938 1.4003 1.4605 1.4467 1.5049 1.5109 1.4140 1.5728 1.9030 2.5453 3.2317 1.8547 2.4269 12.2305 7.9939 10.3302 9.2288 12.7634 14.2893 5.5457 5.6036 5.6127 5.6533 6.0598 6.1650 6.3212 6.3814 6.4670 6.4386 6.5135 6.4616 6.4450 6.5017 6.5873 6.6591 6.7664 6.9336 7.5172 8.2963 0.3818 0.1499 0.2988 0.8901 1.1009 0.7381 6.2223 1.7928 2.3294 6.6299 0.4937 1.0265 0.3376 0.3337 1.7784 0.3284 2.2859 0.2937 7.7921 2.8945 3.9515 4.2104 4.9437 0.6848 0.6334 1.3523 3.2579 0.4103 3.6904 1.4564 8.0652 4.1404 8.6945 7.7032 4.0986 1.4136 4.6653 87.6819 5.6737 32.2691 1.4631 13.2823 55.2646 20.9628 20.2245 7.2226 53.4958 21.3125 45.9121 6.7326 6.2890 20.5597 3.7217 36.0535 153.2208 62.2367 42.8449 9.4587 2.0088 64.2257 4.5953 71.3295 43.0548 11.4741 12.5357 11.1030 9.9675 25.7753 9.0315 0.4652 20.0336 23.8212 12.9813 13.6759 32.1477 50.7736 25.7302 327.7859 29.8162 8.0014 16.3334 0.5409 102.8866 0.2758 87.1068 32.8930 142.4795 176.5868 218.3606 78.4635 9.6507 10.0712 37.0000 220.9700 81.2545 355.4373 146.0323 78.4970 3.1776 68.8360 110.0130 28.1482 17.4026 1.2565 17.0484 14.2788 59.9056 7.9413 3.9355 33.1179 43.4361 25.4783 25.2946 86.3630 254.2449 379.2319 8.3864 528.7518 129.7277 319.9837 412.9280 37.8252 48.6877 34.5394 23.6650 28.4651 22.3581 21.2765 8.7195 18.2431 3.1164 13.4284 6.0421 1.6049 4.6832 7.8059 0.7263 1.1551 443.0367 182.3917 47.3894 -0.02 -0.02 -0.01 -0.03 -0.01 0.00 -0.03 -0.02 -0.01 0.10 0.04 -0.04 -0.04 -0.05 -0.06 -0.12 0.11 -0.01 -0.03 0.09 0.08 -0.01 -0.01 -0.01 0.17 -0.01 -0.01 -0.03 -0.03 -0.02 -0.04 -0.03 -0.06 -0.08 0.04 -0.04 -0.04 0.03 0.01 0.01 -0.05 0.01 0.07 -0.05 -0.01 0.12 -0.01 -0.02 -0.04 -0.09 0.04 0.09 -0.09 0.01 -0.03 -0.13 0.06 0.04 -0.13 0.04 0.21 0.04 -0.01 0.20 -0.04 0.04 -0.04 -0.04 -0.05 -0.05 0.01 -0.03 -0.09 0.08 -0.00 -0.05 0.08 0.04 -0.08 0.10 0.04 -0.14 0.09 -0.05 -0.00 0.06 0.09 0.02 0.02 -0.02 -0.09 -0.08 0.05 0.14 -0.10 0.00 -0.07 -0.16 0.08 0.05 -0.17 0.05 -0.03 -0.02 -0.01 0.25 0.03 0.02 0.19 0.05 -0.03 0.22 0.07 -0.03 0.22 0.04 0.04 0.24 -0.07 0.11 0.16 -0.09 0.01 -0.09 0.14 0.06 -0.16 0.12 -0.04 -0.16 0.08 -0.08 -0.11 0.06 -0.05 -0.02 0.05 0.05 0.00 0.09 0.12 0.03 0.03 0.09 -0.05 -0.04 -0.09 0.00 -0.00 0.04 -0.02 -0.01 0.09 0.02 0.01 0.04 0.05 0.02 0.01 -0.02 -0.03 -0.02 -0.13 0.01 0.19 -0.01 -0.07 -0.08 0.06 0.03 0.02 0.02 0.02 -0.05 -0.02 -0.03 -0.02 -0.02 -0.03 -0.03 -0.07 -0.01 0.07 -0.01 -0.05 -0.06 0.08 0.04 -0.03 0.07 0.04 -0.04 0.05 0.03 -0.02 0.11 0.05 -0.05 0.08 0.06 -0.08 0.12 0.07 -0.09 0.11 0.07 -0.10 0.00 0.00 -0.03 0.01 0.02 -0.09 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 -0.09 -0.01 0.10 -0.03 -0.05 -0.03 -0.07 -0.03 0.04 -0.17 0.03 0.27 0.01 -0.07 -0.13 0.04 0.02 0.04 0.12 0.05 -0.04 0.08 0.06 -0.09 0.14 0.08 -0.11 0.12 0.08 -0.13 -0.02 -0.04 -0.05 -0.00 0.00 -0.06 0.02 0.01 -0.01 -0.02 -0.02 -0.02 -0.02 -0.01 -0.09 0.00 0.03 -0.12 0.02 0.03 -0.09 -0.08 -0.03 0.07 -0.21 0.05 0.34 -0.20 -0.03 0.26 -0.13 0.11 0.26 0.00 -0.11 -0.13 0.03 -0.09 -0.16 0.03 -0.03 -0.14 -0.02 -0.03 -0.01 -0.02 0.01 -0.04 -0.02 0.05 -0.04 -0.04 -0.02 -0.07 0.01 -0.01 0.13 0.03 0.01 -0.04 -0.00 0.01 0.02 -0.08 0.05 0.18 0.01 -0.01 -0.01 -0.05 0.00 0.04 0.00 0.00 -0.02 0.03 -0.02 -0.03 0.02 -0.01 -0.01 -0.01 0.01 0.06 0.03 -0.02 -0.04 0.05 -0.02 -0.05 0.00 -0.01 0.04 0.05 -0.03 -0.08 0.10 -0.03 -0.12 0.10 -0.04 -0.14 0.13 -0.04 -0.17 -0.10 0.02 0.17 -0.12 -0.01 -0.10 0.02 -0.00 -0.03 0.01 -0.01 0.01 -0.01 0.01 0.04 -0.04 0.03 0.11 -0.05 0.03 0.11 0.05 -0.02 -0.08 -0.04 0.03 0.14 0.00 -0.01 0.02 0.03 -0.02 -0.06 0.12 -0.03 -0.12 0.11 -0.04 -0.18 0.17 -0.05 -0.22 -0.00 -0.00 -0.00 -0.10 0.02 0.15 -0.03 0.03 0.27 -0.21 0.04 0.20 -0.22 -0.09 -0.09 -0.11 0.01 -0.20 -0.08 0.02 -0.12 -0.07 0.05 0.15 0.05 -0.02 -0.08 0.04 0.02 -0.14 0.10 -0.10 -0.07 -0.07 0.03 0.05 -0.07 0.05 0.20 0.05 -0.01 0.15 0.05 -0.03 -0.05 0.01 -0.05 0.00 0.03 -0.09 -0.03 -0.01 -0.02 0.07 -0.02 0.05 -0.09 0.01 -0.10 -0.02 -0.01 0.01 -0.02 0.08 -0.02 -0.02 -0.03 0.01 -0.06 0.01 0.12 0.09 0.03 -0.08 0.01 0.00 -0.05 0.01 -0.00 -0.03 -0.00 0.03 -0.04 0.00 -0.04 0.02 -0.05 -0.03 0.02 -0.05 -0.02 0.05 -0.04 -0.05 0.02 -0.02 -0.04 0.02 -0.04 -0.06 0.02 -0.02 -0.05 0.02 -0.03 0.03 0.26 0.26 -0.02 0.08 0.01 0.02 -0.08 -0.00 0.01 -0.04 0.00 0.01 -0.01 -0.02 0.05 -0.02 -0.02 0.04 -0.01 -0.03 -0.07 0.02 0.02 0.07 -0.02 0.03 -0.01 0.01 -0.12 -0.06 0.02 -0.01 -0.04 0.02 -0.04 -0.07 0.02 -0.00 -0.05 0.02 -0.02 0.02 -0.07 0.03 0.08 0.25 0.39 0.06 0.21 0.30 -0.06 0.42 0.23 -0.08 0.12 0.02 0.05 0.05 0.02 -0.04 0.04 -0.06 0.06 0.00 -0.05 -0.08 0.04 0.02 -0.07 -0.03 0.05 -0.09 0.04 0.02 0.08 -0.02 0.06 0.09 -0.01 0.03 0.03 -0.04 0.03 -0.01 -0.05 0.02 -0.07 0.04 0.01 -0.03 0.12 -0.07 -0.15 0.00 0.02 -0.03 0.08 0.16 0.06 0.00 0.01 0.01 0.05 -0.02 0.14 0.00 -0.04 -0.08 0.03 0.02 -0.01 -0.04 -0.04 0.01 0.01 0.09 0.06 -0.06 -0.03 0.04 -0.02 -0.03 0.08 -0.03 -0.02 -0.07 -0.00 0.03 -0.02 -0.01 0.02 -0.02 0.02 0.05 -0.09 -0.03 0.02 0.02 -0.04 -0.02 -0.06 -0.07 -0.00 0.01 -0.07 -0.03 -0.01 -0.04 -0.05 -0.03 -0.14 -0.13 0.05 -0.01 0.03 0.06 -0.03 -0.03 0.06 0.01 -0.05 0.11 -0.01 -0.05 0.11 0.01 -0.08 -0.13 0.09 0.14 0.09 0.01 0.07 -0.07 0.04 0.01 -0.14 -0.03 0.03 0.07 -0.04 -0.04 -0.07 -0.09 -0.01 0.04 -0.10 -0.06 -0.00 -0.03 0.10 0.03 -0.06 -0.16 0.03 0.06 0.01 -0.08 -0.11 0.00 -0.08 -0.28 -0.13 -0.01 -0.10 -0.27 -0.03 -0.11 -0.06 0.12 0.02 -0.10 -0.17 0.13 0.17 -0.14 -0.04 0.23 -0.18 0.21 0.13 0.12 0.06 0.12 0.10 0.03 0.09 0.02 -0.04 0.08 0.07 -0.06 -0.06 -0.05 -0.03 0.02 -0.03 -0.02 -0.00 -0.05 -0.04 0.00 0.04 -0.06 -0.18 -0.06 0.02 0.14 0.08 -0.00 -0.04 0.06 0.00 -0.05 -0.07 -0.05 0.05 0.02 0.01 -0.05 -0.03 0.02 0.08 -0.07 0.09 0.20 -0.01 0.06 0.11 -0.03 0.06 0.10 -0.04 -0.04 -0.01 0.03 -0.04 -0.11 0.04 -0.03 -0.12 -0.06 -0.05 0.00 0.10 -0.06 -0.19 0.01 -0.07 -0.09 0.09 -0.07 -0.20 -0.01 -0.03 -0.07 0.02 0.12 0.00 -0.05 0.04 0.14 -0.04 0.07 0.14 0.05 0.02 0.01 0.04 0.02 0.00 0.08 -0.01 -0.06 0.04 0.03 0.05 -0.01 0.04 0.03 -0.05 -0.02 0.03 -0.12 -0.05 0.08 0.16 -0.06 -0.23 0.00 -0.08 -0.09 0.15 -0.08 -0.27 -0.03 0.03 0.09 -0.04 -0.02 -0.07 -0.01 -0.05 -0.07 0.01 -0.05 -0.06 0.05 0.21 0.00 -0.04 0.12 0.09 0.05 0.14 -0.04 0.13 -0.04 -0.15 0.08 0.00 -0.01 0.09 0.02 0.17 -0.07 0.08 0.06 0.03 0.07 0.12 0.01 0.02 -0.01 -0.11 0.05 0.03 -0.08 0.10 0.22 -0.06 0.01 0.01 -0.05 0.06 -0.02 -0.12 -0.03 0.01 -0.03 0.03 0.01 0.01 -0.05 -0.01 -0.04 0.05 0.05 0.09 -0.00 -0.01 -0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.03 0.04 0.00 -0.03 0.05 -0.03 0.00 0.06 0.03 -0.01 0.04 -0.01 0.01 -0.01 -0.03 0.01 0.03 -0.02 0.02 0.02 0.03 0.00 -0.08 -0.03 0.00 0.03 0.03 0.00 -0.09 -0.00 -0.00 -0.02 0.03 -0.00 -0.05 0.03 -0.00 0.05 0.00 -0.04 0.02 -0.00 -0.01 0.06 -0.03 0.03 0.08 0.03 0.01 0.05 -0.02 0.04 0.10 0.06 -0.03 -0.18 0.21 -0.07 -0.17 -0.03 0.03 0.00 0.06 0.00 -0.13 -0.05 0.00 0.07 0.06 -0.00 -0.14 -0.00 -0.01 -0.02 -0.02 -0.04 0.06 0.03 0.00 -0.03 -0.01 -0.01 -0.10 0.09 0.01 -0.08 0.07 0.04 0.05 0.04 -0.02 0.10 0.01 -0.02 0.06 -0.01 0.06 0.09 0.07 -0.02 -0.21 0.05 0.07 -0.33 0.15 -0.21 -0.17 0.17 -0.21 -0.19 0.28 -0.09 -0.25 0.29 0.05 -0.19 -0.01 -0.03 0.05 -0.03 0.01 -0.02 -0.05 0.07 -0.00 -0.07 -0.03 -0.04 -0.02 -0.04 -0.03 0.01 -0.03 -0.03 0.02 -0.01 -0.08 0.01 0.01 0.07 0.03 0.01 -0.01 -0.02 -0.01 0.03 -0.01 -0.03 -0.03 -0.00 -0.03 0.01 0.01 -0.03 -0.02 0.00 -0.03 0.02 0.04 0.01 -0.03 -0.02 0.02 0.05 -0.02 -0.01 0.03 0.11 0.03 -0.12 -0.05 0.03 0.08 0.10 0.04 -0.11 0.01 0.04 0.00 0.00 -0.04 -0.06 0.04 0.08 0.19 0.00 -0.03 -0.02 0.00 -0.03 0.00 0.03 -0.02 -0.05 0.02 -0.01 0.01 0.04 -0.02 -0.06 -0.10 0.03 0.07 -0.00 0.00 0.15 0.02 0.01 0.02 0.16 0.02 -0.18 -0.11 0.03 0.15 0.15 0.05 -0.19 -0.01 0.05 0.02 -0.02 -0.04 -0.01 -0.05 -0.01 0.06 -0.08 -0.14 -0.18 0.16 0.01 -0.13 0.12 0.26 0.18 0.03 0.02 0.37 0.01 0.02 0.12 0.06 -0.01 -0.07 -0.11 0.04 0.05 -0.08 -0.06 0.20 -0.20 0.13 0.07 -0.01 0.06 0.11 -0.03 0.04 0.24 0.01 -0.10 0.17 0.00 -0.02 0.02 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.02 -0.05 -0.03 -0.04 -0.16 0.05 0.22 0.56 -0.09 0.04 0.05 -0.03 0.02 0.08 -0.02 -0.04 0.01 0.02 0.02 0.03 -0.02 0.03 -0.00 0.07 -0.08 -0.15 0.04 -0.06 -0.13 0.07 -0.07 -0.13 -0.01 -0.02 -0.01 -0.05 -0.02 -0.01 -0.02 -0.02 -0.06 0.02 0.00 -0.04 -0.06 0.00 -0.01 0.02 0.02 -0.06 -0.02 0.02 -0.04 0.05 0.03 0.00 0.02 -0.04 -0.00 0.03 0.07 0.17 0.07 -0.08 -0.15 -0.03 -0.00 -0.01 -0.00 -0.01 -0.00 -0.06 0.03 0.08 -0.08 -0.00 -0.05 0.04 -0.03 0.04 -0.00 -0.02 -0.01 0.05 -0.00 -0.06 -0.09 0.00 0.00 0.05 0.04 -0.10 -0.03 0.04 -0.04 -0.02 -0.09 -0.17 0.08 0.02 -0.03 0.04 0.08 0.00 0.04 0.01 0.02 0.00 -0.07 0.00 0.06 -0.05 -0.03 0.00 -0.06 0.00 -0.14 0.08 0.20 -0.16 0.06 0.05 -0.16 -0.03 -0.21 0.09 -0.06 -0.05 -0.01 -0.03 -0.11 0.00 0.02 0.14 0.18 -0.10 0.05 0.06 -0.04 -0.06 0.05 -0.06 -0.07 0.05 -0.21 -0.04 0.10 0.01 0.03 -0.03 0.22 0.28 -0.08 -0.02 0.20 0.03 -0.02 -0.06 -0.01 0.00 0.01 0.02 0.05 -0.17 0.03 0.01 -0.06 0.00 -0.07 -0.13 -0.07 0.05 0.12 -0.05 0.02 0.08 -0.05 0.02 0.07 -0.01 0.04 -0.11 -0.02 0.04 0.00 -0.02 0.10 0.09 0.00 0.01 -0.16 -0.03 -0.00 0.05 -0.00 -0.02 -0.11 -0.02 -0.03 -0.00 0.09 0.04 -0.12 0.05 -0.09 -0.06 -0.04 -0.01 0.07 -0.06 0.03 0.09 -0.01 -0.00 0.00 -0.02 0.00 0.02 0.01 -0.01 -0.03 -0.00 -0.00 0.00 -0.02 0.00 0.05 0.01 0.01 -0.22 0.02 0.01 -0.22 -0.05 -0.00 0.12 -0.00 -0.06 -0.15 -0.03 -0.06 0.04 0.01 -0.05 -0.13 0.10 0.05 -0.06 0.03 0.02 -0.20 0.18 0.08 -0.17 0.08 -0.22 -0.06 0.04 -0.06 -0.17 0.03 -0.06 0.06 0.05 -0.03 -0.09 0.05 -0.03 -0.09 0.06 0.02 0.13 -0.14 0.02 0.01 -0.01 0.02 0.05 -0.02 0.01 0.07 -0.03 -0.02 0.05 -0.09 0.07 0.18 -0.02 0.00 -0.03 -0.05 0.05 0.01 -0.03 -0.02 -0.07 0.05 -0.02 -0.08 -0.02 0.02 0.03 0.02 -0.01 -0.06 0.03 -0.00 0.03 0.06 0.01 -0.02 0.03 0.03 0.03 -0.03 -0.02 -0.07 -0.02 0.01 0.05 -0.03 -0.01 0.04 -0.03 -0.01 0.07 0.06 0.00 -0.03 0.04 0.00 -0.01 0.05 -0.01 -0.03 0.06 0.01 -0.01 -0.01 0.02 0.05 0.00 0.02 0.07 -0.04 0.02 0.11 -0.02 -0.03 0.05 -0.02 -0.02 -0.11 -0.02 0.01 0.00 -0.03 -0.01 0.06 0.00 -0.01 -0.01 0.00 -0.00 0.03 0.02 -0.01 -0.02 -0.05 0.00 -0.01 0.07 -0.03 0.00 0.05 0.01 0.01 0.08 0.01 -0.04 -0.04 0.02 0.06 -0.01 0.03 0.10 -0.09 0.03 0.18 -0.04 -0.03 -0.07 0.05 -0.09 -0.33 0.12 0.26 0.26 -0.29 -0.29 0.23 -0.07 -0.27 -0.10 -0.08 0.07 -0.34 0.04 0.09 0.03 0.05 -0.02 -0.06 -0.02 -0.00 -0.09 -0.01 -0.01 0.11 -0.18 0.03 -0.00 0.05 -0.06 -0.03 0.08 -0.02 0.01 0.11 -0.03 0.00 -0.01 0.01 0.07 0.01 0.01 -0.02 0.00 -0.01 -0.02 -0.01 0.03 0.02 0.06 0.01 0.06 0.01 -0.01 0.05 -0.07 0.03 0.06 0.07 -0.03 -0.05 0.02 0.07 -0.08 -0.04 0.06 -0.00 0.01 -0.04 -0.06 0.01 -0.03 -0.01 -0.02 -0.03 0.01 0.03 -0.05 -0.04 0.02 0.03 -0.04 0.07 0.04 -0.04 0.05 0.05 0.02 -0.06 -0.01 0.03 0.09 -0.01 -0.02 -0.06 -0.05 0.08 0.02 -0.06 0.04 -0.13 -0.09 -0.05 -0.04 0.22 0.08 0.01 -0.02 -0.01 0.01 -0.04 -0.01 -0.02 -0.01 0.03 0.03 -0.03 -0.03 0.00 -0.01 0.00 -0.03 -0.03 -0.09 0.00 -0.01 0.09 0.04 0.08 -0.10 -0.12 -0.00 0.05 0.14 -0.01 -0.02 -0.13 -0.09 0.15 0.02 -0.09 0.07 0.00 -0.06 -0.07 -0.19 -0.09 -0.24 -0.08 -0.02 0.02 -0.17 -0.27 0.03 0.00 0.33 0.07 -0.12 0.21 0.20 -0.00 0.24 0.02 -0.00 -0.00 0.01 -0.08 0.02 -0.04 -0.09 -0.01 -0.24 0.11 -0.13 -0.09 0.04 0.06 0.13 -0.00 0.01 0.13 -0.08 -0.10 0.10 0.00 -0.01 0.05 0.00 0.01 0.01 0.01 -0.04 0.01 0.04 0.04 0.03 0.02 0.01 0.04 0.01 0.03 0.01 0.07 -0.05 -0.13 -0.07 0.03 0.14 -0.02 0.02 -0.01 -0.03 0.01 -0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.02 0.04 -0.04 -0.07 -0.02 -0.00 0.04 -0.02 0.01 -0.00 0.02 0.01 -0.03 0.01 0.02 -0.00 -0.06 -0.01 0.04 0.05 -0.01 -0.04 -0.05 -0.03 0.04 0.01 -0.04 -0.01 -0.05 -0.02 -0.02 -0.02 0.09 0.03 0.00 0.01 -0.01 0.01 -0.02 -0.02 0.03 -0.03 -0.05 -0.04 0.01 0.08 -0.03 0.01 0.05 -0.07 0.02 0.08 0.14 -0.07 -0.15 -0.01 0.02 -0.03 -0.08 -0.01 0.05 0.09 -0.01 -0.06 -0.08 -0.05 0.07 0.02 -0.05 -0.01 -0.01 0.01 -0.01 -0.11 0.01 0.06 -0.08 -0.11 -0.07 0.03 0.03 -0.07 -0.00 0.21 0.03 -0.03 0.06 0.14 -0.02 0.07 -0.04 -0.04 0.02 0.07 -0.03 0.00 -0.01 -0.00 -0.06 0.33 -0.30 0.16 0.09 0.03 -0.26 -0.32 0.17 -0.07 -0.18 0.38 0.05 -0.18 0.03 -0.02 -0.04 -0.01 0.01 -0.02 -0.03 0.04 0.01 -0.00 -0.02 -0.07 0.02 -0.04 0.05 0.00 0.04 0.02 -0.02 0.01 0.00 0.04 -0.01 -0.02 0.03 -0.02 0.01 -0.02 -0.04 -0.06 -0.02 0.01 -0.04 -0.00 -0.00 0.02 -0.02 -0.01 0.03 -0.01 -0.01 0.02 0.03 -0.01 -0.00 0.03 -0.01 -0.04 0.01 -0.02 -0.03 0.01 0.01 0.04 0.01 0.01 -0.03 -0.02 0.03 0.08 -0.02 0.03 0.04 0.01 0.05 0.01 -0.02 -0.01 -0.05 -0.01 0.02 0.00 -0.01 -0.01 0.03 -0.01 -0.00 0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.03 -0.01 -0.03 0.03 -0.02 0.03 0.02 -0.02 0.04 0.01 0.01 0.06 0.01 0.02 -0.06 -0.04 0.04 0.14 -0.04 0.04 0.06 -0.03 -0.01 -0.05 -0.11 0.14 0.54 -0.14 -0.37 -0.22 0.31 0.43 -0.23 -0.02 0.02 -0.05 -0.03 -0.01 -0.02 -0.01 -0.01 -0.07 0.03 -0.01 -0.03 -0.03 0.00 -0.05 -0.03 -0.00 -0.04 -0.04 -0.04 -0.03 0.04 -0.00 0.04 0.04 -0.01 0.05 0.01 -0.05 0.04 0.02 0.00 0.03 0.01 0.04 0.01 -0.03 -0.13 0.11 0.21 0.14 -0.03 -0.06 0.01 -0.04 0.03 0.22 -0.16 -0.05 0.00 0.02 0.12 -0.04 -0.01 -0.06 -0.01 0.04 0.01 -0.01 0.04 -0.11 0.14 -0.07 0.02 0.02 0.00 -0.03 -0.05 0.07 -0.02 -0.06 0.05 -0.07 -0.01 0.05 -0.07 -0.01 0.04 -0.04 -0.00 0.02 -0.06 -0.02 0.01 -0.02 -0.02 -0.02 0.00 -0.03 -0.08 0.03 -0.03 -0.10 0.03 0.00 -0.01 0.02 -0.06 0.04 -0.04 0.14 -0.08 -0.02 -0.05 0.06 -0.01 -0.03 0.03 0.03 -0.05 0.00 0.03 -0.04 -0.03 -0.10 -0.04 -0.08 0.15 -0.10 0.13 -0.08 -0.03 0.06 -0.07 -0.02 0.02 -0.00 -0.02 -0.02 0.04 -0.03 -0.13 0.08 -0.03 -0.18 -0.11 0.09 -0.12 0.11 -0.03 -0.16 0.06 0.16 0.05 -0.05 -0.10 0.06 0.02 -0.05 0.05 0.07 -0.08 0.06 -0.01 -0.10 0.03 0.06 -0.06 -0.07 -0.13 0.01 -0.10 -0.13 -0.06 -0.13 -0.07 -0.12 -0.08 0.13 -0.06 0.07 0.16 -0.02 0.26 0.17 -0.25 0.16 0.14 0.02 -0.01 -0.06 -0.02 0.02 -0.11 -0.08 0.12 -0.01 0.02 0.03 0.02 -0.02 -0.02 -0.02 0.01 -0.02 0.04 -0.02 0.06 0.03 0.06 0.02 -0.01 0.03 -0.02 -0.00 0.01 0.00 -0.08 -0.03 -0.07 -0.02 -0.00 -0.02 0.02 0.03 -0.07 0.00 0.02 -0.04 0.01 0.00 -0.04 0.02 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.02 -0.05 -0.00 -0.02 0.03 -0.01 -0.04 -0.01 -0.02 -0.04 0.04 -0.02 -0.00 -0.00 -0.02 0.01 -0.03 -0.03 -0.01 -0.03 0.01 0.02 -0.05 0.01 0.03 -0.04 0.01 0.03 -0.03 0.00 0.03 -0.04 0.21 0.04 0.12 0.10 -0.00 0.05 -0.01 0.03 -0.00 0.01 -0.02 -0.08 -0.00 -0.02 0.06 -0.02 -0.05 -0.01 -0.04 -0.05 0.09 -0.09 -0.06 -0.09 -0.06 0.02 0.09 -0.05 -0.10 -0.05 0.06 0.05 -0.05 -0.03 -0.09 -0.03 -0.07 0.06 -0.13 0.01 0.07 0.03 -0.01 0.04 -0.02 0.12 0.00 0.44 0.09 0.01 -0.13 0.55 0.15 0.09 0.05 0.00 -0.09 0.07 0.07 0.19 0.22 -0.12 0.07 -0.04 -0.01 -0.03 -0.00 -0.02 -0.02 -0.02 0.02 -0.01 -0.00 -0.05 -0.07 -0.02 0.05 0.08 -0.02 -0.00 0.01 0.00 -0.01 0.01 0.01 0.01 0.01 0.01 -0.05 0.02 0.00 -0.05 -0.07 -0.01 -0.00 -0.01 -0.02 0.01 0.02 0.01 -0.01 -0.03 -0.02 0.01 0.03 0.01 -0.02 0.00 -0.00 -0.02 -0.04 -0.01 -0.01 -0.01 0.01 0.02 0.05 -0.01 0.02 -0.07 -0.01 0.06 0.05 -0.02 0.06 -0.02 0.01 0.02 0.02 0.04 -0.00 0.05 -0.02 0.00 0.01 -0.01 0.00 0.00 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.02 0.00 0.02 0.03 -0.01 0.00 -0.01 -0.07 0.04 0.02 0.02 0.08 -0.02 0.03 -0.11 -0.02 0.09 0.09 -0.03 0.09 -0.03 -0.01 0.00 -0.01 0.15 -0.04 -0.21 0.14 0.26 0.20 -0.24 -0.09 0.14 0.07 0.36 0.05 0.17 -0.14 0.36 -0.05 -0.17 -0.17 0.01 -0.01 -0.03 -0.10 0.06 0.26 -0.11 -0.10 -0.19 0.29 0.05 0.00 0.02 -0.04 -0.01 0.05 -0.00 0.01 0.06 -0.02 0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.03 0.00 -0.02 0.01 0.01 0.01 0.01 -0.01 -0.02 -0.00 -0.00 -0.01 -0.02 0.01 -0.00 -0.03 -0.01 0.02 -0.00 0.01 -0.00 0.00 0.02 0.02 0.02 0.01 0.02 -0.01 0.02 0.05 0.04 -0.03 -0.04 -0.03 0.01 0.07 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 0.02 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.02 -0.00 0.01 0.01 -0.00 -0.00 0.02 0.03 -0.02 -0.03 -0.00 -0.01 0.02 0.03 -0.02 -0.03 -0.08 -0.01 -0.02 -0.02 0.00 -0.04 0.00 0.01 -0.01 0.00 -0.00 -0.03 0.00 -0.01 0.04 0.01 -0.02 -0.03 0.01 -0.02 0.01 0.02 0.04 0.05 -0.05 0.02 0.06 -0.04 -0.08 -0.07 0.09 0.03 -0.05 -0.02 -0.14 -0.02 -0.06 0.06 -0.14 0.02 0.07 0.07 0.04 -0.03 -0.04 -0.35 0.17 0.38 -0.34 -0.25 -0.42 0.42 0.04 -0.06 -0.02 -0.04 0.00 -0.00 -0.03 -0.11 -0.04 0.08 -0.05 0.01 0.02 0.04 0.05 0.01 -0.01 0.10 0.07 -0.10 0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.08 -0.06 -0.00 -0.03 -0.03 0.01 -0.03 0.02 0.04 -0.00 -0.02 0.03 0.01 0.03 0.03 0.05 0.03 0.07 -0.06 0.05 0.03 -0.06 0.01 0.02 -0.01 -0.02 -0.10 -0.02 0.00 0.04 -0.01 0.00 0.02 0.00 0.01 0.01 -0.01 0.01 0.04 0.01 0.00 -0.00 0.01 0.01 0.01 0.02 0.01 -0.01 0.01 0.00 -0.02 -0.00 0.01 -0.01 -0.04 0.01 0.02 -0.04 0.01 -0.02 -0.04 -0.01 -0.02 -0.03 -0.02 -0.06 -0.03 -0.03 -0.07 0.03 -0.02 0.01 0.11 -0.10 0.07 0.01 -0.02 0.00 -0.01 0.01 0.04 0.01 0.01 -0.01 0.01 0.01 0.00 0.03 0.01 -0.04 0.07 0.07 0.07 -0.02 0.01 0.01 -0.02 -0.03 -0.06 0.07 0.00 -0.04 -0.01 -0.12 -0.01 -0.05 0.06 -0.13 0.03 0.08 0.07 -0.03 -0.03 -0.06 0.04 -0.05 0.05 0.03 0.00 -0.02 0.08 -0.02 0.01 -0.02 -0.04 -0.33 -0.03 0.08 0.46 0.48 -0.43 0.11 -0.07 0.06 0.06 0.02 -0.01 -0.02 0.02 0.03 -0.03 0.02 -0.03 -0.06 -0.00 0.02 -0.01 -0.05 -0.02 0.00 0.01 -0.04 -0.03 0.08 -0.01 -0.07 0.01 -0.03 0.02 0.01 0.05 0.06 0.00 0.01 0.00 -0.04 0.01 0.00 0.02 -0.03 -0.12 -0.05 -0.00 0.03 -0.01 0.00 0.03 -0.01 0.01 0.02 -0.00 0.02 0.03 -0.01 0.01 0.04 0.01 0.01 -0.00 0.01 0.01 0.00 0.03 0.01 -0.03 0.01 -0.00 -0.03 -0.01 0.02 0.01 -0.03 0.00 -0.00 -0.02 -0.01 -0.03 -0.04 -0.00 -0.02 -0.04 0.01 0.03 -0.11 0.04 0.10 0.04 -0.00 0.05 0.07 -0.04 0.08 0.00 -0.04 0.01 -0.03 0.01 0.06 0.01 0.01 -0.01 0.01 0.01 0.00 0.05 0.02 -0.06 0.01 0.03 0.03 -0.02 0.01 -0.03 -0.04 -0.03 -0.10 0.10 -0.03 -0.05 -0.01 -0.14 0.01 -0.05 0.08 -0.13 0.03 0.08 0.10 -0.14 0.07 0.16 0.07 -0.05 0.08 0.06 0.01 0.09 0.03 0.07 0.05 0.18 -0.19 0.52 0.35 -0.11 -0.25 -0.36 0.18 0.05 -0.02 0.00 -0.01 0.02 0.07 -0.02 0.06 0.06 -0.08 -0.02 0.12 0.13 -0.01 -0.11 -0.06 -0.01 -0.02 0.10 -0.02 -0.02 0.01 0.00 0.02 0.02 0.02 0.11 -0.09 -0.02 -0.06 0.03 0.02 -0.05 -0.10 0.01 -0.06 -0.12 -0.09 0.03 0.06 -0.10 0.03 0.12 0.00 0.02 0.01 0.00 0.01 0.04 -0.02 -0.05 0.01 -0.03 0.01 0.05 0.04 0.02 -0.01 -0.01 0.01 0.01 0.05 0.01 -0.05 -0.00 -0.04 0.04 0.00 -0.13 0.03 0.00 -0.04 -0.04 -0.07 0.01 0.04 -0.04 0.00 -0.02 -0.04 0.01 0.01 0.03 -0.03 -0.13 0.08 0.00 0.04 0.06 -0.03 0.02 0.06 0.16 -0.11 -0.04 0.01 0.06 0.06 0.02 -0.04 -0.01 0.01 0.02 0.10 0.00 -0.11 0.02 -0.03 -0.05 0.00 -0.04 0.08 -0.00 -0.06 0.04 -0.01 -0.01 0.03 -0.05 0.09 0.04 0.18 -0.24 0.20 -0.10 -0.29 -0.15 0.11 -0.05 -0.26 0.09 -0.05 0.11 0.08 0.04 -0.02 0.15 0.04 0.03 0.09 -0.18 0.24 0.24 -0.08 -0.19 -0.12 0.14 -0.01 -0.00 -0.06 -0.12 0.00 -0.05 -0.03 -0.07 0.02 0.08 0.02 -0.10 -0.15 -0.04 0.05 -0.01 0.04 -0.03 0.02 -0.01 0.03 0.03 -0.05 0.02 0.06 0.03 -0.05 0.01 0.01 0.12 0.17 -0.01 -0.08 -0.11 0.04 -0.07 -0.07 -0.03 0.02 0.07 0.01 0.01 0.03 -0.04 0.01 0.07 -0.05 0.02 0.06 -0.04 0.06 0.08 -0.08 0.03 0.15 0.02 0.02 -0.05 -0.02 0.04 0.05 0.07 0.04 -0.11 0.03 -0.00 -0.08 -0.01 0.01 0.06 0.03 -0.06 -0.04 0.01 -0.01 0.02 0.01 0.01 -0.00 0.03 0.01 -0.00 0.09 -0.02 -0.11 0.03 0.02 -0.01 -0.03 0.05 -0.07 0.00 -0.10 -0.01 -0.12 0.03 0.22 0.05 0.02 -0.09 -0.02 0.05 0.06 0.15 0.05 -0.24 -0.02 -0.11 -0.12 -0.03 0.01 -0.12 -0.09 -0.01 -0.24 0.25 -0.12 -0.11 -0.04 -0.28 0.06 -0.06 0.11 -0.21 0.04 0.11 0.22 0.14 -0.04 -0.19 0.05 0.00 -0.03 0.04 0.06 -0.02 0.02 -0.02 -0.00 -0.07 0.05 -0.17 -0.11 0.02 -0.06 0.09 0.09 -0.08 0.01 -0.06 -0.03 -0.01 0.03 -0.02 -0.04 0.03 0.03 -0.01 0.05 0.03 -0.02 -0.05 -0.03 -0.02 -0.05 0.01 0.08 -0.01 -0.10 0.05 -0.03 -0.08 0.03 0.06 -0.07 -0.01 -0.02 0.04 -0.01 -0.06 -0.12 -0.03 0.05 0.11 0.04 -0.01 -0.00 0.06 -0.02 -0.07 -0.01 0.02 0.02 -0.01 0.01 0.04 -0.02 -0.03 0.02 -0.04 0.01 0.07 0.03 0.02 -0.03 -0.02 0.02 0.03 0.05 0.02 -0.07 0.02 -0.02 0.01 0.00 -0.10 0.03 0.00 -0.03 -0.01 0.02 0.00 0.01 0.02 0.01 0.04 0.01 0.01 0.01 -0.08 0.05 0.18 -0.04 0.01 -0.00 -0.03 0.03 -0.02 0.04 0.07 -0.07 -0.06 0.01 0.11 0.05 0.02 -0.06 -0.03 0.02 0.05 0.10 0.02 -0.14 -0.01 -0.08 -0.13 0.03 -0.02 0.01 0.00 -0.01 -0.01 0.04 -0.03 0.01 -0.03 -0.05 0.03 0.10 -0.15 0.06 -0.05 -0.17 -0.02 -0.14 0.08 0.28 -0.16 0.10 0.15 -0.14 -0.17 -0.07 0.09 0.11 -0.02 -0.07 0.24 -0.29 -0.27 0.10 0.28 0.17 -0.23 0.02 -0.04 0.05 0.13 0.01 -0.01 0.02 0.01 0.01 0.01 0.01 -0.03 -0.02 0.00 0.03 0.01 0.05 0.03 0.01 0.11 -0.07 -0.21 0.00 0.01 -0.00 -0.01 -0.03 0.04 -0.00 0.02 -0.02 0.01 0.02 0.05 0.05 -0.07 -0.14 -0.18 0.08 0.26 0.06 -0.04 -0.12 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.01 0.01 -0.01 -0.02 -0.01 -0.02 0.02 0.01 -0.02 -0.02 -0.02 -0.02 0.02 -0.01 0.02 -0.01 -0.00 0.05 -0.01 0.03 -0.01 -0.02 -0.04 0.01 0.04 -0.06 0.03 0.06 -0.02 0.00 -0.00 -0.06 0.03 0.06 0.02 0.01 0.02 0.00 -0.00 0.03 -0.02 -0.04 0.04 0.01 -0.01 -0.04 -0.01 -0.02 0.03 0.02 -0.02 -0.04 -0.03 -0.02 0.04 0.01 -0.03 -0.03 -0.01 0.02 -0.01 -0.00 0.01 -0.00 -0.02 0.02 -0.01 0.01 0.04 -0.01 -0.04 0.07 -0.01 0.02 0.08 -0.00 -0.02 0.01 0.00 -0.20 0.11 0.43 -0.19 -0.27 -0.20 0.39 0.24 -0.02 0.04 -0.06 0.19 0.11 -0.04 -0.10 -0.15 0.09 0.02 0.03 -0.06 -0.11 -0.00 -0.02 0.01 0.03 -0.03 -0.05 -0.02 -0.03 0.01 0.01 0.01 0.01 0.04 0.04 0.01 0.00 -0.01 -0.03 0.08 -0.05 -0.14 -0.01 -0.03 0.02 0.01 0.03 0.03 -0.00 0.01 0.04 0.04 -0.08 -0.12 -0.01 -0.00 -0.04 -0.11 0.06 0.20 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.01 0.02 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.03 0.00 0.01 -0.00 -0.01 -0.04 0.01 0.04 -0.03 0.01 0.00 -0.03 0.02 0.06 -0.04 0.03 0.04 0.03 0.02 0.02 -0.03 0.01 -0.03 -0.01 -0.02 0.02 0.04 0.00 -0.02 -0.02 0.00 0.00 0.01 0.02 -0.00 -0.02 0.02 0.03 0.00 0.03 0.05 -0.03 -0.00 -0.01 -0.02 -0.03 -0.03 0.04 -0.03 -0.01 -0.01 0.01 0.00 -0.01 0.04 -0.02 0.02 0.05 0.00 0.01 0.02 -0.03 0.03 -0.01 0.06 0.02 0.01 0.03 0.04 0.07 0.02 -0.09 0.30 -0.41 -0.35 0.13 0.40 0.26 -0.37 0.03 0.06 -0.10 -0.19 0.10 0.05 0.03 -0.02 0.22 0.21 0.14 -0.01 -0.13 -0.07 0.06 -0.09 -0.03 -0.13 0.07 -0.01 -0.00 0.01 0.02 -0.02 -0.04 0.06 0.01 0.04 -0.08 -0.02 -0.19 0.07 -0.06 -0.04 -0.00 -0.01 -0.02 0.01 -0.01 -0.03 -0.04 0.03 0.08 -0.03 0.04 0.07 -0.06 0.05 0.09 -0.06 0.04 -0.05 -0.05 -0.06 -0.02 -0.01 -0.07 0.14 0.03 -0.16 -0.08 0.01 -0.17 0.02 -0.06 0.13 -0.02 -0.06 0.05 -0.09 0.02 -0.06 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.06 0.00 -0.13 -0.05 -0.10 0.07 -0.07 0.20 0.07 -0.21 -0.20 0.06 -0.21 -0.01 0.07 -0.04 -0.03 0.05 0.10 0.02 0.01 0.17 0.07 -0.22 0.24 -0.02 -0.01 0.27 -0.09 0.00 -0.04 0.12 -0.11 -0.05 -0.20 0.01 -0.00 -0.02 0.01 -0.01 -0.01 0.01 0.01 0.02 -0.02 -0.01 0.00 -0.03 0.07 -0.10 -0.09 0.03 0.10 0.06 -0.10 0.01 -0.02 -0.02 -0.02 0.01 -0.01 0.01 -0.00 -0.01 0.03 0.00 -0.05 -0.04 0.01 -0.02 -0.03 -0.01 0.00 -0.02 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.01 -0.01 -0.03 0.11 0.11 0.01 0.04 0.07 -0.00 0.01 0.01 0.00 0.01 0.01 -0.00 0.01 -0.01 0.03 0.04 -0.06 0.03 0.04 -0.03 -0.01 0.05 0.03 0.02 0.01 -0.08 0.06 -0.00 -0.03 -0.03 -0.03 0.03 -0.01 -0.03 0.05 -0.02 0.01 -0.06 -0.04 -0.10 -0.02 -0.00 0.02 0.02 0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.11 0.11 -0.00 -0.05 -0.09 -0.06 0.09 -0.04 -0.05 0.11 0.02 0.04 0.06 -0.07 0.02 -0.10 -0.10 0.01 -0.16 0.13 -0.09 -0.07 -0.24 0.24 0.00 0.36 -0.31 0.19 -0.25 -0.42 -0.37 -0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.02 -0.00 0.00 -0.02 0.01 0.02 -0.00 0.01 -0.00 -0.02 0.01 0.01 -0.00 -0.04 -0.02 -0.04 -0.03 0.03 -0.12 -0.11 -0.06 -0.07 -0.04 0.06 0.02 -0.06 -0.01 0.06 -0.02 -0.01 0.01 -0.01 0.02 -0.00 0.03 -0.01 0.01 0.00 0.03 0.00 -0.07 -0.05 0.01 -0.02 -0.02 -0.02 0.04 -0.02 -0.02 -0.00 0.03 -0.04 -0.01 -0.06 0.04 0.12 -0.02 0.06 0.19 0.06 0.05 0.03 -0.04 0.05 0.10 0.01 0.04 0.18 0.07 0.01 -0.03 0.11 0.01 0.02 -0.05 -0.03 0.03 -0.01 0.04 -0.14 -0.04 0.02 0.00 -0.00 -0.04 0.01 -0.01 0.00 -0.01 0.03 -0.01 0.01 0.01 0.01 0.00 0.03 0.02 0.01 -0.01 0.04 -0.02 -0.01 0.01 -0.02 -0.03 0.04 0.08 0.03 0.04 0.18 0.14 -0.02 -0.18 0.20 -0.02 -0.08 -0.05 -0.00 -0.05 -0.15 0.01 0.14 -0.03 -0.18 0.05 -0.06 0.05 0.01 -0.15 0.40 -0.12 0.19 -0.12 0.13 -0.10 -0.17 -0.45 0.01 0.04 0.02 0.05 -0.01 0.02 0.04 0.05 0.01 0.04 0.04 0.01 -0.01 0.07 -0.04 -0.06 0.01 -0.05 0.00 0.08 -0.03 0.02 -0.03 0.00 0.01 0.06 -0.01 0.04 0.09 -0.07 0.15 0.13 -0.03 0.01 0.02 0.02 -0.11 -0.04 0.00 -0.07 0.00 -0.04 0.09 -0.02 0.10 -0.05 -0.04 0.07 0.02 0.04 0.06 -0.06 0.02 0.01 -0.06 -0.12 0.06 -0.09 -0.10 -0.02 0.10 -0.14 0.02 0.00 -0.03 -0.02 0.01 -0.04 -0.07 0.01 -0.00 -0.01 0.04 -0.02 -0.06 -0.02 -0.02 -0.05 -0.01 0.00 -0.01 -0.06 0.00 0.03 0.01 -0.02 -0.01 -0.00 0.01 -0.01 -0.09 -0.02 0.01 -0.03 -0.17 0.03 -0.06 -0.00 -0.04 0.12 -0.03 0.06 0.04 0.04 0.02 0.11 0.07 0.04 -0.07 0.17 -0.09 -0.04 -0.02 0.09 0.07 -0.02 -0.06 -0.03 -0.02 -0.07 -0.01 0.02 0.02 -0.12 0.02 0.10 -0.06 -0.00 -0.02 -0.04 -0.01 -0.03 -0.03 -0.05 -0.06 0.08 -0.08 -0.02 -0.07 0.06 0.00 0.06 -0.02 0.01 -0.02 -0.04 -0.09 0.06 0.15 0.03 0.19 -0.07 0.12 0.16 0.17 0.04 0.15 0.16 0.04 -0.06 0.33 -0.17 -0.30 0.04 -0.15 -0.01 0.30 -0.12 0.05 -0.12 0.05 0.03 -0.05 0.03 0.08 0.03 -0.06 -0.11 -0.08 0.13 -0.10 -0.01 -0.02 0.06 0.17 -0.06 -0.05 0.02 -0.03 0.00 -0.02 0.02 0.11 -0.01 0.00 -0.13 0.01 -0.06 -0.05 -0.01 -0.07 -0.02 -0.01 0.08 -0.04 -0.03 -0.03 0.01 -0.06 -0.01 0.10 -0.01 -0.00 0.01 0.01 -0.00 -0.11 0.02 -0.02 0.08 -0.03 0.04 0.07 -0.06 -0.00 0.07 -0.07 0.10 0.07 -0.07 0.02 0.01 0.20 -0.11 -0.08 -0.03 0.07 -0.03 0.05 -0.01 -0.02 -0.06 0.01 -0.04 0.01 -0.03 0.01 -0.02 0.00 -0.02 0.02 -0.01 0.05 0.06 0.01 -0.02 0.01 -0.02 0.10 -0.02 0.02 0.03 -0.03 0.04 0.13 -0.06 0.02 0.03 -0.07 0.15 0.07 -0.04 -0.00 -0.02 0.03 -0.11 0.26 0.11 -0.21 0.00 0.47 -0.10 -0.08 0.19 -0.08 0.06 -0.17 0.05 -0.15 0.02 -0.01 -0.09 0.03 0.23 -0.02 0.06 0.00 0.10 -0.02 0.05 0.08 0.12 0.01 0.07 0.11 0.01 -0.02 0.03 -0.02 -0.05 -0.01 -0.04 -0.02 0.05 -0.02 0.03 0.01 0.11 0.01 -0.01 -0.00 -0.02 -0.06 0.06 0.01 -0.08 -0.15 0.04 -0.14 0.01 -0.01 0.00 -0.01 -0.05 0.01 -0.03 0.02 -0.02 0.02 0.02 0.12 -0.12 -0.03 -0.09 -0.08 0.03 0.08 0.19 -0.01 -0.04 0.00 -0.05 -0.03 -0.01 0.01 -0.05 0.02 -0.02 0.13 -0.07 0.04 0.12 0.02 0.00 -0.01 0.01 -0.10 0.09 -0.04 0.08 0.08 0.02 -0.08 0.01 -0.01 0.05 0.01 -0.03 -0.01 0.02 0.04 0.05 -0.09 0.11 -0.01 0.03 0.06 -0.02 -0.05 0.01 -0.04 0.00 -0.02 0.02 -0.02 0.02 -0.00 0.01 -0.01 0.04 0.04 0.01 -0.02 0.02 -0.02 -0.03 0.04 -0.12 -0.17 0.09 -0.03 0.12 0.08 0.06 -0.15 -0.05 0.01 0.10 -0.07 -0.03 0.03 0.06 0.13 0.08 -0.01 0.04 0.07 0.07 0.15 -0.17 0.09 0.07 0.28 -0.36 0.08 -0.14 0.03 -0.05 0.08 0.07 0.43 0.01 0.06 -0.01 0.08 -0.03 0.06 0.06 0.09 0.01 0.07 0.09 0.01 -0.02 0.06 -0.06 -0.09 -0.01 -0.02 0.01 0.03 -0.03 0.04 -0.04 -0.02 0.05 -0.02 0.02 0.01 0.08 0.07 0.00 -0.04 0.03 0.02 0.04 0.01 0.13 0.07 -0.03 -0.07 0.14 -0.08 -0.10 -0.12 -0.01 0.01 0.00 -0.04 0.07 0.00 0.04 0.03 -0.04 -0.02 0.02 0.01 0.12 -0.03 0.01 -0.02 -0.01 -0.05 0.01 -0.04 -0.01 -0.01 -0.02 -0.02 -0.02 0.03 -0.01 -0.00 -0.04 -0.01 -0.02 -0.06 0.01 -0.02 -0.05 0.01 -0.05 -0.06 0.01 -0.03 -0.01 -0.11 0.06 0.04 0.01 -0.04 0.06 -0.00 0.03 0.01 -0.04 0.04 -0.03 0.07 -0.04 -0.02 -0.07 0.00 -0.04 0.01 -0.03 0.09 0.24 -0.02 -0.07 -0.21 0.02 0.01 -0.02 -0.09 -0.03 -0.01 -0.01 -0.09 0.01 -0.02 -0.03 0.03 -0.07 -0.06 0.01 -0.03 0.03 -0.02 -0.01 -0.14 -0.06 0.10 -0.01 -0.25 0.04 0.06 -0.11 0.04 -0.05 0.11 -0.03 0.10 -0.03 0.02 0.03 -0.03 -0.15 -0.04 0.04 -0.02 0.17 0.09 0.07 0.14 0.34 -0.02 0.14 0.33 -0.03 -0.08 -0.27 0.05 0.02 -0.16 0.03 -0.09 -0.23 0.02 0.03 0.01 0.14 0.11 -0.07 0.07 0.07 0.17 0.11 -0.08 -0.17 0.10 0.01 0.06 0.00 0.02 0.16 -0.05 -0.02 -0.12 0.04 0.09 0.10 0.03 0.07 0.03 -0.11 0.08 -0.01 0.03 -0.01 0.00 -0.05 -0.04 0.02 0.02 -0.04 -0.02 -0.02 -0.01 -0.01 -0.01 -0.03 0.01 -0.05 -0.04 -0.01 -0.03 0.03 -0.01 -0.00 -0.08 -0.01 -0.03 -0.08 0.02 -0.02 -0.08 -0.00 -0.07 -0.08 -0.00 -0.07 -0.02 -0.14 0.09 0.06 0.00 -0.02 -0.06 0.06 -0.02 -0.04 -0.01 -0.01 -0.05 -0.05 -0.02 0.01 0.05 -0.01 -0.01 0.00 -0.01 -0.03 -0.16 0.03 0.05 0.20 -0.03 0.06 -0.03 -0.23 -0.11 -0.01 -0.00 -0.11 0.01 0.00 -0.08 0.01 -0.07 -0.07 -0.02 -0.07 0.05 0.08 -0.12 -0.20 -0.08 0.16 -0.00 -0.34 0.08 0.04 -0.13 0.07 0.01 0.04 -0.02 0.08 -0.01 -0.00 0.07 -0.01 -0.07 -0.01 0.02 -0.01 -0.05 -0.13 0.01 -0.04 -0.18 0.03 -0.05 -0.19 0.03 0.06 0.26 -0.06 -0.06 0.14 -0.05 0.08 0.23 -0.04 -0.00 0.02 0.01 -0.02 0.03 -0.04 -0.07 -0.09 0.05 -0.03 0.04 -0.04 -0.21 0.29 -0.15 -0.04 -0.04 -0.00 -0.02 -0.00 -0.01 0.02 -0.02 0.01 0.13 0.10 -0.16 0.04 -0.06 -0.01 0.05 0.10 0.17 0.00 -0.00 -0.03 -0.02 -0.01 0.00 0.01 -0.01 0.01 0.14 -0.08 -0.03 -0.08 -0.08 0.08 -0.09 -0.01 0.01 0.15 -0.07 0.03 0.02 -0.08 -0.06 0.05 -0.03 0.18 0.07 -0.02 -0.04 -0.05 -0.13 0.08 0.01 0.02 -0.02 -0.00 0.03 0.04 -0.01 -0.02 -0.00 -0.02 -0.00 -0.01 0.02 -0.01 0.02 0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 0.01 -0.00 0.14 0.15 -0.08 0.20 -0.08 -0.01 0.06 -0.07 -0.13 -0.00 0.02 0.33 0.09 0.06 -0.15 0.04 0.06 0.15 -0.20 -0.07 0.24 -0.05 -0.36 0.05 0.02 -0.05 0.03 -0.00 0.03 -0.01 -0.05 0.04 -0.01 0.06 0.06 -0.03 0.01 0.02 -0.01 0.02 -0.02 0.02 0.02 0.03 0.00 0.02 0.03 0.00 -0.01 0.03 -0.01 -0.04 -0.01 -0.01 -0.01 0.02 -0.01 0.04 -0.01 -0.06 0.00 -0.02 0.03 0.06 0.02 -0.06 0.02 -0.03 -0.00 -0.04 0.11 -0.08 -0.01 0.01 0.01 0.03 0.02 0.01 -0.02 -0.00 -0.01 -0.08 -0.06 0.15 -0.00 -0.01 -0.07 -0.05 -0.05 -0.11 -0.01 -0.01 -0.01 0.03 0.00 0.01 0.00 0.01 -0.00 -0.04 0.08 0.02 -0.01 0.08 0.03 -0.01 0.06 0.00 0.04 0.06 -0.13 0.14 0.02 -0.08 -0.04 -0.01 0.05 0.02 -0.02 0.07 -0.12 -0.07 0.08 0.09 -0.10 0.08 -0.02 -0.02 -0.04 0.01 0.01 -0.00 0.03 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.02 0.01 -0.07 -0.07 0.08 0.05 0.07 -0.23 0.26 0.02 -0.16 -0.13 -0.07 0.11 -0.01 -0.05 0.14 -0.05 -0.04 -0.11 -0.28 -0.01 0.20 -0.05 -0.31 0.14 -0.16 0.01 0.06 0.28 -0.27 0.06 0.07 -0.07 -0.00 0.02 -0.09 0.31 0.01 -0.02 0.02 -0.02 0.04 -0.02 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 -0.04 0.02 0.02 -0.01 0.01 -0.01 -0.03 0.01 -0.02 -0.01 -0.00 -0.04 0.03 -0.03 -0.04 -0.05 -0.01 0.06 0.07 -0.06 -0.02 -0.01 -0.02 0.32 0.01 -0.00 -0.11 -0.13 -0.03 0.03 0.10 -0.01 -0.07 -0.02 0.06 0.01 -0.04 -0.00 0.09 -0.10 0.03 0.05 0.04 0.20 -0.11 0.04 -0.07 -0.09 -0.03 -0.02 -0.05 0.01 0.05 -0.03 0.01 0.08 -0.01 -0.01 0.04 0.05 0.02 -0.08 0.08 0.01 -0.06 -0.02 0.01 0.05 0.02 0.01 0.05 0.04 -0.00 -0.00 -0.02 0.02 -0.03 0.22 -0.10 0.08 -0.03 -0.02 0.03 -0.15 -0.01 -0.09 -0.08 0.03 -0.05 -0.14 0.03 -0.10 -0.01 -0.12 0.03 0.04 0.13 -0.01 -0.07 -0.00 0.09 0.13 0.02 -0.19 0.16 0.01 -0.17 -0.06 -0.01 0.08 0.01 -0.00 0.07 0.03 -0.15 0.15 0.09 -0.02 -0.00 0.03 0.04 -0.01 0.03 0.02 -0.00 -0.07 0.08 -0.02 -0.05 0.03 0.00 0.02 0.05 -0.09 -0.13 0.08 -0.10 0.03 -0.19 0.08 0.01 -0.07 0.03 0.01 -0.07 0.03 0.04 0.15 -0.03 0.00 0.12 -0.01 0.05 0.13 -0.01 -0.07 0.09 0.36 0.02 -0.01 0.02 0.02 0.02 0.01 -0.01 -0.04 0.00 -0.05 -0.08 0.01 -0.06 0.01 -0.00 0.02 0.02 0.01 -0.00 -0.02 0.00 -0.02 0.02 -0.02 0.04 -0.10 0.03 -0.02 0.01 -0.03 -0.01 -0.01 -0.04 0.02 -0.01 0.01 0.02 0.01 0.00 -0.06 0.02 0.04 -0.08 0.02 0.16 -0.03 -0.05 0.10 0.04 0.01 -0.15 0.08 0.03 -0.09 -0.09 0.01 0.06 -0.00 0.01 0.02 0.16 -0.01 -0.01 -0.06 0.13 -0.09 -0.05 0.02 -0.02 0.00 0.00 -0.00 0.03 0.00 0.02 0.02 -0.00 0.01 0.03 -0.01 0.02 0.00 0.02 -0.01 -0.01 -0.02 0.00 -0.03 -0.01 -0.06 0.16 0.01 -0.31 0.19 0.04 -0.26 -0.16 -0.01 0.13 0.02 -0.02 0.02 -0.00 0.02 -0.06 0.31 -0.06 -0.05 0.12 0.16 -0.04 0.14 0.00 -0.01 -0.23 0.23 -0.07 -0.22 0.17 -0.04 0.13 0.24 -0.28 0.02 -0.01 0.02 -0.01 0.03 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 0.01 -0.01 -0.02 0.00 -0.02 -0.02 0.00 0.01 -0.02 -0.07 -0.10 -0.13 0.06 -0.01 0.22 -0.17 0.32 0.06 -0.00 -0.03 0.01 -0.02 0.09 0.08 -0.05 0.11 0.03 0.07 -0.08 0.07 -0.07 0.03 0.03 -0.13 0.00 -0.02 -0.00 -0.22 -0.09 0.15 -0.05 -0.20 0.08 0.05 0.04 -0.00 -0.02 0.03 -0.04 0.07 0.00 -0.13 0.00 0.01 0.03 -0.01 0.01 0.03 -0.00 0.02 0.01 -0.01 -0.01 0.08 -0.02 0.01 0.05 0.09 0.01 -0.05 0.02 -0.01 0.00 -0.01 0.02 -0.02 -0.09 -0.13 0.12 0.01 0.03 0.02 0.07 0.04 0.01 -0.05 0.05 -0.06 -0.01 0.02 -0.01 -0.03 -0.03 -0.01 0.01 -0.02 0.01 0.02 0.02 -0.13 -0.04 0.03 0.10 -0.07 -0.01 0.15 -0.09 -0.02 0.14 0.14 0.00 -0.12 -0.22 -0.15 0.01 0.04 -0.01 0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.04 0.04 -0.01 -0.04 0.03 0.00 0.02 0.03 -0.06 -0.05 -0.06 0.02 -0.09 0.10 -0.09 -0.06 -0.11 -0.01 -0.07 -0.12 0.00 -0.01 -0.10 0.03 0.12 0.05 0.06 -0.01 -0.10 0.02 -0.14 -0.31 -0.21 -0.01 -0.02 -0.01 -0.03 0.03 -0.00 0.03 0.01 0.02 0.01 -0.00 -0.00 -0.01 0.04 -0.01 -0.08 -0.13 -0.00 0.01 -0.17 0.07 -0.01 -0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.02 -0.02 -0.02 0.01 -0.09 0.28 -0.14 0.26 0.19 0.06 -0.01 -0.01 0.00 -0.01 -0.00 0.02 0.01 0.01 0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.01 0.01 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.03 0.01 0.01 0.04 0.13 -0.01 -0.16 0.05 -0.11 0.20 -0.04 0.11 0.05 0.10 -0.00 -0.04 -0.18 0.03 -0.08 -0.18 0.00 -0.00 -0.01 -0.02 0.02 0.01 -0.01 0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.02 0.01 -0.00 0.02 0.07 0.04 -0.02 0.01 -0.00 -0.01 0.00 0.00 -0.02 0.01 -0.00 0.02 -0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.02 0.16 0.53 -0.04 -0.04 -0.17 0.03 -0.04 -0.17 0.02 -0.04 -0.17 0.03 -0.07 -0.15 0.01 -0.10 -0.20 -0.02 -0.06 -0.13 -0.00 -0.04 -0.06 -0.11 -0.01 0.10 0.11 0.14 -0.11 -0.06 -0.06 -0.04 -0.14 -0.13 0.05 -0.02 0.02 -0.01 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.04 0.08 0.16 0.03 -0.10 0.07 -0.06 -0.04 -0.07 -0.01 -0.03 0.04 -0.00 0.04 -0.02 0.02 0.02 0.00 0.16 0.12 -0.12 0.08 0.08 -0.14 -0.07 -0.07 -0.02 -0.06 0.00 0.04 -0.04 0.06 0.07 -0.02 -0.07 -0.04 -0.03 -0.05 -0.06 0.12 -0.09 0.05 -0.05 0.03 -0.03 0.01 -0.05 -0.02 0.01 0.01 0.01 -0.01 0.01 -0.02 0.01 0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.03 0.00 -0.00 -0.02 0.00 -0.04 0.03 0.27 -0.34 0.02 0.21 -0.12 0.05 0.33 -0.08 -0.05 0.07 -0.06 -0.10 0.02 -0.07 -0.10 -0.14 0.17 -0.11 0.04 0.07 -0.04 -0.01 0.17 -0.10 0.03 -0.21 0.13 -0.01 -0.15 0.05 0.02 0.08 0.11 -0.18 0.00 0.05 -0.01 -0.02 -0.00 -0.01 -0.01 -0.04 0.00 -0.02 -0.04 0.01 -0.01 -0.03 0.00 0.02 -0.01 0.00 -0.00 -0.03 0.00 -0.02 -0.05 -0.02 0.01 0.05 0.08 0.10 -0.05 -0.02 -0.01 -0.06 -0.13 0.02 0.02 0.02 0.02 0.02 -0.01 0.04 0.00 0.02 -0.03 0.01 -0.02 -0.00 0.19 -0.12 -0.02 0.02 0.01 -0.07 -0.03 0.00 -0.02 -0.08 0.04 0.01 0.02 -0.01 0.01 0.01 -0.00 -0.09 -0.06 0.23 0.01 -0.06 -0.03 0.02 -0.02 -0.06 0.03 -0.08 0.06 0.03 -0.02 -0.15 0.10 0.01 -0.08 -0.12 0.01 0.12 -0.03 0.03 -0.02 -0.01 -0.02 0.04 -0.03 -0.05 0.02 -0.00 0.01 0.02 0.01 0.02 -0.01 -0.00 0.02 -0.02 -0.00 0.02 -0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.01 0.10 0.28 -0.23 0.22 -0.09 -0.13 0.14 -0.01 -0.34 0.31 0.07 -0.33 -0.19 0.06 0.18 -0.07 -0.10 -0.13 -0.02 0.02 -0.03 -0.04 0.04 -0.03 -0.00 0.01 -0.02 0.04 -0.08 0.03 -0.00 -0.01 -0.00 -0.03 -0.02 0.09 -0.01 0.02 0.01 -0.03 0.03 -0.03 -0.02 -0.05 0.00 -0.02 -0.05 0.00 -0.01 -0.04 0.02 0.04 0.01 0.01 -0.02 -0.03 0.01 -0.03 -0.13 -0.11 -0.00 -0.08 -0.05 -0.07 0.06 0.01 0.05 -0.00 0.06 -0.11 0.10 -0.05 -0.01 0.01 0.00 -0.02 -0.00 -0.01 0.01 -0.01 0.01 -0.07 -0.01 -0.03 -0.01 -0.11 0.05 0.04 0.01 0.01 0.01 0.04 -0.03 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.08 0.05 -0.00 0.13 0.02 -0.14 -0.04 -0.07 -0.02 -0.09 0.13 0.10 0.15 -0.02 -0.01 0.13 0.03 -0.13 0.05 0.02 0.23 0.10 -0.07 0.03 -0.11 -0.01 0.03 0.00 0.02 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.02 0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.19 -0.12 0.13 0.18 0.12 -0.02 0.03 0.17 -0.10 -0.36 -0.07 -0.00 0.44 0.05 0.08 0.10 0.20 -0.10 0.04 0.04 0.01 -0.04 0.15 -0.05 0.01 -0.20 0.05 0.03 -0.20 0.02 0.04 -0.01 0.06 -0.07 0.01 -0.02 0.00 0.02 -0.01 0.02 0.01 0.03 -0.00 0.01 0.03 -0.00 0.01 0.02 -0.01 -0.02 -0.01 -0.00 0.01 0.02 -0.00 -0.01 0.08 0.08 -0.09 -0.06 0.15 0.04 0.05 -0.07 0.10 -0.07 -0.07 0.03 0.02 -0.01 0.00 -0.04 0.02 -0.11 -0.02 -0.07 0.06 -0.05 0.05 -0.12 0.11 -0.02 -0.02 -0.01 -0.01 0.00 0.01 -0.05 0.04 0.20 -0.09 0.02 -0.02 0.02 -0.01 0.04 0.01 0.01 -0.05 -0.04 0.02 -0.06 0.01 0.03 -0.00 0.01 0.04 -0.02 -0.02 -0.03 -0.03 0.04 -0.01 0.03 0.06 0.06 0.03 -0.04 -0.01 0.02 -0.01 -0.03 -0.02 0.01 0.07 0.01 -0.10 0.00 0.04 -0.06 -0.03 -0.06 0.03 0.01 -0.03 0.03 0.03 -0.07 0.03 0.01 0.04 -0.01 0.01 0.02 0.00 0.15 0.34 -0.37 0.11 -0.03 0.02 -0.11 -0.03 0.05 -0.05 0.04 0.12 0.09 0.05 -0.10 -0.02 -0.02 -0.06 0.02 0.01 -0.00 -0.02 0.04 -0.02 -0.00 0.03 -0.02 -0.03 0.00 0.01 -0.01 -0.03 0.02 -0.05 -0.03 0.02 0.06 -0.08 -0.01 0.08 -0.09 0.08 0.05 0.13 -0.00 0.06 0.14 -0.01 0.03 0.10 -0.02 -0.09 -0.04 -0.03 0.01 0.08 -0.01 -0.09 0.36 0.41 -0.07 -0.05 -0.01 -0.05 0.01 -0.08 0.06 0.04 0.04 -0.03 -0.04 0.02 0.02 0.00 0.00 -0.16 -0.04 -0.09 -0.06 0.05 -0.05 0.21 -0.01 0.00 0.02 0.02 0.00 -0.01 -0.01 0.03 -0.01 0.06 -0.04 0.02 -0.08 0.03 0.05 0.09 0.02 0.08 0.07 0.11 -0.02 0.11 0.04 -0.04 0.01 -0.00 -0.03 -0.09 0.05 0.02 0.14 -0.09 -0.01 -0.07 -0.08 -0.18 -0.06 -0.00 0.00 -0.01 0.01 0.06 0.01 -0.02 0.01 -0.01 0.00 -0.02 0.03 -0.04 -0.02 -0.11 0.04 0.05 0.06 -0.00 0.14 -0.06 0.10 0.02 0.02 0.00 0.02 0.00 0.01 -0.05 -0.22 0.37 -0.10 -0.08 -0.07 0.21 0.13 -0.13 0.14 0.04 -0.18 -0.16 -0.13 0.04 -0.02 0.01 0.10 -0.06 0.00 0.00 0.03 -0.06 0.04 -0.01 -0.03 0.03 0.05 0.00 -0.02 0.05 0.02 -0.03 0.06 0.02 -0.01 0.14 -0.06 0.10 0.12 -0.18 0.13 0.07 0.15 0.00 0.08 0.16 -0.01 0.00 -0.07 0.03 0.12 0.07 0.06 0.00 -0.07 0.02 -0.11 0.13 0.18 -0.06 -0.05 0.01 -0.03 0.02 -0.07 0.05 0.01 0.04 -0.02 -0.02 0.01 -0.02 -0.05 0.01 0.14 0.05 0.07 0.18 -0.16 0.16 0.14 -0.00 -0.01 0.02 0.01 0.00 -0.03 0.04 0.02 0.05 0.08 -0.04 0.00 0.13 -0.03 -0.09 -0.08 -0.03 0.05 0.04 0.07 -0.02 0.07 0.03 -0.03 0.01 0.00 -0.02 -0.06 0.03 0.02 0.09 -0.06 -0.00 -0.05 -0.06 -0.12 -0.04 0.00 0.00 -0.01 0.01 0.04 0.01 -0.01 0.03 0.03 -0.00 0.05 0.02 -0.02 0.00 0.10 -0.02 -0.10 -0.15 0.03 -0.21 -0.01 -0.13 -0.02 0.03 -0.02 -0.00 0.03 -0.01 -0.02 -0.13 0.21 -0.07 -0.06 -0.04 0.14 0.09 -0.09 0.10 0.03 -0.12 -0.11 -0.09 0.03 -0.05 -0.06 -0.09 -0.04 0.00 0.00 0.02 -0.04 0.02 -0.01 -0.02 0.02 0.03 0.00 -0.01 0.03 0.01 -0.02 0.04 0.01 -0.01 -0.18 -0.06 -0.18 -0.10 0.19 -0.12 -0.07 -0.09 -0.02 -0.07 -0.09 -0.01 0.04 0.26 -0.07 -0.31 -0.17 -0.14 0.03 0.23 -0.05 0.02 0.13 0.10 -0.02 0.02 0.05 0.02 0.00 -0.01 -0.00 -0.00 -0.02 -0.10 -0.17 0.10 0.00 -0.02 0.01 -0.04 -0.01 -0.02 0.02 -0.01 0.01 0.02 0.00 -0.08 0.08 0.08 0.01 -0.02 0.01 -0.01 0.01 0.03 0.00 0.01 0.01 0.01 -0.00 0.01 -0.01 -0.07 0.10 -0.04 -0.17 0.03 -0.09 -0.14 0.03 -0.05 0.02 0.26 0.04 -0.05 -0.25 -0.05 0.18 -0.04 0.10 0.06 -0.07 0.07 -0.01 -0.02 0.02 0.20 0.07 -0.10 0.02 0.00 -0.00 0.01 0.02 0.00 -0.00 -0.02 -0.00 -0.01 -0.01 0.00 -0.00 -0.03 0.01 0.00 0.01 -0.00 0.01 0.01 0.00 -0.19 -0.19 0.13 -0.03 0.26 -0.05 0.01 -0.25 -0.03 0.13 -0.20 -0.01 -0.04 0.18 -0.01 -0.04 -0.10 -0.14 -0.21 0.04 -0.03 0.05 -0.15 0.09 -0.04 -0.11 0.07 0.13 0.06 -0.09 0.20 0.06 -0.10 0.20 0.05 -0.10 -0.00 -0.04 0.00 0.02 -0.03 0.02 0.01 0.04 -0.00 0.02 0.04 -0.01 0.01 0.03 -0.00 -0.02 -0.01 -0.01 0.01 0.02 -0.00 0.03 -0.00 -0.10 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.02 0.01 0.01 0.05 0.01 0.10 0.01 0.03 -0.03 0.01 -0.01 0.00 0.01 0.00 0.01 0.01 0.00 0.04 -0.03 0.02 -0.04 -0.00 -0.05 -0.03 -0.04 -0.02 -0.01 -0.03 0.04 0.00 0.01 0.00 -0.02 0.01 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.02 0.00 -0.01 -0.04 -0.05 -0.08 -0.02 -0.07 -0.05 -0.02 0.07 0.04 0.05 0.02 -0.01 0.02 0.07 -0.01 0.00 -0.03 0.01 -0.03 -0.03 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.02 -0.01 0.00 -0.02 0.01 -0.01 0.05 0.18 0.31 -0.02 0.00 -0.00 0.01 -0.02 0.01 -0.00 -0.01 0.01 0.00 0.03 -0.01 0.04 -0.01 -0.01 0.01 -0.00 -0.00 0.08 0.10 -0.07 -0.06 0.09 -0.05 -0.03 -0.11 0.01 -0.04 -0.09 0.01 -0.03 -0.06 -0.00 0.02 0.00 0.02 -0.02 -0.06 0.00 -0.25 0.26 0.78 0.02 0.03 -0.03 -0.00 -0.02 0.03 -0.01 0.02 -0.03 -0.01 -0.01 0.00 0.05 0.12 -0.01 -0.02 0.01 -0.02 0.08 -0.06 0.08 -0.03 0.03 0.03 0.00 0.00 0.00 0.06 -0.13 0.01 -0.13 -0.06 -0.01 0.05 0.04 0.01 -0.01 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.02 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.10 -0.11 -0.00 -0.03 0.13 -0.04 0.04 -0.07 0.04 -0.03 -0.08 -0.03 -0.01 -0.13 0.04 -0.00 0.08 -0.03 0.03 0.04 0.01 0.04 0.09 -0.04 -0.01 -0.00 0.03 -0.02 -0.01 0.03 -0.01 0.00 0.05 -0.02 0.01 0.01 0.13 0.37 0.58 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.09 -0.24 0.12 0.03 0.01 0.02 0.01 0.11 -0.02 0.02 0.10 -0.03 0.04 0.15 -0.03 -0.14 -0.07 -0.05 0.05 0.14 -0.01 -0.32 -0.10 -0.11 0.01 0.04 0.02 0.04 -0.01 0.00 -0.03 0.02 -0.01 0.06 0.07 -0.01 0.02 -0.00 0.00 -0.01 -0.00 -0.01 0.02 -0.02 0.02 0.08 -0.06 -0.10 -0.02 -0.02 0.01 -0.07 -0.01 0.04 -0.01 0.00 -0.03 0.02 0.01 -0.01 -0.00 0.03 0.00 -0.06 -0.00 0.01 -0.00 -0.04 0.00 0.07 -0.04 -0.07 -0.03 0.06 -0.04 -0.01 -0.04 0.03 -0.04 0.03 0.01 0.05 0.01 0.01 0.01 -0.01 0.00 -0.09 -0.03 0.04 -0.00 -0.04 -0.01 -0.00 0.03 -0.01 -0.00 -0.02 0.02 0.00 -0.02 -0.01 0.01 -0.03 0.01 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.39 -0.45 0.50 0.06 0.05 -0.14 0.01 -0.04 -0.07 -0.04 -0.04 -0.09 0.12 0.02 -0.11 -0.08 -0.16 -0.18 0.08 -0.02 0.01 -0.01 0.04 -0.03 0.05 0.01 -0.01 -0.07 -0.01 0.04 -0.07 -0.03 0.04 -0.10 -0.03 0.05 0.01 -0.05 0.00 0.01 -0.01 0.01 0.01 0.03 -0.00 0.01 0.03 -0.01 0.01 0.03 -0.00 -0.03 -0.02 -0.02 0.01 0.03 -0.00 -0.17 0.10 0.28 -0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.00 0.01 0.03 -0.03 0.01 0.05 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.03 0.02 0.02 -0.01 -0.07 0.00 -0.01 -0.01 -0.02 -0.00 0.03 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.08 -0.14 0.06 0.24 0.08 -0.03 -0.13 0.14 -0.08 -0.23 -0.04 0.02 0.03 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 0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.02 -0.05 -0.09 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.45 0.24 0.71 0.00 0.01 -0.03 -0.00 0.01 -0.01 -0.01 -0.04 0.00 -0.01 -0.03 -0.01 0.01 -0.01 -0.03 0.02 0.04 -0.00 -0.00 0.05 0.11 0.01 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.04 -0.02 0.04 -0.04 -0.13 -0.05 0.03 0.10 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.05 0.01 -0.02 0.03 -0.01 0.04 0.10 -0.01 -0.14 -0.09 0.05 0.13 0.01 -0.01 -0.02 0.00 -0.00 0.00 -0.01 0.01 0.03 -0.00 -0.01 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.01 0.04 0.08 0.07 -0.00 -0.05 -0.31 0.15 0.51 0.23 -0.14 -0.41 -0.02 -0.04 -0.02 0.00 0.01 -0.02 0.01 0.03 0.01 0.06 0.05 -0.09 -0.01 -0.01 0.04 -0.03 0.00 0.03 -0.01 0.01 0.01 -0.03 -0.00 0.05 -0.07 -0.06 -0.07 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.02 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 0.10 -0.14 -0.23 -0.01 -0.02 0.06 0.00 -0.04 0.03 0.01 0.11 -0.02 -0.01 -0.01 -0.01 0.01 -0.00 -0.04 0.04 0.09 0.00 0.13 -0.12 -0.30 0.04 0.04 -0.00 0.05 -0.00 0.03 -0.04 0.01 -0.01 -0.04 -0.04 -0.05 0.02 -0.02 -0.01 -0.02 -0.00 -0.01 0.01 -0.01 0.01 -0.02 -0.06 -0.03 0.00 -0.00 -0.04 -0.11 0.01 0.05 -0.01 -0.02 -0.03 0.02 0.02 -0.00 0.00 0.03 -0.01 0.04 -0.09 -0.13 0.00 -0.06 0.06 -0.03 0.09 0.22 -0.05 -0.06 0.05 0.07 -0.01 -0.07 0.01 0.05 -0.12 0.01 0.05 0.07 -0.04 0.03 -0.02 0.08 0.02 -0.04 0.00 -0.03 0.01 0.01 0.03 -0.00 0.01 -0.02 -0.01 -0.02 0.00 0.02 0.01 -0.03 0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 0.01 -0.03 -0.04 -0.12 -0.06 0.35 -0.11 -0.01 0.03 -0.10 0.06 0.06 -0.15 -0.00 0.36 -0.12 -0.26 -0.33 -0.07 0.05 0.01 -0.01 0.00 0.02 -0.10 0.06 -0.01 0.08 0.03 -0.04 0.09 0.01 -0.04 0.07 0.01 -0.02 0.02 -0.05 -0.01 0.01 -0.02 0.01 0.01 0.03 -0.00 0.01 0.03 -0.00 0.01 0.02 0.00 -0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.20 0.13 0.42 -0.02 -0.00 0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.01 0.20 0.04 -0.09 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.06 0.00 0.04 -0.04 -0.09 -0.07 0.03 -0.00 -0.01 0.00 0.01 0.02 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.05 0.08 -0.09 -0.16 0.03 0.04 0.14 0.18 0.22 -0.00 0.15 0.06 -0.11 -0.17 -0.16 0.13 -0.05 0.01 -0.17 -0.07 -0.03 0.08 -0.05 0.02 -0.19 -0.05 0.08 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.14 0.09 -0.03 -0.20 0.17 0.12 -0.03 -0.17 -0.16 0.12 -0.03 0.04 -0.32 0.18 -0.04 0.03 0.09 0.13 0.23 -0.09 0.08 0.07 0.03 0.01 0.03 0.07 -0.01 -0.15 -0.05 0.08 -0.23 -0.03 0.08 -0.16 -0.03 0.06 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.01 -0.00 0.07 -0.05 -0.16 0.05 -0.01 -0.08 -0.01 0.00 0.02 -0.01 0.00 0.03 0.02 -0.00 0.02 0.01 -0.04 -0.04 -0.03 -0.01 -0.01 0.01 -0.01 0.00 -0.03 0.03 0.08 0.00 -0.00 0.01 -0.12 0.02 0.04 0.02 -0.05 -0.06 0.02 0.03 -0.01 0.00 0.03 -0.00 -0.02 0.05 0.07 -0.01 0.05 -0.05 0.00 -0.01 -0.05 0.04 0.03 -0.02 -0.05 0.00 0.01 0.03 -0.05 0.06 -0.03 -0.04 -0.06 0.03 -0.02 0.01 -0.03 -0.01 0.01 0.00 0.02 0.12 0.03 0.03 0.01 0.01 -0.02 -0.01 -0.02 -0.01 0.00 -0.00 -0.03 0.01 -0.00 0.01 -0.00 0.01 0.01 0.00 0.28 0.26 -0.36 0.02 0.03 -0.12 0.01 0.00 0.07 0.05 -0.02 0.05 -0.03 0.01 -0.11 -0.13 -0.26 -0.33 0.03 -0.02 0.00 0.03 -0.02 0.01 0.04 -0.03 0.01 -0.04 0.02 0.01 -0.02 -0.02 0.02 -0.03 -0.00 0.02 -0.02 -0.05 0.02 0.02 -0.03 0.02 0.01 0.03 -0.00 0.01 0.03 -0.01 0.01 0.02 0.01 -0.00 -0.00 -0.01 0.01 0.02 0.00 -0.20 0.15 0.56 -0.01 0.00 0.03 0.02 0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.04 -0.04 -0.07 -0.02 -0.00 -0.00 -0.01 0.02 -0.01 0.01 0.03 -0.03 -0.00 -0.00 -0.00 -0.00 -0.05 -0.13 0.08 -0.04 -0.06 -0.03 0.03 0.07 -0.03 0.00 0.05 -0.02 -0.02 0.01 0.00 -0.02 -0.00 0.00 0.00 0.03 0.00 -0.01 -0.01 0.01 -0.02 -0.01 0.00 0.01 -0.02 0.02 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.12 0.27 0.08 -0.03 -0.07 0.03 -0.01 -0.06 0.02 -0.02 -0.05 -0.03 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.19 -0.12 0.24 -0.04 -0.00 0.09 -0.09 -0.02 0.08 -0.10 0.01 0.13 -0.09 0.01 0.17 -0.01 0.36 0.53 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.02 -0.01 0.00 0.00 -0.00 0.00 -0.22 0.10 0.29 0.01 -0.02 0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.02 0.02 0.02 0.01 -0.00 0.00 0.05 0.07 0.26 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.01 0.01 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.03 -0.03 -0.00 -0.00 -0.00 0.01 0.00 0.02 -0.01 0.02 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.07 0.01 0.11 0.01 0.01 -0.03 0.01 0.01 0.01 0.04 -0.01 -0.04 0.00 0.01 -0.02 0.04 -0.01 -0.02 0.04 -0.01 -0.09 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.04 -0.02 0.00 0.02 -0.01 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 -0.13 -0.08 0.14 -0.09 0.00 0.16 -0.24 -0.01 0.36 -0.26 0.01 0.48 -0.35 0.00 0.50 0.01 -0.06 -0.09 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.00 0.03 0.00 -0.03 -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 0.01 -0.01 -0.07 -0.01 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.08 -0.00 0.01 -0.06 -0.02 -0.02 -0.03 0.03 -0.03 0.01 0.01 -0.01 0.00 0.00 0.00 0.02 0.03 -0.04 0.13 -0.12 0.00 0.10 0.05 -0.09 0.08 -0.03 -0.09 0.00 -0.00 -0.01 -0.01 -0.01 0.02 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 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.02 -0.05 0.01 0.06 0.25 -0.02 0.00 0.04 -0.07 -0.01 0.04 -0.08 -0.03 -0.01 -0.01 0.00 -0.00 0.03 0.04 0.01 -0.06 -0.03 0.07 -0.02 -0.00 0.03 0.00 -0.01 -0.02 -0.01 0.00 0.01 0.00 0.00 0.01 0.05 0.34 0.33 -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 0.01 0.21 -0.25 -0.51 0.03 -0.07 0.04 0.02 0.05 0.01 0.01 0.06 -0.01 0.02 0.01 0.02 0.06 0.07 0.03 0.00 -0.00 0.01 0.12 0.02 0.42 -0.02 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.03 0.06 -0.01 -0.07 0.06 0.02 0.04 0.03 -0.03 0.04 -0.01 0.02 -0.01 -0.00 -0.01 -0.02 0.07 -0.06 -0.06 -0.10 0.07 -0.14 -0.00 -0.13 -0.10 0.03 -0.03 -0.10 -0.01 -0.01 0.01 0.05 -0.00 -0.07 -0.01 0.06 0.10 0.00 -0.02 0.01 -0.02 -0.00 0.01 -0.02 0.00 0.04 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.03 0.07 0.26 -0.24 0.06 0.13 -0.02 0.02 0.03 0.02 0.03 0.03 0.05 0.05 0.06 0.01 0.00 0.01 -0.03 -0.04 -0.00 -0.14 -0.06 0.18 0.10 -0.02 -0.12 -0.02 -0.00 0.01 0.11 0.02 -0.14 0.09 0.01 -0.15 0.06 -0.18 -0.16 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 0.01 -0.01 0.02 0.01 -0.01 0.40 -0.06 -0.49 -0.04 0.09 -0.05 -0.02 -0.06 0.01 -0.03 -0.05 0.01 -0.02 0.00 -0.01 -0.07 -0.07 -0.03 -0.03 0.00 -0.01 -0.15 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.04 -0.04 -0.07 -0.02 0.01 0.03 -0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.02 -0.02 -0.04 -0.01 -0.04 -0.05 -0.01 0.02 0.02 0.04 -0.02 0.05 0.00 0.04 0.03 -0.01 0.00 0.03 -0.09 -0.02 0.14 0.16 0.02 -0.26 -0.05 0.16 0.27 0.02 -0.04 -0.01 -0.04 0.00 0.05 -0.06 0.00 0.11 0.01 -0.00 -0.04 0.02 -0.02 0.01 0.02 0.00 -0.02 -0.02 -0.02 -0.09 0.07 -0.02 -0.03 0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.02 0.00 -0.10 -0.12 0.12 0.33 -0.06 -0.43 -0.14 -0.00 0.21 0.23 0.04 -0.31 0.16 0.01 -0.29 -0.00 0.08 0.08 0.01 -0.01 0.04 0.05 -0.04 0.04 -0.04 0.02 0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.02 0.05 0.02 -0.04 -0.07 -0.01 0.06 0.01 -0.03 0.02 0.01 0.02 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 0.02 0.02 0.01 -0.00 0.00 0.01 0.07 -0.02 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 -0.01 0.02 -0.01 -0.03 0.02 -0.01 -0.03 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.00 -0.01 -0.01 0.03 -0.02 -0.05 0.03 -0.01 -0.05 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 0.02 -0.03 0.02 0.06 -0.08 0.04 0.14 -0.08 0.04 0.13 0.12 -0.06 -0.19 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.01 0.05 0.02 -0.01 -0.02 0.01 -0.00 -0.03 0.02 0.00 -0.03 0.03 0.01 -0.05 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.47 0.24 0.77 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.04 -0.03 0.02 0.03 0.01 -0.02 -0.02 -0.02 0.05 -0.02 -0.01 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.19 -0.09 0.04 0.00 -0.00 0.00 -0.03 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.02 -0.01 0.00 -0.01 -0.02 -0.01 0.00 0.08 -0.00 -0.04 -0.02 -0.00 -0.01 -0.00 -0.07 0.07 -0.04 0.01 -0.09 -0.01 -0.12 0.06 -0.06 0.07 0.02 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.02 -0.01 0.02 -0.03 0.01 0.01 -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 0.59 0.20 -0.49 0.05 0.07 -0.19 -0.17 -0.09 0.11 -0.20 -0.08 -0.11 -0.04 -0.04 0.22 -0.05 0.11 0.21 -0.00 0.00 -0.00 -0.02 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.02 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 -0.00 -0.00 -0.01 -0.00 -0.06 0.02 -0.05 -0.07 -0.05 -0.00 -0.03 0.04 -0.05 0.03 -0.01 0.01 -0.02 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.08 0.26 0.18 -0.00 -0.03 0.03 0.04 -0.00 0.03 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.00 0.01 0.02 0.02 0.02 0.03 0.03 -0.11 -0.01 0.03 -0.06 0.07 -0.03 0.04 -0.05 -0.04 -0.18 -0.00 -0.11 0.07 -0.07 0.02 0.03 0.05 -0.08 0.05 -0.03 0.06 0.01 -0.02 -0.01 0.01 -0.02 0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.11 0.18 0.59 -0.13 0.05 0.13 -0.09 -0.17 -0.23 -0.18 -0.02 -0.09 0.13 0.07 -0.15 0.05 -0.17 -0.26 -0.01 0.03 -0.02 -0.11 0.11 -0.07 -0.04 0.07 -0.05 0.02 0.02 -0.02 0.04 0.02 -0.03 0.09 0.03 -0.05 -0.00 -0.02 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.02 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.04 -0.05 0.00 0.05 -0.03 -0.01 -0.02 0.00 0.02 -0.01 0.00 0.00 0.00 -0.04 0.05 -0.04 0.03 -0.01 0.02 -0.04 -0.01 -0.03 0.01 -0.05 -0.01 0.00 0.00 -0.00 0.24 0.06 -0.04 -0.04 -0.11 0.02 -0.03 0.04 -0.01 0.03 0.04 0.05 0.01 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.02 0.01 0.02 0.02 0.00 -0.02 -0.01 0.00 0.00 0.02 -0.00 -0.02 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.04 -0.00 0.06 0.02 -0.02 -0.05 -0.01 -0.03 -0.00 -0.01 -0.03 -0.01 -0.03 -0.07 0.01 -0.00 0.06 -0.02 0.04 0.06 0.01 0.06 0.00 -0.08 0.11 0.00 -0.17 -0.09 -0.00 0.14 0.02 -0.01 -0.07 -0.07 -0.02 0.13 0.30 -0.25 -0.70 0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.06 -0.14 0.03 -0.02 0.08 -0.03 -0.02 0.02 -0.02 -0.02 0.02 -0.02 0.03 0.01 0.02 0.06 0.06 0.01 0.02 0.02 0.02 -0.08 -0.04 0.24 -0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.03 -0.03 -0.02 -0.00 0.01 -0.02 0.02 0.02 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.03 -0.01 0.06 0.02 0.01 -0.05 -0.02 0.05 0.01 0.05 -0.02 -0.08 -0.04 -0.01 0.08 0.03 0.01 -0.06 -0.01 0.01 0.06 0.04 -0.02 0.01 -0.02 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 0.08 -0.00 -0.11 -0.31 0.01 0.50 0.31 0.01 -0.42 -0.24 0.02 0.35 0.21 -0.00 -0.28 0.03 -0.02 -0.06 -0.01 -0.01 0.01 0.06 -0.05 0.03 0.01 -0.03 0.02 -0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.03 -0.01 0.01 -0.00 -0.02 0.00 -0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 0.02 0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 0.03 0.00 -0.00 0.00 0.02 0.01 0.01 -0.01 0.00 0.00 0.01 0.05 -0.03 0.04 -0.05 0.02 0.11 -0.07 0.09 -0.11 -0.04 -0.06 -0.01 -0.04 -0.04 0.00 -0.10 0.08 -0.09 0.04 -0.02 -0.02 0.04 -0.00 -0.11 0.04 -0.08 0.09 0.02 0.03 -0.03 0.03 0.01 0.06 -0.02 0.00 0.06 -0.12 0.08 0.02 0.10 -0.01 -0.01 0.06 0.00 0.06 -0.05 0.03 -0.08 -0.04 -0.04 -0.15 0.08 -0.05 0.10 -0.01 -0.02 0.07 0.03 -0.01 -0.07 -0.04 -0.00 -0.08 -0.07 -0.03 0.03 -0.07 0.05 0.01 -0.12 0.04 -0.01 0.17 -0.06 0.10 0.13 0.02 0.01 -0.06 -0.14 -0.11 0.11 0.02 0.03 0.06 -0.01 0.03 -0.04 0.08 -0.03 -0.01 -0.15 -0.15 0.13 0.30 0.07 0.01 -0.01 -0.25 0.25 -0.15 -0.04 0.13 -0.10 -0.03 0.04 -0.01 -0.00 0.03 -0.03 0.25 0.09 -0.15 0.03 -0.05 0.03 -0.07 0.28 -0.13 -0.06 0.02 -0.04 -0.06 0.01 -0.04 0.07 0.03 0.03 0.14 0.16 0.05 0.05 0.02 0.04 0.06 0.02 -0.06 0.02 -0.01 -0.03 0.00 0.01 0.00 0.01 -0.03 0.02 -0.01 -0.06 0.03 0.03 -0.04 0.02 0.08 -0.05 0.07 -0.09 -0.03 -0.05 0.00 0.08 0.04 0.00 0.11 -0.09 -0.09 0.01 -0.00 -0.01 0.04 -0.00 -0.09 0.03 -0.06 0.06 0.01 0.02 0.03 -0.03 -0.03 -0.07 0.03 0.00 -0.07 0.13 -0.09 -0.02 -0.12 0.03 0.02 -0.07 -0.02 -0.06 0.05 -0.02 0.09 0.05 0.04 0.17 -0.09 0.05 -0.11 0.01 0.03 0.06 0.03 -0.02 -0.04 -0.03 -0.00 -0.06 -0.05 -0.02 0.03 -0.06 0.04 0.01 -0.09 0.03 -0.01 0.13 -0.04 0.08 0.10 0.02 -0.07 0.04 0.21 0.17 -0.13 -0.08 -0.07 -0.07 0.07 0.01 0.06 -0.12 0.02 0.03 0.17 -0.14 0.07 0.24 -0.09 -0.01 0.01 0.29 -0.28 0.17 0.04 -0.15 0.11 0.04 -0.04 0.01 0.01 -0.04 0.04 -0.29 -0.10 0.17 0.03 -0.03 0.02 -0.05 0.21 -0.10 -0.05 0.01 -0.03 -0.04 0.01 -0.03 0.06 0.02 0.03 0.11 0.12 0.04 0.04 0.02 0.03 0.06 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 -0.01 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.02 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.02 -0.00 0.03 -0.02 0.00 0.02 0.00 -0.01 -0.01 0.04 -0.01 -0.08 0.06 0.01 -0.10 -0.02 -0.00 0.04 -0.03 0.00 0.07 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 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.02 -0.29 0.01 0.41 -0.42 -0.01 0.54 0.14 -0.01 -0.22 0.24 0.01 -0.34 0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 0.02 -0.03 -0.01 0.03 -0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.01 0.01 -0.00 0.00 -0.05 0.03 -0.00 -0.00 -0.00 0.08 -0.12 0.04 0.04 -0.06 0.04 0.17 0.11 0.08 -0.01 0.03 0.00 -0.00 -0.00 0.00 -0.03 0.30 -0.12 -0.05 -0.19 0.10 -0.07 -0.06 -0.02 -0.02 0.13 -0.05 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.02 -0.01 0.03 -0.01 0.01 0.01 0.02 0.00 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.11 0.00 -0.03 -0.07 0.02 -0.06 -0.02 -0.06 0.01 -0.03 0.12 -0.06 0.04 -0.03 0.03 -0.01 0.09 -0.03 -0.13 -0.18 -0.03 -0.08 -0.03 0.09 0.04 -0.01 -0.01 0.13 -0.00 -0.18 0.05 0.01 -0.07 -0.12 0.00 0.18 -0.02 0.45 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 0.01 0.01 -0.00 -0.04 -0.27 0.07 -0.02 0.12 -0.05 -0.03 0.02 -0.02 -0.03 0.02 -0.02 -0.09 -0.02 -0.05 -0.18 -0.21 -0.06 -0.07 -0.01 -0.05 -0.17 -0.17 0.21 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.02 0.00 -0.03 0.04 -0.03 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 0.06 -0.03 0.01 -0.03 0.01 -0.08 0.42 -0.17 -0.31 -0.35 -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.04 0.00 -0.01 0.05 0.01 0.02 0.02 0.01 0.01 0.39 -0.08 0.26 0.00 -0.06 0.02 -0.01 -0.00 -0.00 -0.02 -0.01 0.01 0.04 -0.00 -0.05 -0.03 -0.00 0.04 -0.05 0.01 0.07 0.04 -0.00 -0.05 0.05 0.09 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.36 -0.21 0.31 0.01 -0.07 0.03 0.01 -0.04 0.01 0.00 -0.03 0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.02 -0.01 -0.05 -0.02 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.01 0.06 0.03 0.00 -0.03 0.05 -0.00 -0.09 -0.05 -0.00 0.07 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.28 -0.01 -0.39 -0.17 -0.01 0.24 -0.35 -0.00 0.53 0.27 -0.01 -0.41 -0.00 0.03 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 -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 -0.01 -0.01 0.01 -0.00 -0.02 0.00 0.01 0.01 0.01 -0.01 -0.02 0.02 0.00 0.00 -0.00 0.10 -0.09 0.03 -0.04 0.27 -0.11 -0.15 -0.21 -0.03 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.03 0.24 -0.10 -0.12 -0.09 0.02 0.00 -0.08 0.03 0.02 0.06 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -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 0.07 -0.04 0.01 -0.06 0.03 -0.05 0.06 0.12 0.00 -0.03 -0.10 0.01 0.01 0.02 -0.00 0.06 -0.28 0.13 0.19 0.18 0.06 -0.06 -0.03 0.06 -0.01 -0.01 0.03 -0.01 -0.00 0.00 0.03 0.01 -0.04 -0.01 0.02 0.00 -0.02 0.38 0.07 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.02 0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.12 0.03 0.06 -0.20 0.06 0.03 -0.18 0.11 0.16 0.17 0.02 -0.03 0.03 -0.01 0.08 0.15 0.06 -0.37 -0.11 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 0.01 -0.01 -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 -0.01 -0.02 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 0.01 -0.05 0.00 0.09 -0.06 0.05 -0.00 -0.05 0.02 0.07 0.17 0.03 0.06 -0.03 0.04 -0.07 0.10 -0.03 -0.15 -0.15 -0.09 0.05 -0.02 0.01 -0.03 0.06 -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 -0.02 0.04 0.06 0.34 0.16 0.29 0.31 -0.06 0.24 0.02 0.25 -0.03 -0.06 -0.38 -0.04 0.00 0.01 -0.00 -0.02 0.00 0.00 0.07 -0.05 0.03 -0.00 -0.01 0.02 0.21 -0.08 -0.06 0.23 -0.04 -0.02 -0.30 -0.13 0.19 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 -0.01 0.00 0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.02 -0.01 0.00 -0.00 -0.11 0.03 -0.04 -0.06 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 0.01 0.07 -0.03 -0.01 -0.03 0.00 0.09 -0.02 0.06 -0.09 -0.04 -0.04 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 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.02 -0.05 0.02 0.03 0.06 -0.00 -0.01 -0.03 0.01 -0.00 -0.02 0.01 0.02 0.10 -0.02 -0.04 0.09 -0.05 0.04 0.03 0.02 -0.02 -0.01 0.02 0.02 -0.01 0.02 0.02 -0.01 0.02 0.01 0.03 0.00 0.00 -0.01 -0.00 0.06 0.14 -0.08 -0.04 0.02 -0.01 0.02 -0.03 0.01 -0.02 -0.01 0.01 -0.05 0.02 0.01 -0.05 0.01 0.00 0.06 0.03 -0.04 0.24 0.84 -0.12 0.04 -0.07 0.04 -0.00 0.12 -0.01 0.02 0.11 -0.05 0.04 0.06 -0.00 -0.03 -0.01 -0.01 0.01 0.05 0.01 -0.20 -0.04 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 -0.08 0.03 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.03 -0.00 0.01 -0.02 0.03 -0.02 -0.00 -0.01 -0.02 0.04 -0.01 0.03 -0.05 0.02 0.03 0.03 0.01 0.01 -0.09 0.06 0.02 0.09 -0.07 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.02 0.01 -0.00 -0.13 0.00 -0.10 -0.12 0.05 -0.14 -0.02 -0.15 -0.01 -0.01 0.10 0.01 0.01 0.01 -0.01 0.38 -0.20 0.08 -0.18 0.28 -0.14 0.17 0.10 -0.07 0.35 -0.12 -0.10 0.35 -0.04 -0.03 -0.36 -0.17 0.26 0.03 0.09 -0.01 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 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.04 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.03 -0.02 -0.02 -0.05 -0.04 0.04 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.02 0.04 0.01 -0.06 0.13 -0.03 -0.01 0.06 -0.06 0.03 -0.10 0.02 0.04 -0.13 0.02 -0.05 0.11 -0.03 -0.01 -0.02 -0.00 -0.06 -0.06 0.05 0.08 -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 -0.05 -0.06 -0.05 0.18 -0.11 0.13 0.28 -0.15 0.25 0.09 0.37 0.05 -0.00 -0.02 -0.02 -0.01 -0.00 0.01 0.40 -0.20 0.07 -0.27 0.33 -0.18 0.18 0.10 -0.08 -0.02 0.05 -0.01 -0.07 0.02 0.02 0.16 0.06 -0.07 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.04 -0.01 0.05 0.01 0.03 -0.04 0.08 -0.04 0.00 -0.00 0.00 -0.06 0.03 -0.01 0.02 0.03 0.00 -0.02 -0.08 0.02 0.00 0.01 0.01 0.01 -0.01 0.01 0.01 -0.08 0.04 0.18 -0.04 0.07 -0.07 -0.08 -0.02 -0.08 0.15 -0.09 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.03 0.02 -0.01 -0.06 0.01 -0.04 -0.07 -0.01 -0.04 -0.06 0.06 -0.06 0.11 -0.00 0.07 0.04 -0.00 0.03 0.08 -0.01 0.04 0.00 0.02 0.03 0.03 -0.01 0.01 0.02 -0.01 0.02 0.00 0.01 0.01 -0.00 0.02 -0.00 0.03 -0.08 -0.04 -0.03 0.01 -0.03 -0.02 -0.01 -0.02 0.03 -0.03 0.01 0.01 0.04 -0.01 -0.07 -0.01 0.05 0.05 0.03 -0.00 0.16 0.15 0.05 -0.08 0.24 -0.12 -0.04 -0.14 -0.02 -0.07 -0.13 0.04 0.12 0.25 -0.03 -0.34 -0.28 -0.10 -0.02 0.18 0.00 0.53 0.01 0.19 0.01 0.02 0.00 -0.03 -0.01 -0.02 0.02 -0.04 0.02 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.06 0.08 -0.03 -0.05 -0.07 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.01 0.01 0.00 -0.01 0.01 -0.02 -0.00 -0.01 -0.01 0.00 -0.02 0.01 -0.01 -0.02 0.02 -0.17 0.08 -0.29 -0.22 -0.04 -0.21 0.39 -0.35 0.12 0.41 0.21 -0.12 -0.31 -0.07 0.31 0.03 0.10 0.19 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 -0.01 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.04 -0.20 -0.02 0.24 0.04 0.15 -0.15 0.29 -0.13 0.01 -0.00 -0.00 0.03 -0.01 0.00 -0.01 -0.01 0.00 0.01 0.05 0.00 0.01 0.07 0.04 -0.01 -0.01 0.00 0.00 0.06 -0.02 -0.03 0.05 -0.03 0.02 0.04 0.00 0.06 -0.08 0.06 -0.04 -0.03 -0.03 -0.02 0.01 -0.01 0.00 0.03 -0.01 -0.00 -0.01 0.01 -0.01 0.03 -0.01 0.01 -0.02 0.00 0.01 0.00 0.01 -0.01 0.03 0.05 0.00 -0.04 -0.04 -0.03 -0.07 0.03 0.00 -0.01 0.01 0.01 0.01 0.00 0.04 0.00 0.02 -0.05 -0.01 -0.03 -0.01 0.00 -0.01 -0.04 -0.01 -0.04 -0.03 0.09 0.25 0.15 -0.02 0.03 -0.02 0.03 -0.01 -0.03 -0.08 -0.00 0.03 -0.02 0.02 0.09 0.17 -0.15 -0.04 0.02 -0.15 -0.15 0.02 -0.13 0.23 -0.18 0.05 0.19 0.13 -0.06 -0.22 -0.03 0.17 0.08 0.08 0.06 -0.13 -0.27 0.00 0.03 -0.08 0.04 0.01 0.05 0.00 0.02 0.04 -0.01 -0.01 -0.06 0.07 0.14 0.14 0.09 -0.09 -0.18 -0.01 -0.13 0.02 -0.12 -0.00 -0.01 0.00 0.01 0.00 0.01 -0.01 0.03 -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 -0.02 -0.02 -0.01 0.03 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.02 0.11 0.02 0.07 0.02 0.03 0.02 -0.10 0.04 -0.04 -0.08 -0.02 0.04 -0.12 0.03 0.02 0.02 0.01 -0.04 0.06 -0.02 0.02 0.05 -0.02 -0.04 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 -0.07 -0.18 -0.19 -0.30 -0.07 -0.22 0.14 -0.14 0.09 0.18 0.32 0.13 -0.23 0.49 -0.15 0.01 0.02 -0.01 -0.19 0.10 -0.08 0.06 -0.13 0.03 -0.03 -0.08 0.05 0.13 -0.07 -0.03 0.16 -0.03 -0.01 -0.20 -0.08 0.11 -0.01 -0.02 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.02 0.02 -0.00 0.01 0.02 -0.03 -0.03 -0.00 0.00 -0.00 -0.02 -0.00 -0.01 -0.00 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 0.01 -0.00 0.03 -0.01 -0.05 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 0.01 0.01 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.00 0.01 -0.08 0.04 0.10 -0.00 0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.02 -0.00 0.01 0.02 -0.01 -0.03 0.01 -0.05 -0.04 -0.01 -0.04 0.06 -0.06 0.02 -0.06 -0.05 0.02 0.07 0.01 -0.06 -0.03 -0.03 -0.02 0.02 0.05 -0.01 -0.01 0.04 -0.03 -0.01 -0.01 -0.01 -0.01 -0.03 0.01 -0.35 -0.47 -0.29 0.19 -0.05 -0.23 0.54 0.36 0.04 0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -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 -0.03 0.07 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 0.01 0.00 0.02 -0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.02 -0.06 -0.07 -0.01 -0.06 -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 -0.02 0.01 0.02 -0.01 -0.02 -0.03 -0.04 0.00 -0.03 0.01 -0.01 -0.01 0.01 0.02 0.01 -0.04 0.07 -0.02 0.00 -0.00 0.00 0.10 -0.05 0.28 0.24 0.02 0.21 -0.36 0.30 -0.09 0.36 0.26 -0.11 -0.34 -0.07 0.32 0.13 0.15 0.15 0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.00 0.02 -0.02 0.01 -0.02 0.01 -0.07 -0.10 -0.06 0.04 -0.01 -0.05 0.11 0.07 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 -0.03 0.02 0.05 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.07 -0.04 -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 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.01 0.00 0.01 -0.15 0.08 0.25 0.08 -0.51 0.42 -0.25 0.60 -0.13 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.06 -0.03 0.04 0.05 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.03 0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.03 0.01 0.01 0.03 -0.00 -0.05 -0.07 -0.01 -0.01 -0.07 0.02 -0.02 -0.06 0.01 0.10 -0.00 0.06 -0.06 0.02 -0.06 -0.00 0.01 0.00 -0.03 0.01 -0.03 -0.03 0.00 -0.02 0.02 0.03 0.01 0.01 -0.03 0.01 0.04 0.07 -0.06 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 -0.00 0.01 0.01 0.00 0.00 0.12 0.39 -0.05 -0.14 0.47 -0.23 -0.08 -0.28 -0.05 -0.16 -0.23 0.08 -0.03 -0.13 0.12 0.28 0.29 0.14 -0.07 -0.26 -0.01 -0.03 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 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 -0.02 -0.03 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 0.00 0.01 0.03 0.00 0.02 -0.03 -0.05 -0.02 -0.03 0.05 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.03 0.03 0.27 -0.02 0.20 0.31 -0.01 0.23 -0.27 -0.48 -0.18 -0.24 0.55 -0.16 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.02 0.01 0.00 -0.01 0.00 -0.00 0.02 0.00 -0.01 0.01 0.03 -0.01 -0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.02 0.02 0.01 -0.02 -0.02 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.03 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.00 0.00 0.08 0.10 0.02 0.03 0.04 0.01 0.02 0.00 0.01 -0.02 0.01 -0.01 0.01 -0.04 0.01 -0.02 -0.04 0.02 -0.05 0.00 -0.03 0.00 0.04 -0.01 -0.03 -0.04 -0.02 0.02 -0.02 0.01 -0.00 0.02 -0.02 -0.03 0.01 -0.02 0.01 0.01 0.01 0.02 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.02 -0.01 0.01 0.06 0.08 -0.03 -0.02 0.01 -0.02 0.01 -0.07 0.03 -0.05 -0.08 -0.01 -0.00 -0.05 0.01 -0.08 -0.08 -0.02 -0.03 0.00 -0.03 0.06 0.09 0.08 -0.12 0.02 -0.09 0.08 0.00 0.07 0.09 0.12 0.05 -0.04 0.07 -0.03 -0.08 -0.16 0.09 0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.03 -0.01 0.00 -0.07 0.02 0.02 -0.02 0.01 -0.02 0.06 0.02 -0.04 0.16 0.48 -0.06 0.10 -0.41 0.19 0.12 0.32 0.06 0.19 0.28 -0.06 -0.01 -0.05 0.06 0.14 0.13 0.06 0.00 -0.08 -0.01 0.09 -0.02 0.08 -0.01 -0.00 -0.00 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.03 0.01 -0.02 -0.03 0.09 -0.05 0.02 0.00 0.01 -0.04 0.02 -0.01 0.01 -0.01 0.00 -0.06 -0.00 -0.02 0.00 0.02 -0.01 0.04 -0.04 0.04 -0.03 -0.05 -0.02 0.04 -0.03 0.03 -0.01 0.03 -0.02 -0.04 0.02 -0.02 0.02 0.01 0.01 0.03 0.00 0.02 -0.02 -0.00 -0.01 0.01 -0.01 0.02 0.03 -0.02 0.01 0.04 0.04 -0.02 0.06 0.00 0.03 0.01 -0.05 0.02 -0.03 -0.03 -0.00 -0.02 -0.01 -0.01 0.05 0.01 0.03 0.04 -0.09 0.06 0.06 0.10 0.10 -0.15 0.02 -0.11 0.07 0.00 0.07 0.09 0.12 0.06 -0.07 0.11 -0.04 -0.05 -0.08 0.05 0.03 -0.02 -0.01 -0.02 0.01 -0.02 0.05 -0.02 0.01 -0.09 0.03 0.02 -0.06 0.02 -0.03 0.09 0.02 -0.06 0.04 0.17 -0.03 -0.07 0.25 -0.12 -0.05 -0.16 -0.04 -0.10 -0.14 0.04 0.08 0.31 -0.14 -0.37 -0.37 -0.13 0.03 0.38 -0.02 -0.21 -0.01 -0.04 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.02 -0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 0.04 -0.01 -0.00 0.07 -0.02 -0.01 0.00 -0.00 0.12 -0.05 0.03 0.01 -0.02 0.00 -0.05 -0.02 -0.00 -0.01 0.01 -0.01 0.03 -0.02 0.02 0.01 0.08 0.00 -0.11 0.07 -0.09 0.03 -0.09 0.07 0.07 -0.05 0.05 -0.03 0.00 -0.01 -0.04 -0.01 -0.02 0.05 0.01 0.03 -0.04 0.04 -0.05 -0.08 0.04 -0.02 0.05 0.06 -0.02 0.03 0.01 0.01 0.01 -0.06 0.02 -0.03 -0.05 -0.01 -0.01 -0.03 0.00 0.00 -0.02 0.01 0.01 -0.05 0.02 -0.09 -0.17 -0.16 0.36 -0.07 0.24 -0.03 0.01 -0.06 -0.13 -0.17 -0.09 0.16 -0.26 0.10 -0.06 -0.10 0.07 -0.08 0.06 0.03 0.04 -0.01 0.04 -0.13 0.06 -0.03 0.24 -0.06 -0.06 0.16 -0.07 0.07 -0.25 -0.06 0.19 0.08 0.28 -0.04 -0.01 0.00 -0.00 0.01 0.02 0.00 0.01 0.02 0.00 0.04 0.15 -0.06 -0.15 -0.15 -0.04 -0.00 0.16 -0.01 -0.08 -0.02 -0.01 -0.02 -0.00 0.00 0.03 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.03 0.01 0.00 -0.05 -0.07 -0.01 0.01 -0.08 0.03 0.07 0.02 0.03 0.08 -0.03 0.02 0.03 -0.04 0.01 -0.08 -0.07 0.01 0.04 0.00 0.02 -0.05 0.03 -0.04 -0.12 -0.09 -0.08 -0.09 0.02 -0.06 0.02 -0.02 0.02 -0.04 -0.02 -0.03 0.02 0.05 0.02 0.05 0.01 0.03 0.02 -0.00 0.01 -0.03 0.02 -0.02 -0.04 0.01 -0.01 0.11 0.13 -0.05 0.02 -0.02 0.01 0.03 0.06 -0.00 0.01 0.04 -0.01 0.02 0.04 -0.00 0.03 0.05 0.01 -0.01 0.06 -0.02 0.15 0.17 0.14 -0.06 -0.03 -0.04 0.39 0.03 0.26 0.20 0.27 0.12 0.03 -0.02 0.02 -0.13 -0.26 0.16 0.01 0.01 0.02 -0.01 0.03 0.01 -0.04 0.05 -0.03 0.07 -0.01 -0.02 0.06 -0.03 0.03 -0.11 -0.02 0.09 -0.03 -0.14 0.02 -0.03 0.16 -0.07 -0.07 -0.17 -0.02 -0.10 -0.16 0.03 -0.04 -0.18 0.07 0.16 0.16 0.05 0.02 -0.18 0.02 -0.13 -0.06 0.04 -0.01 -0.02 0.00 0.03 0.01 0.02 -0.02 0.03 -0.02 0.01 0.01 -0.01 -0.04 0.01 0.00 -0.04 -0.04 -0.01 0.01 -0.04 0.02 -0.05 -0.01 -0.03 -0.11 0.03 -0.02 0.03 -0.05 0.01 -0.09 -0.07 0.01 0.02 0.01 0.01 -0.03 0.02 -0.03 0.09 0.10 0.06 0.09 -0.01 0.06 -0.02 0.01 -0.01 0.05 0.01 0.03 -0.02 -0.05 -0.01 -0.05 -0.01 -0.03 -0.02 0.00 -0.01 0.05 -0.01 0.03 0.06 -0.01 0.01 0.13 0.15 -0.06 0.03 -0.02 0.02 0.04 0.03 0.01 -0.01 0.02 -0.01 0.01 0.02 0.00 0.02 0.03 0.01 -0.01 0.03 -0.01 -0.16 -0.24 -0.20 0.11 0.01 0.08 -0.43 -0.03 -0.29 -0.15 -0.19 -0.10 -0.01 -0.02 -0.01 -0.18 -0.32 0.23 -0.03 0.00 -0.03 0.01 -0.05 -0.02 0.04 -0.07 0.04 -0.11 0.03 0.03 -0.04 0.04 -0.07 0.15 0.03 -0.12 0.02 0.03 -0.00 -0.02 0.10 -0.04 -0.04 -0.11 -0.01 -0.06 -0.11 0.02 -0.02 -0.10 0.04 0.08 0.09 0.03 0.01 -0.11 0.01 -0.14 -0.06 0.06 -0.03 -0.00 -0.03 0.06 0.01 0.05 0.01 -0.02 0.01 -0.06 -0.05 0.02 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.08 -0.04 -0.06 0.29 0.01 -0.02 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.16 -0.03 0.11 0.08 -0.01 0.05 -0.05 0.12 -0.06 -0.01 0.05 -0.01 -0.02 -0.02 -0.02 -0.02 0.04 -0.01 -0.01 -0.02 -0.01 -0.15 -0.03 -0.00 -0.12 -0.02 0.03 0.02 0.02 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.17 0.19 -0.37 0.09 -0.24 -0.06 -0.03 -0.04 -0.17 -0.20 -0.10 -0.07 0.10 -0.04 -0.05 -0.07 0.06 0.33 -0.16 0.07 -0.16 0.30 -0.01 0.14 0.20 -0.17 0.01 -0.00 0.01 -0.09 -0.05 0.10 -0.14 -0.01 0.10 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.06 0.02 -0.04 0.09 0.02 0.07 0.03 -0.06 0.03 0.03 0.03 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.05 -0.07 -0.13 -0.04 0.04 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.15 -0.08 0.10 -0.06 0.12 -0.04 0.04 -0.08 0.04 -0.02 0.01 -0.02 -0.08 -0.01 -0.05 -0.00 0.09 -0.00 0.05 -0.04 0.03 0.07 0.03 -0.02 0.05 0.03 -0.04 -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 0.10 0.36 0.33 -0.32 0.04 -0.20 0.32 -0.03 0.22 -0.19 -0.24 -0.11 0.04 -0.02 0.03 -0.03 -0.05 0.03 -0.22 0.12 -0.01 0.12 -0.19 0.02 -0.14 -0.12 0.10 0.07 -0.04 -0.03 0.11 -0.01 -0.00 -0.03 -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 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.02 0.00 0.01 -0.03 -0.00 -0.02 -0.00 0.01 -0.00 -0.03 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.02 0.01 0.02 -0.01 0.01 0.02 -0.02 0.02 -0.00 -0.00 0.00 0.02 0.00 0.00 -0.06 -0.03 -0.03 0.02 -0.02 0.02 -0.04 -0.10 -0.03 0.14 0.23 0.08 0.01 -0.03 -0.02 -0.13 -0.02 -0.08 -0.10 -0.03 -0.06 0.06 0.07 0.04 0.04 -0.14 0.03 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.04 0.05 0.00 0.03 -0.02 0.02 -0.05 0.00 -0.03 0.02 0.04 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.07 0.07 0.07 0.52 -0.07 0.32 -0.42 -0.00 -0.29 0.03 0.01 0.03 -0.15 0.30 -0.09 0.01 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.02 0.01 -0.02 -0.01 0.00 0.06 -0.04 -0.01 0.04 -0.02 0.02 -0.06 -0.01 0.04 0.00 -0.03 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.03 0.00 0.02 0.03 0.00 -0.02 -0.04 0.00 -0.09 -0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.04 -0.02 0.00 0.01 0.04 -0.01 -0.02 0.08 -0.04 0.01 -0.00 0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.09 -0.02 -0.02 0.28 0.13 0.13 -0.12 0.12 -0.11 -0.02 -0.03 -0.02 0.06 0.09 0.04 0.00 -0.01 -0.01 -0.05 -0.01 -0.03 -0.03 -0.01 -0.02 0.02 0.02 0.02 0.02 -0.06 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.02 0.00 -0.17 -0.26 -0.01 -0.12 0.08 -0.11 0.23 0.01 0.14 -0.10 -0.19 0.00 -0.01 -0.02 0.00 0.01 -0.06 0.02 0.03 0.03 0.02 0.25 -0.04 0.15 -0.21 -0.00 -0.15 0.02 0.02 0.02 -0.07 0.13 -0.04 -0.02 -0.03 0.02 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.01 -0.02 -0.00 0.02 -0.01 0.02 -0.02 -0.00 0.02 0.01 0.19 -0.05 0.00 -0.05 0.02 0.01 0.05 -0.02 -0.00 0.05 -0.01 0.04 0.16 -0.06 -0.10 -0.13 -0.02 0.01 0.18 -0.01 0.46 0.04 0.09 0.15 -0.07 0.10 -0.19 -0.02 -0.12 -0.09 0.15 -0.08 0.02 0.00 -0.00 0.01 -0.02 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.04 0.04 -0.00 -0.01 0.00 -0.00 -0.03 -0.03 0.01 -0.03 -0.02 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 0.13 -0.12 0.06 -0.01 0.01 -0.01 -0.02 -0.00 0.01 -0.05 0.02 -0.02 -0.09 0.02 -0.06 0.03 0.10 0.02 0.03 -0.03 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.06 -0.02 -0.00 -0.01 0.00 0.02 0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.18 -0.21 -0.14 -0.39 0.06 -0.30 0.46 -0.01 0.33 -0.17 -0.24 -0.10 0.05 -0.07 0.03 0.06 0.14 -0.05 -0.01 0.00 -0.01 -0.01 0.01 -0.02 0.00 0.00 0.00 -0.02 0.02 0.00 0.01 0.00 -0.02 0.02 0.01 -0.00 0.01 0.04 -0.01 0.01 -0.01 0.01 -0.01 -0.02 0.00 -0.01 -0.02 0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.03 0.02 -0.00 0.02 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 -0.02 0.01 -0.06 -0.03 -0.02 0.00 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.05 -0.01 -0.00 0.02 0.08 -0.01 0.09 -0.04 0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.00 0.00 -0.16 -0.01 -0.09 0.17 -0.03 0.11 -0.07 0.04 -0.05 -0.04 0.02 -0.03 0.03 0.04 0.00 0.01 0.02 0.00 0.02 0.03 0.02 0.01 0.00 0.01 -0.02 0.00 -0.01 0.01 0.02 0.01 -0.00 0.00 -0.00 -0.03 -0.04 0.03 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.02 0.00 0.00 -0.01 0.03 -0.00 0.00 0.01 0.03 0.28 -0.07 0.05 -0.02 0.03 -0.07 -0.17 -0.03 -0.10 -0.15 0.03 -0.03 -0.08 -0.01 -0.05 -0.03 -0.03 -0.04 -0.07 0.01 0.81 0.09 0.20 0.03 -0.01 0.02 -0.04 -0.00 -0.02 -0.02 0.02 -0.02 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.02 -0.03 -0.00 0.00 0.03 -0.01 -0.03 -0.05 -0.05 -0.01 -0.09 0.07 -0.02 -0.02 0.01 -0.02 0.00 -0.01 -0.04 -0.03 -0.02 -0.02 0.04 -0.03 -0.01 0.03 0.01 -0.01 0.01 -0.00 0.00 0.07 -0.04 0.04 0.01 0.02 0.06 -0.02 0.04 -0.04 -0.05 -0.03 -0.02 0.02 -0.01 -0.01 0.04 -0.04 0.03 0.05 -0.05 0.01 0.01 -0.01 0.04 -0.01 0.02 0.05 0.08 0.01 -0.00 -0.09 0.03 0.02 -0.00 0.01 -0.00 0.03 -0.01 -0.02 -0.02 -0.01 0.19 0.44 0.40 -0.03 0.02 -0.02 -0.23 0.01 -0.17 0.05 0.11 0.03 -0.04 0.08 -0.03 0.10 0.17 -0.11 0.06 0.03 0.14 0.08 -0.15 0.05 -0.07 -0.17 0.07 -0.05 -0.18 -0.03 -0.02 -0.03 0.21 -0.17 -0.09 0.13 0.03 0.00 0.02 0.07 -0.13 0.08 -0.04 -0.13 0.05 -0.01 -0.14 0.00 0.04 0.14 0.02 0.13 0.09 0.07 0.06 0.12 -0.03 0.07 0.01 0.02 0.04 -0.01 0.02 -0.04 -0.00 -0.02 -0.02 0.02 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.03 0.04 0.00 -0.00 -0.05 0.02 -0.02 -0.03 -0.03 -0.01 -0.07 0.05 0.01 0.01 -0.01 0.01 -0.01 0.01 0.07 0.04 0.03 0.03 -0.07 0.04 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.06 -0.03 0.02 0.01 0.01 0.04 -0.01 0.02 -0.02 -0.03 -0.01 -0.01 0.01 -0.01 -0.01 0.03 -0.03 0.02 0.03 -0.04 0.01 0.01 -0.01 -0.03 0.01 -0.02 -0.10 -0.14 -0.02 0.00 0.15 -0.05 -0.02 0.01 -0.02 0.00 -0.06 0.02 0.03 0.04 0.01 0.10 0.24 0.22 -0.03 0.02 -0.01 -0.12 0.01 -0.09 0.04 0.08 0.02 -0.03 0.05 -0.02 -0.13 -0.18 0.15 0.06 0.02 0.11 0.06 -0.12 0.04 -0.05 -0.14 0.06 -0.06 -0.10 -0.02 0.03 -0.04 0.14 -0.11 -0.03 0.14 -0.05 -0.03 -0.02 -0.15 0.26 -0.17 0.08 0.26 -0.09 0.04 0.28 -0.01 -0.06 -0.25 -0.02 -0.23 -0.16 -0.12 -0.09 -0.23 0.05 -0.15 -0.02 -0.02 0.03 -0.01 0.02 -0.04 -0.00 -0.02 -0.01 0.02 -0.01 -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.05 -0.05 0.01 0.10 -0.07 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.03 0.01 -0.05 0.05 -0.03 0.06 -0.11 0.06 0.02 0.01 0.02 0.03 -0.01 0.03 -0.04 -0.04 -0.02 0.01 0.01 0.01 0.01 -0.04 0.04 -0.05 -0.06 0.06 0.01 0.02 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.20 0.46 0.40 0.02 0.01 0.02 -0.15 0.00 -0.11 0.06 0.13 0.04 -0.03 0.08 -0.02 0.02 0.05 -0.02 -0.08 -0.02 -0.16 -0.05 0.15 -0.02 0.09 0.20 -0.09 0.20 0.25 0.02 0.08 0.04 -0.33 0.23 0.13 -0.20 -0.01 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 -0.01 -0.01 0.00 -0.04 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 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 -0.06 0.06 -0.03 -0.05 -0.01 0.02 0.00 0.00 -0.00 -0.02 0.02 -0.02 0.00 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.04 -0.03 -0.01 -0.00 -0.01 0.02 -0.00 0.02 -0.01 -0.03 -0.01 0.01 -0.03 0.01 0.00 -0.01 -0.00 0.47 -0.11 0.16 0.22 -0.34 0.28 0.26 -0.33 0.03 0.26 0.11 -0.02 0.27 -0.04 -0.19 0.20 0.18 -0.12 -0.02 -0.04 0.00 -0.01 0.02 -0.01 0.00 0.02 -0.01 -0.01 0.01 0.00 0.02 0.06 0.00 0.05 0.04 0.04 0.02 0.06 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.03 -0.00 -0.02 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.02 0.01 0.01 -0.04 0.03 0.03 -0.01 0.02 -0.01 -0.04 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 0.02 -0.01 0.01 0.01 0.00 -0.01 0.02 0.04 -0.02 -0.08 0.12 -0.08 -0.02 -0.06 0.01 0.06 -0.07 0.06 0.00 0.11 -0.04 0.01 -0.04 0.02 -0.03 -0.06 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.02 -0.02 -0.02 -0.11 0.03 -0.04 -0.06 0.08 -0.08 -0.07 0.08 -0.00 -0.10 -0.01 0.01 -0.01 -0.01 0.06 -0.03 -0.00 0.07 -0.12 -0.29 0.02 -0.12 0.23 -0.14 0.05 0.20 -0.11 -0.02 0.23 -0.00 0.10 0.36 0.03 0.32 0.24 0.22 0.15 0.40 -0.08 0.16 -0.01 0.09 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.00 0.00 0.03 -0.02 0.00 -0.01 -0.03 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.04 -0.01 -0.01 -0.01 0.00 -0.08 0.01 -0.03 -0.01 0.00 -0.01 -0.01 0.03 -0.01 -0.04 0.01 -0.02 0.03 0.04 0.01 0.04 -0.03 0.01 0.02 -0.03 0.01 -0.01 -0.03 -0.01 0.03 0.03 0.02 -0.03 0.04 -0.02 -0.02 0.01 0.02 0.03 0.00 -0.00 -0.02 0.00 0.00 0.08 -0.04 0.05 0.00 0.02 -0.00 -0.04 -0.01 -0.02 0.03 0.02 0.01 -0.00 -0.05 0.02 -0.01 0.01 -0.00 0.04 0.06 0.04 -0.06 -0.03 -0.04 0.02 -0.04 0.01 -0.08 -0.18 -0.05 0.07 -0.20 0.04 0.08 0.15 -0.09 0.20 -0.08 -0.27 0.07 -0.25 0.10 0.09 0.16 -0.09 -0.11 -0.08 0.01 -0.21 0.04 0.11 -0.09 -0.11 -0.02 0.02 -0.01 0.02 -0.18 0.31 -0.22 0.11 0.27 -0.04 0.11 0.30 -0.01 0.01 0.03 0.03 0.03 -0.02 -0.07 0.05 -0.08 0.01 0.30 0.05 0.05 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.03 0.00 -0.00 0.03 -0.01 0.00 -0.01 -0.03 0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.03 0.01 -0.00 -0.00 0.00 -0.06 0.01 -0.02 -0.01 0.00 -0.01 -0.00 0.03 -0.01 0.03 -0.01 0.02 -0.02 -0.03 -0.01 -0.04 0.03 -0.01 -0.01 0.02 -0.01 0.01 0.03 0.00 -0.02 -0.02 -0.01 0.02 -0.03 0.01 0.02 -0.01 -0.03 -0.04 -0.00 0.02 -0.02 -0.00 0.00 0.06 -0.03 0.04 0.01 0.02 -0.00 -0.04 -0.01 -0.02 0.02 0.01 0.01 -0.00 -0.04 0.01 -0.00 0.01 -0.00 -0.03 -0.06 -0.05 0.04 0.02 0.02 -0.02 0.03 -0.00 0.05 0.12 0.03 -0.05 0.15 -0.03 0.06 0.10 -0.06 -0.27 0.11 0.39 -0.04 0.38 -0.05 -0.02 -0.23 0.09 0.24 0.04 -0.02 0.18 -0.02 -0.15 0.11 0.09 -0.13 0.02 -0.00 0.01 -0.15 0.25 -0.16 0.10 0.22 -0.02 0.09 0.22 -0.01 0.01 0.02 0.03 0.02 -0.01 -0.05 0.04 -0.06 0.01 0.23 0.04 0.04 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.00 0.02 -0.01 0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.09 -0.01 0.06 -0.07 -0.06 -0.05 -0.01 -0.01 0.02 -0.04 0.06 -0.03 -0.00 0.08 -0.00 -0.07 -0.06 -0.04 0.08 -0.09 0.05 -0.02 0.02 0.02 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.08 -0.12 -0.10 0.19 0.05 0.12 0.01 0.09 0.01 0.19 0.40 0.12 -0.13 0.41 -0.07 -0.01 -0.01 0.01 0.26 -0.10 -0.33 0.05 -0.36 0.07 0.04 0.18 -0.08 -0.11 -0.07 0.01 -0.13 0.02 0.11 -0.06 -0.07 0.02 0.01 -0.00 0.01 -0.01 0.05 -0.07 0.01 0.03 -0.02 0.03 0.08 -0.00 -0.01 -0.02 -0.00 -0.01 0.02 0.03 -0.02 0.03 -0.01 0.06 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -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 -0.02 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 -0.01 -0.00 0.00 -0.00 0.00 -0.02 0.02 -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 0.02 0.00 0.02 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.01 -0.04 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.00 -0.02 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.01 0.02 -0.01 0.04 -0.03 -0.19 -0.11 -0.17 -0.16 -0.22 0.16 0.02 0.06 -0.06 -0.01 0.23 -0.11 0.06 0.16 0.19 -0.01 0.00 0.00 0.00 -0.30 0.18 0.48 0.21 0.35 0.10 -0.23 -0.31 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.03 0.01 -0.03 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.00 -0.01 0.02 -0.03 0.02 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.03 -0.00 -0.03 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 0.02 -0.01 -0.03 0.00 -0.00 -0.00 0.00 0.01 0.01 0.05 -0.00 0.03 0.03 0.00 0.02 0.02 0.03 0.01 0.00 0.01 0.00 -0.02 -0.02 0.02 -0.05 0.04 0.24 0.17 0.21 0.24 0.31 -0.20 -0.04 -0.11 0.07 0.01 -0.33 0.15 -0.05 -0.23 -0.26 0.03 -0.00 -0.00 -0.00 -0.21 0.10 0.37 0.14 0.24 0.05 -0.20 -0.23 0.01 -0.00 -0.01 -0.00 -0.00 0.02 0.05 -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 0.00 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 0.01 0.02 -0.01 -0.01 0.01 -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 0.00 -0.00 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 0.00 -0.01 -0.02 0.01 0.02 -0.02 0.02 0.00 0.01 -0.00 -0.02 0.02 -0.02 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.03 -0.02 -0.04 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.02 0.00 -0.07 -0.10 0.06 -0.01 0.00 -0.02 -0.01 -0.01 -0.02 -0.03 0.02 0.00 0.05 -0.03 -0.00 0.02 -0.01 0.00 0.02 0.01 -0.05 0.02 0.04 -0.00 -0.03 0.05 -0.04 0.03 0.02 0.07 0.08 -0.00 -0.01 -0.02 -0.37 0.13 -0.27 0.24 0.60 -0.11 0.53 -0.11 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 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 -0.02 0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.01 -0.01 0.04 -0.02 -0.00 -0.00 0.00 0.03 -0.02 0.02 -0.01 0.01 -0.01 -0.04 0.01 -0.02 0.03 0.01 0.02 -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 -0.00 -0.00 0.09 0.13 -0.10 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 -0.02 0.00 -0.04 0.03 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.04 -0.02 -0.04 -0.00 -0.09 0.15 -0.11 0.18 -0.05 0.52 0.51 -0.22 -0.03 -0.13 -0.13 -0.33 -0.01 -0.02 -0.02 -0.37 -0.04 0.03 0.05 -0.01 0.03 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 -0.01 0.01 0.01 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.03 0.01 -0.00 -0.02 0.01 -0.01 -0.01 -0.00 -0.02 0.04 -0.02 -0.00 -0.01 0.00 -0.03 0.01 -0.02 -0.05 -0.02 -0.02 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.13 -0.18 0.13 -0.01 0.00 -0.03 0.01 -0.01 0.01 0.01 0.03 -0.01 0.06 -0.03 -0.00 -0.05 0.02 -0.01 -0.02 -0.05 -0.07 0.01 0.04 -0.01 -0.05 0.08 -0.06 0.13 -0.08 0.41 0.39 -0.21 -0.02 0.18 0.26 0.39 0.09 0.00 -0.07 0.49 -0.01 -0.02 -0.02 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 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 0.02 0.03 -0.00 0.02 -0.03 0.02 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.26 -0.05 0.16 -0.24 -0.21 -0.34 -0.41 -0.19 0.20 -0.02 0.41 0.01 -0.16 0.16 -0.35 -0.19 -0.17 0.16 0.01 0.01 -0.00 -0.02 0.03 -0.01 0.01 0.03 -0.00 -0.00 0.02 -0.00 0.01 0.02 0.01 0.01 0.01 0.01 0.02 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.04 -0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.04 0.01 0.01 -0.02 0.00 0.03 -0.03 0.02 -0.03 -0.00 -0.02 -0.03 0.00 -0.02 0.01 -0.02 0.00 0.01 0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.03 -0.04 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 0.02 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.02 0.05 0.04 0.11 -0.01 0.07 0.10 -0.01 0.04 0.03 0.03 0.02 0.04 -0.04 0.02 0.01 0.02 -0.01 0.04 -0.00 0.15 -0.01 0.08 -0.01 0.05 -0.14 0.03 -0.52 0.15 0.04 0.28 -0.18 0.17 0.15 0.32 0.54 0.01 0.02 0.00 -0.01 0.02 -0.03 0.01 0.01 0.03 0.04 0.01 -0.00 0.04 -0.02 0.13 -0.06 -0.01 0.01 0.11 -0.00 -0.01 0.01 -0.00 -0.03 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.05 0.02 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.02 -0.01 0.00 0.02 -0.01 -0.00 0.02 -0.01 0.02 0.01 0.01 0.01 0.04 0.01 0.02 -0.03 0.01 0.00 0.01 -0.00 -0.03 -0.00 -0.02 -0.03 -0.00 -0.02 0.01 -0.02 0.01 0.00 0.03 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.03 0.01 0.02 -0.06 0.03 0.00 -0.01 0.00 -0.04 0.08 -0.05 -0.00 -0.03 0.01 0.00 -0.00 0.00 -0.01 -0.05 0.03 0.03 0.07 0.07 0.12 -0.02 0.07 0.11 -0.01 0.08 0.03 0.02 0.03 0.05 -0.07 0.03 -0.10 -0.12 0.10 0.01 -0.00 0.02 -0.02 0.00 -0.03 -0.03 -0.01 0.01 0.01 -0.05 -0.00 0.02 -0.02 0.04 0.03 0.03 -0.03 0.04 0.11 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.07 0.40 -0.47 0.54 0.21 0.03 -0.27 0.20 -0.02 -0.08 0.00 -0.04 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.02 0.00 -0.00 0.04 -0.01 -0.02 -0.03 -0.02 0.00 0.01 -0.00 0.00 0.01 -0.00 0.02 -0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.03 0.11 0.03 0.05 -0.08 0.04 -0.01 0.02 -0.01 -0.10 -0.01 -0.06 -0.09 -0.01 -0.06 0.03 -0.05 0.02 0.01 0.08 0.01 0.01 0.00 0.00 -0.01 0.02 0.02 0.01 -0.00 0.00 -0.03 0.03 -0.03 0.02 0.03 0.00 0.02 -0.07 0.03 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.02 -0.01 0.09 0.18 0.16 0.36 -0.05 0.23 0.31 -0.04 0.23 0.11 0.05 0.07 0.14 -0.19 0.09 -0.06 -0.10 0.06 0.06 -0.01 0.06 -0.09 -0.04 -0.12 -0.14 -0.05 0.07 0.22 -0.24 -0.02 -0.12 0.02 0.08 0.02 -0.08 -0.33 -0.01 -0.04 0.01 -0.04 0.06 -0.04 0.02 0.05 -0.01 0.01 0.05 -0.00 0.01 -0.14 0.12 -0.19 -0.10 -0.06 0.06 -0.12 0.02 -0.02 -0.01 0.03 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.04 0.03 -0.01 -0.04 -0.08 -0.00 0.01 0.04 -0.01 0.00 0.01 0.01 -0.00 -0.02 0.01 0.02 0.03 -0.02 0.12 0.01 0.03 -0.03 -0.00 -0.01 0.03 0.02 0.01 -0.01 -0.03 -0.01 -0.01 0.02 -0.01 0.00 0.00 -0.00 0.02 0.00 0.01 0.03 0.00 0.02 -0.00 0.02 -0.00 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.05 0.01 -0.12 -0.03 -0.05 0.14 0.16 0.03 -0.01 -0.06 0.02 -0.02 -0.08 0.01 -0.00 -0.05 0.02 0.00 -0.00 0.01 -0.02 -0.03 -0.02 -0.10 0.01 -0.07 -0.09 0.01 -0.06 -0.03 -0.03 -0.02 -0.03 0.04 -0.02 -0.18 -0.29 0.18 -0.05 0.01 -0.06 0.05 0.01 0.07 0.06 0.05 -0.04 -0.04 0.06 -0.00 0.02 0.01 -0.03 -0.04 -0.01 0.09 0.07 0.18 -0.02 -0.20 0.34 -0.23 0.12 0.29 -0.06 0.09 0.31 -0.01 -0.04 -0.00 -0.11 0.00 -0.04 -0.07 -0.09 -0.06 0.02 -0.41 -0.06 -0.11 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.09 0.06 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 0.01 0.03 -0.03 0.02 -0.05 0.06 -0.03 -0.03 -0.00 -0.02 -0.02 -0.01 -0.02 0.01 -0.02 0.01 -0.00 0.03 -0.00 -0.01 -0.01 0.00 0.00 -0.02 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 0.05 0.05 0.11 -0.01 0.07 0.08 -0.01 0.06 0.03 0.00 0.02 0.04 -0.07 0.03 0.03 0.05 -0.03 -0.21 0.03 -0.32 0.17 -0.01 0.21 0.16 0.30 -0.17 0.07 0.48 -0.01 0.14 0.09 -0.43 -0.14 -0.04 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 0.01 -0.01 0.04 -0.02 0.00 0.01 0.03 0.00 -0.00 0.02 -0.00 -0.01 -0.02 0.01 -0.01 0.01 -0.00 0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.04 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.08 0.04 0.04 0.00 0.02 -0.02 0.03 -0.02 0.01 -0.00 0.01 0.01 0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.05 0.07 -0.02 -0.05 -0.07 -0.01 0.07 -0.02 0.05 0.03 0.11 -0.02 -0.05 -0.05 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.05 -0.00 0.04 0.04 -0.00 0.03 0.02 0.02 0.01 0.01 -0.01 0.01 0.38 0.58 -0.37 0.02 -0.00 0.02 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.03 -0.10 -0.00 -0.05 0.00 0.06 -0.01 -0.03 -0.08 0.01 0.16 -0.05 -0.05 0.08 -0.05 0.03 0.06 -0.01 0.03 0.06 0.00 0.07 0.04 0.18 -0.00 0.04 0.08 0.17 0.09 -0.03 -0.37 -0.05 -0.07 0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.03 -0.01 -0.01 0.05 -0.02 -0.03 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.07 -0.03 -0.01 0.03 -0.02 -0.23 -0.00 -0.13 -0.20 0.11 -0.16 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.11 0.03 0.15 -0.05 0.10 0.25 -0.26 0.23 0.35 0.10 0.18 -0.17 0.06 -0.13 0.02 -0.01 0.01 0.02 0.01 0.01 -0.01 0.00 0.02 -0.02 0.00 -0.01 0.01 0.00 0.01 0.01 0.02 -0.00 0.00 0.01 -0.00 -0.23 -0.33 0.21 -0.02 0.01 -0.01 0.00 0.01 0.00 -0.00 0.02 -0.01 -0.04 0.10 0.01 0.06 -0.01 -0.04 0.01 0.05 0.11 -0.22 0.01 -0.14 -0.04 0.11 -0.06 0.04 0.05 0.00 0.04 0.05 0.01 -0.01 -0.07 -0.03 -0.08 -0.08 -0.05 -0.04 -0.07 0.03 0.15 0.03 -0.02 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -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 -0.04 0.25 -0.02 -0.08 -0.22 -0.05 -0.04 0.01 0.01 -0.05 -0.16 -0.03 0.07 0.11 0.05 0.13 0.32 0.08 0.01 -0.27 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 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 0.17 0.28 0.25 0.02 -0.19 0.02 -0.14 0.14 -0.09 -0.29 -0.39 -0.17 -0.21 0.19 -0.13 -0.00 0.00 0.00 0.03 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 0.01 -0.00 0.02 -0.01 0.01 0.01 -0.01 0.01 -0.02 -0.03 -0.01 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.07 -0.05 -0.00 -0.09 -0.14 -0.01 -0.02 -0.16 0.03 0.05 -0.03 0.03 -0.04 0.01 -0.03 -0.06 -0.02 0.01 -0.08 0.01 -0.05 0.08 -0.02 0.05 0.05 0.01 0.03 -0.05 0.04 -0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 -0.02 0.12 0.34 -0.04 -0.00 0.21 -0.07 0.16 0.23 0.02 -0.11 -0.33 0.04 -0.00 -0.03 0.01 -0.01 -0.03 0.00 -0.00 -0.01 0.00 0.11 -0.01 0.07 -0.10 -0.01 -0.08 0.01 -0.07 0.01 0.01 -0.10 -0.00 -0.02 -0.06 0.02 0.04 -0.01 0.01 -0.01 -0.02 -0.00 0.01 -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.02 0.01 -0.01 0.08 0.32 -0.06 -0.03 -0.00 -0.01 0.00 0.09 -0.10 -0.06 0.11 0.00 0.05 0.11 0.07 0.03 -0.01 0.02 0.11 0.07 -0.02 0.49 0.04 0.17 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.08 0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.02 0.03 0.00 0.01 0.02 -0.02 -0.00 -0.00 0.00 0.02 0.01 0.00 0.02 0.04 -0.00 0.00 0.05 -0.01 0.17 -0.12 0.11 -0.15 0.04 -0.10 -0.10 -0.06 0.04 -0.26 0.03 -0.16 0.26 -0.07 0.17 0.14 0.01 0.09 -0.16 0.15 -0.10 -0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.03 -0.10 0.02 0.01 -0.07 0.02 -0.04 -0.07 -0.00 0.03 0.10 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.07 -0.09 -0.06 0.35 -0.01 0.22 -0.34 -0.03 -0.25 0.04 -0.20 0.03 0.02 -0.31 0.01 0.01 0.03 -0.01 0.08 -0.02 0.03 -0.01 -0.04 0.00 0.02 -0.05 0.01 -0.07 -0.02 0.01 -0.02 -0.00 0.04 -0.00 0.00 0.02 -0.03 -0.09 0.01 0.01 0.00 0.00 -0.00 -0.02 0.03 0.02 -0.03 -0.00 -0.01 -0.03 0.00 -0.02 -0.00 -0.00 -0.01 -0.02 0.01 -0.13 -0.01 -0.05 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.34 -0.10 0.04 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 -0.08 -0.07 0.06 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.10 -0.00 0.05 -0.11 -0.05 -0.05 0.56 0.22 -0.08 -0.09 -0.00 -0.06 0.07 0.02 0.04 0.05 0.03 0.03 -0.03 -0.01 -0.02 0.04 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.19 -0.27 -0.25 0.14 -0.02 0.09 -0.10 0.03 -0.06 -0.00 -0.06 0.00 -0.02 -0.02 -0.02 0.02 0.04 -0.02 -0.30 0.09 -0.08 0.04 0.14 -0.01 -0.05 0.18 -0.04 0.20 0.04 -0.01 0.08 -0.03 -0.09 0.03 0.02 -0.05 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.30 0.20 -0.07 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.07 0.03 -0.01 -0.08 0.01 -0.03 0.02 0.01 0.01 0.02 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.50 -0.37 0.13 -0.01 0.01 -0.00 -0.02 0.00 -0.01 -0.02 0.01 -0.02 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.01 0.04 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.14 0.38 -0.12 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.02 -0.00 0.02 0.04 0.00 0.00 0.01 -0.03 0.01 0.00 -0.01 0.01 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.50 0.08 0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.03 -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 0.04 0.11 -0.01 -0.04 -0.00 0.04 -0.04 -0.06 -0.14 0.09 0.01 0.74 -0.19 -0.53 -0.19 -0.16 0.17 -0.06 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.05 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.13 -0.43 0.03 0.21 0.01 -0.18 0.22 0.30 0.73 0.02 0.00 0.17 -0.04 -0.10 -0.03 -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 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 -0.02 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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.33 -0.24 -0.12 0.56 -0.24 -0.25 0.03 0.04 0.61 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.03 -0.03 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.47 -0.13 -0.18 -0.15 0.35 -0.21 0.00 0.11 0.72 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.05 -0.07 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.04 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 0.07 -0.02 0.61 0.24 0.71 0.22 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 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.08 -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 0.25 0.78 -0.08 -0.17 -0.03 0.12 0.13 0.17 0.46 -0.01 -0.00 -0.04 -0.00 -0.02 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.08 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 -0.03 -0.03 -0.03 -0.60 0.24 0.25 0.05 0.05 0.71 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.00 -0.08 -0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.63 0.18 0.21 0.12 -0.25 0.13 0.01 0.10 0.64 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.08 -0.04 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 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 0.71 0.51 0.25 0.22 -0.10 -0.11 0.00 0.02 0.31 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.07 -0.02 0.06 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.09 0.30 -0.02 0.73 0.06 -0.59 -0.05 -0.06 -0.10 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.06 -0.06 0.03 0.00 -0.00 0.00 0.00 0.03 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.45 0.12 0.18 -0.30 0.68 -0.41 0.01 -0.03 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.00 -0.01 0.01 -0.01 0.02 0.01 0.01 0.00 -0.00 -0.00 0.05 -0.06 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.00 0.01 0.34 0.02 0.13 -0.10 0.08 -0.21 -0.13 -0.14 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 -0.01 -0.13 0.05 0.12 0.05 -0.58 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.03 0.00 0.03 -0.02 0.02 -0.04 -0.02 -0.02 0.00 -0.00 -0.00 0.02 -0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.10 0.00 -0.01 -0.37 -0.02 -0.38 0.30 -0.24 0.44 0.27 0.29 -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 -0.01 -0.07 0.03 0.06 0.03 -0.30 0.30 -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 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.06 -0.00 0.04 -0.03 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.13 0.00 0.02 0.70 0.04 -0.47 0.38 -0.30 -0.06 -0.04 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.02 -0.01 0.10 -0.10 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 -0.01 0.00 0.00 -0.05 -0.00 -0.02 0.02 -0.02 -0.05 -0.03 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.16 -0.00 0.01 0.50 0.02 0.28 -0.23 0.18 0.55 0.34 0.37 0.00 -0.00 0.00 0.00 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 0.03 -0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.09 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.97 0.01 -0.00 -0.03 -0.00 -0.15 0.12 -0.10 -0.04 -0.03 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.07 0.01 -0.05 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.81 -0.17 0.55 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 0.03 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.87 -0.41 0.26 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -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 0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.06 0.04 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.78 -0.57 0.25 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.07 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.95 -0.31 16 8 8 8 8 8 8 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 16 8 8 8 8 8 8 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.97207 15.99491 15.99491 15.99491 15.99491 15.99491 15.99491 14.00307 14.00307 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 424.11650 0.99938 -0.03511 0.00403 0.03519 0.99917 -0.02029 -0.00331 0.02042 0.99979 asymmetric 1 0.01005 0.00780 0.00582 0.20935 0.16242 0.12134 992344.6 24.50 28.98 64.16 87.63 99.47 103.58 125.08 133.95 145.33 166.46 176.23 183.10 196.06 197.82 217.50 250.84 261.78 264.38 291.65 315.48 323.77 331.40 341.96 366.22 381.48 395.85 428.97 468.11 478.73 498.74 509.53 532.72 552.08 591.80 613.85 631.20 638.00 716.33 743.85 766.65 779.38 815.95 865.03 902.72 906.75 928.54 960.10 989.98 993.88 1005.88 1022.28 1038.60 1060.82 1064.13 1100.47 1119.85 1134.18 1152.13 1159.36 1195.64 1228.39 1268.43 1279.06 1307.14 1350.90 1352.28 1417.46 1433.10 1450.24 1450.76 1479.21 1536.49 1549.48 1554.89 1567.44 1604.01 1615.82 1617.17 1646.49 1673.77 1674.90 1687.10 1710.74 1725.40 1752.37 1755.38 1761.19 1779.40 1798.09 1842.05 1862.45 1899.88 1900.58 1933.61 1978.49 2022.09 2032.24 2058.46 2078.79 2082.40 2122.77 2126.94 2131.72 2138.22 2140.39 2149.25 2153.64 2156.27 2169.91 2175.94 2180.66 2191.22 2197.62 2205.52 2222.57 2307.77 2322.10 2357.75 2360.99 2414.33 2562.50 4326.74 4346.29 4375.23 4388.09 4393.14 4441.10 4479.14 4505.65 4532.94 4535.36 4546.31 4557.68 4562.13 4576.37 4594.65 4626.03 4661.41 4750.97 4952.17 5204.81 0.377964 0.405665 0.406609 0.319399 -1799.878112 -1799.850411 -1799.849467 -1799.936677 254.559 103.870 183.550 0.000 0.000 0.000 0.889 2.981 44.025 0.889 2.981 35.609 252.781 97.908 103.916 1 0.593 1.986 6.954 2 0.593 1.986 6.620 3 0.595 1.980 5.044 4 0.597 1.973 4.428 5 0.598 1.969 4.178 6 0.598 1.967 4.098 7 0.601 1.958 3.728 8 0.602 1.954 3.594 9 0.604 1.948 3.435 10 0.608 1.936 3.171 11 0.610 1.930 3.061 12 0.611 1.926 2.987 13 0.614 1.917 2.856 14 0.614 1.916 2.838 15 0.619 1.901 2.657 16 0.627 1.874 2.388 17 0.630 1.864 2.308 18 0.631 1.862 2.290 19 0.639 1.836 2.108 20 0.647 1.812 1.965 21 0.650 1.803 1.918 22 0.652 1.795 1.876 23 0.656 1.783 1.820 24 0.665 1.755 1.699 25 0.671 1.737 1.628 26 0.677 1.719 1.564 27 0.691 1.677 1.427 28 0.709 1.625 1.283 29 0.715 1.610 1.247 30 0.725 1.582 1.181 31 0.730 1.567 1.148 32 0.742 1.533 1.079 33 0.753 1.505 1.024 34 0.775 1.446 0.922 35 0.788 1.412 0.870 36 0.799 1.386 0.831 37 0.803 1.375 0.816 38 0.853 1.255 0.663 39 0.872 1.212 0.617 40 0.888 1.177 0.581 41 0.897 1.158 0.562 42 0.923 1.102 0.510 43 0.959 1.029 0.448 0.867394e+27 26.938216 62.027535 0.186990e+12 11.271818 25.954321 0.100000e+01 0.000000 0.000000 0.343306e+09 8.535682 19.654133 0.135119e+08 7.130716 16.419081 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 7.8608 5.3811 0.7224 9.5536 -196.3160 -161.2714 -179.5400 -7.6931 -2.4017 -6.4980 -17.2736 17.7711 -0.4975 -7.6931 -2.4017 -6.4980 78.1291 72.5248 -13.1124 51.5242 47.3888 -3.7526 31.5226 1.4426 -10.3508 10.4263 -6425.5508 -4342.5557 -1989.1580 63.4566 -10.3617 -135.4895 -56.6216 36.3590 -22.2866 -1685.0792 -1402.1683 -1077.8909 -95.6274 -16.5482 7.1921 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1800.2560759 2.0E-9 3.251E-6 0.3779641 0.4056648 -1799.8504111 -1799.8494669 -1799.9366772 -10.6573891,-1.9428086,12.6001978,-5.0125819,-3.9143807,-7.1099271 C01 [X(C16H20N6O6S1)] -2.8740387 -1.1248767 -2.1452511 2.3861411 -0.0779579 0.3353086 0.0617 2.0570174 0.373743 0.4470679 0.548583 2.6307136 -0.8711831 -0.3278214 -0.2942438 -0.3591181 -0.899183 -0.3622969 -0.1382606 -0.1984817 -0.6705714 -0.6576049 -0.0688716 0.1251962 -0.0435075 -0.6549162 0.2121861 -0.0863208 0.058023 -1.1062755 -1.1852612 0.015373 -0.3293719 -0.2009637 -0.5019245 0.1376185 -0.0890303 0.1714571 -0.7691425 -0.9712969 -0.4139087 0.2723257 -0.347275 -0.6991654 0.1747568 0.2116598 0.2604485 -0.6991737 -0.7999074 -0.1083721 -0.6717263 -0.2066628 -0.3789117 -0.1354681 -0.7739764 -0.043844 -1.5637277 -0.4205041 -0.0402739 -0.1962246 -0.0133586 -0.4360662 0.4148999 -0.1891788 0.2869076 -1.6864228 -0.7257043 -0.1167485 -0.1402417 -0.0132041 -0.7702619 -0.3949246 -0.0724025 -0.5351135 -1.0093695 -0.5836784 0.0398412 -0.1770894 0.0345973 -0.4872934 0.2921434 -0.2430147 0.4666422 -1.0534455 -1.1321505 0.1321969 -0.2096175 0.0407403 -0.622355 0.0460667 -0.460485 0.1653078 -1.1745707 -1.5542494 -0.5409798 -0.0700832 -0.597106 -0.8275283 0.0345982 -0.2531279 -0.0726753 -0.3485018 -1.0597542 -0.4736071 -0.2378782 -0.6202748 -0.6809908 -0.0578557 -0.3827602 -0.1083795 -0.6584818 -0.7576388 -0.3359855 0.0313875 -0.6017013 -0.7610734 0.2511857 0.1390841 0.3282885 -0.780423 0.1952049 0.3732144 0.4817038 0.2087728 0.4937482 0.4039793 0.1376809 0.1490501 0.3371374 -0.1094002 -0.0698293 0.0610339 -0.132129 -0.2428238 0.0852378 0.0048479 0.0140622 -0.2209719 1.1629 -0.0439115 0.4654239 0.2123113 0.7543397 -0.698872 0.3120557 -0.6845531 1.3141729 -0.1695892 -0.1086607 -0.1268066 -0.0370246 -0.2093802 -0.0797278 0.0684233 0.0293439 0.0136175 -0.0127621 0.1231591 -0.0727356 0.0466022 -0.0436015 -0.0353761 0.0187927 0.0385446 0.0400226 -0.0275996 0.1213502 0.011759 0.0961327 0.0083087 0.0206021 -0.0082111 -0.0139533 0.1065563 -0.0746678 0.0732712 0.0638641 0.0672399 -0.0651901 0.0694519 0.0482892 0.0446351 -0.1470691 0.1935398 0.1782897 -0.2044057 0.136783 0.3366186 -0.1087715 -0.1070302 -0.1015347 0.3844331 0.4169448 -0.1409634 0.2055728 -0.0814462 0.1472286 0.1569013 0.1726362 0.047695 0.2713334 1.8461071 0.705098 -0.1446521 0.4129137 0.8054898 -0.3419848 0.6267512 -0.2682364 1.3711894 1.2518923 0.6561313 0.1045878 0.9878558 1.0230989 -0.0801396 -0.044774 -0.1945885 0.7550953 1.0698312 0.3722317 0.7141411 0.5876615 0.6234066 0.0829422 0.8070371 0.026752 1.6799642 0.6795724 0.2201178 0.2467282 0.3743029 0.6805842 -0.4996988 0.1452284 -0.4384263 1.8190353 -0.3842788 0.0428333 -0.2979747 0.0107353 -0.1691717 0.058447 -0.2975614 0.0761428 -1.0604129 0.3283698 0.0028432 0.0625994 -0.1127121 0.3017859 -0.2493573 0.2585895 -0.0727494 0.8521385 0.3291916 0.0171668 0.2393314 0.0399449 0.2586684 0.155802 0.1338685 -0.0107266 0.783992 0.3337929 -0.0082269 -0.1302 0.0161132 0.1224782 -0.0765531 -0.0362375 -0.0595108 0.3692091 0.1195106 -0.0344637 0.0085202 -0.042549 0.1238917 0.0086338 -0.0010005 0.0193145 0.0139003 0.0869839 -0.0346955 -0.0167839 -0.0135707 0.109668 0.0068338 -0.0016512 -0.0058631 -0.065827 0.0670206 -0.0927591 0.0394416 -0.0766752 0.0456835 0.0324178 0.033708 0.0529484 0.0271932 0.0568756 -0.1098454 -0.0321416 -0.0815295 0.034954 -0.032133 -0.0359356 -0.0440838 0.0298486 0.5519987 0.1662375 0.0012988 0.2930076 0.2438086 0.1233776 -0.06101 0.0788529 0.1895354 0.0564733 -0.0158566 -0.0883197 -0.0352262 0.0458123 0.0051715 -0.0157423 0.0495707 -0.1407468 -0.0379602 -0.0003664 0.0627374 0.0497868 0.0420466 0.0003518 -0.0284875 0.0093013 0.09515 0.0456771 0.0120717 0.0528258 -0.0304689 -0.1199926 0.0395093 0.0097048 -0.0744715 -0.0003928 -0.0159683 0.0359958 -0.0570718 0.1152332 -0.1241416 0.0180172 -0.0304754 -0.0394351 0.0676152 -0.0058302 0.0160003 -0.0389755 -0.002986 0.0462733 -0.1020606 -0.0860241 -0.0312291 -0.1349844 0.0053774 -0.0345971 0.0243301 -0.0635988 0.0392361 0.0411303 0.0388699 0.0309828 0.0018524 0.1182235 -0.0518721 -0.0164832 -0.0793201 0.0680742 0.0258159 -0.0173986 0.0178266 0.096787 -0.007597 -0.0539587 -0.1044528 -0.0820082 0.0407202 -0.0637327 -0.0732486 -0.0178436 -0.0228518 -0.0728455 0.0195852 0.1079501 0.0640036 0.0437175 0.0590055 -0.0022964 0.0135975 -0.0348248 0.0698278 0.0286815 0.0234777 0.0890018 -0.0776175 0.0717234 -0.0054627 -0.0488442 -0.0221793 -0.0117969 0.0188835 -0.0379843 0.024588 0.0625373 -0.0694262 0.0417918 -0.0041797 -0.0146314 0.069265 -0.0367137 0.0270935 -0.0352815 0.0146664 0.1116739 -0.004176 0.0570804 -0.0592871 0.0305356 0.0568466 -0.0445015 0.0358452 -0.0606389 -0.1094245 -0.0372528 0.0140746 0.0051516 0.1779722 -0.0861732 -0.028673 -0.0961753 0.258365 -0.0164205 -0.0735541 0.0132904 0.188641 259.3591793|51.6622442|237.4528566|17.2494736|-17.0215359|296.995499 -0.000013496 -0.000002479 -0.000003411 0.000006421 0.000001471 -0.000000300 0.000002933 -0.000003841 0.000002587 -0.000000245 -0.000004432 0.000001433 0.000002350 -0.000008013 -0.000004075 -0.000003291 0.000002674 -0.000000344 0.000002160 -0.000003706 0.000004926 -0.000001979 0.000002554 -0.000001081 -0.000001415 0.000005554 -0.000001852 0.000003747 -0.000002080 0.000001829 0.000000621 0.000003355 -0.000001113 -0.000001931 0.000005683 0.000000332 0.000004693 0.000001706 -0.000006322 0.000000502 -0.000001650 -0.000002054 -0.000001683 -0.000001007 0.000001417 0.000006608 0.000000803 0.000003634 0.000001640 -0.000000208 0.000001673 -0.000001045 0.000000759 -0.000001257 -0.000003405 -0.000000352 0.000003190 -0.000000286 -0.000000866 -0.000000071 0.000000192 -0.000003790 0.000000464 0.000001535 -0.000001044 -0.000000799 -0.000007952 0.000012905 0.000001940 0.000009746 -0.000008907 -0.000003958 -0.000002999 0.000000238 -0.000000092 -0.000010805 0.000008977 0.000001591 0.000003335 -0.000003932 -0.000002715 0.000001300 -0.000001943 -0.000003069 -0.000001201 -0.000003255 0.000003441 0.000000528 -0.000000697 0.000002195 0.000000134 0.000002502 0.000001410 -0.000000515 0.000000210 -0.000000295 -0.000000751 -0.000000766 -0.000000114 -0.000001261 -0.000000048 0.000000041 0.000003801 0.000001053 -0.000003761 0.000000813 -0.000000409 -0.000000649 0.000000909 -0.000000616 0.000000765 0.000001146 -0.000000188 0.000000114 -0.000000033 -0.000000513 0.000001850 0.000000289 -0.000000998 0.000000099 0.000000785 0.000000735 0.000002172 -0.000000100 0.000000988 -0.000000636 0.000000355 0.000000593 -0.000001252 0.000000542 0.000001434 0.000000174 -0.000000436 0.000001316 -0.000000341 -0.000003442 -0.000000926 0.000003048 0.000000002 0.000000529 0.000000774 -0.000000519 0.000001239 0.000000552 0.000001703 -0.000000615 -0.000002088 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0435,.9931,2.2275;2.9658,2.0887,2.4026;1.5921,.1732,3.3429;3.788,.2957,-1.4697;1.2908,2.5152,-.3681;-4.0592,-1.1545,-1.8592;-2.5305,-1.5418,2.5413;2.6938,.0061,1.0423;2.1179,.6624,-2.9578;.5521,1.5364,1.5857;-.8485,1.7425,-.2795;-2.4659,.3167,-1.0724;-1.7223,.1385,1.1848;1.8775,-.9269,.3511;1.7868,-.8924,-1.0581;2.6302,.0814,-1.8347;1.1531,-1.8839,1.0689;1.0064,-1.8578,-1.7039;.3429,-2.7984,.4065;.2754,-2.7973,-.9852;3.0032,1.5546,-3.7055;.6985,.8585,-3.2294;.4223,1.9731,.2803;-1.7197,.684,-.0302;-3.2772,-.7246,-.8616;-2.5194,-.9235,1.3596;-3.3437,-1.4097,.3505;-3.9964,-.4634,-3.1188;-1.72,-1.0044,3.6091;3.3505,.5082,.4425;1.2454,-1.9054,2.1458;.9797,-1.8709,-2.7869;-.2185,-3.5265,.9803;-.3307,-3.5285,-1.5064;-.2391,.9753,1.9245;2.6595,1.6022,-4.7409;4.0219,1.176,-3.6732;2.9906,2.561,-3.2728;.469,1.9287,-3.1785;.4481,.4988,-4.2326;.0771,.3382,-2.5077;-3.9926,-2.2591,.4965;-4.7112,-.9781,-3.7574;-2.9925,-.5235,-3.5434;-4.2753,.5851,-3.0005;-.6621,-1.0085,3.3471;-1.9025,-1.6629,4.4551;-2.0314,.0137,3.85;-.9162,2.1039,-1.2206; Gaussian 16 23-Mar-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C16H20N6O6S)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0435,.9931,2.2275;2.9658,2.0887,2.4026;1.5921,.1732,3.3429;3.788,.2957,-1.4697;1.2908,2.5152,-.3681;-4.0592,-1.1545,-1.8592;-2.5305,-1.5418,2.5413;2.6938,.0061,1.0423;2.1179,.6624,-2.9578;.5521,1.5364,1.5857;-.8485,1.7425,-.2795;-2.4659,.3167,-1.0724;-1.7223,.1385,1.1848;1.8775,-.9269,.3511;1.7868,-.8924,-1.0581;2.6302,.0814,-1.8347;1.1531,-1.8839,1.0689;1.0064,-1.8578,-1.7039;.3429,-2.7984,.4065;.2754,-2.7973,-.9852;3.0032,1.5546,-3.7055;.6985,.8585,-3.2294;.4223,1.9731,.2803;-1.7197,.684,-.0302;-3.2772,-.7246,-.8616;-2.5194,-.9234,1.3596;-3.3437,-1.4097,.3505;-3.9964,-.4634,-3.1188;-1.72,-1.0044,3.6091;3.3505,.5082,.4425;1.2454,-1.9054,2.1458;.9797,-1.8709,-2.7869;-.2185,-3.5265,.9803;-.3307,-3.5285,-1.5064;-.2391,.9753,1.9245;2.6595,1.6022,-4.7409;4.0219,1.176,-3.6732;2.9906,2.561,-3.2728;.469,1.9287,-3.1785;.4481,.4988,-4.2326;.0771,.3382,-2.5077;-3.9926,-2.2591,.4965;-4.7112,-.9781,-3.7574;-2.9925,-.5235,-3.5434;-4.2753,.5851,-3.0005;-.6621,-1.0086,3.3471;-1.9025,-1.6629,4.4551;-2.0314,.0137,3.85;-.9162,2.1039,-1.2206; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sul #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction orthosulfamuron CONF437 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 32 16 16 16 16 16 16 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 795 A 766 A 766 1218 795 111 111 3372.4095469918 49 49 49 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 -0.0719932470 0.000000 1.442788 0.000000 1.456036 2.537789 0.000000 4.147207 4.345762 5.291342 0.000000 3.101695 3.265636 4.398521 3.517916 0.000000 7.652207 8.833585 7.794942 7.989536 6.656783 0.000000 5.238855 6.588577 4.536449 7.706336 6.286982 4.674508 0.000000 1.673886 2.502324 2.556245 2.755263 3.202107 7.441017 5.651209 0.000000 5.196413 5.611355 6.341508 2.266717 3.289934 6.531827 7.530361 4.094337 0.000000 1.712126 2.607365 2.455145 4.620123 2.306664 6.353940 4.459989 2.687770 4.884542 0.000000 3.900104 4.675800 4.641255 5.000716 2.276317 4.603982 4.644674 4.160638 4.140011 2.341636 0.000000 5.628650 6.687261 5.998530 6.266533 4.409370 2.306949 4.064071 5.584912 4.968488 4.202571 2.297313 0.000000 3.999880 5.221602 3.955213 6.118407 4.139955 4.049548 2.305774 4.420436 5.673048 2.699648 2.341109 2.383194 0.000000 2.689851 3.806208 3.200453 2.908591 3.565078 6.338884 4.960417 1.419395 3.678650 3.057646 3.867193 4.736895 3.845695 0.000000 3.796950 4.717410 4.532398 2.363435 3.511999 5.906399 5.658299 2.458047 2.477079 3.796509 3.807119 4.421250 4.290411 1.412545 0.000000 4.204432 4.700720 5.281438 1.232716 3.141438 6.802634 6.958203 2.878712 1.364358 4.258467 4.156889 5.158187 5.297678 2.522040 1.504204 0.000000 3.226812 4.565740 3.097660 4.258807 4.629865 6.022737 3.981697 2.438510 4.860920 3.510961 4.356101 4.746008 3.517339 1.398477 2.430774 3.804541 0.000000 4.965806 6.023065 5.471554 3.525570 4.581302 5.116486 5.534489 3.723315 3.026433 4.748497 4.293227 4.145330 4.446983 2.418296 1.399260 2.532624 2.776745 0.000000 4.536918 5.894709 4.360432 4.996175 5.452752 5.216673 3.793783 3.714290 5.142565 4.497215 4.744469 4.447454 3.673739 2.420820 2.804003 4.306651 1.389791 2.403828 0.000000 5.274014 6.526004 5.412046 4.705290 5.443754 4.717033 4.678156 4.221223 4.388116 5.046507 4.729801 4.149536 4.161574 2.801930 2.432733 3.814891 2.413317 1.390497 1.393330 0.000000 6.036326 6.131542 7.319789 2.683153 3.872159 7.786210 8.901205 5.003544 1.462411 5.831339 5.158342 6.194903 6.946306 4.886778 3.804711 2.410260 6.167664 4.431452 6.552339 5.811995 0.000000 5.621833 6.194626 6.668048 3.599709 3.358948 5.344668 7.034817 4.791179 1.458383 4.864738 3.446236 3.867803 5.085686 4.171024 2.994050 2.506099 5.118809 3.130523 5.168996 4.310450 2.454113 0.000000 2.716665 3.314687 3.739947 4.147784 1.211885 5.868808 5.117153 3.099938 3.883099 1.382537 1.407674 3.593762 2.963634 3.245422 3.444468 3.595385 4.003982 4.353575 4.773761 4.937542 4.766874 3.692772 0.000000 4.399412 5.463183 4.754644 5.705971 3.539913 3.492616 3.496277 4.592323 4.826920 2.915318 1.393461 1.333361 1.331841 3.959902 3.979636 4.747793 4.006885 4.085779 4.070874 4.124519 6.047486 4.014147 2.519215 0.000000 6.387731 7.585855 6.495660 7.164345 5.621983 1.338482 3.578402 6.309677 5.951929 5.075944 3.510563 1.336738 2.711161 5.299327 5.070590 6.041039 4.969748 4.510293 4.360484 4.114851 7.261264 4.890726 4.718858 2.258545 0.000000 5.024577 6.344167 4.694689 7.019580 5.415433 3.575631 1.333723 5.304928 6.531457 3.941627 3.547689 2.730455 1.339254 4.511116 4.938597 6.142615 3.807138 4.763311 3.551999 4.101245 7.892720 5.881274 4.267101 2.270427 2.355340 0.000000 6.190243 7.500710 5.985178 7.555326 6.115570 2.336575 2.340611 6.239807 6.713283 5.038179 4.069344 2.403209 2.392075 5.243543 5.345471 6.533473 4.578500 4.831635 3.939924 4.099674 8.094525 5.856625 5.062700 2.676890 1.393872 1.390818 0.000000 8.196671 9.245127 8.566794 7.993318 6.662856 1.438096 5.945433 7.892717 6.219249 6.842568 4.778802 2.671854 4.904575 6.838006 6.154357 6.771880 6.787642 5.382802 6.058827 5.314810 7.308326 4.878791 6.084037 4.004906 2.383357 4.738077 3.654741 0.000000 4.479151 5.742815 3.525271 7.604149 6.104971 5.949516 1.444307 5.204949 7.786704 3.963944 4.840110 4.921178 2.680189 4.854223 5.838984 7.052559 3.934652 6.032390 4.210864 5.320179 9.075286 7.488991 4.953339 4.011874 4.742407 2.388682 3.663275 7.123158 0.000000 2.264926 2.547186 3.408334 1.973064 2.987886 7.935061 6.572160 1.021350 3.620063 3.192969 4.435840 6.013470 5.140159 2.058512 2.580431 2.426190 3.307967 3.962239 4.469893 4.735048 4.291986 4.542913 3.278196 5.095248 6.866341 6.111151 6.964144 8.222158 6.166494 0.000000 3.007457 4.356401 2.423566 4.937763 5.085586 6.688967 3.813900 2.639919 5.779430 3.555344 4.855312 5.391472 3.729390 2.139640 3.403602 4.659312 1.081113 3.857401 2.153442 3.397054 7.021309 6.068840 4.381759 4.497976 5.558122 3.969372 4.952690 7.567835 3.427371 3.627387 0.000000 5.871895 6.823084 6.490619 3.783616 5.018546 5.173401 6.389004 4.596138 2.782555 5.559900 4.763046 4.426895 5.207070 3.397666 2.144184 2.728061 3.859702 1.083448 3.385745 2.144825 4.083161 2.779328 4.949239 4.627546 4.810646 5.507743 5.361728 5.182026 6.996354 4.659358 4.940006 0.000000 5.205654 6.610056 4.748441 6.055023 6.371664 5.332901 3.423590 4.578667 6.205991 5.156898 5.454063 4.902475 3.966817 3.398057 3.887744 5.390325 2.141791 3.389633 1.083789 2.153818 7.625793 6.147394 5.580825 4.582901 4.538622 3.494853 3.826859 6.360660 3.940382 5.413418 2.475756 4.285835 0.000000 6.326515 7.596125 6.396574 5.620484 6.360193 4.434134 5.016971 5.304482 5.066202 5.999549 5.436696 4.419607 4.756752 3.885230 3.410849 4.680399 3.396898 2.149005 2.155485 1.083389 6.464406 4.824313 5.833278 4.674829 4.118219 4.448723 4.125035 5.043031 5.871181 5.800386 4.296260 2.470723 2.489276 0.000000 2.302684 3.426327 2.451222 5.310339 3.157136 5.783206 3.459347 3.212415 5.430470 1.027452 2.411968 3.791257 1.856708 3.251823 4.060621 4.812832 3.293233 4.768926 4.109011 4.792034 6.522612 5.239742 2.033734 2.469387 4.458928 3.020630 4.219559 6.451510 2.991740 3.911474 3.248257 5.637714 4.599819 5.662544 0.000000 7.022091 7.166619 8.278250 3.698807 4.672107 7.813106 9.478993 5.999567 2.087102 6.668649 5.677142 6.432777 7.513810 5.739017 4.532955 3.280247 6.940860 4.891629 7.157316 6.256582 1.092002 2.585201 5.509578 6.497073 7.463771 8.391458 8.428097 7.155421 9.782527 5.342451 7.856837 4.324652 8.204791 6.762240 7.295344 0.000000 6.226285 6.234113 7.492379 2.384357 4.491808 8.603818 9.430821 5.036778 2.097782 6.310715 5.963151 7.042327 7.594290 5.021517 4.014077 2.552507 6.330895 4.709094 6.780443 6.086775 1.087218 3.367866 5.405833 6.817644 8.049506 8.516207 8.782289 8.202986 9.526622 4.223243 7.145988 4.395942 7.858081 6.765569 7.037786 1.782601 0.000000 5.797303 5.695073 7.171086 3.003074 3.365800 8.093336 9.006572 5.023536 2.113114 5.531739 4.936402 6.296968 6.924600 5.151379 4.275481 2.889039 6.479418 5.091557 7.019224 6.427762 1.095596 2.855472 4.423376 6.018687 7.476224 7.997506 8.307688 7.615059 9.069849 4.259892 7.235684 4.890959 8.089738 7.157730 6.321101 1.784435 1.772607 0.000000 5.707829 6.116252 6.846250 4.074608 2.986267 5.634752 7.331870 5.144083 2.090741 4.780967 3.189703 3.955688 5.200447 4.753539 3.767094 3.144737 5.748331 4.098832 5.934001 5.213652 2.615379 1.095689 3.459385 4.031284 5.142119 6.136689 6.175321 5.066101 7.711401 4.840684 6.606862 3.853711 6.893946 5.763341 5.239275 2.710419 3.665337 2.601402 0.000000 6.672513 7.272704 7.668255 4.339265 4.439636 5.355557 7.676004 5.754166 2.107133 5.910946 4.342202 4.302494 5.847114 5.008540 3.715425 3.268874 5.854838 3.501323 5.692337 4.630214 2.814403 1.094750 4.747662 4.732221 5.170902 6.488561 6.246975 4.681947 8.273600 5.502695 6.862889 2.826299 6.619741 4.925192 6.213559 2.523140 3.680120 3.411432 1.776549 0.000000 5.168973 5.959900 6.045825 3.853611 3.284885 4.444902 5.985481 4.422737 2.114922 4.291509 2.791688 2.920134 4.112467 3.607622 2.557136 2.652849 4.345973 2.516401 4.289667 3.491214 3.387708 1.085247 3.250376 3.079948 3.884625 4.825922 4.788126 4.196358 6.515187 4.409964 5.296603 2.402736 5.214354 4.015050 4.488867 3.640609 4.197876 3.743607 1.770026 1.771615 0.000000 7.071637 8.423578 6.723596 8.422050 7.173314 2.602690 2.614068 7.080776 7.603061 6.020578 5.147908 3.380392 3.372924 6.021168 6.138916 7.400960 5.191038 5.476563 4.369856 4.549799 9.007918 6.753436 6.119609 3.755704 2.170507 2.167808 1.078853 4.036709 4.053073 7.847415 5.502910 5.971229 4.010530 4.362642 5.156527 9.305456 9.665367 9.284718 7.137836 7.049146 5.686278 0.000000 9.237519 10.309633 9.564086 8.893418 7.727560 2.014859 6.689342 8.879255 7.068806 7.910401 5.866683 3.731932 5.882702 7.764938 7.036890 7.662648 7.648813 6.138582 6.796765 5.988383 8.119688 5.737368 7.166982 5.060018 3.241389 5.567000 4.351009 1.087963 7.950744 9.210830 8.437406 5.841742 7.008969 5.546245 7.489980 7.871019 8.995253 8.489841 5.968122 5.387558 5.120748 4.500423 0.000000 7.807978 8.813609 8.302063 7.137633 6.136988 2.091073 6.186568 7.324153 5.278772 6.566169 4.514866 2.662505 4.940388 6.248722 5.399439 5.907630 6.348980 4.599467 5.648127 4.732133 6.347643 3.953729 5.702102 3.926873 2.704361 4.941996 4.008858 1.091729 7.280721 7.562039 7.227469 4.262178 6.097299 4.501618 6.302769 6.156098 7.218477 6.736749 4.257641 3.654815 3.352179 4.509295 1.790700 0.000000 8.211335 9.159072 8.650682 8.212397 6.452647 2.091777 6.187037 8.077644 6.393825 6.726227 4.526169 2.657744 4.922809 7.167734 6.534868 7.021312 7.219629 5.961944 6.662045 6.017460 7.376542 4.986587 5.895563 3.919623 2.699323 4.936554 4.009480 1.091338 7.262438 8.367344 7.947636 5.804519 7.014947 5.891814 6.379546 7.221844 8.345355 7.534656 4.934034 4.882214 4.387093 4.516488 1.790612 1.780200 0.000000 3.546846 4.862768 2.545119 6.686252 5.480263 6.218325 2.103526 4.195647 7.090326 3.324759 4.555868 4.954004 2.667489 3.928438 5.041505 6.235240 3.041639 5.386800 3.586230 4.779928 8.351242 6.970484 4.412611 3.922963 4.963166 2.721604 4.041327 7.295430 1.089940 5.180541 2.426074 6.408251 3.484069 5.478811 2.477639 9.124986 8.717638 8.361011 7.244984 7.807451 6.053029 4.558786 8.177512 7.290092 7.475804 0.000000 5.252344 6.479770 4.101234 8.445197 7.135599 6.691830 2.017902 5.963103 8.747713 4.949203 5.926609 5.898261 3.737962 5.627931 6.678370 7.946675 4.566449 6.814182 4.766878 5.968889 10.050553 8.495559 6.004468 5.065495 5.571164 3.241843 4.357711 7.949061 1.087495 6.957631 3.911646 7.797294 4.287614 6.441411 4.016381 10.772184 10.451217 10.074902 8.763257 9.256039 7.510266 4.516066 8.706581 8.152473 8.140649 1.787309 0.000000 4.494015 5.601114 3.662237 7.889487 5.923381 6.170237 2.093254 5.496422 7.998992 3.757713 4.630433 4.950803 2.685939 5.329837 6.284068 7.351928 4.634307 6.601236 5.040179 6.049998 9.209063 7.634382 4.754162 3.949963 4.929134 2.705270 3.999400 7.256239 1.091567 6.389078 4.162283 7.527779 4.904614 6.643165 2.800837 9.916227 9.725848 9.079785 7.701813 8.468240 6.706056 4.500920 8.126404 7.474926 7.231258 1.781303 1.787129 0.000000 4.677970 5.310197 5.553791 5.045914 2.401430 4.572058 5.481714 4.749131 3.781780 3.217631 1.010344 2.370208 3.209176 4.411500 4.038659 4.128570 5.042458 4.430031 5.316515 5.049463 4.673159 2.862466 2.015305 2.019659 3.701868 4.288683 4.550470 4.436470 5.799476 4.849428 5.663905 4.674125 6.085433 5.670031 3.409342 5.042827 5.591182 4.436582 2.404709 3.675580 2.400193 5.607959 5.507854 4.075469 4.093718 5.533201 6.882988 5.596739 0.000000 C16H20N6O6S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1251,-2.2189,-.481;-3.3443,-2.3474,-1.2417;-1.446,-3.3701,.0966;-3.5454,1.4164,.9215;-1.8718,.4611,-2.0217;4.3642,1.8213,-.1308;3.01,-2.6109,.4797;-2.4285,-1.0944,.7213;-2.0656,2.9409,.1315;-.8746,-1.5322,-1.4276;.4014,.3574,-1.961;2.3872,1.0937,-1.071;1.7247,-1.1783,-.79;-1.3582,-.4432,1.3883;-1.2754,.9668,1.4021;-2.3767,1.7832,.7829;-.3749,-1.2014,2.0318;-.2293,1.5704,2.1087;.6837,-.5782,2.6817;.7548,.8124,2.7335;-3.1813,3.7237,-.3987;-.777,3.2389,-.4829;-.8808,-.2045,-1.8129;1.5582,.0634,-1.242;3.4819,.8384,-.3477;2.8125,-1.3989,-.0407;3.7527,-.4069,.217;4.0954,3.1143,-.6999;2.0667,-3.6587,.166;-3.206,-.4769,.4818;-.4615,-2.279,2.0238;-.1942,2.6516,2.1704;1.4414,-1.1826,3.1667;1.5616,1.3018,3.2658;.0505,-1.8906,-1.1603;-2.8643,4.7641,-.4962;-4.031,3.6599,.2765;-3.4858,3.3442,-1.3803;-.8933,3.2465,-1.5724;-.4216,4.2248,-.1665;-.0279,2.4984,-.2217;4.6336,-.5894,.8125;4.9384,3.7336,-.4008;3.1625,3.5235,-.3071;4.0323,3.0542,-1.7878;1.0643,-3.4096,.514;2.4413,-4.5357,.6887;2.0434,-3.8426,-.9097;.3577,1.3167,-2.275; 0.2093456 0.1624216 0.1213377 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= 766 RedAO= T EigKep= 1.51D-06 NBF= 766 NBsUse= 764 1.00D-06 EigRej= 7.46D-07 NBFU= 764 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= 787 787 787 787 787 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1800.25607590230 -1800.25607590245 -0.000000000153 -1800.25607590 2 1.794349499098e+03 -1.096533400756e+04 3.998390878812e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245441061 LenY= 4244808241 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. PT2372S 2022-03-23T03:14:54.000 -89.10143 -19.19228 -19.19080 -19.13532 -19.13525 -19.12375 -19.10213 -14.38190 -14.36874 -14.36242 -14.36137 -14.34376 -14.34007 -10.34015 -10.32130 -10.30901 -10.30778 -10.29046 -10.24831 -10.24726 -10.23949 -10.22244 -10.21251 -10.20536 -10.20444 -10.20077 -10.19851 -10.19738 -10.19600 -8.15998 -6.12324 -6.12206 -6.12181 -1.15307 -1.11959 -1.11419 -1.09321 -1.05725 -1.03684 -1.03509 -0.96704 -0.95914 -0.95149 -0.93517 -0.91895 -0.87672 -0.82225 -0.79044 -0.77163 -0.76478 -0.73898 -0.72798 -0.71911 -0.71359 -0.69170 -0.65894 -0.65076 -0.64252 -0.61303 -0.59575 -0.59080 -0.58114 -0.57183 -0.55162 -0.54516 -0.53492 -0.53280 -0.52241 -0.51980 -0.51012 -0.50008 -0.49880 -0.49654 -0.49287 -0.48677 -0.48112 -0.47288 -0.46698 -0.46290 -0.45646 -0.45505 -0.44591 -0.44145 -0.42849 -0.42441 -0.42247 -0.41645 -0.40127 -0.39756 -0.39411 -0.38939 -0.38644 -0.38468 -0.38304 -0.37996 -0.37066 -0.36026 -0.35579 -0.34761 -0.33534 -0.33491 -0.32199 -0.31230 -0.30844 -0.30411 -0.30145 -0.28875 -0.27408 -0.26257 -0.26009 -0.25448 -0.06098 -0.05169 -0.04370 -0.03954 -0.02082 -0.00516 -0.00460 0.00331 0.00449 0.01189 0.01419 0.01819 0.02119 0.02400 0.03008 0.03655 0.03799 0.04146 0.04355 0.04416 0.04780 0.05334 0.05596 0.05882 0.06307 0.06631 0.06779 0.07314 0.07469 0.07783 0.08185 0.08501 0.08685 0.08707 0.09207 0.09606 0.09710 0.09951 0.10173 0.10477 0.10696 0.11075 0.11525 0.11632 0.12200 0.12531 0.12729 0.13145 0.13233 0.13571 0.13737 0.13795 0.13909 0.14204 0.14280 0.14582 0.14895 0.15308 0.15474 0.16038 0.16208 0.16378 0.16538 0.16916 0.17131 0.17322 0.17612 0.17706 0.18416 0.18475 0.18812 0.19188 0.19553 0.19595 0.19836 0.20034 0.20401 0.20533 0.20795 0.21095 0.21208 0.21557 0.22013 0.22247 0.22393 0.22687 0.22872 0.23071 0.23418 0.23732 0.24048 0.24146 0.24274 0.24580 0.24803 0.25096 0.25410 0.25645 0.25855 0.26112 0.26358 0.26878 0.26977 0.27045 0.27577 0.27717 0.27971 0.28198 0.28324 0.28531 0.28869 0.28965 0.29119 0.29406 0.30085 0.30267 0.30627 0.30803 0.31021 0.31279 0.31645 0.31738 0.31993 0.32401 0.32528 0.32763 0.32796 0.33086 0.33574 0.34036 0.34266 0.34450 0.34939 0.35181 0.35505 0.35886 0.35969 0.36557 0.36994 0.37133 0.37685 0.37803 0.38490 0.38785 0.38944 0.39196 0.39572 0.40257 0.40556 0.40776 0.40993 0.41084 0.41652 0.41832 0.42125 0.42433 0.42960 0.43360 0.43599 0.44025 0.44226 0.44954 0.45749 0.46406 0.46558 0.47259 0.47500 0.48137 0.48882 0.49160 0.50237 0.51111 0.51390 0.52015 0.52118 0.53086 0.53618 0.54456 0.55010 0.55321 0.55922 0.56217 0.56786 0.57112 0.57270 0.58317 0.58601 0.58958 0.59707 0.60184 0.60549 0.61306 0.61582 0.62671 0.62998 0.63692 0.63805 0.64553 0.65005 0.65718 0.66529 0.66907 0.67258 0.67850 0.68467 0.69027 0.69305 0.69438 0.70080 0.70305 0.70654 0.70741 0.71595 0.71897 0.72723 0.73001 0.73383 0.73725 0.74005 0.74210 0.75093 0.75344 0.75727 0.76502 0.76708 0.77284 0.77820 0.78404 0.78721 0.79207 0.79624 0.80419 0.81122 0.82091 0.83197 0.83701 0.83809 0.84679 0.85661 0.86077 0.86870 0.87004 0.88348 0.88940 0.89477 0.90325 0.91000 0.91572 0.92231 0.92642 0.93073 0.93987 0.94128 0.94453 0.96216 0.96438 0.97284 0.97688 0.98345 0.99122 0.99856 1.00403 1.00648 1.01485 1.02201 1.02611 1.03265 1.03518 1.04177 1.05030 1.05531 1.05842 1.06708 1.07005 1.07604 1.07896 1.09064 1.09946 1.10479 1.11729 1.12274 1.12503 1.12879 1.13799 1.15216 1.15811 1.16284 1.17005 1.17699 1.18293 1.19287 1.19401 1.19919 1.20633 1.20896 1.21540 1.22253 1.22787 1.23558 1.23832 1.24266 1.24879 1.25253 1.25600 1.26401 1.28748 1.29721 1.29872 1.30307 1.31359 1.31568 1.32739 1.33488 1.34576 1.35135 1.35353 1.35484 1.36672 1.37212 1.38502 1.39348 1.40353 1.41488 1.42073 1.43346 1.45104 1.45883 1.46885 1.47353 1.49360 1.50007 1.50386 1.50764 1.51487 1.51857 1.52294 1.53175 1.53814 1.54506 1.55203 1.55750 1.56791 1.57982 1.58148 1.58375 1.58882 1.59144 1.59733 1.60256 1.61582 1.62089 1.62431 1.62866 1.63587 1.64079 1.64772 1.65233 1.65936 1.66891 1.67701 1.68237 1.68612 1.69278 1.69666 1.70321 1.71161 1.71386 1.72459 1.72730 1.73667 1.75086 1.75506 1.75942 1.76806 1.77310 1.77496 1.77948 1.79351 1.79890 1.80179 1.80603 1.82173 1.82468 1.83025 1.83533 1.86146 1.86887 1.88174 1.89334 1.89612 1.90641 1.91032 1.91188 1.91570 1.92220 1.93277 1.94209 1.94898 1.96034 1.97072 1.97493 1.98288 1.98743 1.99820 2.00130 2.01051 2.01545 2.02155 2.02750 2.03222 2.05524 2.06003 2.06605 2.08195 2.09421 2.09655 2.10053 2.11545 2.11687 2.12155 2.13388 2.14988 2.16072 2.16807 2.17582 2.18280 2.20585 2.21803 2.24151 2.25181 2.25451 2.27875 2.28653 2.31579 2.32087 2.35830 2.36693 2.38006 2.39579 2.40349 2.41556 2.42554 2.43724 2.44898 2.45045 2.46035 2.46612 2.48235 2.48610 2.48791 2.49320 2.50351 2.51396 2.51707 2.52238 2.52970 2.53165 2.53945 2.55152 2.55451 2.56555 2.57444 2.57915 2.58427 2.59010 2.59226 2.61768 2.64252 2.65426 2.65998 2.66551 2.67239 2.67575 2.68263 2.68898 2.70679 2.72146 2.72950 2.74367 2.74612 2.75842 2.76545 2.77293 2.77554 2.77884 2.79278 2.79814 2.81294 2.81378 2.82040 2.82416 2.82655 2.83755 2.84391 2.84855 2.85447 2.86075 2.87020 2.87652 2.87963 2.88508 2.89191 2.89722 2.90296 2.92112 2.92996 2.93863 2.95286 2.96220 2.96827 2.97615 2.98729 2.98758 3.00704 3.00879 3.01373 3.02471 3.03664 3.04006 3.04669 3.05641 3.06610 3.06810 3.07877 3.10152 3.10408 3.11803 3.13758 3.14212 3.14820 3.16323 3.19005 3.19575 3.21478 3.22264 3.24054 3.27194 3.28091 3.33977 3.36404 3.36480 3.38428 3.38564 3.40312 3.41472 3.42642 3.45928 3.46705 3.49289 3.49376 3.51871 3.52858 3.54901 3.56483 3.58570 3.59307 3.61530 3.62101 3.66710 3.67766 3.72208 3.73992 3.75602 3.76939 3.77166 3.78277 3.79848 3.80187 3.81427 3.83696 3.88259 3.89066 3.94617 3.95712 3.97677 3.99606 4.00703 4.01824 4.03117 4.04584 4.06368 4.06847 4.07441 4.08455 4.10504 4.17415 4.17883 4.28174 4.29366 4.34682 4.41586 4.43420 4.60229 4.67885 4.74495 4.83190 4.84788 4.89123 4.97156 4.99734 5.02213 5.04315 5.04981 5.06138 5.07285 5.12715 5.14101 5.16831 5.17903 5.20933 5.26370 5.27261 5.28772 5.34675 5.37591 5.40701 5.76255 5.81984 5.83002 5.85209 8.19973 17.35202 17.43240 17.55651 23.64396 23.73602 23.85396 23.86847 23.89075 23.89834 23.91481 23.92284 23.93349 23.95987 23.97596 24.01136 24.04874 24.08073 24.08761 24.17570 35.53637 35.55398 35.58316 35.60390 35.68112 35.71189 49.87903 49.92773 49.93890 49.96772 50.03184 50.04035 189.31217 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 S O O O O O O N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.508815 0.001468 -0.205154 -0.252332 -0.178062 -0.119250 -0.118262 -0.371640 0.086009 -0.330314 -0.101597 -0.105545 -0.111892 0.024173 1.270546 -0.937317 -0.514001 -0.495138 -0.266978 -0.198347 -0.219396 -0.485733 0.083520 -0.056800 0.130241 0.313106 -0.554521 -0.212562 -0.227749 0.339898 0.172844 0.138578 0.134908 0.127556 0.349640 0.135304 0.174199 0.175473 0.153735 0.158982 0.163257 0.141674 0.165398 0.159093 0.164985 0.186643 0.165642 0.167509 0.269395 -0.00000 7.8608 5.3811 0.7224 9.5536 -196.3160 -161.2713 -179.5400 -7.6931 -2.4017 -6.4980 -17.2736 17.7711 -0.4975 -7.6931 -2.4017 -6.4980 78.1291 72.5248 -13.1124 51.5242 47.3888 -3.7526 31.5226 1.4426 -10.3508 10.4263 -6425.5508 -4342.5557 -1989.1580 63.4566 -10.3617 -135.4895 -56.6216 36.3590 -22.2866 -1685.0792 -1402.1682 -1077.8909 -95.6274 -16.5482 7.1921 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ21 APULGAR 2022-03-23T00:00:00.000 0 Wavefunction orthosulfamuron CONF437 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1800.2560759 RMSD=5.273e-10 Dipole=-2.8740387,-1.1248768,-2.1452512 Quadrupole=-10.6573892,-1.9428087,12.6001979,-5.0125818,-3.9143807,-7.1099271 PG=C01 [X(C16H20N6O6S1)] 0 2.0434907503 0.9931144939 2.2275497723 0 2.9658338795 2.0886816292 2.4026316807 0 1.5920628676 0.1732146836 3.3429054118 0 3.7879932842 0.2957125137 -1.4697014551 0 1.2908089116 2.5152148013 -0.3680606864 0 -4.0591539063 -1.1545483453 -1.8592020056 0 -2.5304796029 -1.5418366155 2.5412738988 0 2.6938242266 0.0060731936 1.0423455288 0 2.1179354095 0.6624333721 -2.9577963704 0 0.5521300303 1.5364485728 1.5856715438 0 -0.8485268281 1.7425422604 -0.2795217169 0 -2.4658965566 0.3166600845 -1.0723801344 0 -1.7223301556 0.1385028764 1.1848272191 0 1.8775399551 -0.9269322145 0.3510698368 0 1.7867954848 -0.8924133701 -1.0581341653 0 2.6302220183 0.08136315 -1.8346790228 0 1.1531255075 -1.8838676478 1.0688686953 0 1.0063942009 -1.8577754653 -1.7038737376 0 0.3429284511 -2.7983668285 0.4064555441 0 0.2753669417 -2.7972643977 -0.9852353943 0 3.0032140955 1.5545576551 -3.7054881307 0 0.6985416979 0.8585185177 -3.2293727712 0 0.4222876225 1.9730681843 0.2803315141 0 -1.7197407663 0.6839822285 -0.0301814061 0 -3.2772037272 -0.7245967891 -0.861590053 0 -2.5193879903 -0.9234503969 1.3596254708 0 -3.3437319245 -1.409698636 0.3504699415 0 -3.9964422473 -0.4634113257 -3.1187721219 0 -1.7200302043 -1.0043673772 3.6091325373 0 3.3504892191 0.5081758542 0.44247847 0 1.2454040665 -1.9053638462 2.1458217875 0 0.9797189458 -1.8709193538 -2.7869140276 0 -0.2184520695 -3.5264873645 0.9802948734 0 -0.3307049888 -3.5285275981 -1.5064477599 0 -0.2390911021 0.9753396168 1.9244696972 0 2.6595206706 1.6022404655 -4.7408955962 0 4.0218994587 1.1760306126 -3.6732186653 0 2.9905709523 2.5609988834 -3.2727682055 0 0.4689524522 1.9286731624 -3.1784537627 0 0.4481373894 0.4987887463 -4.2325527965 0 0.0770530008 0.3382369344 -2.5076941248 0 -3.9925967053 -2.2591498822 0.4965183991 0 -4.7112222521 -0.9780514058 -3.7574408375 0 -2.9924648469 -0.5234518561 -3.5433863661 0 -4.2752785682 0.585056404 -3.0005150037 0 -0.6620552112 -1.0085496684 3.3471369311 0 -1.9024836791 -1.6628646515 4.4551448263 0 -2.0313880772 0.0137459651 3.8500074816 0 -0.9162065931 2.1039431473 -1.2205874684 Gaussian 16 23-Mar-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C16H20N6O6S)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0435,.9931,2.2275;2.9658,2.0887,2.4026;1.5921,.1732,3.3429;3.788,.2957,-1.4697;1.2908,2.5152,-.3681;-4.0592,-1.1545,-1.8592;-2.5305,-1.5418,2.5413;2.6938,.0061,1.0423;2.1179,.6624,-2.9578;.5521,1.5364,1.5857;-.8485,1.7425,-.2795;-2.4659,.3167,-1.0724;-1.7223,.1385,1.1848;1.8775,-.9269,.3511;1.7868,-.8924,-1.0581;2.6302,.0814,-1.8347;1.1531,-1.8839,1.0689;1.0064,-1.8578,-1.7039;.3429,-2.7984,.4065;.2754,-2.7973,-.9852;3.0032,1.5546,-3.7055;.6985,.8585,-3.2294;.4223,1.9731,.2803;-1.7197,.684,-.0302;-3.2772,-.7246,-.8616;-2.5194,-.9234,1.3596;-3.3437,-1.4097,.3505;-3.9964,-.4634,-3.1188;-1.72,-1.0044,3.6091;3.3505,.5082,.4425;1.2454,-1.9054,2.1458;.9797,-1.8709,-2.7869;-.2185,-3.5265,.9803;-.3307,-3.5285,-1.5064;-.2391,.9753,1.9245;2.6595,1.6022,-4.7409;4.0219,1.176,-3.6732;2.9906,2.561,-3.2728;.469,1.9287,-3.1785;.4481,.4988,-4.2326;.0771,.3382,-2.5077;-3.9926,-2.2591,.4965;-4.7112,-.9781,-3.7574;-2.9925,-.5235,-3.5434;-4.2753,.5851,-3.0005;-.6621,-1.0086,3.3471;-1.9025,-1.6629,4.4551;-2.0314,.0137,3.85;-.9162,2.1039,-1.2206; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sul #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum orthosulfamuron CONF437 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 32 16 16 16 16 16 16 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 795 A 766 A 766 1218 795 111 111 3372.4095469918 49 49 49 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 -0.0719932470 0.000000 1.442788 0.000000 1.456036 2.537789 0.000000 4.147207 4.345762 5.291342 0.000000 3.101695 3.265636 4.398521 3.517916 0.000000 7.652207 8.833585 7.794942 7.989536 6.656783 0.000000 5.238855 6.588577 4.536449 7.706336 6.286982 4.674508 0.000000 1.673886 2.502324 2.556245 2.755263 3.202107 7.441017 5.651209 0.000000 5.196413 5.611355 6.341508 2.266717 3.289934 6.531827 7.530361 4.094337 0.000000 1.712126 2.607365 2.455145 4.620123 2.306664 6.353940 4.459989 2.687770 4.884542 0.000000 3.900104 4.675800 4.641255 5.000716 2.276317 4.603982 4.644674 4.160638 4.140011 2.341636 0.000000 5.628650 6.687261 5.998530 6.266533 4.409370 2.306949 4.064071 5.584912 4.968488 4.202571 2.297313 0.000000 3.999880 5.221602 3.955213 6.118407 4.139955 4.049548 2.305774 4.420436 5.673048 2.699648 2.341109 2.383194 0.000000 2.689851 3.806208 3.200453 2.908591 3.565078 6.338884 4.960417 1.419395 3.678650 3.057646 3.867193 4.736895 3.845695 0.000000 3.796950 4.717410 4.532398 2.363435 3.511999 5.906399 5.658299 2.458047 2.477079 3.796509 3.807119 4.421250 4.290411 1.412545 0.000000 4.204432 4.700720 5.281438 1.232716 3.141438 6.802634 6.958203 2.878712 1.364358 4.258467 4.156889 5.158187 5.297678 2.522040 1.504204 0.000000 3.226812 4.565740 3.097660 4.258807 4.629865 6.022737 3.981697 2.438510 4.860920 3.510961 4.356101 4.746008 3.517339 1.398477 2.430774 3.804541 0.000000 4.965806 6.023065 5.471554 3.525570 4.581302 5.116486 5.534489 3.723315 3.026433 4.748497 4.293227 4.145330 4.446983 2.418296 1.399260 2.532624 2.776745 0.000000 4.536918 5.894709 4.360432 4.996175 5.452752 5.216673 3.793783 3.714290 5.142565 4.497215 4.744469 4.447454 3.673739 2.420820 2.804003 4.306651 1.389791 2.403828 0.000000 5.274014 6.526004 5.412046 4.705290 5.443754 4.717033 4.678156 4.221223 4.388116 5.046507 4.729801 4.149536 4.161574 2.801930 2.432733 3.814891 2.413317 1.390497 1.393330 0.000000 6.036326 6.131542 7.319789 2.683153 3.872159 7.786210 8.901205 5.003544 1.462411 5.831339 5.158342 6.194903 6.946306 4.886778 3.804711 2.410260 6.167664 4.431452 6.552339 5.811995 0.000000 5.621833 6.194626 6.668048 3.599709 3.358948 5.344668 7.034817 4.791179 1.458383 4.864738 3.446236 3.867803 5.085686 4.171024 2.994050 2.506099 5.118809 3.130523 5.168996 4.310450 2.454113 0.000000 2.716665 3.314687 3.739947 4.147784 1.211885 5.868808 5.117153 3.099938 3.883099 1.382537 1.407674 3.593762 2.963634 3.245422 3.444468 3.595385 4.003982 4.353575 4.773761 4.937542 4.766874 3.692772 0.000000 4.399412 5.463183 4.754644 5.705971 3.539913 3.492616 3.496277 4.592323 4.826920 2.915318 1.393461 1.333361 1.331841 3.959902 3.979636 4.747793 4.006885 4.085779 4.070874 4.124519 6.047486 4.014147 2.519215 0.000000 6.387731 7.585855 6.495660 7.164345 5.621983 1.338482 3.578402 6.309677 5.951929 5.075944 3.510563 1.336738 2.711161 5.299327 5.070590 6.041039 4.969748 4.510293 4.360484 4.114851 7.261264 4.890726 4.718858 2.258545 0.000000 5.024577 6.344167 4.694689 7.019580 5.415433 3.575631 1.333723 5.304928 6.531457 3.941627 3.547689 2.730455 1.339254 4.511116 4.938597 6.142615 3.807138 4.763311 3.551999 4.101245 7.892720 5.881274 4.267101 2.270427 2.355340 0.000000 6.190243 7.500710 5.985178 7.555326 6.115570 2.336575 2.340611 6.239807 6.713283 5.038179 4.069344 2.403209 2.392075 5.243543 5.345471 6.533473 4.578500 4.831635 3.939924 4.099674 8.094525 5.856625 5.062700 2.676890 1.393872 1.390818 0.000000 8.196671 9.245127 8.566794 7.993318 6.662856 1.438096 5.945433 7.892717 6.219249 6.842568 4.778802 2.671854 4.904575 6.838006 6.154357 6.771880 6.787642 5.382802 6.058827 5.314810 7.308326 4.878791 6.084037 4.004906 2.383357 4.738077 3.654741 0.000000 4.479151 5.742815 3.525271 7.604149 6.104971 5.949516 1.444307 5.204949 7.786704 3.963944 4.840110 4.921178 2.680189 4.854223 5.838984 7.052559 3.934652 6.032390 4.210864 5.320179 9.075286 7.488991 4.953339 4.011874 4.742407 2.388682 3.663275 7.123158 0.000000 2.264926 2.547186 3.408334 1.973064 2.987886 7.935061 6.572160 1.021350 3.620063 3.192969 4.435840 6.013470 5.140159 2.058512 2.580431 2.426190 3.307967 3.962239 4.469893 4.735048 4.291986 4.542913 3.278196 5.095248 6.866341 6.111151 6.964144 8.222158 6.166494 0.000000 3.007457 4.356401 2.423566 4.937763 5.085586 6.688967 3.813900 2.639919 5.779430 3.555344 4.855312 5.391472 3.729390 2.139640 3.403602 4.659312 1.081113 3.857401 2.153442 3.397054 7.021309 6.068840 4.381759 4.497976 5.558122 3.969372 4.952690 7.567835 3.427371 3.627387 0.000000 5.871895 6.823084 6.490619 3.783616 5.018546 5.173401 6.389004 4.596138 2.782555 5.559900 4.763046 4.426895 5.207070 3.397666 2.144184 2.728061 3.859702 1.083448 3.385745 2.144825 4.083161 2.779328 4.949239 4.627546 4.810646 5.507743 5.361728 5.182026 6.996354 4.659358 4.940006 0.000000 5.205654 6.610056 4.748441 6.055023 6.371664 5.332901 3.423590 4.578667 6.205991 5.156898 5.454063 4.902475 3.966817 3.398057 3.887744 5.390325 2.141791 3.389633 1.083789 2.153818 7.625793 6.147394 5.580825 4.582901 4.538622 3.494853 3.826859 6.360660 3.940382 5.413418 2.475756 4.285835 0.000000 6.326515 7.596125 6.396574 5.620484 6.360193 4.434134 5.016971 5.304482 5.066202 5.999549 5.436696 4.419607 4.756752 3.885230 3.410849 4.680399 3.396898 2.149005 2.155485 1.083389 6.464406 4.824313 5.833278 4.674829 4.118219 4.448723 4.125035 5.043031 5.871181 5.800386 4.296260 2.470723 2.489276 0.000000 2.302684 3.426327 2.451222 5.310339 3.157136 5.783206 3.459347 3.212415 5.430470 1.027452 2.411968 3.791257 1.856708 3.251823 4.060621 4.812832 3.293233 4.768926 4.109011 4.792034 6.522612 5.239742 2.033734 2.469387 4.458928 3.020630 4.219559 6.451510 2.991740 3.911474 3.248257 5.637714 4.599819 5.662544 0.000000 7.022091 7.166619 8.278250 3.698807 4.672107 7.813106 9.478993 5.999567 2.087102 6.668649 5.677142 6.432777 7.513810 5.739017 4.532955 3.280247 6.940860 4.891629 7.157316 6.256582 1.092002 2.585201 5.509578 6.497073 7.463771 8.391458 8.428097 7.155421 9.782527 5.342451 7.856837 4.324652 8.204791 6.762240 7.295344 0.000000 6.226285 6.234113 7.492379 2.384357 4.491808 8.603818 9.430821 5.036778 2.097782 6.310715 5.963151 7.042327 7.594290 5.021517 4.014077 2.552507 6.330895 4.709094 6.780443 6.086775 1.087218 3.367866 5.405833 6.817644 8.049506 8.516207 8.782289 8.202986 9.526622 4.223243 7.145988 4.395942 7.858081 6.765569 7.037786 1.782601 0.000000 5.797303 5.695073 7.171086 3.003074 3.365800 8.093336 9.006572 5.023536 2.113114 5.531739 4.936402 6.296968 6.924600 5.151379 4.275481 2.889039 6.479418 5.091557 7.019224 6.427762 1.095596 2.855472 4.423376 6.018687 7.476224 7.997506 8.307688 7.615059 9.069849 4.259892 7.235684 4.890959 8.089738 7.157730 6.321101 1.784435 1.772607 0.000000 5.707829 6.116252 6.846250 4.074608 2.986267 5.634752 7.331870 5.144083 2.090741 4.780967 3.189703 3.955688 5.200447 4.753539 3.767094 3.144737 5.748331 4.098832 5.934001 5.213652 2.615379 1.095689 3.459385 4.031284 5.142119 6.136689 6.175321 5.066101 7.711401 4.840684 6.606862 3.853711 6.893946 5.763341 5.239275 2.710419 3.665337 2.601402 0.000000 6.672513 7.272704 7.668255 4.339265 4.439636 5.355557 7.676004 5.754166 2.107133 5.910946 4.342202 4.302494 5.847114 5.008540 3.715425 3.268874 5.854838 3.501323 5.692337 4.630214 2.814403 1.094750 4.747662 4.732221 5.170902 6.488561 6.246975 4.681947 8.273600 5.502695 6.862889 2.826299 6.619741 4.925192 6.213559 2.523140 3.680120 3.411432 1.776549 0.000000 5.168973 5.959900 6.045825 3.853611 3.284885 4.444902 5.985481 4.422737 2.114922 4.291509 2.791688 2.920134 4.112467 3.607622 2.557136 2.652849 4.345973 2.516401 4.289667 3.491214 3.387708 1.085247 3.250376 3.079948 3.884625 4.825922 4.788126 4.196358 6.515187 4.409964 5.296603 2.402736 5.214354 4.015050 4.488867 3.640609 4.197876 3.743607 1.770026 1.771615 0.000000 7.071637 8.423578 6.723596 8.422050 7.173314 2.602690 2.614068 7.080776 7.603061 6.020578 5.147908 3.380392 3.372924 6.021168 6.138916 7.400960 5.191038 5.476563 4.369856 4.549799 9.007918 6.753436 6.119609 3.755704 2.170507 2.167808 1.078853 4.036709 4.053073 7.847415 5.502910 5.971229 4.010530 4.362642 5.156527 9.305456 9.665367 9.284718 7.137836 7.049146 5.686278 0.000000 9.237519 10.309633 9.564086 8.893418 7.727560 2.014859 6.689342 8.879255 7.068806 7.910401 5.866683 3.731932 5.882702 7.764938 7.036890 7.662648 7.648813 6.138582 6.796765 5.988383 8.119688 5.737368 7.166982 5.060018 3.241389 5.567000 4.351009 1.087963 7.950744 9.210830 8.437406 5.841742 7.008969 5.546245 7.489980 7.871019 8.995253 8.489841 5.968122 5.387558 5.120748 4.500423 0.000000 7.807978 8.813609 8.302063 7.137633 6.136988 2.091073 6.186568 7.324153 5.278772 6.566169 4.514866 2.662505 4.940388 6.248722 5.399439 5.907630 6.348980 4.599467 5.648127 4.732133 6.347643 3.953729 5.702102 3.926873 2.704361 4.941996 4.008858 1.091729 7.280721 7.562039 7.227469 4.262178 6.097299 4.501618 6.302769 6.156098 7.218477 6.736749 4.257641 3.654815 3.352179 4.509295 1.790700 0.000000 8.211335 9.159072 8.650682 8.212397 6.452647 2.091777 6.187037 8.077644 6.393825 6.726227 4.526169 2.657744 4.922809 7.167734 6.534868 7.021312 7.219629 5.961944 6.662045 6.017460 7.376542 4.986587 5.895563 3.919623 2.699323 4.936554 4.009480 1.091338 7.262438 8.367344 7.947636 5.804519 7.014947 5.891814 6.379546 7.221844 8.345355 7.534656 4.934034 4.882214 4.387093 4.516488 1.790612 1.780200 0.000000 3.546846 4.862768 2.545119 6.686252 5.480263 6.218325 2.103526 4.195647 7.090326 3.324759 4.555868 4.954004 2.667489 3.928438 5.041505 6.235240 3.041639 5.386800 3.586230 4.779928 8.351242 6.970484 4.412611 3.922963 4.963166 2.721604 4.041327 7.295430 1.089940 5.180541 2.426074 6.408251 3.484069 5.478811 2.477639 9.124986 8.717638 8.361011 7.244984 7.807451 6.053029 4.558786 8.177512 7.290092 7.475804 0.000000 5.252344 6.479770 4.101234 8.445197 7.135599 6.691830 2.017902 5.963103 8.747713 4.949203 5.926609 5.898261 3.737962 5.627931 6.678370 7.946675 4.566449 6.814182 4.766878 5.968889 10.050553 8.495559 6.004468 5.065495 5.571164 3.241843 4.357711 7.949061 1.087495 6.957631 3.911646 7.797294 4.287614 6.441411 4.016381 10.772184 10.451217 10.074902 8.763257 9.256039 7.510266 4.516066 8.706581 8.152473 8.140649 1.787309 0.000000 4.494015 5.601114 3.662237 7.889487 5.923381 6.170237 2.093254 5.496422 7.998992 3.757713 4.630433 4.950803 2.685939 5.329837 6.284068 7.351928 4.634307 6.601236 5.040179 6.049998 9.209063 7.634382 4.754162 3.949963 4.929134 2.705270 3.999400 7.256239 1.091567 6.389078 4.162283 7.527779 4.904614 6.643165 2.800837 9.916227 9.725848 9.079785 7.701813 8.468240 6.706056 4.500920 8.126404 7.474926 7.231258 1.781303 1.787129 0.000000 4.677970 5.310197 5.553791 5.045914 2.401430 4.572058 5.481714 4.749131 3.781780 3.217631 1.010344 2.370208 3.209176 4.411500 4.038659 4.128570 5.042458 4.430031 5.316515 5.049463 4.673159 2.862466 2.015305 2.019659 3.701868 4.288683 4.550470 4.436470 5.799476 4.849428 5.663905 4.674125 6.085433 5.670031 3.409342 5.042827 5.591182 4.436582 2.404709 3.675580 2.400193 5.607959 5.507854 4.075469 4.093718 5.533201 6.882988 5.596739 0.000000 C16H20N6O6S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1251,-2.2189,-.481;-3.3443,-2.3474,-1.2417;-1.446,-3.3701,.0966;-3.5454,1.4164,.9215;-1.8718,.4611,-2.0217;4.3642,1.8213,-.1308;3.01,-2.6109,.4797;-2.4285,-1.0944,.7213;-2.0656,2.9409,.1315;-.8746,-1.5322,-1.4276;.4014,.3574,-1.961;2.3872,1.0937,-1.071;1.7247,-1.1783,-.79;-1.3582,-.4432,1.3883;-1.2754,.9668,1.4021;-2.3767,1.7832,.7829;-.3749,-1.2014,2.0318;-.2293,1.5704,2.1087;.6837,-.5782,2.6817;.7548,.8124,2.7335;-3.1813,3.7237,-.3987;-.777,3.2389,-.4829;-.8808,-.2045,-1.8129;1.5582,.0634,-1.242;3.4819,.8384,-.3477;2.8125,-1.3989,-.0407;3.7527,-.4069,.217;4.0954,3.1143,-.6999;2.0667,-3.6587,.166;-3.206,-.4769,.4818;-.4615,-2.279,2.0238;-.1942,2.6516,2.1704;1.4414,-1.1826,3.1667;1.5616,1.3018,3.2658;.0505,-1.8906,-1.1603;-2.8643,4.7641,-.4962;-4.031,3.6599,.2765;-3.4858,3.3442,-1.3803;-.8933,3.2465,-1.5724;-.4216,4.2248,-.1665;-.0279,2.4984,-.2217;4.6336,-.5894,.8125;4.9384,3.7336,-.4008;3.1625,3.5235,-.3071;4.0323,3.0542,-1.7878;1.0643,-3.4096,.514;2.4413,-4.5357,.6887;2.0434,-3.8426,-.9097;.3577,1.3167,-2.275; 0.2093456 0.1624216 0.1213377 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= 766 RedAO= T EigKep= 1.51D-06 NBF= 766 NBsUse= 764 1.00D-06 EigRej= 7.46D-07 NBFU= 764 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= 787 787 787 787 787 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1800.25607590230 -1800.25607590254 -0.000000000246 -1800.25607590 2 1.794349499098e+03 -1.096533400756e+04 3.998390878812e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245441061 LenY= 4244808241 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 4.4931 275.95 0.0380 0.000 107 112 0.18451 108 114 0.11360 110 112 -0.13514 111 112 0.62057 -1800.09095886 2 Singlet-A 4.6487 266.71 0.0174 0.000 107 112 -0.17084 108 112 0.34255 109 112 -0.16257 110 112 0.47794 111 112 0.19506 111 114 -0.14479 3 Singlet-A 4.8140 257.55 0.0109 0.000 108 112 0.15092 109 112 -0.24835 110 112 -0.24239 111 113 0.53947 111 114 -0.18777 4 Singlet-A 4.8597 255.13 0.0071 0.000 109 112 0.54921 110 112 0.25028 111 113 0.34141 5 Singlet-A 4.9271 251.64 0.0340 0.000 108 112 0.42496 109 112 0.28590 110 112 -0.30923 111 113 -0.23018 111 114 -0.24636 6 Singlet-A 5.0870 243.73 0.0251 0.000 107 112 -0.27585 108 112 0.18264 109 113 -0.20399 110 112 -0.14418 111 112 0.13333 111 113 0.15141 111 114 0.49623 7 Singlet-A 5.0998 243.11 0.0111 0.000 109 113 -0.10350 110 113 0.63611 110 114 -0.23649 8 Singlet-A 5.2038 238.25 0.0027 0.000 109 113 -0.14061 109 115 0.12601 110 113 0.23357 110 114 0.61455 9 Singlet-A 5.2066 238.13 0.0500 0.000 108 113 0.11282 109 113 0.45726 109 114 -0.23882 109 115 -0.15593 110 115 -0.16073 111 114 0.13707 111 115 0.31457 10 Singlet-A 5.2408 236.58 0.0067 0.000 104 113 0.12598 108 113 -0.12734 109 114 0.28013 109 115 0.23577 110 115 0.23823 111 115 0.48974 PT82164.400S 2022-03-23T04:12:02.000 -89.10143 -19.19228 -19.19080 -19.13532 -19.13525 -19.12375 -19.10213 -14.38190 -14.36874 -14.36242 -14.36137 -14.34376 -14.34007 -10.34015 -10.32130 -10.30901 -10.30778 -10.29046 -10.24831 -10.24726 -10.23949 -10.22244 -10.21251 -10.20536 -10.20444 -10.20077 -10.19851 -10.19738 -10.19600 -8.15998 -6.12324 -6.12206 -6.12181 -1.15307 -1.11959 -1.11419 -1.09321 -1.05725 -1.03684 -1.03509 -0.96704 -0.95914 -0.95149 -0.93517 -0.91895 -0.87672 -0.82225 -0.79044 -0.77163 -0.76478 -0.73898 -0.72798 -0.71911 -0.71359 -0.69170 -0.65894 -0.65076 -0.64252 -0.61303 -0.59575 -0.59080 -0.58114 -0.57183 -0.55162 -0.54516 -0.53492 -0.53280 -0.52241 -0.51980 -0.51012 -0.50008 -0.49880 -0.49654 -0.49287 -0.48677 -0.48112 -0.47288 -0.46698 -0.46290 -0.45646 -0.45505 -0.44591 -0.44145 -0.42849 -0.42441 -0.42247 -0.41645 -0.40127 -0.39756 -0.39411 -0.38939 -0.38644 -0.38468 -0.38304 -0.37996 -0.37066 -0.36026 -0.35579 -0.34761 -0.33534 -0.33491 -0.32199 -0.31230 -0.30844 -0.30411 -0.30145 -0.28875 -0.27408 -0.26257 -0.26009 -0.25448 -0.06098 -0.05169 -0.04370 -0.03954 -0.02082 -0.00516 -0.00460 0.00331 0.00449 0.01189 0.01419 0.01819 0.02119 0.02400 0.03008 0.03655 0.03799 0.04146 0.04355 0.04416 0.04780 0.05334 0.05596 0.05882 0.06307 0.06631 0.06779 0.07314 0.07469 0.07783 0.08185 0.08501 0.08685 0.08707 0.09207 0.09606 0.09710 0.09951 0.10173 0.10477 0.10696 0.11075 0.11525 0.11632 0.12200 0.12531 0.12729 0.13145 0.13233 0.13571 0.13737 0.13795 0.13909 0.14204 0.14280 0.14582 0.14895 0.15308 0.15474 0.16038 0.16208 0.16378 0.16538 0.16916 0.17131 0.17322 0.17612 0.17706 0.18416 0.18475 0.18812 0.19188 0.19553 0.19595 0.19836 0.20034 0.20401 0.20533 0.20795 0.21095 0.21208 0.21557 0.22013 0.22247 0.22393 0.22687 0.22872 0.23071 0.23418 0.23732 0.24048 0.24146 0.24274 0.24580 0.24803 0.25096 0.25410 0.25645 0.25855 0.26112 0.26358 0.26878 0.26977 0.27045 0.27577 0.27717 0.27971 0.28198 0.28324 0.28531 0.28869 0.28965 0.29119 0.29406 0.30085 0.30267 0.30627 0.30803 0.31021 0.31279 0.31645 0.31738 0.31993 0.32401 0.32528 0.32763 0.32796 0.33086 0.33574 0.34036 0.34266 0.34450 0.34939 0.35181 0.35505 0.35886 0.35969 0.36557 0.36994 0.37133 0.37685 0.37803 0.38490 0.38785 0.38944 0.39196 0.39572 0.40257 0.40556 0.40776 0.40993 0.41084 0.41652 0.41832 0.42125 0.42433 0.42960 0.43360 0.43599 0.44025 0.44226 0.44954 0.45749 0.46406 0.46558 0.47259 0.47500 0.48137 0.48882 0.49160 0.50237 0.51111 0.51390 0.52015 0.52118 0.53086 0.53618 0.54456 0.55010 0.55321 0.55922 0.56217 0.56786 0.57112 0.57270 0.58317 0.58601 0.58958 0.59707 0.60184 0.60549 0.61306 0.61582 0.62671 0.62998 0.63692 0.63805 0.64553 0.65005 0.65718 0.66529 0.66907 0.67258 0.67850 0.68467 0.69027 0.69305 0.69438 0.70080 0.70305 0.70654 0.70741 0.71595 0.71897 0.72723 0.73001 0.73383 0.73725 0.74005 0.74210 0.75093 0.75344 0.75727 0.76502 0.76708 0.77284 0.77820 0.78404 0.78721 0.79207 0.79624 0.80419 0.81122 0.82091 0.83197 0.83701 0.83809 0.84679 0.85661 0.86077 0.86870 0.87004 0.88348 0.88940 0.89477 0.90325 0.91000 0.91572 0.92231 0.92642 0.93073 0.93987 0.94128 0.94453 0.96216 0.96438 0.97284 0.97688 0.98345 0.99122 0.99856 1.00403 1.00648 1.01485 1.02201 1.02611 1.03265 1.03518 1.04177 1.05030 1.05531 1.05842 1.06708 1.07005 1.07604 1.07896 1.09064 1.09946 1.10479 1.11729 1.12274 1.12503 1.12879 1.13799 1.15216 1.15811 1.16284 1.17005 1.17699 1.18293 1.19287 1.19401 1.19919 1.20633 1.20896 1.21540 1.22253 1.22787 1.23558 1.23832 1.24266 1.24879 1.25253 1.25600 1.26401 1.28748 1.29721 1.29872 1.30307 1.31359 1.31568 1.32739 1.33488 1.34576 1.35135 1.35353 1.35484 1.36672 1.37212 1.38502 1.39348 1.40353 1.41488 1.42073 1.43346 1.45104 1.45883 1.46885 1.47353 1.49360 1.50007 1.50386 1.50764 1.51487 1.51857 1.52294 1.53175 1.53814 1.54506 1.55203 1.55750 1.56791 1.57982 1.58148 1.58375 1.58882 1.59144 1.59733 1.60256 1.61582 1.62089 1.62431 1.62866 1.63587 1.64079 1.64772 1.65233 1.65936 1.66891 1.67701 1.68237 1.68612 1.69278 1.69666 1.70321 1.71161 1.71386 1.72459 1.72730 1.73667 1.75086 1.75506 1.75942 1.76806 1.77310 1.77496 1.77948 1.79351 1.79890 1.80179 1.80603 1.82173 1.82468 1.83025 1.83533 1.86146 1.86887 1.88174 1.89334 1.89612 1.90641 1.91032 1.91188 1.91570 1.92220 1.93277 1.94209 1.94898 1.96034 1.97072 1.97493 1.98288 1.98743 1.99820 2.00130 2.01051 2.01545 2.02155 2.02750 2.03222 2.05524 2.06003 2.06605 2.08195 2.09421 2.09655 2.10053 2.11545 2.11687 2.12155 2.13388 2.14988 2.16072 2.16807 2.17582 2.18280 2.20585 2.21803 2.24151 2.25181 2.25451 2.27875 2.28653 2.31579 2.32087 2.35830 2.36693 2.38006 2.39579 2.40349 2.41556 2.42554 2.43724 2.44898 2.45045 2.46035 2.46612 2.48235 2.48610 2.48791 2.49320 2.50351 2.51396 2.51707 2.52238 2.52970 2.53165 2.53945 2.55152 2.55451 2.56555 2.57444 2.57915 2.58427 2.59010 2.59226 2.61768 2.64252 2.65426 2.65998 2.66551 2.67239 2.67575 2.68263 2.68898 2.70679 2.72146 2.72950 2.74367 2.74612 2.75842 2.76545 2.77293 2.77554 2.77884 2.79278 2.79814 2.81294 2.81378 2.82040 2.82416 2.82655 2.83755 2.84391 2.84855 2.85447 2.86075 2.87020 2.87652 2.87963 2.88508 2.89191 2.89722 2.90296 2.92112 2.92996 2.93863 2.95286 2.96220 2.96827 2.97615 2.98729 2.98758 3.00704 3.00879 3.01373 3.02471 3.03664 3.04006 3.04669 3.05641 3.06610 3.06810 3.07877 3.10152 3.10408 3.11803 3.13758 3.14212 3.14820 3.16323 3.19005 3.19575 3.21478 3.22264 3.24054 3.27194 3.28091 3.33977 3.36404 3.36480 3.38428 3.38564 3.40312 3.41472 3.42642 3.45928 3.46705 3.49289 3.49376 3.51871 3.52858 3.54901 3.56483 3.58570 3.59307 3.61530 3.62101 3.66710 3.67766 3.72208 3.73992 3.75602 3.76939 3.77166 3.78277 3.79848 3.80187 3.81427 3.83696 3.88259 3.89066 3.94617 3.95712 3.97677 3.99606 4.00703 4.01824 4.03117 4.04584 4.06368 4.06847 4.07441 4.08455 4.10504 4.17415 4.17883 4.28174 4.29366 4.34682 4.41586 4.43420 4.60229 4.67885 4.74495 4.83190 4.84788 4.89123 4.97156 4.99734 5.02213 5.04315 5.04981 5.06138 5.07285 5.12715 5.14101 5.16831 5.17903 5.20933 5.26370 5.27261 5.28772 5.34675 5.37591 5.40701 5.76255 5.81984 5.83002 5.85209 8.19973 17.35202 17.43240 17.55651 23.64396 23.73602 23.85396 23.86847 23.89075 23.89834 23.91481 23.92284 23.93349 23.95987 23.97596 24.01136 24.04874 24.08073 24.08761 24.17570 35.53637 35.55398 35.58316 35.60390 35.68112 35.71189 49.87903 49.92773 49.93890 49.96772 50.03184 50.04035 189.31217 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 S O O O O O O N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.508815 0.001468 -0.205154 -0.252332 -0.178062 -0.119250 -0.118262 -0.371640 0.086009 -0.330314 -0.101597 -0.105545 -0.111892 0.024173 1.270546 -0.937317 -0.514001 -0.495138 -0.266978 -0.198347 -0.219396 -0.485733 0.083520 -0.056800 0.130241 0.313106 -0.554521 -0.212562 -0.227749 0.339898 0.172844 0.138578 0.134908 0.127556 0.349640 0.135304 0.174199 0.175473 0.153735 0.158982 0.163257 0.141674 0.165398 0.159093 0.164985 0.186643 0.165642 0.167509 0.269395 -0.00000 7.8608 5.3811 0.7224 9.5536 -196.3160 -161.2713 -179.5400 -7.6931 -2.4017 -6.4980 -17.2736 17.7711 -0.4975 -7.6931 -2.4017 -6.4980 78.1291 72.5248 -13.1124 51.5242 47.3888 -3.7526 31.5226 1.4426 -10.3508 10.4263 -6425.5508 -4342.5557 -1989.1580 63.4566 -10.3617 -135.4895 -56.6216 36.3590 -22.2866 -1685.0792 -1402.1682 -1077.8909 -95.6274 -16.5482 7.1921 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ21 APULGAR 2022-03-23T00:00:00.000 0 Electronic spectrum orthosulfamuron CONF437 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1800.2560759 RMSD=5.283e-10 PG=C01 [X(C16H20N6O6S1)] 0 2.0434907503 0.9931144939 2.2275497723 0 2.9658338795 2.0886816292 2.4026316807 0 1.5920628676 0.1732146836 3.3429054118 0 3.7879932842 0.2957125137 -1.4697014551 0 1.2908089116 2.5152148013 -0.3680606864 0 -4.0591539063 -1.1545483453 -1.8592020056 0 -2.5304796029 -1.5418366155 2.5412738988 0 2.6938242266 0.0060731936 1.0423455288 0 2.1179354095 0.6624333721 -2.9577963704 0 0.5521300303 1.5364485728 1.5856715438 0 -0.8485268281 1.7425422604 -0.2795217169 0 -2.4658965566 0.3166600845 -1.0723801344 0 -1.7223301556 0.1385028764 1.1848272191 0 1.8775399551 -0.9269322145 0.3510698368 0 1.7867954848 -0.8924133701 -1.0581341653 0 2.6302220183 0.08136315 -1.8346790228 0 1.1531255075 -1.8838676478 1.0688686953 0 1.0063942009 -1.8577754653 -1.7038737376 0 0.3429284511 -2.7983668285 0.4064555441 0 0.2753669417 -2.7972643977 -0.9852353943 0 3.0032140955 1.5545576551 -3.7054881307 0 0.6985416979 0.8585185177 -3.2293727712 0 0.4222876225 1.9730681843 0.2803315141 0 -1.7197407663 0.6839822285 -0.0301814061 0 -3.2772037272 -0.7245967891 -0.861590053 0 -2.5193879903 -0.9234503969 1.3596254708 0 -3.3437319245 -1.409698636 0.3504699415 0 -3.9964422473 -0.4634113257 -3.1187721219 0 -1.7200302043 -1.0043673772 3.6091325373 0 3.3504892191 0.5081758542 0.44247847 0 1.2454040665 -1.9053638462 2.1458217875 0 0.9797189458 -1.8709193538 -2.7869140276 0 -0.2184520695 -3.5264873645 0.9802948734 0 -0.3307049888 -3.5285275981 -1.5064477599 0 -0.2390911021 0.9753396168 1.9244696972 0 2.6595206706 1.6022404655 -4.7408955962 0 4.0218994587 1.1760306126 -3.6732186653 0 2.9905709523 2.5609988834 -3.2727682055 0 0.4689524522 1.9286731624 -3.1784537627 0 0.4481373894 0.4987887463 -4.2325527965 0 0.0770530008 0.3382369344 -2.5076941248 0 -3.9925967053 -2.2591498822 0.4965183991 0 -4.7112222521 -0.9780514058 -3.7574408375 0 -2.9924648469 -0.5234518561 -3.5433863661 0 -4.2752785682 0.585056404 -3.0005150037 0 -0.6620552112 -1.0085496684 3.3471369311 0 -1.9024836791 -1.6628646515 4.4551448263 0 -2.0313880772 0.0137459651 3.8500074816 0 -0.9162065931 2.1039431473 -1.2205874684 Gaussian 16 23-Mar-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C16H20N6O6S)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0435,.9931,2.2275;2.9658,2.0887,2.4026;1.5921,.1732,3.3429;3.788,.2957,-1.4697;1.2908,2.5152,-.3681;-4.0592,-1.1545,-1.8592;-2.5305,-1.5418,2.5413;2.6938,.0061,1.0423;2.1179,.6624,-2.9578;.5521,1.5364,1.5857;-.8485,1.7425,-.2795;-2.4659,.3167,-1.0724;-1.7223,.1385,1.1848;1.8775,-.9269,.3511;1.7868,-.8924,-1.0581;2.6302,.0814,-1.8347;1.1531,-1.8839,1.0689;1.0064,-1.8578,-1.7039;.3429,-2.7984,.4065;.2754,-2.7973,-.9852;3.0032,1.5546,-3.7055;.6985,.8585,-3.2294;.4223,1.9731,.2803;-1.7197,.684,-.0302;-3.2772,-.7246,-.8616;-2.5194,-.9234,1.3596;-3.3437,-1.4097,.3505;-3.9964,-.4634,-3.1188;-1.72,-1.0044,3.6091;3.3505,.5082,.4425;1.2454,-1.9054,2.1458;.9797,-1.8709,-2.7869;-.2185,-3.5265,.9803;-.3307,-3.5285,-1.5064;-.2391,.9753,1.9245;2.6595,1.6022,-4.7409;4.0219,1.176,-3.6732;2.9906,2.561,-3.2728;.469,1.9287,-3.1785;.4481,.4988,-4.2326;.0771,.3382,-2.5077;-3.9926,-2.2591,.4965;-4.7112,-.9781,-3.7574;-2.9925,-.5235,-3.5434;-4.2753,.5851,-3.0005;-.6621,-1.0086,3.3471;-1.9025,-1.6629,4.4551;-2.0314,.0137,3.85;-.9162,2.1039,-1.2206; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sul #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point orthosulfamuron CONF437 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 32 16 16 16 16 16 16 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1493 A 1319 A 1319 1916 1493 111 111 3372.4095469918 49 49 49 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 -0.0719932470 0.000000 1.442788 0.000000 1.456036 2.537789 0.000000 4.147207 4.345762 5.291342 0.000000 3.101695 3.265636 4.398521 3.517916 0.000000 7.652207 8.833585 7.794942 7.989536 6.656783 0.000000 5.238855 6.588577 4.536449 7.706336 6.286982 4.674508 0.000000 1.673886 2.502324 2.556245 2.755263 3.202107 7.441017 5.651209 0.000000 5.196413 5.611355 6.341508 2.266717 3.289934 6.531827 7.530361 4.094337 0.000000 1.712126 2.607365 2.455145 4.620123 2.306664 6.353940 4.459989 2.687770 4.884542 0.000000 3.900104 4.675800 4.641255 5.000716 2.276317 4.603982 4.644674 4.160638 4.140011 2.341636 0.000000 5.628650 6.687261 5.998530 6.266533 4.409370 2.306949 4.064071 5.584912 4.968488 4.202571 2.297313 0.000000 3.999880 5.221602 3.955213 6.118407 4.139955 4.049548 2.305774 4.420436 5.673048 2.699648 2.341109 2.383194 0.000000 2.689851 3.806208 3.200453 2.908591 3.565078 6.338884 4.960417 1.419395 3.678650 3.057646 3.867193 4.736895 3.845695 0.000000 3.796950 4.717410 4.532398 2.363435 3.511999 5.906399 5.658299 2.458047 2.477079 3.796509 3.807119 4.421250 4.290411 1.412545 0.000000 4.204432 4.700720 5.281438 1.232716 3.141438 6.802634 6.958203 2.878712 1.364358 4.258467 4.156889 5.158187 5.297678 2.522040 1.504204 0.000000 3.226812 4.565740 3.097660 4.258807 4.629865 6.022737 3.981697 2.438510 4.860920 3.510961 4.356101 4.746008 3.517339 1.398477 2.430774 3.804541 0.000000 4.965806 6.023065 5.471554 3.525570 4.581302 5.116486 5.534489 3.723315 3.026433 4.748497 4.293227 4.145330 4.446983 2.418296 1.399260 2.532624 2.776745 0.000000 4.536918 5.894709 4.360432 4.996175 5.452752 5.216673 3.793783 3.714290 5.142565 4.497215 4.744469 4.447454 3.673739 2.420820 2.804003 4.306651 1.389791 2.403828 0.000000 5.274014 6.526004 5.412046 4.705290 5.443754 4.717033 4.678156 4.221223 4.388116 5.046507 4.729801 4.149536 4.161574 2.801930 2.432733 3.814891 2.413317 1.390497 1.393330 0.000000 6.036326 6.131542 7.319789 2.683153 3.872159 7.786210 8.901205 5.003544 1.462411 5.831339 5.158342 6.194903 6.946306 4.886778 3.804711 2.410260 6.167664 4.431452 6.552339 5.811995 0.000000 5.621833 6.194626 6.668048 3.599709 3.358948 5.344668 7.034817 4.791179 1.458383 4.864738 3.446236 3.867803 5.085686 4.171024 2.994050 2.506099 5.118809 3.130523 5.168996 4.310450 2.454113 0.000000 2.716665 3.314687 3.739947 4.147784 1.211885 5.868808 5.117153 3.099938 3.883099 1.382537 1.407674 3.593762 2.963634 3.245422 3.444468 3.595385 4.003982 4.353575 4.773761 4.937542 4.766874 3.692772 0.000000 4.399412 5.463183 4.754644 5.705971 3.539913 3.492616 3.496277 4.592323 4.826920 2.915318 1.393461 1.333361 1.331841 3.959902 3.979636 4.747793 4.006885 4.085779 4.070874 4.124519 6.047486 4.014147 2.519215 0.000000 6.387731 7.585855 6.495660 7.164345 5.621983 1.338482 3.578402 6.309677 5.951929 5.075944 3.510563 1.336738 2.711161 5.299327 5.070590 6.041039 4.969748 4.510293 4.360484 4.114851 7.261264 4.890726 4.718858 2.258545 0.000000 5.024577 6.344167 4.694689 7.019580 5.415433 3.575631 1.333723 5.304928 6.531457 3.941627 3.547689 2.730455 1.339254 4.511116 4.938597 6.142615 3.807138 4.763311 3.551999 4.101245 7.892720 5.881274 4.267101 2.270427 2.355340 0.000000 6.190243 7.500710 5.985178 7.555326 6.115570 2.336575 2.340611 6.239807 6.713283 5.038179 4.069344 2.403209 2.392075 5.243543 5.345471 6.533473 4.578500 4.831635 3.939924 4.099674 8.094525 5.856625 5.062700 2.676890 1.393872 1.390818 0.000000 8.196671 9.245127 8.566794 7.993318 6.662856 1.438096 5.945433 7.892717 6.219249 6.842568 4.778802 2.671854 4.904575 6.838006 6.154357 6.771880 6.787642 5.382802 6.058827 5.314810 7.308326 4.878791 6.084037 4.004906 2.383357 4.738077 3.654741 0.000000 4.479151 5.742815 3.525271 7.604149 6.104971 5.949516 1.444307 5.204949 7.786704 3.963944 4.840110 4.921178 2.680189 4.854223 5.838984 7.052559 3.934652 6.032390 4.210864 5.320179 9.075286 7.488991 4.953339 4.011874 4.742407 2.388682 3.663275 7.123158 0.000000 2.264926 2.547186 3.408334 1.973064 2.987886 7.935061 6.572160 1.021350 3.620063 3.192969 4.435840 6.013470 5.140159 2.058512 2.580431 2.426190 3.307967 3.962239 4.469893 4.735048 4.291986 4.542913 3.278196 5.095248 6.866341 6.111151 6.964144 8.222158 6.166494 0.000000 3.007457 4.356401 2.423566 4.937763 5.085586 6.688967 3.813900 2.639919 5.779430 3.555344 4.855312 5.391472 3.729390 2.139640 3.403602 4.659312 1.081113 3.857401 2.153442 3.397054 7.021309 6.068840 4.381759 4.497976 5.558122 3.969372 4.952690 7.567835 3.427371 3.627387 0.000000 5.871895 6.823084 6.490619 3.783616 5.018546 5.173401 6.389004 4.596138 2.782555 5.559900 4.763046 4.426895 5.207070 3.397666 2.144184 2.728061 3.859702 1.083448 3.385745 2.144825 4.083161 2.779328 4.949239 4.627546 4.810646 5.507743 5.361728 5.182026 6.996354 4.659358 4.940006 0.000000 5.205654 6.610056 4.748441 6.055023 6.371664 5.332901 3.423590 4.578667 6.205991 5.156898 5.454063 4.902475 3.966817 3.398057 3.887744 5.390325 2.141791 3.389633 1.083789 2.153818 7.625793 6.147394 5.580825 4.582901 4.538622 3.494853 3.826859 6.360660 3.940382 5.413418 2.475756 4.285835 0.000000 6.326515 7.596125 6.396574 5.620484 6.360193 4.434134 5.016971 5.304482 5.066202 5.999549 5.436696 4.419607 4.756752 3.885230 3.410849 4.680399 3.396898 2.149005 2.155485 1.083389 6.464406 4.824313 5.833278 4.674829 4.118219 4.448723 4.125035 5.043031 5.871181 5.800386 4.296260 2.470723 2.489276 0.000000 2.302684 3.426327 2.451222 5.310339 3.157136 5.783206 3.459347 3.212415 5.430470 1.027452 2.411968 3.791257 1.856708 3.251823 4.060621 4.812832 3.293233 4.768926 4.109011 4.792034 6.522612 5.239742 2.033734 2.469387 4.458928 3.020630 4.219559 6.451510 2.991740 3.911474 3.248257 5.637714 4.599819 5.662544 0.000000 7.022091 7.166619 8.278250 3.698807 4.672107 7.813106 9.478993 5.999567 2.087102 6.668649 5.677142 6.432777 7.513810 5.739017 4.532955 3.280247 6.940860 4.891629 7.157316 6.256582 1.092002 2.585201 5.509578 6.497073 7.463771 8.391458 8.428097 7.155421 9.782527 5.342451 7.856837 4.324652 8.204791 6.762240 7.295344 0.000000 6.226285 6.234113 7.492379 2.384357 4.491808 8.603818 9.430821 5.036778 2.097782 6.310715 5.963151 7.042327 7.594290 5.021517 4.014077 2.552507 6.330895 4.709094 6.780443 6.086775 1.087218 3.367866 5.405833 6.817644 8.049506 8.516207 8.782289 8.202986 9.526622 4.223243 7.145988 4.395942 7.858081 6.765569 7.037786 1.782601 0.000000 5.797303 5.695073 7.171086 3.003074 3.365800 8.093336 9.006572 5.023536 2.113114 5.531739 4.936402 6.296968 6.924600 5.151379 4.275481 2.889039 6.479418 5.091557 7.019224 6.427762 1.095596 2.855472 4.423376 6.018687 7.476224 7.997506 8.307688 7.615059 9.069849 4.259892 7.235684 4.890959 8.089738 7.157730 6.321101 1.784435 1.772607 0.000000 5.707829 6.116252 6.846250 4.074608 2.986267 5.634752 7.331870 5.144083 2.090741 4.780967 3.189703 3.955688 5.200447 4.753539 3.767094 3.144737 5.748331 4.098832 5.934001 5.213652 2.615379 1.095689 3.459385 4.031284 5.142119 6.136689 6.175321 5.066101 7.711401 4.840684 6.606862 3.853711 6.893946 5.763341 5.239275 2.710419 3.665337 2.601402 0.000000 6.672513 7.272704 7.668255 4.339265 4.439636 5.355557 7.676004 5.754166 2.107133 5.910946 4.342202 4.302494 5.847114 5.008540 3.715425 3.268874 5.854838 3.501323 5.692337 4.630214 2.814403 1.094750 4.747662 4.732221 5.170902 6.488561 6.246975 4.681947 8.273600 5.502695 6.862889 2.826299 6.619741 4.925192 6.213559 2.523140 3.680120 3.411432 1.776549 0.000000 5.168973 5.959900 6.045825 3.853611 3.284885 4.444902 5.985481 4.422737 2.114922 4.291509 2.791688 2.920134 4.112467 3.607622 2.557136 2.652849 4.345973 2.516401 4.289667 3.491214 3.387708 1.085247 3.250376 3.079948 3.884625 4.825922 4.788126 4.196358 6.515187 4.409964 5.296603 2.402736 5.214354 4.015050 4.488867 3.640609 4.197876 3.743607 1.770026 1.771615 0.000000 7.071637 8.423578 6.723596 8.422050 7.173314 2.602690 2.614068 7.080776 7.603061 6.020578 5.147908 3.380392 3.372924 6.021168 6.138916 7.400960 5.191038 5.476563 4.369856 4.549799 9.007918 6.753436 6.119609 3.755704 2.170507 2.167808 1.078853 4.036709 4.053073 7.847415 5.502910 5.971229 4.010530 4.362642 5.156527 9.305456 9.665367 9.284718 7.137836 7.049146 5.686278 0.000000 9.237519 10.309633 9.564086 8.893418 7.727560 2.014859 6.689342 8.879255 7.068806 7.910401 5.866683 3.731932 5.882702 7.764938 7.036890 7.662648 7.648813 6.138582 6.796765 5.988383 8.119688 5.737368 7.166982 5.060018 3.241389 5.567000 4.351009 1.087963 7.950744 9.210830 8.437406 5.841742 7.008969 5.546245 7.489980 7.871019 8.995253 8.489841 5.968122 5.387558 5.120748 4.500423 0.000000 7.807978 8.813609 8.302063 7.137633 6.136988 2.091073 6.186568 7.324153 5.278772 6.566169 4.514866 2.662505 4.940388 6.248722 5.399439 5.907630 6.348980 4.599467 5.648127 4.732133 6.347643 3.953729 5.702102 3.926873 2.704361 4.941996 4.008858 1.091729 7.280721 7.562039 7.227469 4.262178 6.097299 4.501618 6.302769 6.156098 7.218477 6.736749 4.257641 3.654815 3.352179 4.509295 1.790700 0.000000 8.211335 9.159072 8.650682 8.212397 6.452647 2.091777 6.187037 8.077644 6.393825 6.726227 4.526169 2.657744 4.922809 7.167734 6.534868 7.021312 7.219629 5.961944 6.662045 6.017460 7.376542 4.986587 5.895563 3.919623 2.699323 4.936554 4.009480 1.091338 7.262438 8.367344 7.947636 5.804519 7.014947 5.891814 6.379546 7.221844 8.345355 7.534656 4.934034 4.882214 4.387093 4.516488 1.790612 1.780200 0.000000 3.546846 4.862768 2.545119 6.686252 5.480263 6.218325 2.103526 4.195647 7.090326 3.324759 4.555868 4.954004 2.667489 3.928438 5.041505 6.235240 3.041639 5.386800 3.586230 4.779928 8.351242 6.970484 4.412611 3.922963 4.963166 2.721604 4.041327 7.295430 1.089940 5.180541 2.426074 6.408251 3.484069 5.478811 2.477639 9.124986 8.717638 8.361011 7.244984 7.807451 6.053029 4.558786 8.177512 7.290092 7.475804 0.000000 5.252344 6.479770 4.101234 8.445197 7.135599 6.691830 2.017902 5.963103 8.747713 4.949203 5.926609 5.898261 3.737962 5.627931 6.678370 7.946675 4.566449 6.814182 4.766878 5.968889 10.050553 8.495559 6.004468 5.065495 5.571164 3.241843 4.357711 7.949061 1.087495 6.957631 3.911646 7.797294 4.287614 6.441411 4.016381 10.772184 10.451217 10.074902 8.763257 9.256039 7.510266 4.516066 8.706581 8.152473 8.140649 1.787309 0.000000 4.494015 5.601114 3.662237 7.889487 5.923381 6.170237 2.093254 5.496422 7.998992 3.757713 4.630433 4.950803 2.685939 5.329837 6.284068 7.351928 4.634307 6.601236 5.040179 6.049998 9.209063 7.634382 4.754162 3.949963 4.929134 2.705270 3.999400 7.256239 1.091567 6.389078 4.162283 7.527779 4.904614 6.643165 2.800837 9.916227 9.725848 9.079785 7.701813 8.468240 6.706056 4.500920 8.126404 7.474926 7.231258 1.781303 1.787129 0.000000 4.677970 5.310197 5.553791 5.045914 2.401430 4.572058 5.481714 4.749131 3.781780 3.217631 1.010344 2.370208 3.209176 4.411500 4.038659 4.128570 5.042458 4.430031 5.316515 5.049463 4.673159 2.862466 2.015305 2.019659 3.701868 4.288683 4.550470 4.436470 5.799476 4.849428 5.663905 4.674125 6.085433 5.670031 3.409342 5.042827 5.591182 4.436582 2.404709 3.675580 2.400193 5.607959 5.507854 4.075469 4.093718 5.533201 6.882988 5.596739 0.000000 C16H20N6O6S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.27279999999973 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;8;9;10;11;12;13;2;3;4;5;6;7;1;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nS0O0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1251,-2.2189,-.481;-3.3443,-2.3474,-1.2417;-1.446,-3.3701,.0966;-3.5454,1.4164,.9215;-1.8718,.4611,-2.0217;4.3642,1.8213,-.1308;3.01,-2.6109,.4797;-2.4285,-1.0944,.7213;-2.0656,2.9409,.1315;-.8746,-1.5322,-1.4276;.4014,.3574,-1.961;2.3872,1.0937,-1.071;1.7247,-1.1783,-.79;-1.3582,-.4432,1.3883;-1.2754,.9668,1.4021;-2.3767,1.7832,.7829;-.3749,-1.2014,2.0318;-.2293,1.5704,2.1087;.6837,-.5782,2.6817;.7548,.8124,2.7335;-3.1813,3.7237,-.3987;-.777,3.2389,-.4829;-.8808,-.2045,-1.8129;1.5582,.0634,-1.242;3.4819,.8384,-.3477;2.8125,-1.3989,-.0407;3.7527,-.4069,.217;4.0954,3.1143,-.6999;2.0667,-3.6587,.166;-3.206,-.4769,.4818;-.4615,-2.279,2.0238;-.1942,2.6516,2.1704;1.4414,-1.1826,3.1667;1.5616,1.3018,3.2658;.0505,-1.8906,-1.1603;-2.8643,4.7641,-.4962;-4.031,3.6599,.2765;-3.4858,3.3442,-1.3803;-.8933,3.2465,-1.5724;-.4216,4.2248,-.1665;-.0279,2.4984,-.2217;4.6336,-.5894,.8125;4.9384,3.7336,-.4008;3.1625,3.5235,-.3071;4.0323,3.0542,-1.7878;1.0643,-3.4096,.514;2.4413,-4.5357,.6887;2.0434,-3.8426,-.9097;.3577,1.3167,-2.275; 0.2093456 0.1624216 0.1213377 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= 1319 RedAO= T EigKep= 1.00D-06 NBF= 1319 NBsUse= 1316 1.00D-06 EigRej= 7.42D-07 NBFU= 1316 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= 1458 1458 1458 1458 1458 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1800.26186020898 -1800.40994310341 -0.148082894424 -1800.40483778980 0.005105313601 -1800.41316443719 -0.008326647388 -1800.41336344215 -0.000199004957 -1800.41339219635 -0.000028754203 -1800.41339736380 -0.000005167451 -1800.41339783613 -0.000000472324 -1800.41339787405 -0.000000037924 -1800.41339787966 -0.000000005608 -1800.41339788067 -0.000000001010 -1800.41339788084 -0.000000000166 -1800.41339788063 0.000000000207 -1800.41339788111 -0.000000000484 -1800.41339788 14 1.793751557058e+03 -1.096598294799e+04 3.999480439303e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4242225413 LenY= 4239994871 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. PT94922.800S 2022-03-23T05:17:59.000 -89.07894 -19.19140 -19.18994 -19.13279 -19.13270 -19.12085 -19.10053 -14.37883 -14.36503 -14.35965 -14.35902 -14.34012 -14.33669 -10.33532 -10.31690 -10.30507 -10.30399 -10.28697 -10.24509 -10.24435 -10.23691 -10.21934 -10.20945 -10.20319 -10.20163 -10.19800 -10.19514 -10.19447 -10.19294 -8.13111 -6.09558 -6.09399 -6.09264 -1.13760 -1.11556 -1.11033 -1.08734 -1.05294 -1.03137 -1.02360 -0.96096 -0.95418 -0.94825 -0.92996 -0.91387 -0.87289 -0.81851 -0.78740 -0.76742 -0.76168 -0.73671 -0.72445 -0.71562 -0.70949 -0.68584 -0.65434 -0.64765 -0.63776 -0.60907 -0.59169 -0.58748 -0.57820 -0.56587 -0.54797 -0.54163 -0.53120 -0.52955 -0.51834 -0.51652 -0.50630 -0.49791 -0.49664 -0.49484 -0.49060 -0.48406 -0.47834 -0.47014 -0.46373 -0.46034 -0.45360 -0.45211 -0.44347 -0.43921 -0.42645 -0.42235 -0.42072 -0.41495 -0.39890 -0.39587 -0.39229 -0.38807 -0.38485 -0.38269 -0.38184 -0.37875 -0.36889 -0.35857 -0.35422 -0.34627 -0.33454 -0.33387 -0.32020 -0.31046 -0.30684 -0.30207 -0.29943 -0.28716 -0.27266 -0.26129 -0.25912 -0.25299 -0.05953 -0.04959 -0.04192 -0.03737 -0.02086 -0.00564 -0.00426 0.00258 0.00540 0.01180 0.01412 0.01773 0.02154 0.02339 0.02980 0.03613 0.03727 0.04047 0.04253 0.04329 0.04670 0.05308 0.05557 0.05902 0.06205 0.06531 0.06953 0.07263 0.07406 0.07618 0.08000 0.08369 0.08495 0.08614 0.09194 0.09464 0.09482 0.09793 0.09985 0.10402 0.10540 0.10863 0.11220 0.11457 0.12071 0.12315 0.12527 0.12870 0.13007 0.13309 0.13410 0.13588 0.13689 0.13934 0.14043 0.14223 0.14566 0.15035 0.15117 0.15741 0.15942 0.16021 0.16182 0.16417 0.16692 0.16890 0.16994 0.17264 0.17772 0.18097 0.18281 0.18744 0.18950 0.19111 0.19227 0.19416 0.19861 0.19944 0.20375 0.20387 0.20486 0.20940 0.21446 0.21668 0.21719 0.21994 0.22145 0.22364 0.22833 0.22953 0.23161 0.23438 0.23539 0.23866 0.23994 0.24252 0.24488 0.24825 0.25117 0.25291 0.25600 0.25833 0.25954 0.26133 0.26466 0.26947 0.27041 0.27137 0.27435 0.27658 0.27845 0.27981 0.28236 0.28548 0.28681 0.28926 0.29130 0.29538 0.29729 0.29888 0.30016 0.30328 0.30693 0.30804 0.30985 0.31111 0.31267 0.31716 0.31782 0.32210 0.32431 0.32787 0.33112 0.33388 0.33544 0.33889 0.34011 0.34154 0.34324 0.34790 0.35059 0.35520 0.35670 0.35849 0.36311 0.36561 0.36938 0.37310 0.37458 0.37757 0.37934 0.38242 0.38624 0.38952 0.39070 0.39477 0.39627 0.39731 0.39924 0.40352 0.40771 0.40950 0.41445 0.41753 0.42234 0.42443 0.42726 0.43085 0.43675 0.43924 0.44170 0.44427 0.44797 0.45440 0.45532 0.45900 0.46316 0.46576 0.46898 0.47249 0.47669 0.47871 0.48068 0.48203 0.48944 0.49177 0.49299 0.49855 0.50151 0.50323 0.50771 0.51126 0.51342 0.51652 0.52035 0.52879 0.53062 0.53336 0.53615 0.53850 0.54190 0.54657 0.54768 0.55447 0.55731 0.55993 0.56289 0.56522 0.56730 0.57261 0.57583 0.57714 0.58401 0.58788 0.59121 0.59338 0.59610 0.59898 0.60393 0.60653 0.60798 0.61027 0.61158 0.61467 0.61672 0.62169 0.62637 0.63181 0.63417 0.63697 0.63937 0.64390 0.64674 0.64963 0.65535 0.65588 0.65914 0.66617 0.66866 0.66953 0.67231 0.67840 0.67939 0.68239 0.68605 0.69242 0.69273 0.69750 0.70281 0.70329 0.70492 0.71020 0.71473 0.71678 0.72161 0.72337 0.72744 0.73073 0.73864 0.73944 0.74750 0.75129 0.75170 0.75736 0.76070 0.76532 0.76811 0.77310 0.77517 0.78260 0.78318 0.78477 0.78804 0.79082 0.79562 0.80211 0.80398 0.80968 0.81489 0.81976 0.82078 0.82462 0.82998 0.83277 0.83502 0.84284 0.84511 0.85253 0.85629 0.86124 0.86357 0.86573 0.87051 0.87183 0.87903 0.87948 0.88328 0.89280 0.89866 0.90158 0.90849 0.91233 0.91706 0.91829 0.92328 0.92805 0.93271 0.93548 0.93661 0.94424 0.94856 0.95223 0.95839 0.95877 0.96454 0.96739 0.97203 0.97655 0.97916 0.98213 0.98683 0.99094 0.99540 1.00152 1.00565 1.01112 1.01313 1.01913 1.02061 1.02389 1.03191 1.03389 1.03827 1.04185 1.04784 1.05193 1.05752 1.06106 1.06789 1.07184 1.07340 1.07560 1.08096 1.08272 1.08465 1.09083 1.09839 1.10267 1.10299 1.10850 1.11377 1.11704 1.12007 1.12140 1.13168 1.13716 1.13842 1.14228 1.14456 1.14667 1.15296 1.15834 1.15943 1.16382 1.16688 1.17271 1.17453 1.17721 1.17868 1.18537 1.18776 1.19415 1.19547 1.19956 1.20360 1.20449 1.21194 1.21460 1.21779 1.22442 1.22547 1.23060 1.23363 1.23822 1.23983 1.24032 1.24653 1.25099 1.25393 1.25939 1.26058 1.26243 1.26573 1.26659 1.27288 1.27524 1.28135 1.28713 1.29035 1.29327 1.29637 1.30168 1.30414 1.30610 1.31025 1.31396 1.31433 1.32387 1.32671 1.33391 1.33568 1.33773 1.34193 1.34366 1.35116 1.35165 1.35762 1.36048 1.36252 1.36956 1.37164 1.37539 1.37995 1.38301 1.38689 1.39257 1.39469 1.39942 1.40486 1.40719 1.41489 1.41985 1.42352 1.42803 1.43018 1.43867 1.43917 1.44582 1.44952 1.45132 1.45751 1.45935 1.46384 1.46799 1.47210 1.47347 1.48035 1.48227 1.48819 1.49093 1.49565 1.49972 1.50189 1.51370 1.51650 1.51997 1.52888 1.53434 1.54268 1.54518 1.55008 1.55425 1.56280 1.57356 1.57649 1.57920 1.59214 1.59693 1.60042 1.60699 1.61095 1.61341 1.61369 1.62137 1.62440 1.63443 1.64769 1.65210 1.65634 1.66616 1.67023 1.67901 1.68531 1.69064 1.69823 1.70189 1.70768 1.70991 1.72067 1.72824 1.73494 1.74058 1.74700 1.75740 1.75869 1.76372 1.77157 1.78448 1.79043 1.79530 1.79999 1.80896 1.81305 1.82175 1.82668 1.83211 1.84040 1.85015 1.85537 1.86142 1.88090 1.88346 1.89239 1.89392 1.90520 1.90729 1.91010 1.91517 1.92218 1.93419 1.93489 1.94308 1.94591 1.94926 1.95663 1.96646 1.96774 1.97554 1.98194 1.98500 1.99459 1.99686 2.00987 2.01666 2.02002 2.02359 2.02777 2.03197 2.03570 2.05161 2.05257 2.06483 2.06793 2.07076 2.07826 2.08604 2.08874 2.09580 2.10586 2.11135 2.11352 2.11508 2.12067 2.13041 2.13614 2.14119 2.15466 2.15923 2.16834 2.17082 2.17963 2.18750 2.19563 2.19885 2.20095 2.20690 2.21204 2.21708 2.22259 2.22660 2.23857 2.24305 2.25187 2.25923 2.26428 2.26931 2.28845 2.29451 2.30580 2.31343 2.33155 2.34286 2.34972 2.36948 2.38310 2.38694 2.39066 2.39811 2.41836 2.42679 2.43807 2.44670 2.45298 2.46364 2.46735 2.47700 2.48670 2.49938 2.50571 2.51975 2.52817 2.54029 2.54495 2.55372 2.56810 2.57265 2.59128 2.59605 2.61235 2.61633 2.63045 2.63909 2.64339 2.65304 2.66190 2.67261 2.69400 2.69784 2.70616 2.71811 2.73475 2.73914 2.74603 2.74695 2.76296 2.76847 2.77910 2.78423 2.79628 2.79721 2.81086 2.82508 2.83291 2.83621 2.84315 2.85473 2.86070 2.86627 2.87323 2.87770 2.88384 2.89059 2.89834 2.89930 2.90403 2.91528 2.92272 2.92499 2.93411 2.93880 2.94171 2.94726 2.95307 2.95678 2.96069 2.96793 2.97330 2.97843 2.97996 2.98384 2.99084 2.99874 3.00107 3.01277 3.01672 3.02388 3.02767 3.03293 3.04030 3.04528 3.04891 3.05585 3.05974 3.06988 3.07193 3.08431 3.09545 3.09668 3.10620 3.11687 3.11951 3.12483 3.12672 3.13791 3.15267 3.15834 3.16555 3.17736 3.18437 3.19143 3.20325 3.21023 3.21305 3.22886 3.23299 3.24385 3.25030 3.25577 3.25800 3.26717 3.27455 3.27534 3.27827 3.29215 3.29685 3.30508 3.31602 3.31927 3.32234 3.33212 3.33303 3.33359 3.34301 3.34622 3.34997 3.36927 3.36976 3.37480 3.38753 3.39104 3.39563 3.39770 3.40240 3.42225 3.42944 3.43167 3.43736 3.43839 3.44841 3.45813 3.46243 3.47140 3.47663 3.48388 3.49038 3.50148 3.51396 3.51484 3.52201 3.52425 3.53353 3.53706 3.54703 3.54799 3.55567 3.55856 3.56410 3.56819 3.57373 3.58029 3.58236 3.58823 3.60062 3.60491 3.60882 3.61450 3.61770 3.63247 3.63507 3.63903 3.64520 3.65411 3.66190 3.67266 3.67350 3.67938 3.68564 3.68977 3.70589 3.70716 3.71518 3.72023 3.72483 3.73278 3.73542 3.74332 3.75838 3.76510 3.77230 3.78209 3.78994 3.79318 3.79766 3.80568 3.81296 3.81725 3.81998 3.82166 3.83192 3.83914 3.85241 3.85463 3.86622 3.87120 3.87648 3.88345 3.89093 3.89713 3.91534 3.91659 3.93404 3.93822 3.94062 3.95891 3.96278 3.97340 3.97694 3.98145 3.98900 3.99897 4.01637 4.01925 4.04730 4.06368 4.07469 4.08561 4.09171 4.10037 4.11651 4.12268 4.13570 4.15202 4.15853 4.16578 4.17633 4.18180 4.19178 4.20077 4.20784 4.21734 4.22485 4.22752 4.23323 4.24164 4.24362 4.24555 4.25843 4.26482 4.27086 4.27566 4.28232 4.29148 4.29586 4.30237 4.31029 4.31603 4.32241 4.32564 4.32923 4.34141 4.34229 4.34807 4.35462 4.35864 4.36644 4.37705 4.38286 4.39216 4.39674 4.40241 4.40963 4.41135 4.42309 4.43298 4.43474 4.44118 4.44456 4.45308 4.45835 4.46541 4.46960 4.47680 4.49075 4.49961 4.50482 4.51564 4.51976 4.52484 4.53057 4.53904 4.54225 4.55604 4.56458 4.56903 4.57565 4.57917 4.58502 4.59472 4.60065 4.60624 4.61316 4.62350 4.63612 4.63639 4.64194 4.65521 4.68567 4.69078 4.69744 4.71558 4.72849 4.74755 4.75199 4.76811 4.77500 4.78832 4.79586 4.80161 4.82074 4.83471 4.83769 4.84375 4.85866 4.87223 4.88260 4.90088 4.90405 4.92279 4.92545 4.95085 4.96399 4.98988 5.00117 5.01583 5.02555 5.04130 5.04720 5.04944 5.06624 5.06983 5.08485 5.09381 5.10230 5.11681 5.12102 5.14130 5.15148 5.15939 5.16645 5.18273 5.18760 5.20358 5.24714 5.25769 5.26035 5.27329 5.27637 5.29860 5.30663 5.31546 5.32274 5.33495 5.34849 5.37963 5.38393 5.40386 5.41224 5.42695 5.44044 5.44670 5.46206 5.47714 5.48249 5.49057 5.49614 5.51174 5.52897 5.54653 5.55102 5.56984 5.60812 5.61440 5.65090 5.65598 5.66858 5.67542 5.68451 5.69029 5.70322 5.72658 5.73219 5.74471 5.75362 5.76169 5.77741 5.78442 5.79590 5.81293 5.81924 5.83008 5.84353 5.85636 5.86215 5.87442 5.90241 5.90807 5.91735 5.93564 5.93710 5.94431 5.96396 5.96994 5.97859 5.99084 5.99465 6.04457 6.08324 6.12050 6.14941 6.18143 6.21375 6.21794 6.27422 6.32047 6.33689 6.34476 6.36320 6.36908 6.39359 6.49019 6.55072 6.57471 6.60094 6.63146 6.67785 6.76980 6.82095 6.86958 6.94307 6.95995 6.97560 7.12132 7.13963 7.14524 7.17438 7.19214 7.21575 7.23772 7.25272 7.26465 7.26828 7.28604 7.30204 7.32029 7.32700 7.33176 7.34461 7.34731 7.36066 7.36756 7.36951 7.37908 7.38636 7.40308 7.41598 7.42536 7.43142 7.44410 7.45755 7.47099 7.48562 7.49612 7.50379 7.53530 7.53879 7.56358 7.57770 7.60437 7.63626 7.64639 7.67693 7.68442 7.70231 7.71961 7.74798 7.80785 7.86579 7.87803 7.91229 7.92586 7.93191 7.95031 7.95124 7.96123 7.96348 7.97479 7.98220 7.99064 8.00220 8.01880 8.04057 8.05339 8.05800 8.10351 8.11812 8.13113 8.14194 8.14289 8.16941 8.24519 8.28136 8.29870 8.35000 8.35639 8.36982 8.45426 8.45977 8.49229 8.54017 8.60486 8.75980 9.20886 9.37346 10.34907 10.37289 10.39361 10.41024 10.46811 10.49755 10.50790 10.55566 10.56097 10.60979 10.64294 10.65129 10.65583 10.68133 10.71944 10.72563 10.76201 10.84684 10.94545 10.98438 11.01904 11.11907 11.16406 11.18899 11.24046 11.30248 11.41320 11.45618 11.52067 11.70631 14.34853 14.35215 14.39071 14.40502 14.40784 14.42152 14.45728 14.46284 14.47219 14.47870 14.48093 14.48846 14.49979 14.50374 14.51162 14.52194 14.54091 14.55267 14.65832 14.69946 14.73361 14.81545 14.85100 14.87730 14.99839 15.02224 15.07225 15.10560 15.12737 15.13646 17.85101 17.99213 18.26222 24.09476 24.28488 24.29287 24.36713 24.38334 24.62230 24.94445 24.97920 25.15107 25.18214 25.23268 25.24323 25.34084 25.40214 25.58309 25.77630 35.97826 35.99631 36.11392 36.12785 36.30808 36.40105 50.07360 50.20941 50.26018 50.27724 50.48573 50.49328 190.29335 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 S O O O O O O N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.628674 -0.421001 -0.437748 -0.784547 -0.728594 -0.613202 -0.661067 -0.869055 -0.518003 -0.561869 -0.743517 -1.040896 -0.729077 0.749568 0.611982 0.772463 -0.544133 -0.385690 -0.270309 -0.277349 -0.142781 -0.433548 1.392234 1.448671 0.781506 0.754980 -0.399012 -0.102045 -0.216669 0.308682 0.166805 0.142667 0.135018 0.138852 0.338933 0.130357 0.160109 0.150695 0.143572 0.148965 0.309049 0.155931 0.149391 0.175632 0.168800 0.252624 0.152560 0.174487 0.236904 -0.00000 7.7512 5.1509 0.7446 9.3364 -194.1399 -160.6333 -178.4532 -7.6192 -2.2493 -6.2444 -16.3978 17.1089 -0.7111 -7.6192 -2.2493 -6.2444 77.4083 65.9149 -14.3399 49.4743 44.3717 -3.5725 29.3070 -0.2097 -9.4955 9.8525 -6363.4710 -4330.6287 -1980.9090 71.5347 -4.4433 -131.3738 -53.2347 35.5481 -19.2037 -1677.6431 -1393.3173 -1074.1279 -90.6958 -14.3587 9.3977 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ21 APULGAR 2022-03-23T00:00:00.000 0 Single Point orthosulfamuron CONF437 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1800.4133979 RMSD=1.312e-09 Dipole=-2.8293064,-1.1244301,-2.055036 Quadrupole=-10.1525892,-1.9768671,12.1294562,-4.6784476,-3.9152457,-6.8936403 PG=C01 [X(C16H20N6O6S1)] 0 2.0434907503 0.9931144939 2.2275497723 0 2.9658338795 2.0886816292 2.4026316807 0 1.5920628676 0.1732146836 3.3429054118 0 3.7879932842 0.2957125137 -1.4697014551 0 1.2908089116 2.5152148013 -0.3680606864 0 -4.0591539063 -1.1545483453 -1.8592020056 0 -2.5304796029 -1.5418366155 2.5412738988 0 2.6938242266 0.0060731936 1.0423455288 0 2.1179354095 0.6624333721 -2.9577963704 0 0.5521300303 1.5364485728 1.5856715438 0 -0.8485268281 1.7425422604 -0.2795217169 0 -2.4658965566 0.3166600845 -1.0723801344 0 -1.7223301556 0.1385028764 1.1848272191 0 1.8775399551 -0.9269322145 0.3510698368 0 1.7867954848 -0.8924133701 -1.0581341653 0 2.6302220183 0.08136315 -1.8346790228 0 1.1531255075 -1.8838676478 1.0688686953 0 1.0063942009 -1.8577754653 -1.7038737376 0 0.3429284511 -2.7983668285 0.4064555441 0 0.2753669417 -2.7972643977 -0.9852353943 0 3.0032140955 1.5545576551 -3.7054881307 0 0.6985416979 0.8585185177 -3.2293727712 0 0.4222876225 1.9730681843 0.2803315141 0 -1.7197407663 0.6839822285 -0.0301814061 0 -3.2772037272 -0.7245967891 -0.861590053 0 -2.5193879903 -0.9234503969 1.3596254708 0 -3.3437319245 -1.409698636 0.3504699415 0 -3.9964422473 -0.4634113257 -3.1187721219 0 -1.7200302043 -1.0043673772 3.6091325373 0 3.3504892191 0.5081758542 0.44247847 0 1.2454040665 -1.9053638462 2.1458217875 0 0.9797189458 -1.8709193538 -2.7869140276 0 -0.2184520695 -3.5264873645 0.9802948734 0 -0.3307049888 -3.5285275981 -1.5064477599 0 -0.2390911021 0.9753396168 1.9244696972 0 2.6595206706 1.6022404655 -4.7408955962 0 4.0218994587 1.1760306126 -3.6732186653 0 2.9905709523 2.5609988834 -3.2727682055 0 0.4689524522 1.9286731624 -3.1784537627 0 0.4481373894 0.4987887463 -4.2325527965 0 0.0770530008 0.3382369344 -2.5076941248 0 -3.9925967053 -2.2591498822 0.4965183991 0 -4.7112222521 -0.9780514058 -3.7574408375 0 -2.9924648469 -0.5234518561 -3.5433863661 0 -4.2752785682 0.585056404 -3.0005150037 0 -0.6620552112 -1.0085496684 3.3471369311 0 -1.9024836791 -1.6628646515 4.4551448263 0 -2.0313880772 0.0137459651 3.8500074816 0 -0.9162065931 2.1039431473 -1.2205874684