Gaussian 16 GINC-GARGANTILLA APULGAR Optimization cinosulfuron CONF90 water EM64L-G16RevC.01 16-Mar-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 47 47 108 108 738 (5D, 7F) 6-311+G(d,p) 135 135 C1[X(C15H19N5O7S)] C1[X(C15H19N5O7S)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 394.25479999999976 0 1 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2892,-1.5405,-.1981;-1.666,.9743,1.1521;-2.0783,-2.0227,1.155;-2.8447,-2.4462,-1.1848;1.0686,1.9725,1.2633;-1.4116,-.0547,-2.6075;2.9613,-1.8628,1.5291;5.1891,.5945,-1.5066;-.7686,-1.0717,-.6847;.7626,.0648,-2.0123;3.004,.3469,-1.7568;1.8034,-.9354,-.1926;4.1282,-.6904,.045;-3.2632,-.0764,-.1883;-2.8594,1.0392,.5599;-4.4702,-.0873,-.8736;-3.7113,2.1402,.6129;-1.2214,2.0826,1.9285;-5.3061,1.0131,-.8125;-4.9195,2.1166,-.0664;.1973,1.8448,2.3605;-.542,-.3447,-1.8143;1.8925,-.1843,-1.2857;2.4148,1.9932,1.6698;2.9476,-1.1464,.4315;4.0866,.058,-1.0422;1.7263,-2.3744,2.0359;6.4164,.3819,-.8071;-4.7621,-.9522,-1.4517;-3.4487,3.0208,1.1813;.0136,-1.2126,-.0349;-1.8505,2.1921,2.8157;-1.2805,3.009,1.35;-6.2478,1.0066,-1.3423;-5.5651,2.9824,-.0084;.4244,2.5941,3.1301;.2957,.8605,2.8395;.899,.6181,-2.8488;3.0369,2.1264,.7853;2.6229,2.8266,2.3516;2.7124,1.0712,2.1824;1.9848,-2.9211,2.9375;1.2559,-3.0551,1.3275;1.0376,-1.5696,2.2957;7.1669,.9348,-1.3638;6.6867,-.6725,-.7861;6.3665,.7666,.2104; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-3268189/Gau-38031.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-3268189/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfon #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization cinosulfuron CONF90 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 32 16 16 16 16 16 16 16 14 14 14 14 14 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 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 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 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 0 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 1 2 2 5 5 6 7 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 18 19 19 20 21 21 24 24 24 27 27 27 28 28 28 3 4 9 14 15 18 21 24 22 25 27 26 28 22 31 22 23 38 23 26 23 25 25 26 15 16 17 19 29 20 30 21 32 33 20 34 35 36 37 39 40 41 42 43 44 45 46 47 1.4518 1.4501 1.6639 1.7585 1.3338 1.4243 1.4068 1.4064 1.2122 1.3107 1.4296 1.3111 1.4286 1.3622 1.0267 1.3817 1.3663 1.0122 1.3189 1.3289 1.3292 1.3204 1.3233 1.3206 1.4026 1.388 1.3931 1.3833 1.0805 1.3863 1.0804 1.502 1.0932 1.0938 1.3871 1.0805 1.0816 1.0979 1.0991 1.0896 1.0967 1.0962 1.0856 1.0892 1.0906 1.0858 1.0888 1.089 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 4 4 9 15 21 25 26 1 1 22 22 22 23 23 23 25 1 1 15 2 2 14 14 14 19 15 15 20 2 2 2 21 21 32 16 16 20 17 17 19 5 5 5 18 18 36 6 6 9 10 10 11 5 5 5 39 39 40 7 7 12 8 8 11 7 7 7 42 42 43 8 8 8 45 45 46 1 1 1 1 1 1 2 5 7 8 9 9 9 10 10 10 11 12 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 4 9 14 9 14 14 18 24 27 28 22 31 31 23 38 38 26 25 26 15 16 16 14 17 17 19 29 29 20 30 30 21 32 33 32 33 33 20 34 34 19 35 35 18 36 37 36 37 37 9 10 10 11 12 12 39 40 41 40 41 41 12 13 13 11 13 13 42 43 44 43 44 44 45 46 47 46 47 47 118.8409 103.4968 110.5951 109.0916 108.1596 105.8571 118.9057 111.6399 118.9109 119.2163 123.0147 118.1945 118.123 130.5905 114.0623 115.3223 114.0061 114.8901 114.0599 120.3802 118.1827 121.332 117.1093 124.658 118.2204 119.829 120.3616 119.809 120.0519 121.0357 118.9121 109.1722 109.9215 110.7272 109.0238 109.7055 108.2649 119.2196 120.0145 120.7658 121.3426 118.7055 119.9518 110.2603 110.8958 111.4495 106.7984 110.5927 106.6888 123.4315 120.8413 115.7258 115.6922 119.003 125.3005 108.2842 111.8715 112.4961 107.668 109.1163 107.2724 119.4845 115.0662 125.4493 113.9257 119.8044 126.2699 105.6019 111.4805 111.4551 109.1611 108.9127 110.0852 105.488 111.5216 111.4442 109.3603 109.3216 109.5996 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 4 4 14 14 3 3 4 4 9 9 18 18 15 15 15 24 24 24 21 21 21 27 27 25 25 25 28 28 26 26 26 1 1 31 31 23 23 38 38 22 22 38 38 26 26 23 23 25 25 23 23 26 26 25 25 1 1 16 16 1 1 15 15 2 2 14 14 14 14 29 29 15 15 30 30 2 2 2 32 32 32 33 33 33 16 16 34 34 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 5 5 5 5 5 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 9 9 9 9 9 9 14 14 14 14 14 14 15 15 18 18 18 21 21 21 24 24 24 25 25 27 27 27 26 26 28 28 28 22 22 22 22 22 22 22 22 23 23 23 23 23 23 26 26 23 23 25 25 25 25 26 26 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 21 21 21 21 21 20 20 20 20 22 31 22 31 22 31 15 16 15 16 15 16 14 17 21 32 33 18 36 37 39 40 41 12 13 42 43 44 11 13 45 46 47 6 10 6 10 6 9 6 9 11 12 11 12 10 12 8 13 10 11 7 13 7 12 8 11 2 17 2 17 19 29 19 29 20 30 20 30 20 34 20 34 19 35 19 35 5 36 37 5 36 37 5 36 37 17 35 17 35 -168.3915 2.0562 64.1615 -125.3908 -52.0168 118.4309 55.9069 -120.4156 -172.3662 11.3113 -55.5577 128.1197 -179.6083 1.6968 -173.6471 66.8098 -52.7658 169.4425 51.3643 -67.3382 -178.1516 -59.6578 61.1751 -1.2658 178.7696 -179.7412 61.8275 -61.6208 178.5904 -1.3576 -178.7655 62.6109 -60.2293 -5.1804 174.3922 -175.6345 3.938 -177.3425 3.073 0.7309 -178.8537 179.1701 -0.1147 1.1163 -178.1685 -178.5147 0.7188 -179.5452 0.3989 178.6838 -0.5265 179.2178 -0.8216 -178.2825 1.7553 178.4049 -1.5362 5.7446 -175.4736 -178.0505 0.7313 175.5649 -4.2116 -0.7209 179.5026 178.4491 -1.7472 -0.2326 179.5711 0.1997 -179.8072 179.9775 -0.0294 -0.275 179.8673 179.9171 0.0595 71.9256 -167.5055 -51.7916 -167.9775 -47.4086 68.3053 -49.5771 70.9917 -173.2944 0.2947 -179.8494 -179.6983 0.1576 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 766 A 738 A 1174 766 3127.4111706532 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 738 RedAO= T EigKep= 1.85D-06 NBF= 738 NBsUse= 736 1.00D-06 EigRej= 8.06D-07 NBFU= 736 Berny optimization. local minimum Step number 15 out of a maximum of 227 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00425 0.00775 0.00814 0.01199 0.01327 0.01384 0.01603 0.01727 0.01811 0.02014 0.02040 0.02055 0.02166 0.02202 0.02227 0.02242 0.02267 0.02275 0.02286 0.02292 0.02446 0.02663 0.02690 0.02719 0.02747 0.02849 0.02855 0.03418 0.04361 0.05360 0.05628 0.05887 0.06098 0.06431 0.07708 0.10159 0.10211 0.10257 0.10313 0.10510 0.10661 0.10802 0.10819 0.11299 0.11317 0.13211 0.13846 0.13937 0.14398 0.15142 0.15967 0.15987 0.15992 0.15998 0.16000 0.16000 0.16001 0.16004 0.16012 0.16020 0.16035 0.16082 0.16140 0.16276 0.20576 0.21995 0.22140 0.22359 0.22539 0.23306 0.23688 0.24383 0.24807 0.24902 0.24996 0.24998 0.25000 0.25001 0.25098 0.25720 0.26093 0.26480 0.28176 0.28872 0.31123 0.31782 0.33028 0.33827 0.33900 0.34068 0.34320 0.34341 0.34610 0.34823 0.34904 0.34939 0.35089 0.35272 0.35333 0.35521 0.35821 0.35926 0.35959 0.36052 0.37107 0.40474 0.41148 0.41768 0.42576 0.43235 0.43655 0.44404 0.44603 0.45609 0.46778 0.47096 0.47724 0.48197 0.49875 0.51220 0.53600 0.54718 0.55630 0.58833 0.59961 0.60968 0.61369 0.62612 0.64380 0.65153 0.91361 0.95483 0.99051 1.00727 11.34386 -5.41291321e-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 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 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 2.77353 2.76801 3.18473 3.36229 2.55128 2.73246 2.69392 2.69500 2.31318 2.50535 2.74558 2.51099 2.73862 2.59368 1.94725 2.62846 2.60772 1.91654 2.51297 2.53419 2.52839 2.51171 2.52402 2.51459 2.66478 2.63524 2.64401 2.62530 2.04411 2.63134 2.04188 2.84353 2.06613 2.06530 2.63469 2.04555 2.04821 2.07522 2.07474 2.05984 2.07377 2.07132 2.05440 2.05970 2.06047 2.05514 2.05957 2.05980 2.06206 1.79584 1.94108 1.90143 1.88964 1.86229 2.07556 1.95727 2.06189 2.07641 2.16544 2.04481 2.06081 2.28271 1.97970 2.01938 1.98395 2.00436 1.98564 2.10473 2.05492 2.12242 2.04920 2.17459 2.05934 2.08794 2.08903 2.10620 2.09684 2.09872 2.08762 1.88741 1.90697 1.91407 1.92176 1.91995 1.91346 2.08175 2.09356 2.10787 2.11796 2.07279 2.09244 1.90729 1.92459 1.92413 1.88641 1.93045 1.89063 2.16034 2.09978 2.02307 2.02392 2.06839 2.19087 1.87317 1.93441 1.94055 1.90655 1.91311 1.89578 2.08256 2.00873 2.19190 1.98214 2.09209 2.20896 1.82756 1.92441 1.92318 1.92746 1.92858 1.93032 1.82704 1.92697 1.92570 1.92674 1.92702 1.92817 -2.97161 -0.00038 1.10944 -2.20251 -0.92700 2.04423 0.97739 -2.11410 -3.01280 0.17890 -0.96854 2.22316 3.13029 0.00039 -3.02721 1.16420 -0.93351 3.05323 0.98207 -1.10477 3.07944 -1.12316 0.98734 -0.04401 3.09733 -3.10829 1.10150 -1.03420 3.13132 -0.01062 -3.13662 1.07302 -1.06338 -0.05641 3.08709 -3.02620 0.11730 -3.09638 0.04338 -0.01491 3.12485 3.07736 -0.06094 -0.00301 -3.14131 -3.12501 0.01303 3.13912 -0.00209 3.14103 0.00308 3.10806 -0.03325 -3.09919 0.04213 3.11885 -0.02315 0.08007 -3.07242 -3.11360 0.01710 3.07904 -0.06546 -0.01191 3.12678 3.12039 -0.02294 -0.00945 3.13040 -0.00112 -3.14095 -3.13978 0.00357 -0.00318 3.14092 3.14014 0.00105 1.24172 -2.94669 -0.87965 -2.95902 -0.86424 1.20280 -0.84829 1.24648 -2.96966 0.00864 -3.13549 -3.13473 0.00433 -0.00002 -0.00001 0.00000 0.00000 -0.00001 0.00002 0.00001 0.00000 0.00002 -0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00003 0.00002 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00002 -0.00003 0.00007 -0.00009 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00006 -0.00005 -0.00001 0.00006 -0.00006 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00004 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00002 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00003 0.00001 0.00002 0.00003 0.00001 0.00002 0.00001 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00002 -0.00001 -0.00001 -0.00000 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00002 0.00002 -0.00000 -0.00001 -0.00004 0.00001 -0.00007 -0.00005 0.00002 -0.00000 -0.00002 0.00001 0.00003 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00003 -0.00003 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00002 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00003 -0.00002 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00026 -0.00015 -0.00030 -0.00019 -0.00025 -0.00014 0.00009 0.00002 0.00009 0.00001 0.00006 -0.00002 -0.00051 -0.00047 0.00040 0.00040 0.00040 -0.00025 -0.00025 -0.00025 0.00003 0.00004 0.00003 0.00002 0.00015 -0.00034 -0.00034 -0.00035 0.00005 0.00004 -0.00006 -0.00006 -0.00006 0.00001 0.00013 -0.00010 0.00002 0.00017 0.00005 0.00002 -0.00010 -0.00013 -0.00019 0.00002 -0.00003 0.00002 0.00008 0.00002 0.00003 -0.00003 -0.00009 0.00013 -0.00001 -0.00003 0.00010 -0.00009 -0.00011 -0.00005 -0.00009 0.00003 -0.00001 0.00006 0.00008 -0.00002 0.00000 -0.00002 -0.00002 0.00002 0.00002 0.00003 -0.00000 0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00003 0.00003 0.00001 0.00003 0.00003 0.00001 0.00003 0.00003 -0.00002 -0.00002 0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00006 0.00003 0.00003 0.00001 -0.00001 0.00004 0.00000 0.00004 0.00000 -0.00003 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00002 0.00002 0.00002 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00002 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00002 -0.00002 -0.00003 -0.00001 0.00003 0.00001 0.00000 -0.00000 -0.00004 0.00000 0.00003 -0.00005 0.00004 -0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00000 -0.00001 0.00004 -0.00003 0.00002 -0.00003 -0.00001 -0.00003 0.00003 0.00001 0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00002 0.00003 -0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00003 -0.00002 0.00000 -0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00006 0.00000 0.00001 0.00004 -0.00002 -0.00002 -0.00002 0.00001 0.00001 0.00003 0.00009 0.00021 0.00008 0.00020 0.00005 0.00017 -0.00002 -0.00010 0.00001 -0.00007 0.00001 -0.00007 -0.00019 -0.00023 0.00012 0.00016 0.00017 0.00013 0.00014 0.00016 0.00008 0.00006 0.00005 0.00002 -0.00021 -0.00002 -0.00003 -0.00005 -0.00013 -0.00004 0.00014 0.00015 0.00013 0.00006 0.00016 -0.00005 0.00005 0.00002 -0.00007 0.00018 0.00009 0.00021 0.00013 0.00005 -0.00003 0.00004 0.00012 -0.00004 -0.00013 0.00003 -0.00006 -0.00027 -0.00002 0.00026 0.00002 -0.00003 0.00006 -0.00014 -0.00010 -0.00006 -0.00002 0.00008 0.00008 -0.00000 -0.00000 0.00005 0.00009 0.00001 0.00005 0.00003 0.00001 0.00003 0.00001 0.00002 0.00002 -0.00002 -0.00001 0.00002 -0.00000 -0.00000 -0.00002 -0.00004 -0.00004 -0.00000 -0.00002 -0.00002 -0.00004 -0.00004 -0.00002 -0.00002 -0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00006 0.00003 0.00003 0.00001 -0.00001 0.00004 -0.00000 0.00005 0.00000 -0.00005 0.00000 -0.00002 0.00000 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 0.00001 0.00002 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00002 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00004 0.00001 -0.00003 -0.00002 -0.00001 0.00002 -0.00007 -0.00005 -0.00003 -0.00000 0.00001 -0.00005 0.00007 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 -0.00000 -0.00000 0.00001 0.00002 -0.00003 0.00001 -0.00002 0.00003 -0.00001 -0.00002 0.00004 -0.00002 0.00003 -0.00003 -0.00002 -0.00003 0.00003 0.00001 0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00002 -0.00000 -0.00002 -0.00002 0.00002 -0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00003 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00003 0.00000 0.00002 -0.00001 -0.00002 -0.00001 0.00002 -0.00001 -0.00003 0.00002 -0.00006 0.00001 0.00000 0.00005 -0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00003 -0.00018 0.00005 -0.00021 0.00002 -0.00020 0.00003 0.00008 -0.00008 0.00010 -0.00006 0.00007 -0.00009 -0.00070 -0.00071 0.00052 0.00055 0.00057 -0.00012 -0.00011 -0.00010 0.00011 0.00010 0.00009 0.00004 -0.00006 -0.00036 -0.00037 -0.00040 -0.00008 -0.00001 0.00008 0.00009 0.00007 0.00007 0.00029 -0.00015 0.00007 0.00019 -0.00002 0.00020 -0.00001 0.00008 -0.00005 0.00007 -0.00006 0.00006 0.00020 -0.00002 -0.00010 0.00000 -0.00014 -0.00015 -0.00003 0.00023 0.00012 -0.00013 -0.00005 -0.00019 -0.00019 -0.00003 -0.00003 0.00014 0.00016 -0.00002 0.00000 0.00003 0.00007 0.00003 0.00007 0.00006 0.00001 0.00004 -0.00001 0.00001 0.00002 -0.00002 -0.00002 0.00002 0.00002 0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00006 -0.00007 -0.00001 -0.00001 2.77353 2.76801 3.18472 3.36228 2.55128 2.73252 2.69395 2.69503 2.31318 2.50534 2.74563 2.51098 2.73867 2.59368 1.94720 2.62846 2.60770 1.91655 2.51296 2.53417 2.52838 2.51169 2.52401 2.51457 2.66479 2.63526 2.64403 2.62531 2.04410 2.63135 2.04188 2.84352 2.06613 2.06530 2.63470 2.04555 2.04821 2.07522 2.07475 2.05984 2.07378 2.07132 2.05440 2.05969 2.06048 2.05514 2.05957 2.05979 2.06209 1.79585 1.94106 1.90141 1.88963 1.86230 2.07549 1.95723 2.06186 2.07640 2.16545 2.04476 2.06088 2.28270 1.97970 2.01939 1.98397 2.00437 1.98566 2.10472 2.05491 2.12243 2.04922 2.17456 2.05935 2.08792 2.08906 2.10620 2.09682 2.09877 2.08760 1.88744 1.90694 1.91405 1.92173 1.91998 1.91347 2.08176 2.09357 2.10786 2.11797 2.07279 2.09242 1.90732 1.92458 1.92411 1.88639 1.93047 1.89062 2.16033 2.09980 2.02306 2.02390 2.06842 2.19086 1.87316 1.93440 1.94054 1.90655 1.91314 1.89579 2.08258 2.00872 2.19189 1.98213 2.09211 2.20895 1.82753 1.92443 1.92312 1.92746 1.92858 1.93037 1.82701 1.92695 1.92569 1.92676 1.92703 1.92820 -2.97179 -0.00032 1.10922 -2.20250 -0.92720 2.04426 0.97747 -2.11418 -3.01270 0.17884 -0.96846 2.22308 3.12959 -0.00032 -3.02669 1.16475 -0.93294 3.05311 0.98196 -1.10486 3.07955 -1.12307 0.98743 -0.04396 3.09727 -3.10865 1.10113 -1.03460 3.13125 -0.01063 -3.13654 1.07311 -1.06331 -0.05634 3.08738 -3.02635 0.11737 -3.09619 0.04335 -0.01471 3.12484 3.07744 -0.06099 -0.00294 -3.14138 -3.12495 0.01323 3.13910 -0.00219 3.14104 0.00293 3.10791 -0.03328 -3.09896 0.04225 3.11872 -0.02319 0.07988 -3.07261 -3.11363 0.01707 3.07918 -0.06530 -0.01193 3.12678 3.12042 -0.02287 -0.00942 3.13047 -0.00106 -3.14094 -3.13973 0.00356 -0.00317 3.14094 3.14012 0.00104 1.24174 -2.94667 -0.87963 -2.95902 -0.86425 1.20279 -0.84828 1.24650 -2.96965 0.00858 -3.13556 -3.13474 0.00431 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000088 0.000014 0.001494 0.000371 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.677558e-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 1 1 1 1 2 2 5 5 6 7 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 18 19 19 20 21 21 24 24 24 27 27 27 28 28 28 3 4 9 14 15 18 21 24 22 25 27 26 28 22 31 22 23 38 23 26 23 25 25 26 15 16 17 19 29 20 30 21 32 33 20 34 35 36 37 39 40 41 42 43 44 45 46 47 1.4677 1.4648 1.6853 1.7792 1.3501 1.446 1.4256 1.4261 1.2241 1.3258 1.4529 1.3288 1.4492 1.3725 1.0304 1.3909 1.3799 1.0142 1.3298 1.341 1.338 1.3291 1.3357 1.3307 1.4101 1.3945 1.3992 1.3892 1.0817 1.3924 1.0805 1.5047 1.0934 1.0929 1.3942 1.0825 1.0839 1.0982 1.0979 1.09 1.0974 1.0961 1.0871 1.0899 1.0904 1.0875 1.0899 1.09 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 3 4 4 9 15 21 25 26 1 1 22 22 22 23 23 23 25 1 1 15 2 2 14 14 14 19 15 15 20 2 2 2 21 21 32 16 16 20 17 17 19 5 5 5 18 18 36 6 6 9 10 10 11 5 5 5 39 39 40 7 7 12 8 8 11 7 7 7 42 42 43 8 8 8 45 45 46 1 1 1 1 1 1 2 5 7 8 9 9 9 10 10 10 11 12 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 4 9 14 9 14 14 18 24 27 28 22 31 31 23 38 38 26 25 26 15 16 16 14 17 17 19 29 29 20 30 30 21 32 33 32 33 33 20 34 34 19 35 35 18 36 37 36 37 37 9 10 10 11 12 12 39 40 41 40 41 41 12 13 13 11 13 13 42 43 44 43 44 44 45 46 47 46 47 47 118.1471 102.8943 111.216 108.9438 108.2683 106.7013 118.9206 112.1435 118.1375 118.9693 124.0707 117.1587 118.0755 130.7896 113.4283 115.7022 113.6722 114.8412 113.7689 120.592 117.738 121.6057 117.4103 124.5951 117.9914 119.6304 119.6928 120.6766 120.14 120.2479 119.612 108.1404 109.2615 109.6683 110.1089 110.0048 109.6329 119.2754 119.9523 120.7723 121.3501 118.762 119.8878 109.2799 110.2707 110.2445 108.0831 110.6069 108.3248 123.7783 120.3083 115.9133 115.9622 118.5098 125.5277 107.3247 110.8337 111.1853 109.2374 109.6132 108.6204 119.3217 115.0915 125.5868 113.5683 119.8677 126.5641 104.7113 110.2606 110.1902 110.4351 110.4992 110.5992 104.6815 110.407 110.3345 110.3943 110.4104 110.4762 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 4 4 14 14 3 3 4 4 9 9 18 18 15 15 15 24 24 24 21 21 21 27 27 25 25 25 28 28 26 26 26 1 1 31 31 23 23 38 38 22 22 38 38 26 26 23 23 25 25 23 23 26 26 25 25 1 1 16 16 1 1 15 15 2 2 14 14 14 14 29 29 15 15 30 30 2 2 2 32 32 32 33 33 33 16 16 34 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 5 5 5 5 5 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 9 9 9 9 9 9 14 14 14 14 14 14 15 15 18 18 18 21 21 21 24 24 24 25 25 27 27 27 26 26 28 28 28 22 22 22 22 22 22 22 22 23 23 23 23 23 23 26 26 23 23 25 25 25 25 26 26 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 21 21 21 21 21 20 20 20 22 31 22 31 22 31 15 16 15 16 15 16 14 17 21 32 33 18 36 37 39 40 41 12 13 42 43 44 11 13 45 46 47 6 10 6 10 6 9 6 9 11 12 11 12 10 12 8 13 10 11 7 13 7 12 8 11 2 17 2 17 19 29 19 29 20 30 20 30 20 34 20 34 19 35 19 35 5 36 37 5 36 37 5 36 37 17 35 17 -170.2608 -0.0216 63.566 -126.1947 -53.1133 117.126 56.0003 -121.1288 -172.6206 10.2503 -55.4931 127.3778 179.3525 0.0223 -173.4464 66.7039 -53.4861 174.9371 56.2686 -63.2985 176.4387 -64.3526 56.5704 -2.5213 177.464 -178.0921 63.1111 -59.2551 179.4117 -0.6085 -179.7151 61.4794 -60.9272 -3.2319 176.8772 -173.3883 6.7208 -177.4096 2.4853 -0.8543 179.0406 176.3197 -3.4917 -0.1725 -179.9839 -179.0497 0.7467 179.8584 -0.1198 179.9679 0.1762 178.0788 -1.9049 -177.5704 2.4139 178.6968 -1.3263 4.5876 -176.0368 -178.396 0.9796 176.4157 -3.7506 -0.6825 179.1511 178.7853 -1.3144 -0.5413 179.359 -0.0639 -179.9632 -179.8959 0.2048 -0.1823 179.9614 179.9167 0.0604 71.1452 -168.8329 -50.4003 -169.5391 -49.5172 68.9155 -48.6036 71.4183 -170.1491 0.4948 -179.6505 -179.6068 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0579083418 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2892,-1.5405,-.1981;-1.666,.9743,1.1521;-2.0783,-2.0227,1.155;-2.8447,-2.4462,-1.1848;1.0686,1.9725,1.2633;-1.4116,-.0547,-2.6075;2.9613,-1.8628,1.5291;5.1891,.5945,-1.5066;-.7686,-1.0717,-.6847;.7626,.0648,-2.0123;3.0041,.3469,-1.7568;1.8034,-.9354,-.1926;4.1282,-.6904,.045;-3.2632,-.0764,-.1882;-2.8594,1.0392,.5599;-4.4702,-.0873,-.8736;-3.7113,2.1402,.613;-1.2214,2.0826,1.9285;-5.3061,1.0131,-.8125;-4.9194,2.1166,-.0664;.1973,1.8448,2.3605;-.542,-.3447,-1.8143;1.8926,-.1843,-1.2857;2.4148,1.9932,1.6698;2.9476,-1.1464,.4315;4.0866,.058,-1.0422;1.7263,-2.3744,2.0359;6.4164,.3819,-.8071;-4.7621,-.9522,-1.4517;-3.4487,3.0208,1.1813;.0136,-1.2126,-.0349;-1.8506,2.1921,2.8158;-1.2805,3.009,1.35;-6.2478,1.0066,-1.3423;-5.5651,2.9824,-.0084;.4244,2.5941,3.1301;.2957,.8605,2.8395;.899,.6181,-2.8488;3.0369,2.1264,.7853;2.6229,2.8266,2.3516;2.7124,1.0712,2.1825;1.9848,-2.9211,2.9375;1.2559,-3.0551,1.3275;1.0376,-1.5696,2.2957;7.1669,.9348,-1.3638;6.6867,-.6725,-.7861;6.3665,.7666,.2104; 0.000000 2.921555 0.000000 1.451816 3.025188 0.000000 1.450066 4.307060 2.498299 0.000000 5.074580 2.913183 5.086823 6.390067 0.000000 2.963606 3.906178 4.298099 3.130085 5.024402 0.000000 5.536616 5.440802 5.055913 6.435489 4.285103 6.285165 0.000000 7.886319 7.362350 8.169899 8.596015 5.152627 6.723290 4.496319 0.000000 1.663916 2.892304 2.450304 2.539616 4.054342 2.268238 4.408968 6.240641 0.000000 3.896329 4.091259 4.739135 4.472453 3.802985 2.257395 4.592531 4.486639 2.323497 0.000000 5.831802 5.537565 6.318479 6.506695 3.938283 4.514781 3.960045 2.213181 4.170713 2.273543 0.000000 4.137020 4.182243 4.250295 4.987195 3.333948 4.116285 2.272678 3.940822 2.622194 2.322696 2.352177 0.000000 6.477979 6.129378 6.444142 7.295011 4.235163 6.174933 2.222344 2.276811 4.965554 4.016232 2.363532 2.349747 0.000000 1.758539 2.334833 2.645067 2.604735 5.006911 3.046571 6.699571 8.580695 2.731318 4.421974 6.474394 5.138843 7.420504 0.000000 2.748553 1.333842 3.215499 3.897783 4.098142 3.650349 6.575767 8.321372 3.221249 4.547983 6.342417 5.119201 7.216844 1.402595 0.000000 2.706415 3.618549 3.685341 2.881560 6.283881 3.515996 8.009446 9.703922 3.834856 5.357377 7.538740 6.367105 8.668293 1.388027 2.432815 0.000000 4.028394 2.415243 4.504484 5.001881 4.826834 4.525215 7.834937 9.278885 4.545330 5.587026 7.343550 6.365490 8.354194 2.399174 1.393131 2.783483 0.000000 4.334633 1.424327 4.264470 5.730456 2.387204 5.017902 5.763711 7.423501 4.121127 4.851534 5.869315 4.770353 6.313128 3.648324 2.375812 4.807731 2.816593 0.000000 4.000029 4.136644 4.848282 4.261931 6.772484 4.419192 9.061088 10.526425 4.995165 6.258430 8.390146 7.397666 9.625151 2.397957 2.805476 1.383285 2.417833 5.034021 0.000000 4.506635 3.657120 5.166941 5.135631 6.135591 4.845267 8.971411 10.323407 5.270388 6.346803 8.292849 7.384195 9.473721 2.750819 2.407647 2.389694 1.386252 4.201873 1.387052 0.000000 4.918269 2.385355 4.646406 6.343246 1.406849 5.556821 4.698607 6.437026 4.325843 4.754938 5.203286 4.102084 5.219283 4.707663 3.637933 5.998157 4.291652 1.502012 6.406834 5.669631 0.000000 2.663522 3.435485 3.740579 3.180412 4.175590 1.212250 5.075036 5.815689 1.362250 1.381651 3.613360 2.911994 5.038604 3.181305 3.594736 4.047396 4.702212 4.512405 5.054087 5.317430 4.771777 0.000000 4.528653 4.466349 5.010343 5.250552 3.439240 3.561140 3.447098 3.394456 2.868868 1.366322 1.318942 1.329250 2.650464 5.272341 5.242516 6.376784 6.356998 5.016638 7.312904 7.292752 4.504011 2.496469 0.000000 6.172794 4.237805 6.048142 7.451204 1.406388 6.093520 3.897054 4.443216 5.007186 4.472841 3.846990 3.524034 3.574559 6.322576 5.473480 7.628909 6.218319 3.646531 8.169159 7.537953 2.327324 5.133010 3.708005 0.000000 5.289206 5.128552 5.152729 6.152526 3.735035 5.425040 1.310729 3.436750 3.881003 3.494830 2.649942 1.320388 1.323299 6.332721 6.206035 7.605835 7.428076 5.481664 8.621809 8.531475 4.498103 4.226615 2.233321 3.416817 0.000000 6.627059 6.224692 6.867467 7.371214 4.253170 5.717820 3.401100 1.311075 4.997712 3.462677 1.328928 2.630931 1.320551 7.400444 7.195565 8.559660 8.239082 6.410881 9.443952 9.289730 5.467917 4.709832 2.220774 3.727614 2.218071 0.000000 4.670127 4.847933 3.921018 5.592178 4.463754 6.065399 1.429583 5.775320 3.914523 4.823511 4.839716 2.653834 3.545225 5.926443 5.904227 7.217472 7.209311 5.344693 8.309237 8.291823 4.499474 4.908039 3.982079 4.436702 2.360824 4.578457 0.000000 8.936050 8.337487 9.043817 9.690690 5.951085 8.044247 4.736516 1.428557 7.331592 5.789505 3.542196 4.836617 2.666795 9.710139 9.398945 10.896852 10.376783 8.289256 11.739475 11.491672 7.130966 7.068377 4.584179 4.974309 3.987784 2.363915 6.138156 0.000000 2.834260 4.480776 3.891486 2.445330 7.065592 3.656105 8.328556 10.070796 4.068223 5.645422 7.879972 6.685135 9.019210 2.147158 3.410688 1.080517 3.863998 5.759525 2.137058 3.370681 6.852181 4.278959 6.700869 8.362267 7.938788 8.915589 7.502357 11.276254 0.000000 4.904373 2.714296 5.226458 5.987673 4.638088 5.288051 8.065882 9.366042 5.235840 6.055744 7.577645 6.717386 8.513173 3.391551 2.158764 3.863479 1.080447 2.529699 3.384687 2.130096 4.008383 5.361838 6.699861 5.972908 7.670830 8.396641 7.524628 10.403725 4.943971 0.000000 2.331744 3.002117 2.539267 3.318806 3.597699 3.160830 3.399588 5.675971 1.026710 2.470420 3.786798 1.817922 4.148333 3.471633 3.698495 4.698329 5.053376 4.029737 5.818804 5.951475 3.888415 2.056307 2.480375 4.353049 2.971565 4.383856 2.927617 6.643346 4.988288 5.602621 0.000000 4.817443 2.069988 4.535882 6.205413 3.313547 5.886645 6.422671 8.413732 4.906785 5.887598 6.919571 5.672915 7.192442 4.020618 2.726862 5.066489 2.883979 1.093188 5.147353 4.210750 2.126392 5.439214 6.039865 4.421093 6.312904 7.395148 5.852775 9.205638 6.047741 2.431575 4.815961 0.000000 4.910377 2.080344 5.098261 6.215454 2.569026 5.006503 6.462079 7.472900 4.588503 4.913967 5.924193 5.239022 6.681477 3.977023 2.645229 4.970477 2.684551 1.093788 4.986568 4.005575 2.135491 4.669621 5.216514 3.845663 5.999000 6.575448 6.204221 8.414015 5.971817 2.174844 4.627614 1.772267 0.000000 4.844279 5.216873 5.726883 4.850489 7.826328 5.110307 10.064000 11.445420 5.896832 7.104989 9.284567 8.361427 10.604943 3.378201 3.885935 2.139188 3.397344 6.092585 1.080464 2.150474 7.480129 5.882531 8.227160 9.224221 9.609221 10.382148 9.296700 12.690825 2.460891 4.273205 6.770479 6.166866 5.994338 0.000000 5.587859 4.536776 6.209856 6.185028 6.829548 5.764566 9.926638 11.117444 6.316595 7.250314 9.134147 8.347249 10.365896 3.832382 3.379318 3.372044 2.128828 4.840282 2.142863 1.081611 6.333320 6.289827 8.202175 8.214213 9.471381 10.137837 9.275720 12.286382 4.267236 2.428121 6.980063 4.732687 4.494859 2.479777 0.000000 5.961156 3.302442 5.610629 7.396705 2.070335 6.580875 5.372375 6.942578 5.423551 5.740754 5.965483 5.039735 5.833013 5.633943 4.450516 6.868529 4.862732 2.101066 7.133232 6.245196 1.097860 5.832512 5.419834 2.540741 5.257441 6.103459 5.251514 7.503276 7.776230 4.356764 4.967625 2.331501 2.499560 8.187843 6.773130 0.000000 4.655475 2.590102 4.097090 6.082131 2.078022 5.781250 4.029665 6.550100 4.157727 4.938725 5.359579 3.832947 4.990217 4.765593 3.896584 6.115491 4.759362 2.150675 6.688893 6.100818 1.099116 4.879789 4.545183 2.672411 4.105923 5.484754 3.627248 7.140658 6.876216 4.630106 3.555212 2.525919 3.052753 7.766990 6.852914 1.762499 0.000000 4.674413 4.765820 5.645166 5.116127 4.332748 2.418666 5.438190 4.495173 3.212417 1.012181 2.386874 3.207286 4.529235 4.988444 5.091343 5.764296 5.962823 5.427991 6.542633 6.621303 5.397593 2.018384 2.018505 4.960451 4.251016 3.706510 5.787900 5.887752 6.038706 6.396645 3.471848 6.490336 5.300551 7.314152 7.445914 6.314847 5.725330 0.000000 6.540643 4.855824 6.596687 7.706102 2.031387 6.004808 4.058620 3.497275 5.183717 4.153193 3.103218 3.442688 3.110178 6.744700 5.999911 8.000535 6.750410 4.409351 8.567294 8.001817 3.259455 5.066858 3.307239 1.089552 3.293099 2.952953 4.851699 4.123043 8.677940 6.558988 4.578421 5.292873 4.442705 9.590923 8.680828 3.541519 3.651909 4.477932 0.000000 7.049878 4.823320 6.859168 8.378800 2.080799 7.012301 4.772928 5.143231 5.993226 5.489250 4.813878 4.614832 4.467151 7.037335 6.038253 8.318931 6.604252 3.938485 8.727548 7.952237 2.616776 6.117921 4.777963 1.096666 4.424586 4.617972 5.287146 5.508538 9.125967 6.186463 5.368328 4.542022 4.033982 9.779901 8.522749 2.343845 3.085338 5.907056 1.764961 0.000000 6.123975 4.498995 5.794622 7.388648 2.087872 6.420190 3.016069 4.468790 4.993003 4.733945 4.015913 3.239309 3.110678 6.530256 5.803287 7.891154 6.698481 4.069698 8.559754 8.024636 2.637397 5.345083 3.778401 1.096160 2.835272 3.648774 3.586895 4.809578 8.553894 6.539324 4.173180 4.741082 4.515646 9.628709 8.773194 2.907275 2.513215 5.367205 1.780713 1.765814 0.000000 5.477610 5.629328 4.526867 6.367311 5.252544 7.106237 2.014193 6.509722 4.911377 5.908404 5.809902 3.711211 4.235157 6.738201 6.693467 8.013751 7.966506 6.027826 9.093780 9.059191 5.122677 5.966694 5.033218 5.093362 3.218089 5.397255 1.085579 6.676153 8.286218 8.240959 3.954593 6.392879 6.953260 10.075560 10.026443 5.734893 4.142787 6.869174 5.587121 5.812576 4.127648 0.000000 4.146005 4.980402 3.494645 4.847481 5.031508 5.621663 2.090561 6.068057 3.475901 4.596911 4.913524 2.665274 3.935295 5.620757 5.855645 6.814747 7.223263 5.735382 8.011898 8.174626 5.118318 4.522151 3.933891 5.190929 2.703259 4.829036 1.089201 6.557447 6.954357 7.685854 2.606545 6.276792 6.573227 8.940383 9.206663 5.987849 4.305808 5.573297 5.505797 6.124670 4.458496 1.772297 0.000000 4.157815 3.884406 3.348937 5.287274 3.689574 5.686405 2.091361 6.031130 3.520419 4.615770 4.895129 2.679524 3.922994 5.186199 5.000557 6.525121 6.256727 4.310075 7.521589 7.392825 3.516896 4.570277 3.933934 3.870632 2.702224 4.804840 1.090638 6.508939 6.932616 6.514703 2.570486 4.770983 5.218374 8.540982 8.344187 4.290518 2.598348 5.592020 4.465252 4.673577 3.129056 1.770731 1.786549 0.000000 9.843928 9.184260 10.028144 10.568649 6.720696 8.724509 5.820911 2.011973 8.213382 6.495579 4.222481 5.799730 3.722876 10.544699 10.209666 11.692137 11.121826 9.084066 12.485427 12.213077 7.954468 7.827370 5.392335 5.736288 5.035587 3.218771 7.218661 1.085759 12.077646 11.113943 7.585951 10.018154 9.111763 13.414861 12.966572 8.271004 8.055181 6.449172 4.805714 6.166884 5.695354 7.760379 7.622486 7.565138 0.000000 9.036836 8.731262 9.078226 9.703222 6.539032 8.323570 4.544825 2.089823 7.466644 6.094416 3.942484 4.926250 2.690117 9.985593 9.791240 11.172502 10.862141 8.803261 12.110687 11.958209 7.638702 7.308810 4.844732 5.602334 3.960746 2.712847 5.955251 1.088766 11.471506 10.965276 6.736851 9.698611 9.032790 13.054809 12.808905 8.076091 7.505917 6.278339 4.860416 6.213106 5.258082 6.405352 6.295768 6.497157 1.774276 0.000000 8.967149 8.090129 8.943482 9.854729 5.534475 8.313511 4.499804 2.089035 7.422296 6.069317 3.918186 4.886842 2.675858 9.674704 9.236493 10.924155 10.178908 7.890499 11.719928 11.369747 6.621491 7.284378 4.812349 4.387483 3.923935 2.696139 5.893195 1.088957 11.382553 10.117421 6.658545 8.737236 8.050002 12.711714 12.137519 6.868232 6.616254 6.266905 3.642171 4.779364 4.163424 6.343140 6.478519 6.180816 1.774008 1.779510 0.000000 C15H19N5O7S 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 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2439,-1.4573,.8089;-1.7534,1.3977,.43;-2.0197,-1.0521,2.1849;-2.7477,-2.7914,.5459;.9286,2.3925,-.1213;-1.4221,-1.615,-2.0341;3.0033,-.4842,2.2833;5.1311,-.1586,-1.6642;-.7444,-1.2935,.1065;.7394,-1.0765,-1.6682;2.9626,-.6008,-1.6748;1.8143,-.7839,.3699;4.1227,-.3452,.3685;-3.2879,-.3054,-.0129;-2.9442,1.0536,-.0626;-4.4879,-.7659,-.5368;-3.8489,1.9412,-.6408;-1.3688,2.7689,.4067;-5.3768,.1266,-1.1085;-5.0496,1.4738,-1.1524;.0566,2.8894,.8645;-.5452,-1.3508,-1.2398;1.8748,-.8065,-.9578;2.2692,2.7047,.167;2.9629,-.542,.9745;4.0527,-.3722,-.9499;1.791,-.6586,3.0206;6.3622,.1296,-.9993;-4.7333,-1.8175,-.4972;-3.6336,2.9985,-.6968;.039,-.9955,.6994;-2.0089,3.3468,1.0785;-1.4686,3.1818,-.6013;-6.3131,-.2283,-1.5144;-5.7369,2.1823,-1.5945;.2415,3.9556,1.0494;.1993,2.3732,1.8244;.8548,-1.1082,-2.6733;2.8906,2.3252,-.6436;2.4317,3.7873,.232;2.6075,2.2674,1.1135;2.0692,-.5664,4.0659;1.3594,-1.6442,2.8511;1.0622,.116,2.7791;7.089,.2873,-1.7903;6.6832,-.7026,-.3748;6.2863,1.032,-.3946; 0.3158173 0.1090348 0.1028972 -89.09614 -19.18771 -19.18471 -19.17420 -19.14221 -19.14172 -19.13630 -19.12500 -14.37866 -14.36948 -14.33351 -14.32707 -14.32602 -10.34356 -10.32708 -10.32305 -10.31657 -10.26493 -10.22798 -10.22158 -10.22002 -10.21876 -10.21797 -10.20466 -10.19815 -10.19063 -10.18488 -10.17948 -8.15758 -6.12088 -6.11997 -6.11822 -1.15952 -1.13553 -1.12171 -1.10186 -1.10049 -1.05127 -1.04665 -1.04218 -0.98206 -0.95369 -0.92149 -0.91095 -0.88541 -0.80394 -0.78778 -0.76266 -0.75266 -0.75001 -0.72304 -0.69994 -0.68869 -0.66364 -0.64500 -0.64342 -0.61997 -0.60952 -0.59993 -0.59027 -0.57584 -0.55742 -0.54302 -0.53396 -0.52881 -0.52376 -0.51543 -0.51321 -0.50548 -0.49030 -0.48940 -0.48539 -0.48067 -0.47249 -0.46735 -0.46703 -0.46217 -0.45080 -0.44990 -0.44397 -0.44040 -0.41613 -0.41029 -0.40325 -0.39554 -0.39111 -0.38754 -0.38485 -0.37990 -0.37274 -0.37066 -0.36774 -0.36279 -0.35762 -0.34440 -0.34271 -0.33863 -0.33335 -0.31872 -0.31563 -0.31344 -0.30589 -0.30007 -0.29638 -0.28770 -0.27874 -0.27120 -0.24695 -0.05439 -0.04644 -0.03151 -0.01771 0.00108 0.00910 0.01320 0.01578 0.01981 0.02092 0.02981 0.03192 0.03376 0.03754 0.04097 0.04288 0.04785 0.04882 0.05060 0.05828 0.06131 0.06268 0.06604 0.07273 0.07341 0.07526 0.07755 0.08170 0.08320 0.08634 0.08872 0.09023 0.09462 0.09597 0.10175 0.10618 0.10886 0.11190 0.11266 0.11644 0.11855 0.12331 0.12520 0.12725 0.13271 0.13591 0.13869 0.14385 0.14499 0.14584 0.14926 0.15186 0.15387 0.15458 0.16098 0.16371 0.16670 0.16837 0.16956 0.17246 0.17629 0.18118 0.18189 0.18580 0.18732 0.18806 0.19220 0.19420 0.19945 0.20337 0.20431 0.20756 0.20892 0.21111 0.21398 0.21568 0.21922 0.22144 0.22192 0.22286 0.22642 0.23066 0.23296 0.23560 0.23731 0.23934 0.24218 0.24485 0.24782 0.24963 0.25063 0.25245 0.25571 0.25657 0.26091 0.26325 0.26648 0.26819 0.27076 0.27300 0.27653 0.27695 0.28331 0.28525 0.28657 0.28985 0.29103 0.29358 0.29629 0.30278 0.30436 0.30654 0.30958 0.31486 0.31609 0.31759 0.32084 0.32258 0.32525 0.32908 0.33135 0.33271 0.33463 0.33797 0.34366 0.34717 0.34773 0.35141 0.35479 0.35567 0.35882 0.36599 0.36875 0.37211 0.37397 0.37585 0.38405 0.38474 0.38700 0.39038 0.39178 0.39887 0.40586 0.40939 0.41512 0.41756 0.42170 0.43377 0.43490 0.44228 0.44452 0.45103 0.45445 0.45688 0.46437 0.46811 0.47366 0.47980 0.48775 0.48894 0.49796 0.50142 0.50372 0.51050 0.52060 0.52893 0.53170 0.53696 0.54347 0.54471 0.55217 0.55364 0.55854 0.55991 0.56604 0.57366 0.57782 0.58070 0.58348 0.59424 0.60063 0.60571 0.60910 0.61344 0.61778 0.62002 0.62771 0.63496 0.63885 0.63907 0.64680 0.65353 0.65987 0.66589 0.66958 0.68010 0.68269 0.68711 0.69326 0.69632 0.70070 0.70965 0.71633 0.71870 0.72346 0.72717 0.73393 0.73655 0.74069 0.74542 0.74794 0.75394 0.76016 0.76458 0.77517 0.77968 0.78237 0.78902 0.79559 0.79910 0.80704 0.81447 0.81838 0.82185 0.83287 0.84637 0.84919 0.85719 0.86014 0.86677 0.87302 0.89038 0.89409 0.90112 0.90468 0.90777 0.92351 0.93370 0.93875 0.94591 0.94972 0.95245 0.95509 0.96223 0.97053 0.97229 0.98047 0.98586 0.98955 0.99800 1.00107 1.00243 1.01091 1.01924 1.02496 1.02862 1.03749 1.03872 1.04564 1.05699 1.05866 1.06501 1.07426 1.07775 1.09087 1.09895 1.10098 1.10638 1.10856 1.11137 1.11971 1.12842 1.13632 1.14216 1.14638 1.15747 1.16378 1.16760 1.17302 1.18035 1.18793 1.19649 1.21003 1.21178 1.22546 1.23239 1.23483 1.24241 1.24931 1.26070 1.26343 1.27644 1.28366 1.28667 1.29024 1.30315 1.31274 1.31688 1.32368 1.32856 1.33744 1.34762 1.35040 1.36119 1.36877 1.38370 1.38545 1.39227 1.40643 1.41095 1.41608 1.43234 1.44797 1.45563 1.47320 1.49306 1.49612 1.51144 1.52227 1.52388 1.53515 1.54814 1.55177 1.55522 1.56206 1.56906 1.57175 1.57626 1.58049 1.58414 1.59171 1.60353 1.60874 1.61545 1.62202 1.62609 1.63577 1.64089 1.65238 1.65971 1.66600 1.66698 1.67375 1.67763 1.68362 1.69153 1.69692 1.70713 1.71155 1.71771 1.72410 1.72794 1.73292 1.73731 1.74702 1.75167 1.75228 1.75922 1.76922 1.77443 1.78318 1.78495 1.79999 1.80099 1.81427 1.82160 1.84110 1.84592 1.85039 1.85965 1.87374 1.87798 1.88334 1.90119 1.90281 1.91272 1.91740 1.92573 1.93097 1.94489 1.95277 1.96608 1.97665 1.98826 1.99747 2.01103 2.01854 2.03119 2.03999 2.06157 2.06291 2.06374 2.07720 2.08924 2.10869 2.11569 2.12078 2.12644 2.13613 2.14737 2.15466 2.16396 2.17082 2.18182 2.20281 2.20837 2.21541 2.22616 2.23767 2.25163 2.25376 2.26310 2.27499 2.28303 2.28751 2.30854 2.31178 2.33049 2.34200 2.35934 2.37161 2.38268 2.40999 2.43543 2.44021 2.44850 2.45130 2.46109 2.49382 2.49953 2.51336 2.51643 2.52166 2.52833 2.53261 2.53466 2.53824 2.54512 2.56854 2.57096 2.57907 2.58302 2.59519 2.59795 2.61573 2.62088 2.64504 2.66679 2.67176 2.67859 2.69967 2.70594 2.70861 2.71717 2.72909 2.73745 2.74489 2.74765 2.75173 2.75472 2.76362 2.77103 2.78022 2.78514 2.79888 2.81032 2.81351 2.81785 2.81981 2.83226 2.83496 2.84045 2.84775 2.85058 2.85704 2.86203 2.86908 2.87494 2.88411 2.89488 2.89844 2.90760 2.91267 2.91423 2.92133 2.93576 2.95090 2.95678 2.96701 2.97361 2.98652 3.00513 3.02744 3.03343 3.04383 3.06290 3.06484 3.07781 3.08483 3.09535 3.10726 3.12666 3.13272 3.14034 3.15761 3.17981 3.20668 3.21453 3.22686 3.23350 3.24995 3.26483 3.27621 3.27883 3.28178 3.30946 3.34229 3.34942 3.36250 3.37608 3.39944 3.40973 3.41488 3.42780 3.45044 3.50089 3.52682 3.54799 3.56684 3.57661 3.59713 3.62030 3.65773 3.68363 3.69945 3.72504 3.76136 3.78561 3.79062 3.79881 3.81036 3.81335 3.82821 3.83095 3.85815 3.86298 3.92134 3.94904 3.95628 3.97416 3.99921 4.00403 4.02185 4.03425 4.03875 4.04437 4.07950 4.11600 4.12517 4.13449 4.16970 4.20082 4.25584 4.32465 4.40106 4.40968 4.49440 4.55228 4.70747 4.79172 4.85056 4.96363 5.00392 5.02544 5.03954 5.04256 5.07643 5.09134 5.09387 5.10869 5.12233 5.14490 5.17382 5.22984 5.29137 5.32929 5.34821 5.41562 5.43878 5.46290 5.50116 5.70927 5.79920 5.84829 5.85518 5.89668 8.23490 17.39492 17.44942 17.59980 23.59606 23.85616 23.88142 23.88334 23.91480 23.92045 23.92971 23.93790 23.94134 23.95413 23.95990 23.96342 24.06377 24.10400 24.20556 35.54862 35.60222 35.66715 35.74201 35.75158 49.88634 49.94115 49.94207 49.95087 49.98829 49.99438 50.04244 189.35410 1-A. 4.1785 10.1939 1.2736 11.0904 -142.6460 -161.8337 -179.2530 -20.0675 10.3223 2.2505 18.5982 -0.5894 -18.0088 -20.0675 10.3223 2.2505 70.3117 113.1626 40.7963 28.4871 86.7502 -74.6453 22.7394 16.0651 13.0686 2.9291 -8195.8805 -2442.3338 -1778.4660 -15.6226 50.5115 -183.0388 38.2409 71.3962 -15.5158 -2050.8526 -2172.3187 -737.7329 -60.3105 37.0644 -46.5371 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2574,-1.5315,-.2656;-1.7224,.9721,1.2161;-2.015,-2.0783,1.0747;-2.7945,-2.4288,-1.2913;.9807,2.0049,1.3357;-1.3539,.079,-2.6575;2.9842,-1.7589,1.5717;5.3295,.4852,-1.6083;-.727,-1.0103,-.7416;.8335,.1412,-2.0552;3.1124,.3319,-1.8324;1.8579,-.8591,-.2094;4.2116,-.6998,.0176;-3.2907,-.0849,-.1936;-2.9225,1.0213,.5997;-4.4954,-.1122,-.8954;-3.8151,2.0955,.6834;-1.3058,2.0949,2.0263;-5.3669,.966,-.8062;-5.0205,2.0588,-.0127;.1157,1.8584,2.4594;-.4865,-.2508,-1.8592;1.9747,-.1418,-1.3328;2.3561,1.9072,1.6998;3.0016,-1.0892,.4276;4.1935,.0134,-1.1056;1.6966,-2.1656,2.108;6.5703,.2205,-.908;-4.7407,-.9709,-1.5057;-3.5744,2.9573,1.2892;.0459,-1.1501,-.0746;-1.9576,2.1702,2.9009;-1.3699,3.0152,1.4403;-6.3037,.9501,-1.3483;-5.6956,2.9029,.0686;.3649,2.5995,3.2305;.2253,.8567,2.8951;.9711,.6869,-2.8989;2.9399,1.9653,.7811;2.6436,2.7323,2.3637;2.5647,.9593,2.209;1.9322,-2.6574,3.0485;1.2068,-2.8615,1.4269;1.068,-1.2917,2.2811;7.335,.7078,-1.5084;6.7554,-.8522,-.8551;6.5402,.6521,.0924; 0.000000 2.957973 0.000000 1.467692 3.067687 0.000000 1.464768 4.359147 2.515546 0.000000 5.055213 2.896093 5.070985 6.388270 0.000000 3.021764 3.992204 4.361200 3.198583 5.010424 0.000000 5.558893 5.453101 5.033976 6.483648 4.270349 6.331051 0.000000 7.964318 7.612010 8.228698 8.636558 5.467061 6.777384 4.544073 0.000000 1.685286 2.958570 2.469461 2.566810 4.040144 2.291365 4.436696 6.298325 0.000000 3.943911 4.233729 4.778770 4.511195 3.872108 2.269687 4.624888 4.531148 2.342439 0.000000 5.895945 5.751397 6.367969 6.542608 4.168970 4.548927 3.996940 2.233592 4.211051 2.297680 0.000000 4.170295 4.266601 4.258548 5.027861 3.370353 4.145964 2.291328 3.976871 2.643510 2.336009 2.371992 0.000000 6.528429 6.280455 6.464445 7.334037 4.414972 6.223958 2.245775 2.301589 5.006310 4.051571 2.386449 2.369973 0.000000 1.779245 2.358828 2.685120 2.635368 4.995045 3.138277 6.729998 8.754085 2.780172 4.530593 6.622676 5.206582 7.530488 0.000000 2.776321 1.350078 3.264509 3.936408 4.091920 3.735955 6.600246 8.559065 3.278217 4.683047 6.543000 5.200312 7.361869 1.410140 0.000000 2.723964 3.650208 3.728219 2.901153 6.280717 3.606999 8.046287 9.868811 3.877018 5.459593 7.678191 6.433810 8.774507 1.394507 2.448319 0.000000 4.059837 2.434201 4.562291 5.040867 4.840746 4.613551 7.866100 9.563870 4.605754 5.738377 7.578260 6.458329 8.525570 2.407930 1.399150 2.798121 0.000000 4.394256 1.445956 4.338771 5.804011 2.390187 5.099389 5.784720 7.734895 4.199868 5.005265 6.125270 4.871762 6.502913 3.690441 2.408653 4.856085 2.846017 0.000000 4.024811 4.168027 4.903171 4.286926 6.779295 4.507613 9.100572 10.737210 5.043715 6.378597 8.564761 7.475708 9.757193 2.406301 2.820412 1.389247 2.429568 5.078390 0.000000 4.537526 3.683555 5.227938 5.169982 6.151024 4.935441 9.008891 10.589826 5.327767 6.489939 8.511089 7.474364 9.635538 2.760480 2.419300 2.401702 1.392446 4.237647 1.394216 0.000000 4.954659 2.389530 4.685661 6.396601 1.425562 5.613184 4.701195 6.753892 4.380174 4.883187 5.452528 4.188382 5.411421 4.734797 3.659221 6.033284 4.319885 1.504733 6.443561 5.703671 0.000000 2.704744 3.532694 3.779366 3.223794 4.177060 1.224081 5.107906 5.867735 1.372517 1.390920 3.645921 2.930587 5.079036 3.265759 3.687566 4.125438 4.800933 4.611997 5.138861 5.413028 4.843672 0.000000 4.580504 4.626634 5.046192 5.289372 3.566070 3.589325 3.474159 3.423929 2.898856 1.379946 1.329805 1.337966 2.671829 5.387562 5.391645 6.484975 6.526252 5.200768 7.443417 7.451071 4.672990 2.519271 0.000000 6.080430 4.212150 5.948272 7.367181 1.426134 6.007615 3.721754 4.669734 4.896704 4.420027 3.940798 3.397858 3.615153 6.280093 5.464290 7.599745 6.257129 3.681219 8.173772 7.574268 2.366158 5.040167 3.679649 0.000000 5.322880 5.214055 5.153968 6.192191 3.805539 5.463745 1.325776 3.470255 3.908408 3.518308 2.671965 1.329139 1.335654 6.402166 6.291162 7.675298 7.528266 5.590023 8.705076 8.628899 4.598353 4.254308 2.247431 3.318672 0.000000 6.686323 6.427065 6.904727 7.404803 4.499817 5.760760 3.430979 1.328756 5.039095 3.493918 1.341036 2.649431 1.330665 7.540255 7.386590 8.692400 8.466006 6.662154 9.612471 9.501400 5.722035 4.747687 2.235794 3.851319 2.233232 0.000000 4.655110 4.725461 3.853750 5.638589 4.301406 6.087141 1.452899 5.833987 3.915156 4.837170 4.875326 2.665194 3.583827 5.873682 5.810992 7.181807 7.110937 5.212838 8.257904 8.213559 4.337697 4.916383 4.001505 4.146043 2.384401 4.616304 0.000000 9.022815 8.593361 9.106271 9.739883 6.281948 8.116277 4.788276 1.449213 7.402309 5.850901 3.581057 4.884699 2.695778 9.891625 9.645132 11.070771 10.672635 8.611484 11.960971 11.769833 7.462204 7.136253 4.629398 5.235027 4.029301 2.393983 6.208332 0.000000 2.831728 4.504846 3.913296 2.441101 7.047168 3.728135 8.352489 10.175361 4.085917 5.710549 7.967118 6.725659 9.085017 2.146885 3.421617 1.081695 3.879701 5.802840 2.152544 3.389239 6.878330 4.329098 6.768578 8.301957 7.980848 8.997143 7.478252 11.389259 0.000000 4.929588 2.715927 5.275890 6.023004 4.653771 5.365691 8.083119 9.684262 5.288976 6.208458 7.832647 6.805914 8.695586 3.396118 2.155982 3.878442 1.080516 2.536402 3.401287 2.143198 4.024125 5.453297 6.875386 6.036684 7.769140 8.645312 7.395790 10.734657 4.960085 0.000000 2.342509 3.049042 2.535767 3.344128 3.580042 3.184538 3.422581 5.739499 1.030440 2.492055 3.832671 1.840156 4.190973 3.504613 3.739189 4.730239 5.100618 4.095319 5.857693 5.997509 3.934121 2.068052 2.513917 4.222847 2.998619 4.429352 2.918853 6.718688 4.999168 5.642460 0.000000 4.880451 2.080683 4.624735 6.278910 3.333270 5.969282 6.451831 8.733487 4.989730 6.039051 7.175577 5.780044 7.389869 4.054376 2.747050 5.105036 2.893590 1.093350 5.178353 4.228736 2.142637 5.539235 6.223509 4.485541 6.429196 7.651163 5.725499 9.541251 6.085209 2.414730 4.887979 0.000000 4.936660 2.085430 5.147277 6.255261 2.560665 5.041145 6.462816 7.783114 4.623761 5.033285 6.164616 5.305758 6.854160 3.996215 2.663250 5.000516 2.719850 1.092910 5.022155 4.043845 2.140996 4.725860 5.370572 3.895913 6.081290 6.815010 6.057291 8.739160 5.994205 2.210393 4.652946 1.786854 0.000000 4.868588 5.250269 5.782300 4.871842 7.834453 5.193593 10.105922 11.645372 5.942300 7.217661 9.448837 8.437002 10.731290 3.388594 3.902858 2.145542 3.410735 6.138213 1.082457 2.158664 7.518804 5.961780 8.350145 9.230325 9.690260 10.541743 9.255182 12.902229 2.481581 4.293524 6.808180 6.199384 6.031876 0.000000 5.621076 4.564111 6.274642 6.220322 6.854506 5.852861 9.966425 11.410926 6.376232 7.400493 9.370450 8.443082 10.542069 3.844303 3.392974 3.385299 2.136835 4.873946 2.150492 1.083865 6.370065 6.387201 8.370625 8.275350 9.576346 10.369298 9.192007 12.593734 4.289153 2.447904 7.029403 4.746646 4.539336 2.488147 0.000000 6.013691 3.326122 5.673973 7.464033 2.079165 6.631364 5.348660 7.247830 5.477276 5.848201 6.190630 5.101359 6.000459 5.682771 4.496551 6.928163 4.920779 2.120376 7.198402 6.309772 1.098159 5.895226 5.561401 2.605220 5.330557 6.336229 5.073461 7.829069 7.826023 4.406216 5.008521 2.384800 2.527306 8.255699 6.842451 0.000000 4.675183 2.574076 4.116713 6.118746 2.078648 5.824923 4.025454 6.817003 4.197397 5.038613 5.564225 3.904797 5.156919 4.773787 3.899335 6.131253 4.769820 2.152326 6.707055 6.117098 1.097904 4.933197 4.683198 2.659486 4.193199 5.697709 3.452334 7.424850 6.882460 4.629163 3.588711 2.547656 3.052985 7.787384 6.872621 1.780304 0.000000 4.720041 4.926373 5.687948 5.145068 4.434956 2.415246 5.479088 4.549908 3.227757 1.014191 2.418425 3.226469 4.574937 5.106602 5.245178 5.876664 6.142003 5.605735 6.680425 6.790562 5.551126 2.021139 2.036362 4.955276 4.282880 3.748794 5.807939 5.960921 6.108471 6.584493 3.493852 6.664433 5.452509 7.442885 7.626357 6.449390 5.844285 0.000000 6.350990 4.786706 6.402214 7.515695 2.036622 5.815357 3.807431 3.689157 4.961776 3.976014 3.086772 3.182574 3.050064 6.631284 5.940699 7.900053 6.756951 4.426458 8.515969 8.000452 3.286969 4.860289 3.136807 1.090020 3.075483 2.990130 4.513404 4.367768 8.534750 6.608947 4.337388 5.340550 4.484599 9.539902 8.715431 3.610035 3.614872 4.364943 0.000000 7.008095 4.845345 6.819609 8.340780 2.085991 6.944914 4.573244 5.295273 5.917037 5.432936 4.856845 4.487341 4.443229 7.049304 6.084493 8.347399 6.704009 4.014745 8.794139 8.052307 2.676433 6.043933 4.729833 1.097394 4.298907 4.672304 4.995226 5.694940 9.122169 6.314171 5.269403 4.666513 4.128102 9.849372 8.650951 2.441630 3.106274 5.888588 1.783441 0.000000 5.964930 4.400576 5.611398 7.242353 2.089282 6.309724 2.823260 4.737135 4.839495 4.674349 4.126326 3.107186 3.204251 6.414730 5.718675 7.786595 6.657340 4.037828 8.485416 7.979995 2.620827 5.227257 3.755577 1.096094 2.749645 3.812390 3.244835 5.129011 8.419810 6.521227 4.001086 4.732507 4.505459 9.555282 8.751644 2.927948 2.440120 5.357633 1.786521 1.781525 0.000000 5.459227 5.466858 4.451002 6.420783 5.057276 7.130486 2.023614 6.565309 4.914102 5.923384 5.843964 3.721978 4.267844 6.663899 6.564868 7.959061 7.824001 5.840761 9.014681 8.941652 4.903003 5.977186 5.052274 4.778576 3.236036 5.431737 1.087139 6.741595 8.252959 8.058661 3.947601 6.201468 6.757903 10.008760 9.898431 5.488618 3.909709 6.890528 5.246515 5.479482 3.766367 0.000000 4.078480 4.829139 3.334281 4.856505 4.872457 5.646729 2.096583 6.116292 3.445069 4.613042 4.944897 2.666635 3.960813 5.528401 5.728128 6.742941 7.095341 5.589156 7.927817 8.066035 4.953167 4.525612 3.949963 4.912817 2.713080 4.857917 1.089947 6.611967 6.895397 7.532357 2.555564 6.124035 6.416813 8.867771 9.094803 5.812413 4.116267 5.599920 5.168970 5.850874 4.129633 1.788094 0.000000 4.195379 3.747653 3.402812 5.382661 3.430548 5.668622 2.096021 6.036939 3.526674 4.572871 4.871993 2.648300 3.918690 5.155454 4.909283 6.514064 6.153871 4.143571 7.485755 7.318257 3.295723 4.543282 3.899246 3.497157 2.686092 4.789773 1.090354 6.537040 6.941393 6.370957 2.571752 4.639303 5.019957 8.517029 8.260458 4.066595 2.388023 5.545823 4.044967 4.322291 2.704119 1.789124 1.792513 0.000000 9.928439 9.461993 10.092501 10.606243 7.081622 8.787092 5.873824 2.020355 8.278701 6.548991 4.251656 5.843048 3.750437 10.736096 10.476608 11.874668 11.447902 9.438352 12.723985 12.518858 8.317805 7.887881 5.430061 6.043244 5.075069 3.242448 7.288843 1.087531 12.191810 11.484840 7.657570 10.389132 9.476029 13.641838 13.307982 8.638182 8.364319 6.514094 5.112739 6.410996 6.052967 7.828241 7.675377 7.591713 0.000000 9.057611 8.915787 9.063572 9.689006 6.805198 8.359268 4.575322 2.095120 7.485004 6.123409 3.953340 4.939887 2.693645 10.097130 9.964399 11.275263 11.081160 9.053844 12.258092 12.159653 7.900587 7.335952 4.856784 5.787576 3.974026 2.715813 6.008049 1.089877 11.515112 11.216745 6.761300 9.957909 9.286960 13.192178 13.037735 8.333376 7.721866 6.324954 5.017337 6.333745 5.498394 6.462225 6.327081 6.509651 1.787916 0.000000 9.071582 8.344741 9.033906 9.926837 5.855251 8.378935 4.543822 2.094318 7.501427 6.118733 3.944224 4.929306 2.693571 9.862631 9.483455 11.106055 10.472054 8.208608 11.945099 11.646433 6.952083 7.348361 4.848165 4.654616 3.958044 2.711077 5.955030 1.089999 11.508489 10.442709 6.741722 9.077713 8.364854 12.927881 12.441086 7.195394 6.911931 6.321692 3.893659 4.966786 4.514264 6.397266 6.524645 6.205905 1.788190 1.790830 0.000000 C15H19N5O7S 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 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2082,-1.3742,.9937;-1.8494,1.4638,.241;-1.9651,-.7906,2.3182;-2.6704,-2.7624,.9245;.7873,2.4233,-.4764;-1.3445,-1.8965,-1.8545;2.9955,.0655,2.3164;5.2799,-.493,-1.5718;-.6996,-1.2622,.2508;.8219,-1.3026,-1.5297;3.0808,-.8835,-1.5653;1.86,-.6336,.4531;4.1952,-.2293,.441;-3.3234,-.3669,.0411;-3.0363,.9929,-.1974;-4.5086,-.9525,-.4028;-3.9901,1.7554,-.8805;-1.5155,2.8501,.0013;-5.4417,-.182,-1.0853;-5.1757,1.1674,-1.3135;-.0928,3.0717,.4386;-.4778,-1.5115,-1.0806;1.9609,-.9234,-.8492;2.1576,2.6905,-.1853;3.0004,-.278,1.0359;4.1617,-.5294,-.855;1.7215,.0902,3.0144;6.5179,-.1112,-.9223;-4.691,-2.0019,-.2148;-3.8123,2.8035,-1.0737;.0649,-.8427,.7996;-2.1899,3.4885,.5784;-1.6186,3.0746,-1.0633;-6.3638,-.6311,-1.4316;-5.8993,1.779,-1.8399;.0966,4.1533,.4471;.0637,2.6858,1.4545;.947,-1.5126,-2.514;2.7575,2.1103,-.8864;2.3829,3.7569,-.3127;2.4083,2.4001,.8415;1.9636,.4276,4.0191;1.2873,-.9092,3.0429;1.0406,.7906,2.53;7.2669,-.1541,-1.7096;6.7624,-.8149,-.1267;6.441,.9011,-.5256; 0.3135691 0.1063455 0.1000682 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= 757 757 757 757 757 MxSgAt= 47 MxSgA2= 47. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 738 RedAO= T EigKep= 1.99D-06 NBF= 738 NBsUse= 736 1.00D-06 EigRej= 8.59D-07 NBFU= 736 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= 757 757 757 757 757 MxSgAt= 47 MxSgA2= 47. 1 1.64396633e+00 4.01057661e+00 5.01058474e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 16 8 8 8 8 8 8 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.001877778 0.008919000 -0.002408794 0.009025725 -0.005127349 0.002123120 0.003210573 -0.008061297 0.016136767 -0.006237429 -0.012179256 -0.010222672 -0.002913897 0.001289462 -0.008467960 -0.012486770 0.005863732 -0.013925662 0.007334283 -0.005056973 0.009540180 0.007181963 0.007872439 -0.009506916 0.003998017 -0.003814659 0.002464155 -0.002681062 0.003594824 -0.005525620 0.000834723 0.006813690 -0.010610695 -0.008985038 -0.003847173 0.002901866 0.011021102 -0.002546949 0.005241305 -0.003652136 0.000506682 -0.000623909 -0.005341272 0.001586058 -0.003250000 -0.003653385 -0.003736355 -0.003018981 -0.000529672 0.005192526 0.002669648 0.002571640 0.009011024 0.006588903 -0.003772223 0.000166565 -0.002556368 -0.002746220 0.003744639 0.000455676 -0.008272171 -0.001199071 0.011310098 0.007723649 -0.001649126 0.005150414 0.000283816 -0.000565913 0.000290355 0.016246132 0.000943898 0.001821757 -0.001716604 0.001884169 -0.001660099 -0.003309848 -0.001634594 0.002472628 -0.011050181 -0.004908622 0.006693952 0.011528563 -0.000578757 0.004850246 0.001147934 -0.001372242 -0.000222447 0.001012330 -0.000694421 0.000303433 0.001992609 -0.000761263 0.002556825 -0.001487170 -0.001134529 0.000416848 0.000767953 -0.000926523 -0.001646385 -0.001255820 -0.000091346 -0.000776857 -0.001061355 0.001302385 0.000080487 0.001452426 0.001654518 -0.000470371 0.000654718 -0.001452668 -0.002153120 -0.000678446 0.000777343 -0.001553124 -0.000519123 -0.001285482 -0.001646649 -0.002004507 0.001828215 0.000870257 -0.001733385 -0.002101304 -0.000476919 0.001984891 -0.000675743 0.001151446 0.000319791 0.000313569 -0.002281345 0.000571506 0.002061713 -0.001649135 0.000319162 0.001154583 -0.001751171 -0.001342842 -0.001780160 -0.000655771 -0.001875172 0.000700740 0.000970603 0.016246132 0.004986331 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1782.01857366010 -1782.01857761084 -0.000003950739 -1782.01857756367 0.000000047171 -1782.01857767282 -0.000000109159 -1782.01857767389 -0.000000001066 -1782.01857767474 -0.000000000847 -1782.01857767470 0.000000000034 -1782.01857767473 -0.000000000029 -1782.01857767 8 1.776106931701e+03 -1.038057579447e+04 3.723367770545e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323432871 LenY= 11322845349 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) PT80103.700S 2022-03-16T20:57:54.000 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 S O O O O O O O N N N N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.961622 -0.075887 -0.358765 -0.130742 -0.162188 -0.324624 -0.153355 -0.090176 -0.534223 -0.479451 -0.318643 -0.202329 -0.165997 -0.316587 0.369393 -0.096222 -0.151803 -0.099613 -0.496990 -0.505016 -0.437839 0.237113 -0.129723 -0.298118 0.153716 0.241378 -0.277199 -0.195394 0.193244 0.189797 0.478478 0.203877 0.204950 0.170721 0.178702 0.184823 0.176312 0.422437 0.175468 0.155690 0.163048 0.192207 0.192808 0.192894 0.191697 0.184564 0.185943 -0.00000 -89.09995 -19.18766 -19.18442 -19.17397 -19.14510 -19.14417 -19.13440 -19.12697 -14.38132 -14.37364 -14.33706 -14.33183 -14.33085 -10.34781 -10.33068 -10.32720 -10.32089 -10.26859 -10.23043 -10.22538 -10.22342 -10.22209 -10.21970 -10.20587 -10.20180 -10.19408 -10.18818 -10.18315 -8.16053 -6.12392 -6.12291 -6.12123 -1.15147 -1.12555 -1.11108 -1.09413 -1.09143 -1.04049 -1.03946 -1.03657 -0.97671 -0.94890 -0.91806 -0.90760 -0.88322 -0.80112 -0.78621 -0.75756 -0.75130 -0.74494 -0.72100 -0.69803 -0.68580 -0.66181 -0.64373 -0.64136 -0.61549 -0.60762 -0.60039 -0.58706 -0.57283 -0.55505 -0.53951 -0.53018 -0.52544 -0.51931 -0.51222 -0.50839 -0.50308 -0.48773 -0.48603 -0.48353 -0.47829 -0.47105 -0.46514 -0.46306 -0.45835 -0.45126 -0.44734 -0.44153 -0.43856 -0.41657 -0.40930 -0.40386 -0.39591 -0.39139 -0.38774 -0.38428 -0.37958 -0.37506 -0.37289 -0.36903 -0.36218 -0.35640 -0.34432 -0.34204 -0.33767 -0.33278 -0.31938 -0.31585 -0.31342 -0.30713 -0.30183 -0.29634 -0.28790 -0.27984 -0.27140 -0.24813 -0.05780 -0.05039 -0.03573 -0.02069 0.00036 0.00789 0.00988 0.01583 0.01803 0.01935 0.02850 0.03012 0.03200 0.03564 0.03790 0.04218 0.04352 0.04785 0.04907 0.05462 0.06000 0.06084 0.06484 0.06823 0.07078 0.07430 0.07602 0.07983 0.08317 0.08368 0.08656 0.08827 0.09173 0.09441 0.10052 0.10355 0.10554 0.10990 0.11250 0.11435 0.11478 0.11982 0.12294 0.12376 0.12980 0.13374 0.13567 0.14043 0.14304 0.14408 0.14641 0.14684 0.15139 0.15242 0.15815 0.16154 0.16452 0.16562 0.16770 0.16916 0.17535 0.18079 0.18140 0.18281 0.18624 0.18709 0.19058 0.19241 0.19733 0.19849 0.20143 0.20357 0.20537 0.20808 0.21048 0.21373 0.21612 0.21859 0.21918 0.22018 0.22345 0.22744 0.23090 0.23154 0.23507 0.23679 0.24017 0.24172 0.24265 0.24706 0.24806 0.24987 0.25269 0.25474 0.25748 0.26040 0.26290 0.26507 0.26622 0.27025 0.27355 0.27640 0.27948 0.28225 0.28406 0.28534 0.28798 0.29004 0.29359 0.29879 0.30048 0.30479 0.30682 0.31151 0.31300 0.31473 0.31712 0.31860 0.32194 0.32368 0.32687 0.32870 0.33416 0.33597 0.33978 0.34428 0.34678 0.34880 0.35301 0.35462 0.35776 0.36338 0.36639 0.36867 0.37147 0.37486 0.37755 0.38097 0.38176 0.38469 0.38779 0.39440 0.40106 0.40422 0.40926 0.41505 0.41774 0.42948 0.43324 0.43799 0.44217 0.44512 0.45050 0.45243 0.45807 0.46480 0.47099 0.47203 0.48185 0.48326 0.49370 0.49821 0.50264 0.50615 0.51460 0.52363 0.52633 0.53322 0.53529 0.53829 0.54885 0.55268 0.55617 0.55814 0.56266 0.57139 0.57305 0.57600 0.58173 0.59124 0.59560 0.60069 0.60750 0.60940 0.61506 0.61940 0.62243 0.62646 0.63363 0.63546 0.64453 0.64890 0.65418 0.66422 0.66818 0.67376 0.67701 0.68532 0.69014 0.69153 0.69774 0.70811 0.71299 0.71667 0.72364 0.72755 0.73061 0.73310 0.73969 0.74467 0.74559 0.75283 0.75899 0.76195 0.77043 0.77364 0.77838 0.78822 0.79235 0.79813 0.80590 0.81105 0.81423 0.82232 0.83472 0.84232 0.84651 0.85217 0.85937 0.86570 0.87023 0.88715 0.89591 0.89819 0.90196 0.90690 0.91731 0.92677 0.93567 0.94136 0.94724 0.95040 0.95320 0.95777 0.96554 0.96816 0.97580 0.98180 0.98356 0.99521 0.99967 1.00414 1.00838 1.01826 1.02315 1.02879 1.03587 1.04037 1.04244 1.04878 1.05615 1.06187 1.07240 1.07653 1.08169 1.08612 1.09705 1.10338 1.10483 1.10847 1.11418 1.13161 1.13533 1.14175 1.14896 1.15138 1.15889 1.16241 1.17107 1.17971 1.18535 1.19848 1.20333 1.20620 1.22097 1.22847 1.23186 1.23876 1.24818 1.25485 1.26342 1.27213 1.27670 1.28347 1.28782 1.30093 1.30879 1.31390 1.32086 1.32965 1.33153 1.34298 1.35085 1.35974 1.36778 1.37642 1.38124 1.38551 1.40085 1.40508 1.41097 1.43044 1.43523 1.44675 1.47076 1.48753 1.49634 1.50717 1.51366 1.52214 1.52997 1.54268 1.54374 1.54933 1.55608 1.55971 1.56649 1.56930 1.57579 1.57807 1.58551 1.59060 1.60333 1.60518 1.61407 1.62111 1.62647 1.62988 1.63997 1.65378 1.65601 1.65996 1.66990 1.67368 1.67735 1.68444 1.69137 1.70312 1.71097 1.71235 1.72130 1.72412 1.72797 1.73536 1.73917 1.74361 1.74674 1.75796 1.76308 1.76925 1.78096 1.78232 1.78920 1.79243 1.80392 1.81316 1.82805 1.83607 1.84093 1.85288 1.86354 1.87507 1.87888 1.89196 1.89629 1.90274 1.90704 1.91824 1.92625 1.93363 1.94087 1.95562 1.96873 1.98075 1.99313 1.99956 2.00974 2.01930 2.02912 2.04204 2.04591 2.05252 2.05833 2.06996 2.09716 2.10879 2.11538 2.11544 2.12957 2.13834 2.14304 2.15804 2.16548 2.17855 2.19399 2.19557 2.20367 2.21925 2.22258 2.24010 2.25070 2.25440 2.27154 2.27620 2.27889 2.29692 2.30447 2.31768 2.33752 2.34910 2.36310 2.37415 2.40571 2.42998 2.43734 2.44466 2.45457 2.46256 2.49210 2.49889 2.50579 2.51285 2.51836 2.52209 2.53264 2.53442 2.53871 2.54767 2.56084 2.56930 2.57416 2.57668 2.58546 2.59674 2.60440 2.61527 2.63808 2.65852 2.66489 2.66841 2.69084 2.69532 2.70286 2.71386 2.72228 2.72622 2.72999 2.73773 2.74213 2.74637 2.75272 2.76734 2.77348 2.78108 2.78979 2.80121 2.80469 2.80937 2.81403 2.81869 2.82128 2.82547 2.83201 2.84007 2.84840 2.85363 2.85946 2.86440 2.86746 2.87621 2.88489 2.89541 2.90184 2.90444 2.91079 2.92404 2.94021 2.94576 2.95193 2.95738 2.97067 2.99026 3.01727 3.02150 3.02500 3.04524 3.04811 3.06053 3.06955 3.07775 3.09197 3.11159 3.11542 3.13302 3.13740 3.15934 3.17819 3.20155 3.20588 3.21313 3.22364 3.23960 3.25379 3.25440 3.25882 3.27697 3.31751 3.33324 3.33512 3.35479 3.37001 3.37622 3.39023 3.40123 3.42229 3.47116 3.50008 3.53438 3.54497 3.55184 3.57509 3.60021 3.63721 3.66683 3.67382 3.70306 3.74480 3.78314 3.78556 3.79907 3.80631 3.81725 3.82118 3.82770 3.84333 3.86167 3.91130 3.93782 3.94794 3.96855 3.99213 3.99852 4.01155 4.02576 4.02915 4.03442 4.07092 4.09092 4.10706 4.10893 4.15508 4.18673 4.23713 4.31215 4.37897 4.38745 4.47700 4.54246 4.68375 4.77300 4.83447 4.93697 4.98669 5.01393 5.03201 5.04209 5.07203 5.08346 5.09108 5.10487 5.11929 5.14776 5.15485 5.21406 5.26739 5.30802 5.32359 5.39012 5.41214 5.43058 5.47482 5.67631 5.76630 5.81637 5.83167 5.86243 8.20667 17.37934 17.43270 17.57239 23.58669 23.81699 23.84303 23.86841 23.88428 23.89521 23.90640 23.92256 23.93023 23.93881 23.94345 23.94444 24.03699 24.08019 24.17814 35.53327 35.58543 35.64138 35.71660 35.72346 49.88201 49.93398 49.93591 49.94242 49.97852 49.98507 50.02566 189.32124 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 S O O O O O O O N N N N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.890922 -0.096970 -0.364487 -0.142930 -0.207654 -0.337906 -0.170221 -0.119994 -0.488351 -0.473371 -0.311253 -0.181297 -0.148829 -0.291409 0.288308 -0.077976 -0.088943 -0.056211 -0.491191 -0.496229 -0.451081 0.226352 -0.113545 -0.298341 0.130721 0.261255 -0.277588 -0.180367 0.196715 0.191877 0.464307 0.208959 0.208029 0.173944 0.181647 0.189922 0.178751 0.422755 0.174197 0.161194 0.162978 0.195104 0.194296 0.194841 0.193923 0.187257 0.187888 -0.00000 1.36139258e+00 4.19851186e+00 -3.05037895e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.4603 10.6716 -0.0775 11.2188 -138.4047 -162.5127 -181.1706 -18.9530 13.2143 0.9924 22.2913 -1.8167 -20.4746 -18.9530 13.2143 0.9924 62.3922 123.9961 31.1724 22.8986 71.0587 -85.7303 19.0037 24.6305 3.5908 0.3374 -8256.9787 -2463.3306 -1770.2197 -37.1656 92.3745 -176.7283 23.8736 80.4998 12.4674 -2120.3197 -2218.9952 -758.4083 -96.5760 50.3799 -43.2926 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1782.0185777 5.586E-9 8.924E-6 14.4412726,-7.12891,-7.3123626,-18.0734136,-3.2330306,7.4971082 C01 [X(C15H19N5O7S1)] 1.5937538 2.8863243 2.934434 0.000001938 -0.000013589 0.000014641 -0.000019313 -0.000018310 0.000001007 -0.000008210 0.000014851 -0.000008666 0.000002284 0.000007630 0.000004575 0.000001551 0.000000379 -0.000014248 -0.000011540 -0.000008371 -0.000015565 0.000014247 0.000006383 -0.000005102 -0.000015312 -0.000008411 -0.000010032 0.000021498 0.000004503 0.000008083 0.000020022 -0.000013483 -0.000006590 0.000004133 0.000007256 0.000014062 0.000012445 -0.000002697 0.000000205 -0.000006310 -0.000006424 -0.000011346 0.000003630 -0.000012815 0.000003877 0.000018864 0.000004409 0.000001249 -0.000001508 -0.000010080 -0.000013107 0.000011772 0.000009678 0.000013746 0.000016285 0.000023820 0.000001048 -0.000007143 -0.000002901 -0.000004464 0.000000803 0.000011741 0.000002468 -0.000010605 0.000003186 -0.000000834 -0.000002741 0.000021548 0.000019156 -0.000012773 -0.000012853 -0.000007385 0.000005302 -0.000006489 -0.000000918 -0.000014362 -0.000007177 0.000013096 0.000005488 -0.000006275 -0.000002046 -0.000020274 -0.000008104 -0.000002104 0.000012814 -0.000005779 0.000013255 -0.000004044 0.000003112 0.000001989 -0.000000246 0.000010027 -0.000004245 -0.000020128 -0.000012360 -0.000008081 0.000003915 0.000000433 0.000000024 -0.000004833 0.000005271 -0.000005677 -0.000002850 0.000004318 -0.000000483 -0.000000263 0.000006630 -0.000003842 0.000000173 0.000006258 0.000000883 0.000004501 -0.000000914 0.000002811 -0.000000459 0.000000018 -0.000000734 -0.000000261 0.000004475 -0.000002776 0.000004052 0.000006203 0.000000705 -0.000002238 0.000002138 0.000002716 0.000000629 0.000000437 0.000006135 -0.000000178 0.000000191 0.000003799 0.000002115 0.000008900 0.000005807 0.000000471 -0.000004307 -0.000003157 -0.000001845 -0.000009016 -0.000002484 -0.000001496 -0.000003438 -0.000001452 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2574,-1.5315,-.2656;-1.7224,.9721,1.2161;-2.015,-2.0783,1.0747;-2.7945,-2.4288,-1.2913;.9807,2.0049,1.3357;-1.3539,.079,-2.6575;2.9842,-1.7589,1.5717;5.3295,.4852,-1.6083;-.727,-1.0103,-.7416;.8335,.1412,-2.0552;3.1124,.3319,-1.8324;1.8579,-.8591,-.2094;4.2116,-.6998,.0176;-3.2907,-.0849,-.1936;-2.9225,1.0213,.5997;-4.4954,-.1122,-.8954;-3.8151,2.0955,.6834;-1.3058,2.095,2.0263;-5.3669,.966,-.8062;-5.0205,2.0588,-.0127;.1157,1.8584,2.4594;-.4865,-.2508,-1.8592;1.9747,-.1418,-1.3328;2.3561,1.9072,1.6998;3.0016,-1.0892,.4276;4.1935,.0134,-1.1056;1.6966,-2.1656,2.108;6.5703,.2205,-.908;-4.7407,-.9709,-1.5057;-3.5744,2.9573,1.2892;.0459,-1.1501,-.0746;-1.9576,2.1702,2.9009;-1.3699,3.0152,1.4403;-6.3037,.9501,-1.3483;-5.6956,2.9029,.0686;.3649,2.5995,3.2305;.2253,.8567,2.8951;.9711,.6869,-2.8989;2.9399,1.9653,.7811;2.6436,2.7323,2.3637;2.5647,.9593,2.209;1.9322,-2.6574,3.0485;1.2068,-2.8615,1.4269;1.068,-1.2917,2.2811;7.335,.7078,-1.5084;6.7554,-.8522,-.8551;6.5402,.6521,.0924; Gaussian 16 GINC-GARGANTILLA APULGAR Optimization cinosulfuron CONF90 water EM64L-G16RevC.01 135 C1[X(C15H19N5O7S)] 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 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2574,-1.5315,-.2656;-1.7224,.9721,1.2161;-2.015,-2.0783,1.0747;-2.7945,-2.4288,-1.2913;.9807,2.0049,1.3357;-1.3539,.079,-2.6575;2.9842,-1.7589,1.5717;5.3295,.4852,-1.6083;-.727,-1.0103,-.7416;.8335,.1412,-2.0552;3.1124,.3319,-1.8324;1.8579,-.8591,-.2094;4.2116,-.6998,.0176;-3.2907,-.0849,-.1936;-2.9225,1.0213,.5997;-4.4954,-.1122,-.8954;-3.8151,2.0955,.6834;-1.3058,2.0949,2.0263;-5.3669,.966,-.8062;-5.0205,2.0588,-.0127;.1157,1.8584,2.4594;-.4865,-.2508,-1.8592;1.9747,-.1418,-1.3328;2.3561,1.9072,1.6998;3.0016,-1.0892,.4276;4.1935,.0134,-1.1056;1.6966,-2.1656,2.108;6.5703,.2205,-.908;-4.7407,-.9709,-1.5057;-3.5744,2.9573,1.2892;.0459,-1.1501,-.0746;-1.9576,2.1702,2.9009;-1.3699,3.0152,1.4403;-6.3037,.9501,-1.3483;-5.6956,2.9029,.0686;.3649,2.5995,3.2305;.2253,.8567,2.8951;.9711,.6869,-2.8989;2.9399,1.9653,.7811;2.6436,2.7323,2.3637;2.5647,.9593,2.209;1.9322,-2.6574,3.0485;1.2068,-2.8615,1.4269;1.068,-1.2917,2.2811;7.335,.7078,-1.5084;6.7554,-.8522,-.8551;6.5402,.6521,.0924; Optimization cinosulfuron CONF90 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 32 16 16 16 16 16 16 16 14 14 14 14 14 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 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 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 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 0 2 2 2 2 2 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 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 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 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/cinosulfuron/water/CONF90/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 1 1 1 1 2 2 5 5 6 7 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 18 19 19 20 21 21 24 24 24 27 27 27 28 28 28 3 4 9 14 15 18 21 24 22 25 27 26 28 22 31 22 23 38 23 26 23 25 25 26 15 16 17 19 29 20 30 21 32 33 20 34 35 36 37 39 40 41 42 43 44 45 46 47 1.4677 1.4648 1.6853 1.7792 1.3501 1.446 1.4256 1.4261 1.2241 1.3258 1.4529 1.3288 1.4492 1.3725 1.0304 1.3909 1.3799 1.0142 1.3298 1.341 1.338 1.3291 1.3357 1.3307 1.4101 1.3945 1.3992 1.3892 1.0817 1.3924 1.0805 1.5047 1.0934 1.0929 1.3942 1.0825 1.0839 1.0982 1.0979 1.09 1.0974 1.0961 1.0871 1.0899 1.0904 1.0875 1.0899 1.09 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 3 3 4 4 9 15 21 25 26 1 1 22 22 22 23 23 23 25 1 1 15 2 2 14 14 14 19 15 15 20 2 2 2 21 21 32 16 16 20 17 17 19 5 5 5 18 18 36 6 6 9 10 10 11 5 5 5 39 39 40 7 7 12 8 8 11 7 7 7 42 42 43 8 8 8 45 45 46 1 1 1 1 1 1 2 5 7 8 9 9 9 10 10 10 11 12 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 4 9 14 9 14 14 18 24 27 28 22 31 31 23 38 38 26 25 26 15 16 16 14 17 17 19 29 29 20 30 30 21 32 33 32 33 33 20 34 34 19 35 35 18 36 37 36 37 37 9 10 10 11 12 12 39 40 41 40 41 41 12 13 13 11 13 13 42 43 44 43 44 44 45 46 47 46 47 47 118.1471 102.8943 111.216 108.9438 108.2683 106.7013 118.9206 112.1435 118.1375 118.9693 124.0707 117.1587 118.0755 130.7896 113.4283 115.7022 113.6722 114.8412 113.7689 120.592 117.738 121.6057 117.4103 124.5951 117.9914 119.6304 119.6928 120.6766 120.14 120.2479 119.612 108.1404 109.2615 109.6683 110.1089 110.0048 109.6329 119.2754 119.9523 120.7723 121.3501 118.762 119.8878 109.2799 110.2707 110.2445 108.0831 110.6069 108.3248 123.7783 120.3083 115.9133 115.9622 118.5098 125.5277 107.3247 110.8337 111.1853 109.2374 109.6132 108.6204 119.3217 115.0915 125.5868 113.5683 119.8677 126.5641 104.7113 110.2606 110.1902 110.4351 110.4992 110.5992 104.6815 110.407 110.3345 110.3943 110.4104 110.4762 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 3 4 4 14 14 3 3 4 4 9 9 18 18 15 15 15 24 24 24 21 21 21 27 27 25 25 25 28 28 26 26 26 1 1 31 31 23 23 38 38 22 22 38 38 26 26 23 23 25 25 23 23 26 26 25 25 1 1 16 16 1 1 15 15 2 2 14 14 14 14 29 29 15 15 30 30 2 2 2 32 32 32 33 33 33 16 16 34 34 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 5 5 5 5 5 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 9 9 9 9 9 9 14 14 14 14 14 14 15 15 18 18 18 21 21 21 24 24 24 25 25 27 27 27 26 26 28 28 28 22 22 22 22 22 22 22 22 23 23 23 23 23 23 26 26 23 23 25 25 25 25 26 26 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 21 21 21 21 21 20 20 20 20 22 31 22 31 22 31 15 16 15 16 15 16 14 17 21 32 33 18 36 37 39 40 41 12 13 42 43 44 11 13 45 46 47 6 10 6 10 6 9 6 9 11 12 11 12 10 12 8 13 10 11 7 13 7 12 8 11 2 17 2 17 19 29 19 29 20 30 20 30 20 34 20 34 19 35 19 35 5 36 37 5 36 37 5 36 37 17 35 17 35 -170.2608 -0.0216 63.566 -126.1947 -53.1133 117.126 56.0003 -121.1288 -172.6206 10.2503 -55.4931 127.3778 179.3525 0.0223 -173.4464 66.7039 -53.4861 174.9371 56.2686 -63.2985 176.4387 -64.3526 56.5704 -2.5213 177.464 -178.0921 63.1111 -59.2551 179.4117 -0.6085 -179.7151 61.4794 -60.9272 -3.2319 176.8772 -173.3883 6.7208 -177.4096 2.4853 -0.8543 179.0406 176.3197 -3.4917 -0.1725 -179.9839 -179.0497 0.7467 179.8584 -0.1198 179.9679 0.1762 178.0788 -1.9049 -177.5704 2.4139 178.6968 -1.3263 4.5876 -176.0368 -178.396 0.9796 176.4157 -3.7506 -0.6825 179.1511 178.7853 -1.3144 -0.5413 179.359 -0.0639 -179.9632 -179.8959 0.2048 -0.1823 179.9614 179.9167 0.0604 71.1452 -168.8329 -50.4003 -169.5391 -49.5172 68.9155 -48.6036 71.4183 -170.1491 0.4948 -179.6505 -179.6068 0.248 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00181 0.00373 0.00453 0.00473 0.00515 0.00551 0.00619 0.00734 0.00914 0.01013 0.01072 0.01108 0.01435 0.01475 0.01582 0.01710 0.01809 0.01909 0.02003 0.02225 0.02311 0.02365 0.02504 0.02776 0.02955 0.04284 0.04320 0.04622 0.04952 0.05094 0.05742 0.06378 0.06779 0.07145 0.07960 0.08187 0.08222 0.08307 0.08341 0.08635 0.08761 0.09959 0.10221 0.10326 0.10744 0.11016 0.11388 0.11566 0.12013 0.12154 0.12263 0.12400 0.12473 0.12624 0.12716 0.12977 0.14069 0.14994 0.16208 0.17743 0.18150 0.18272 0.18593 0.18640 0.18644 0.18704 0.18881 0.19141 0.19179 0.19543 0.20902 0.21266 0.21611 0.22338 0.22853 0.23346 0.23769 0.24194 0.24293 0.24590 0.25992 0.26114 0.27242 0.27604 0.27971 0.29127 0.31033 0.31359 0.31693 0.31842 0.32124 0.32239 0.32805 0.33071 0.33206 0.33335 0.34106 0.34137 0.34153 0.34516 0.34609 0.34720 0.35370 0.35501 0.35669 0.35769 0.35871 0.36166 0.36305 0.36606 0.37064 0.37293 0.37903 0.39651 0.40097 0.40418 0.41241 0.41495 0.44462 0.45675 0.45717 0.46002 0.46898 0.48980 0.51862 0.52974 0.54029 0.54355 0.56362 0.56947 0.60142 0.64256 0.77745 1.00206 4.07330 Angle between quadratic step and forces= 83.40 degrees. 1 2 3 0.00108803 0.00000235 0.00000000 0.00000034 0.00000013 0.00000013 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 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 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 2.77353 2.76801 3.18473 3.36229 2.55128 2.73246 2.69392 2.69500 2.31318 2.50535 2.74558 2.51099 2.73862 2.59368 1.94725 2.62846 2.60772 1.91654 2.51297 2.53419 2.52839 2.51171 2.52402 2.51459 2.66478 2.63524 2.64401 2.62530 2.04411 2.63134 2.04188 2.84353 2.06613 2.06530 2.63469 2.04555 2.04821 2.07522 2.07474 2.05984 2.07377 2.07132 2.05440 2.05970 2.06047 2.05514 2.05957 2.05980 2.06206 1.79584 1.94108 1.90143 1.88964 1.86229 2.07556 1.95727 2.06189 2.07641 2.16544 2.04481 2.06081 2.28271 1.97970 2.01938 1.98395 2.00436 1.98564 2.10473 2.05492 2.12242 2.04920 2.17459 2.05934 2.08794 2.08903 2.10620 2.09684 2.09872 2.08762 1.88741 1.90697 1.91407 1.92176 1.91995 1.91346 2.08175 2.09356 2.10787 2.11796 2.07279 2.09244 1.90729 1.92459 1.92413 1.88641 1.93045 1.89063 2.16034 2.09978 2.02307 2.02392 2.06839 2.19087 1.87317 1.93441 1.94055 1.90655 1.91311 1.89578 2.08256 2.00873 2.19190 1.98214 2.09209 2.20896 1.82756 1.92441 1.92318 1.92746 1.92858 1.93032 1.82704 1.92697 1.92570 1.92674 1.92702 1.92817 -2.97161 -0.00038 1.10944 -2.20251 -0.92700 2.04423 0.97739 -2.11410 -3.01280 0.17890 -0.96854 2.22316 3.13029 0.00039 -3.02721 1.16420 -0.93351 3.05323 0.98207 -1.10477 3.07944 -1.12316 0.98734 -0.04401 3.09733 -3.10829 1.10150 -1.03420 3.13132 -0.01062 -3.13662 1.07302 -1.06338 -0.05641 3.08709 -3.02620 0.11730 -3.09638 0.04338 -0.01491 3.12485 3.07736 -0.06094 -0.00301 -3.14131 -3.12501 0.01303 3.13912 -0.00209 3.14103 0.00308 3.10806 -0.03325 -3.09919 0.04213 3.11885 -0.02315 0.08007 -3.07242 -3.11360 0.01710 3.07904 -0.06546 -0.01191 3.12678 3.12039 -0.02294 -0.00945 3.13040 -0.00112 -3.14095 -3.13978 0.00357 -0.00318 3.14092 3.14014 0.00105 1.24172 -2.94669 -0.87965 -2.95902 -0.86424 1.20280 -0.84829 1.24648 -2.96966 0.00864 -3.13549 -3.13473 0.00433 -0.00002 -0.00001 0.00000 0.00000 -0.00001 0.00002 0.00001 0.00000 0.00002 -0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00003 0.00002 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00002 -0.00003 0.00007 -0.00009 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00006 -0.00005 -0.00001 0.00006 -0.00006 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00004 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00002 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00003 0.00001 0.00002 0.00003 0.00001 0.00002 0.00001 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00000 -0.00003 -0.00006 -0.00004 0.00007 0.00003 0.00003 0.00002 -0.00001 0.00007 -0.00001 0.00006 -0.00004 -0.00006 0.00003 -0.00003 0.00000 0.00001 -0.00002 0.00001 -0.00002 0.00001 -0.00001 0.00004 0.00003 0.00002 0.00002 -0.00000 0.00002 0.00001 -0.00002 -0.00000 0.00001 0.00004 0.00001 0.00001 0.00001 0.00002 0.00001 0.00002 0.00001 0.00001 -0.00001 0.00002 0.00001 0.00001 -0.00001 0.00003 0.00002 -0.00001 0.00003 0.00002 -0.00012 -0.00001 -0.00005 -0.00003 -0.00000 0.00014 0.00002 0.00022 -0.00001 0.00002 0.00003 0.00001 0.00002 0.00002 -0.00004 0.00004 0.00001 0.00002 -0.00003 0.00001 -0.00002 0.00003 -0.00001 -0.00003 0.00006 -0.00003 0.00001 -0.00002 -0.00004 -0.00007 0.00012 0.00001 0.00001 0.00001 -0.00002 0.00002 0.00001 -0.00003 0.00006 0.00001 -0.00003 -0.00005 0.00002 -0.00002 0.00001 0.00001 -0.00002 -0.00001 0.00003 -0.00002 -0.00000 -0.00000 -0.00003 -0.00002 0.00004 0.00002 0.00003 0.00000 -0.00003 -0.00001 0.00002 -0.00001 -0.00003 0.00002 -0.00009 0.00001 -0.00000 0.00008 -0.00003 -0.00003 -0.00001 0.00001 0.00001 0.00004 -0.00106 0.00168 -0.00113 0.00161 -0.00111 0.00163 -0.00008 -0.00043 -0.00002 -0.00038 -0.00004 -0.00039 -0.00190 -0.00203 0.00125 0.00135 0.00138 0.00005 0.00006 0.00009 0.00015 0.00012 0.00012 -0.00051 -0.00047 -0.00010 -0.00010 -0.00016 -0.00028 -0.00022 0.00037 0.00038 0.00036 0.00162 0.00170 -0.00113 -0.00105 -0.00009 -0.00017 0.00069 0.00061 0.00080 0.00076 0.00001 -0.00003 0.00018 0.00023 -0.00027 -0.00033 0.00014 0.00010 -0.00035 -0.00039 0.00026 0.00030 0.00002 0.00009 -0.00060 -0.00047 -0.00023 -0.00010 0.00037 0.00036 0.00001 -0.00000 0.00021 0.00023 0.00008 0.00010 0.00010 0.00002 0.00011 0.00003 0.00003 0.00002 0.00001 -0.00000 -0.00009 -0.00007 -0.00011 -0.00015 -0.00014 -0.00017 -0.00011 -0.00010 -0.00013 -0.00012 -0.00011 -0.00004 -0.00003 -0.00003 -0.00000 -0.00003 -0.00006 -0.00004 0.00007 0.00003 0.00003 0.00002 -0.00001 0.00007 -0.00001 0.00006 -0.00004 -0.00006 0.00003 -0.00003 0.00000 0.00001 -0.00002 0.00001 -0.00002 0.00001 -0.00001 0.00004 0.00003 0.00002 0.00002 -0.00000 0.00002 0.00001 -0.00002 -0.00000 0.00001 0.00004 0.00001 0.00001 0.00001 0.00002 0.00001 0.00002 0.00001 0.00001 -0.00001 0.00002 0.00001 0.00001 -0.00001 0.00003 0.00002 -0.00001 0.00003 0.00002 -0.00012 -0.00001 -0.00005 -0.00003 -0.00000 0.00014 0.00002 0.00022 -0.00001 0.00002 0.00003 0.00001 0.00002 0.00002 -0.00004 0.00004 0.00001 0.00002 -0.00003 0.00001 -0.00002 0.00003 -0.00001 -0.00003 0.00006 -0.00003 0.00001 -0.00002 -0.00004 -0.00007 0.00012 0.00001 0.00001 0.00001 -0.00002 0.00002 0.00001 -0.00003 0.00006 0.00001 -0.00003 -0.00005 0.00002 -0.00002 0.00001 0.00001 -0.00002 -0.00001 0.00003 -0.00002 -0.00000 -0.00000 -0.00003 -0.00002 0.00004 0.00002 0.00003 0.00000 -0.00003 -0.00001 0.00002 -0.00001 -0.00003 0.00002 -0.00009 0.00001 -0.00000 0.00008 -0.00003 -0.00003 -0.00001 0.00001 0.00001 0.00004 -0.00106 0.00168 -0.00113 0.00161 -0.00111 0.00163 -0.00008 -0.00043 -0.00002 -0.00038 -0.00004 -0.00039 -0.00190 -0.00203 0.00125 0.00135 0.00138 0.00005 0.00006 0.00009 0.00015 0.00012 0.00012 -0.00051 -0.00047 -0.00010 -0.00010 -0.00016 -0.00028 -0.00022 0.00037 0.00038 0.00036 0.00162 0.00170 -0.00113 -0.00105 -0.00009 -0.00017 0.00069 0.00061 0.00080 0.00076 0.00001 -0.00003 0.00018 0.00023 -0.00027 -0.00033 0.00014 0.00010 -0.00035 -0.00039 0.00026 0.00030 0.00002 0.00009 -0.00060 -0.00047 -0.00023 -0.00010 0.00037 0.00036 0.00001 -0.00000 0.00021 0.00023 0.00008 0.00010 0.00010 0.00002 0.00011 0.00003 0.00003 0.00002 0.00001 -0.00000 -0.00009 -0.00007 -0.00011 -0.00015 -0.00014 -0.00017 -0.00011 -0.00010 -0.00013 -0.00012 -0.00011 -0.00004 -0.00003 2.77350 2.76801 3.18470 3.36223 2.55124 2.73253 2.69395 2.69503 2.31320 2.50534 2.74565 2.51098 2.73867 2.59364 1.94719 2.62849 2.60769 1.91655 2.51298 2.53417 2.52839 2.51169 2.52403 2.51458 2.66482 2.63527 2.64403 2.62531 2.04411 2.63136 2.04189 2.84351 2.06613 2.06531 2.63472 2.04556 2.04822 2.07523 2.07476 2.05985 2.07379 2.07133 2.05441 2.05969 2.06049 2.05514 2.05958 2.05979 2.06209 1.79587 1.94107 1.90146 1.88966 1.86217 2.07555 1.95722 2.06186 2.07640 2.16559 2.04483 2.06103 2.28270 1.97972 2.01941 1.98396 2.00437 1.98566 2.10469 2.05496 2.12243 2.04922 2.17456 2.05935 2.08792 2.08906 2.10620 2.09681 2.09878 2.08759 1.88741 1.90695 1.91404 1.92169 1.92006 1.91346 2.08176 2.09358 2.10785 2.11798 2.07279 2.09241 1.90736 1.92459 1.92410 1.88636 1.93047 1.89061 2.16035 2.09979 2.02305 2.02391 2.06842 2.19085 1.87317 1.93441 1.94052 1.90653 1.91315 1.89580 2.08258 2.00873 2.19188 1.98213 2.09210 2.20895 1.82753 1.92444 1.92309 1.92746 1.92857 1.93040 1.82701 1.92693 1.92569 1.92676 1.92704 1.92822 -2.97267 0.00131 1.10830 -2.20090 -0.92811 2.04587 0.97731 -2.11453 -3.01282 0.17852 -0.96857 2.22277 3.12840 -0.00164 -3.02596 1.16555 -0.93213 3.05327 0.98213 -1.10467 3.07958 -1.12305 0.98746 -0.04452 3.09686 -3.10839 1.10139 -1.03436 3.13104 -0.01084 -3.13625 1.07340 -1.06302 -0.05478 3.08879 -3.02732 0.11625 -3.09648 0.04321 -0.01422 3.12546 3.07816 -0.06018 -0.00300 -3.14135 -3.12482 0.01326 3.13885 -0.00242 3.14118 0.00318 3.10771 -0.03363 -3.09893 0.04243 3.11887 -0.02306 0.07947 -3.07289 -3.11382 0.01700 3.07941 -0.06510 -0.01190 3.12678 3.12061 -0.02271 -0.00937 3.13050 -0.00102 -3.14093 -3.13967 0.00361 -0.00315 3.14094 3.14015 0.00105 1.24163 -2.94676 -0.87976 -2.95917 -0.86437 1.20263 -0.84841 1.24639 -2.96980 0.00852 -3.13560 -3.13477 0.00430 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000088 0.000014 0.003494 0.001087 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -7.140939e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 766 A 738 A 738 1174 766 108 108 3099.1287034986 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0580818720 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 2.957973 0.000000 1.467692 3.067687 0.000000 1.464768 4.359147 2.515546 0.000000 5.055213 2.896093 5.070985 6.388270 0.000000 3.021764 3.992204 4.361200 3.198583 5.010424 0.000000 5.558893 5.453101 5.033976 6.483648 4.270349 6.331051 0.000000 7.964318 7.612010 8.228698 8.636558 5.467061 6.777384 4.544073 0.000000 1.685286 2.958570 2.469461 2.566810 4.040144 2.291365 4.436696 6.298325 0.000000 3.943911 4.233729 4.778770 4.511195 3.872108 2.269687 4.624888 4.531148 2.342439 0.000000 5.895945 5.751397 6.367969 6.542608 4.168970 4.548927 3.996940 2.233592 4.211051 2.297680 0.000000 4.170295 4.266601 4.258548 5.027861 3.370353 4.145964 2.291328 3.976871 2.643510 2.336009 2.371992 0.000000 6.528429 6.280455 6.464445 7.334037 4.414972 6.223958 2.245775 2.301589 5.006310 4.051571 2.386449 2.369973 0.000000 1.779245 2.358828 2.685120 2.635368 4.995045 3.138277 6.729998 8.754085 2.780172 4.530593 6.622676 5.206582 7.530488 0.000000 2.776321 1.350078 3.264509 3.936408 4.091920 3.735955 6.600246 8.559065 3.278217 4.683047 6.543000 5.200312 7.361869 1.410140 0.000000 2.723964 3.650208 3.728219 2.901153 6.280717 3.606999 8.046287 9.868811 3.877018 5.459593 7.678191 6.433810 8.774507 1.394507 2.448319 0.000000 4.059837 2.434201 4.562291 5.040867 4.840746 4.613551 7.866100 9.563870 4.605754 5.738377 7.578260 6.458329 8.525570 2.407930 1.399150 2.798121 0.000000 4.394256 1.445956 4.338771 5.804011 2.390187 5.099389 5.784720 7.734895 4.199868 5.005265 6.125270 4.871762 6.502913 3.690441 2.408653 4.856085 2.846017 0.000000 4.024811 4.168027 4.903171 4.286926 6.779295 4.507613 9.100572 10.737210 5.043715 6.378597 8.564761 7.475708 9.757193 2.406301 2.820412 1.389247 2.429568 5.078390 0.000000 4.537526 3.683555 5.227938 5.169982 6.151024 4.935441 9.008891 10.589826 5.327767 6.489939 8.511089 7.474364 9.635538 2.760480 2.419300 2.401702 1.392446 4.237647 1.394216 0.000000 4.954659 2.389530 4.685661 6.396601 1.425562 5.613184 4.701195 6.753892 4.380174 4.883187 5.452528 4.188382 5.411421 4.734797 3.659221 6.033284 4.319885 1.504733 6.443561 5.703671 0.000000 2.704744 3.532694 3.779366 3.223794 4.177060 1.224081 5.107906 5.867735 1.372517 1.390920 3.645921 2.930587 5.079036 3.265759 3.687566 4.125438 4.800933 4.611997 5.138861 5.413028 4.843672 0.000000 4.580504 4.626634 5.046192 5.289372 3.566070 3.589325 3.474159 3.423929 2.898856 1.379946 1.329805 1.337966 2.671829 5.387562 5.391645 6.484975 6.526252 5.200768 7.443417 7.451071 4.672990 2.519271 0.000000 6.080430 4.212150 5.948272 7.367181 1.426134 6.007615 3.721754 4.669734 4.896704 4.420027 3.940798 3.397858 3.615153 6.280093 5.464290 7.599745 6.257129 3.681219 8.173772 7.574268 2.366158 5.040167 3.679649 0.000000 5.322880 5.214055 5.153968 6.192191 3.805539 5.463745 1.325776 3.470255 3.908408 3.518308 2.671965 1.329139 1.335654 6.402166 6.291162 7.675298 7.528266 5.590023 8.705076 8.628899 4.598353 4.254308 2.247431 3.318672 0.000000 6.686323 6.427065 6.904727 7.404803 4.499817 5.760760 3.430979 1.328756 5.039095 3.493918 1.341036 2.649431 1.330665 7.540255 7.386590 8.692400 8.466006 6.662154 9.612471 9.501400 5.722035 4.747687 2.235794 3.851319 2.233232 0.000000 4.655110 4.725461 3.853750 5.638589 4.301406 6.087141 1.452899 5.833987 3.915156 4.837170 4.875326 2.665194 3.583827 5.873682 5.810992 7.181807 7.110937 5.212838 8.257904 8.213559 4.337697 4.916383 4.001505 4.146043 2.384401 4.616304 0.000000 9.022815 8.593361 9.106271 9.739883 6.281948 8.116277 4.788276 1.449213 7.402309 5.850901 3.581057 4.884699 2.695778 9.891625 9.645132 11.070771 10.672635 8.611484 11.960971 11.769833 7.462204 7.136253 4.629398 5.235027 4.029301 2.393983 6.208332 0.000000 2.831728 4.504846 3.913296 2.441101 7.047168 3.728135 8.352489 10.175361 4.085917 5.710549 7.967118 6.725659 9.085017 2.146885 3.421617 1.081695 3.879701 5.802840 2.152544 3.389239 6.878330 4.329098 6.768578 8.301957 7.980848 8.997143 7.478252 11.389259 0.000000 4.929588 2.715927 5.275890 6.023004 4.653771 5.365691 8.083119 9.684262 5.288976 6.208458 7.832647 6.805914 8.695586 3.396118 2.155982 3.878442 1.080516 2.536402 3.401287 2.143198 4.024125 5.453297 6.875386 6.036684 7.769140 8.645312 7.395790 10.734657 4.960085 0.000000 2.342509 3.049042 2.535767 3.344128 3.580042 3.184538 3.422581 5.739499 1.030440 2.492055 3.832671 1.840156 4.190973 3.504613 3.739189 4.730239 5.100618 4.095319 5.857693 5.997509 3.934121 2.068052 2.513917 4.222847 2.998619 4.429352 2.918853 6.718688 4.999168 5.642460 0.000000 4.880451 2.080683 4.624735 6.278910 3.333270 5.969282 6.451831 8.733487 4.989730 6.039051 7.175577 5.780044 7.389869 4.054376 2.747050 5.105036 2.893590 1.093350 5.178353 4.228736 2.142637 5.539235 6.223509 4.485541 6.429196 7.651163 5.725499 9.541251 6.085209 2.414730 4.887979 0.000000 4.936660 2.085430 5.147277 6.255261 2.560665 5.041145 6.462816 7.783114 4.623761 5.033285 6.164616 5.305758 6.854160 3.996215 2.663250 5.000516 2.719850 1.092910 5.022155 4.043845 2.140996 4.725860 5.370572 3.895913 6.081290 6.815010 6.057291 8.739160 5.994205 2.210393 4.652946 1.786854 0.000000 4.868588 5.250269 5.782300 4.871842 7.834453 5.193593 10.105922 11.645372 5.942300 7.217661 9.448837 8.437002 10.731290 3.388594 3.902858 2.145542 3.410735 6.138213 1.082457 2.158664 7.518804 5.961780 8.350145 9.230325 9.690260 10.541743 9.255182 12.902229 2.481581 4.293524 6.808180 6.199384 6.031876 0.000000 5.621076 4.564111 6.274642 6.220322 6.854506 5.852861 9.966425 11.410926 6.376232 7.400493 9.370450 8.443082 10.542069 3.844303 3.392974 3.385299 2.136835 4.873946 2.150492 1.083865 6.370065 6.387201 8.370625 8.275350 9.576346 10.369298 9.192007 12.593734 4.289153 2.447904 7.029403 4.746646 4.539336 2.488147 0.000000 6.013691 3.326122 5.673973 7.464033 2.079165 6.631364 5.348660 7.247830 5.477276 5.848201 6.190630 5.101359 6.000459 5.682771 4.496551 6.928163 4.920779 2.120376 7.198402 6.309772 1.098159 5.895226 5.561401 2.605220 5.330557 6.336229 5.073461 7.829069 7.826023 4.406216 5.008521 2.384800 2.527306 8.255699 6.842451 0.000000 4.675183 2.574076 4.116713 6.118746 2.078648 5.824923 4.025454 6.817003 4.197397 5.038613 5.564225 3.904797 5.156919 4.773787 3.899335 6.131253 4.769820 2.152326 6.707055 6.117098 1.097904 4.933197 4.683198 2.659486 4.193199 5.697709 3.452334 7.424850 6.882460 4.629163 3.588711 2.547656 3.052985 7.787384 6.872621 1.780304 0.000000 4.720041 4.926373 5.687948 5.145068 4.434956 2.415246 5.479088 4.549908 3.227757 1.014191 2.418425 3.226469 4.574937 5.106602 5.245178 5.876664 6.142003 5.605735 6.680425 6.790562 5.551126 2.021139 2.036362 4.955276 4.282880 3.748794 5.807939 5.960921 6.108471 6.584493 3.493852 6.664433 5.452509 7.442885 7.626357 6.449390 5.844285 0.000000 6.350990 4.786706 6.402214 7.515695 2.036622 5.815357 3.807431 3.689157 4.961776 3.976014 3.086772 3.182574 3.050064 6.631284 5.940699 7.900053 6.756951 4.426458 8.515969 8.000452 3.286969 4.860289 3.136807 1.090020 3.075483 2.990130 4.513404 4.367768 8.534750 6.608947 4.337388 5.340550 4.484599 9.539902 8.715431 3.610035 3.614872 4.364943 0.000000 7.008095 4.845345 6.819609 8.340780 2.085991 6.944914 4.573244 5.295273 5.917037 5.432936 4.856845 4.487341 4.443229 7.049304 6.084493 8.347399 6.704009 4.014745 8.794139 8.052307 2.676433 6.043933 4.729833 1.097394 4.298907 4.672304 4.995226 5.694940 9.122169 6.314171 5.269403 4.666513 4.128102 9.849372 8.650951 2.441630 3.106274 5.888588 1.783441 0.000000 5.964930 4.400576 5.611398 7.242353 2.089282 6.309724 2.823260 4.737135 4.839495 4.674349 4.126326 3.107186 3.204251 6.414730 5.718675 7.786595 6.657340 4.037828 8.485416 7.979995 2.620827 5.227257 3.755577 1.096094 2.749645 3.812390 3.244835 5.129011 8.419810 6.521227 4.001086 4.732507 4.505459 9.555282 8.751644 2.927948 2.440120 5.357633 1.786521 1.781525 0.000000 5.459227 5.466858 4.451002 6.420783 5.057276 7.130486 2.023614 6.565309 4.914102 5.923384 5.843964 3.721978 4.267844 6.663899 6.564868 7.959061 7.824001 5.840761 9.014681 8.941652 4.903003 5.977186 5.052274 4.778576 3.236036 5.431737 1.087139 6.741595 8.252959 8.058661 3.947601 6.201468 6.757903 10.008760 9.898431 5.488618 3.909709 6.890528 5.246515 5.479482 3.766367 0.000000 4.078480 4.829139 3.334281 4.856505 4.872457 5.646729 2.096583 6.116292 3.445069 4.613042 4.944897 2.666635 3.960813 5.528401 5.728128 6.742941 7.095341 5.589156 7.927817 8.066035 4.953167 4.525612 3.949963 4.912817 2.713080 4.857917 1.089947 6.611967 6.895397 7.532357 2.555564 6.124035 6.416813 8.867771 9.094803 5.812413 4.116267 5.599920 5.168970 5.850874 4.129633 1.788094 0.000000 4.195379 3.747653 3.402812 5.382661 3.430548 5.668622 2.096021 6.036939 3.526674 4.572871 4.871993 2.648300 3.918690 5.155454 4.909283 6.514064 6.153871 4.143571 7.485755 7.318257 3.295723 4.543282 3.899246 3.497157 2.686092 4.789773 1.090354 6.537040 6.941393 6.370957 2.571752 4.639303 5.019957 8.517029 8.260458 4.066595 2.388023 5.545823 4.044967 4.322291 2.704119 1.789124 1.792513 0.000000 9.928439 9.461993 10.092501 10.606243 7.081622 8.787092 5.873824 2.020355 8.278701 6.548991 4.251656 5.843048 3.750437 10.736096 10.476608 11.874668 11.447902 9.438352 12.723985 12.518858 8.317805 7.887881 5.430061 6.043244 5.075069 3.242448 7.288843 1.087531 12.191810 11.484840 7.657570 10.389132 9.476029 13.641838 13.307982 8.638182 8.364319 6.514094 5.112739 6.410996 6.052967 7.828241 7.675377 7.591713 0.000000 9.057611 8.915787 9.063572 9.689006 6.805198 8.359268 4.575322 2.095120 7.485004 6.123409 3.953340 4.939887 2.693645 10.097130 9.964399 11.275263 11.081160 9.053844 12.258092 12.159653 7.900587 7.335952 4.856784 5.787576 3.974026 2.715813 6.008049 1.089877 11.515112 11.216745 6.761300 9.957909 9.286960 13.192178 13.037735 8.333376 7.721866 6.324954 5.017337 6.333745 5.498394 6.462225 6.327081 6.509651 1.787916 0.000000 9.071582 8.344741 9.033906 9.926837 5.855251 8.378935 4.543822 2.094318 7.501427 6.118733 3.944224 4.929306 2.693571 9.862631 9.483455 11.106055 10.472054 8.208608 11.945099 11.646433 6.952083 7.348361 4.848165 4.654616 3.958044 2.711077 5.955030 1.089999 11.508489 10.442709 6.741722 9.077713 8.364854 12.927881 12.441086 7.195394 6.911931 6.321692 3.893659 4.966786 4.514264 6.397266 6.524645 6.205905 1.788190 1.790830 0.000000 C15H19N5O7S 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 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2082,-1.3742,.9937;-1.8494,1.4638,.241;-1.9651,-.7906,2.3182;-2.6704,-2.7624,.9245;.7873,2.4233,-.4764;-1.3445,-1.8965,-1.8545;2.9955,.0655,2.3164;5.2799,-.493,-1.5718;-.6996,-1.2622,.2508;.8219,-1.3026,-1.5297;3.0808,-.8835,-1.5653;1.86,-.6336,.4531;4.1952,-.2293,.441;-3.3234,-.3669,.0411;-3.0363,.9929,-.1974;-4.5086,-.9525,-.4028;-3.9901,1.7554,-.8805;-1.5155,2.8501,.0013;-5.4417,-.182,-1.0853;-5.1757,1.1674,-1.3135;-.0928,3.0717,.4386;-.4778,-1.5115,-1.0806;1.9609,-.9234,-.8492;2.1576,2.6905,-.1853;3.0004,-.278,1.0359;4.1617,-.5294,-.855;1.7215,.0902,3.0144;6.5179,-.1112,-.9223;-4.691,-2.0019,-.2148;-3.8123,2.8035,-1.0737;.0649,-.8427,.7996;-2.1899,3.4885,.5784;-1.6186,3.0746,-1.0633;-6.3638,-.6311,-1.4316;-5.8993,1.779,-1.8399;.0966,4.1533,.4471;.0637,2.6858,1.4545;.947,-1.5126,-2.514;2.7575,2.1103,-.8864;2.3829,3.7569,-.3127;2.4083,2.4001,.8415;1.9636,.4276,4.0191;1.2873,-.9092,3.0429;1.0406,.7906,2.53;7.2669,-.1541,-1.7096;6.7624,-.8149,-.1267;6.441,.9011,-.5256; 0.3135691 0.1063455 0.1000682 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= 738 RedAO= T EigKep= 1.99D-06 NBF= 738 NBsUse= 736 1.00D-06 EigRej= 8.59D-07 NBFU= 736 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= 757 757 757 757 757 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1782.01857767487 -1782.01857767468 0.000000000187 -1782.01857767 2 1.776106932096e+03 -1.038057579595e+04 3.723367771631e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323432871 LenY= 11322845349 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 47. Will process 48 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 14616 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 760000000 NMat= 141 IRICut= 352 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 6.78D-14 1.00D-09 XBig12= 2.98D+02 7.17D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 6.78D-14 1.00D-09 XBig12= 4.62D+01 1.47D+00. 141 vectors produced by pass 2 Test12= 6.78D-14 1.00D-09 XBig12= 3.61D-01 4.85D-02. 141 vectors produced by pass 3 Test12= 6.78D-14 1.00D-09 XBig12= 1.52D-03 2.71D-03. 141 vectors produced by pass 4 Test12= 6.78D-14 1.00D-09 XBig12= 5.00D-06 1.67D-04. 129 vectors produced by pass 5 Test12= 6.78D-14 1.00D-09 XBig12= 1.09D-08 7.04D-06. 59 vectors produced by pass 6 Test12= 6.78D-14 1.00D-09 XBig12= 1.59D-11 3.06D-07. 3 vectors produced by pass 7 Test12= 6.78D-14 1.00D-09 XBig12= 2.35D-14 1.70D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 896 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 374.37 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 452.549 29.395 324.661 26.098 7.129 345.889 441.769 33.167 342.260 33.695 10.117 368.622 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT68846.300S 2022-03-16T23:21:41.000 -89.09995 -19.18766 -19.18442 -19.17397 -19.14510 -19.14417 -19.13440 -19.12697 -14.38132 -14.37364 -14.33706 -14.33183 -14.33085 -10.34781 -10.33068 -10.32720 -10.32089 -10.26859 -10.23043 -10.22538 -10.22342 -10.22209 -10.21970 -10.20587 -10.20180 -10.19408 -10.18818 -10.18315 -8.16053 -6.12392 -6.12291 -6.12123 -1.15147 -1.12555 -1.11108 -1.09413 -1.09143 -1.04049 -1.03946 -1.03657 -0.97671 -0.94890 -0.91806 -0.90760 -0.88322 -0.80112 -0.78621 -0.75756 -0.75130 -0.74494 -0.72100 -0.69803 -0.68580 -0.66181 -0.64373 -0.64136 -0.61549 -0.60762 -0.60039 -0.58706 -0.57283 -0.55505 -0.53951 -0.53018 -0.52544 -0.51931 -0.51222 -0.50839 -0.50308 -0.48773 -0.48603 -0.48353 -0.47829 -0.47105 -0.46514 -0.46306 -0.45835 -0.45126 -0.44734 -0.44153 -0.43856 -0.41657 -0.40930 -0.40386 -0.39591 -0.39139 -0.38774 -0.38428 -0.37958 -0.37506 -0.37289 -0.36903 -0.36218 -0.35640 -0.34432 -0.34204 -0.33767 -0.33278 -0.31938 -0.31585 -0.31342 -0.30713 -0.30183 -0.29634 -0.28790 -0.27984 -0.27140 -0.24813 -0.05780 -0.05039 -0.03573 -0.02069 0.00036 0.00789 0.00988 0.01583 0.01803 0.01935 0.02850 0.03012 0.03200 0.03564 0.03790 0.04218 0.04352 0.04785 0.04907 0.05462 0.06000 0.06084 0.06484 0.06823 0.07078 0.07430 0.07602 0.07983 0.08317 0.08368 0.08656 0.08827 0.09173 0.09441 0.10052 0.10355 0.10554 0.10990 0.11250 0.11435 0.11478 0.11982 0.12294 0.12376 0.12980 0.13374 0.13567 0.14043 0.14304 0.14408 0.14641 0.14684 0.15139 0.15242 0.15815 0.16154 0.16452 0.16562 0.16770 0.16916 0.17535 0.18079 0.18140 0.18281 0.18624 0.18709 0.19058 0.19241 0.19733 0.19849 0.20143 0.20357 0.20537 0.20808 0.21048 0.21373 0.21612 0.21859 0.21918 0.22018 0.22345 0.22744 0.23090 0.23154 0.23507 0.23679 0.24017 0.24172 0.24265 0.24706 0.24806 0.24987 0.25269 0.25474 0.25748 0.26040 0.26290 0.26507 0.26622 0.27025 0.27355 0.27640 0.27948 0.28225 0.28406 0.28534 0.28798 0.29004 0.29359 0.29879 0.30048 0.30479 0.30682 0.31151 0.31300 0.31473 0.31712 0.31860 0.32194 0.32368 0.32687 0.32870 0.33416 0.33597 0.33978 0.34428 0.34678 0.34880 0.35301 0.35462 0.35776 0.36338 0.36639 0.36867 0.37147 0.37486 0.37755 0.38097 0.38176 0.38469 0.38779 0.39440 0.40106 0.40422 0.40926 0.41505 0.41774 0.42948 0.43324 0.43799 0.44217 0.44512 0.45050 0.45243 0.45807 0.46480 0.47099 0.47203 0.48185 0.48326 0.49370 0.49821 0.50264 0.50615 0.51460 0.52363 0.52633 0.53322 0.53529 0.53829 0.54885 0.55268 0.55617 0.55814 0.56266 0.57139 0.57305 0.57600 0.58173 0.59124 0.59560 0.60069 0.60750 0.60940 0.61506 0.61940 0.62243 0.62646 0.63363 0.63546 0.64453 0.64890 0.65418 0.66422 0.66818 0.67376 0.67701 0.68532 0.69014 0.69153 0.69774 0.70811 0.71299 0.71667 0.72364 0.72755 0.73061 0.73310 0.73969 0.74467 0.74559 0.75283 0.75899 0.76195 0.77043 0.77364 0.77838 0.78822 0.79235 0.79813 0.80590 0.81105 0.81423 0.82232 0.83472 0.84232 0.84651 0.85217 0.85937 0.86570 0.87023 0.88715 0.89591 0.89819 0.90196 0.90690 0.91731 0.92677 0.93567 0.94136 0.94724 0.95040 0.95320 0.95777 0.96554 0.96816 0.97580 0.98180 0.98356 0.99521 0.99967 1.00414 1.00838 1.01826 1.02315 1.02879 1.03587 1.04037 1.04244 1.04878 1.05615 1.06187 1.07240 1.07653 1.08169 1.08612 1.09705 1.10338 1.10483 1.10847 1.11418 1.13161 1.13533 1.14175 1.14896 1.15138 1.15889 1.16241 1.17107 1.17971 1.18535 1.19848 1.20333 1.20620 1.22097 1.22847 1.23186 1.23876 1.24818 1.25485 1.26342 1.27213 1.27670 1.28347 1.28782 1.30093 1.30879 1.31390 1.32086 1.32965 1.33153 1.34298 1.35085 1.35974 1.36778 1.37642 1.38124 1.38551 1.40085 1.40508 1.41097 1.43044 1.43523 1.44675 1.47076 1.48753 1.49634 1.50717 1.51366 1.52214 1.52997 1.54268 1.54374 1.54933 1.55608 1.55971 1.56649 1.56930 1.57579 1.57807 1.58551 1.59060 1.60333 1.60518 1.61407 1.62111 1.62647 1.62988 1.63997 1.65378 1.65601 1.65996 1.66990 1.67368 1.67735 1.68444 1.69137 1.70312 1.71097 1.71235 1.72130 1.72412 1.72797 1.73536 1.73917 1.74361 1.74674 1.75796 1.76308 1.76925 1.78096 1.78232 1.78920 1.79243 1.80392 1.81316 1.82805 1.83607 1.84093 1.85288 1.86354 1.87507 1.87888 1.89196 1.89629 1.90274 1.90704 1.91824 1.92625 1.93363 1.94087 1.95562 1.96873 1.98075 1.99313 1.99956 2.00974 2.01930 2.02912 2.04204 2.04591 2.05252 2.05833 2.06996 2.09716 2.10879 2.11538 2.11544 2.12957 2.13834 2.14304 2.15804 2.16548 2.17855 2.19399 2.19557 2.20367 2.21925 2.22258 2.24010 2.25070 2.25440 2.27154 2.27620 2.27889 2.29692 2.30447 2.31768 2.33752 2.34910 2.36310 2.37415 2.40571 2.42998 2.43734 2.44466 2.45457 2.46256 2.49210 2.49889 2.50579 2.51285 2.51836 2.52209 2.53264 2.53442 2.53871 2.54767 2.56084 2.56930 2.57416 2.57668 2.58546 2.59674 2.60440 2.61527 2.63808 2.65852 2.66489 2.66841 2.69084 2.69532 2.70286 2.71386 2.72228 2.72622 2.72999 2.73773 2.74213 2.74637 2.75272 2.76734 2.77348 2.78108 2.78979 2.80121 2.80469 2.80937 2.81403 2.81869 2.82128 2.82547 2.83201 2.84007 2.84840 2.85363 2.85946 2.86440 2.86746 2.87621 2.88489 2.89541 2.90184 2.90444 2.91079 2.92404 2.94021 2.94576 2.95193 2.95738 2.97067 2.99026 3.01727 3.02150 3.02500 3.04524 3.04811 3.06053 3.06955 3.07775 3.09197 3.11159 3.11542 3.13302 3.13740 3.15934 3.17819 3.20155 3.20588 3.21313 3.22364 3.23960 3.25379 3.25440 3.25882 3.27697 3.31751 3.33324 3.33512 3.35479 3.37001 3.37622 3.39023 3.40123 3.42229 3.47116 3.50008 3.53438 3.54497 3.55184 3.57509 3.60021 3.63721 3.66683 3.67382 3.70306 3.74480 3.78314 3.78556 3.79907 3.80631 3.81725 3.82118 3.82770 3.84333 3.86167 3.91130 3.93782 3.94794 3.96855 3.99213 3.99852 4.01155 4.02576 4.02915 4.03442 4.07092 4.09092 4.10706 4.10893 4.15508 4.18673 4.23713 4.31215 4.37897 4.38745 4.47700 4.54246 4.68375 4.77300 4.83447 4.93697 4.98669 5.01393 5.03201 5.04209 5.07203 5.08346 5.09108 5.10487 5.11929 5.14776 5.15485 5.21406 5.26739 5.30802 5.32359 5.39012 5.41214 5.43058 5.47482 5.67631 5.76630 5.81637 5.83167 5.86243 8.20667 17.37934 17.43270 17.57239 23.58669 23.81699 23.84303 23.86841 23.88428 23.89521 23.90640 23.92256 23.93023 23.93881 23.94345 23.94444 24.03699 24.08019 24.17814 35.53327 35.58543 35.64138 35.71660 35.72346 49.88201 49.93398 49.93591 49.94242 49.97852 49.98507 50.02566 189.32124 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 S O O O O O O O N N N N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.890922 -0.096970 -0.364487 -0.142930 -0.207654 -0.337906 -0.170221 -0.119994 -0.488351 -0.473371 -0.311253 -0.181297 -0.148829 -0.291409 0.288308 -0.077976 -0.088943 -0.056211 -0.491191 -0.496229 -0.451081 0.226352 -0.113545 -0.298341 0.130721 0.261255 -0.277588 -0.180367 0.196715 0.191877 0.464307 0.208959 0.208029 0.173944 0.181647 0.189922 0.178751 0.422755 0.174197 0.161194 0.162978 0.195104 0.194296 0.194841 0.193923 0.187257 0.187888 -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 S O O O O O O O N N N N N C C C C C C C C C C C C C C C 0.890922 -0.096970 -0.364487 -0.142930 -0.207654 -0.337906 -0.170221 -0.119994 -0.024044 -0.050616 -0.311253 -0.181297 -0.148829 -0.291409 0.288308 0.118740 0.102934 0.360778 -0.317247 -0.314582 -0.082408 0.226352 -0.113545 0.200028 0.130721 0.261255 0.306653 0.388700 -0.00000 1.36139208e+00 4.19851193e+00 -3.05040613e-02 4.52549439e+02 2.93948028e+01 3.24660795e+02 2.60978466e+01 7.12857249e+00 3.45888502e+02 -5.0448 -4.4373 0.0014 0.0015 0.0017 6.2404 21.0783 26.7980 40.3292 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 20.4867 26.6239 40.2920 50.5595 52.7334 73.9494 77.7921 97.7587 107.1888 116.0988 120.3640 126.8636 135.7556 149.9415 163.3974 174.1769 186.6284 192.7079 203.8212 215.9209 230.0160 239.2596 244.4936 259.1772 268.5075 296.7897 309.4392 313.7259 316.0294 322.5982 325.0807 362.3802 391.8032 435.4674 479.6874 491.7389 506.3388 514.0982 538.0769 551.2478 558.6229 585.0724 605.1824 620.1342 624.0830 642.8243 703.1445 723.4149 732.0392 736.4331 755.0775 757.3430 760.6333 763.9806 814.2275 827.0084 856.1308 868.1396 869.3070 930.4689 937.8835 973.4163 995.9788 1008.6770 1011.3964 1035.8089 1038.6668 1039.4802 1051.8538 1069.0495 1091.6193 1103.8385 1121.3814 1133.5495 1134.6781 1158.0027 1169.6882 1170.9379 1178.1734 1187.3346 1210.4058 1218.8874 1221.1307 1226.4683 1245.3601 1263.3954 1267.3479 1299.1672 1303.4838 1320.5836 1333.3952 1348.0359 1373.9902 1405.8577 1410.9967 1446.1037 1466.5634 1470.7770 1471.3909 1474.7610 1475.2838 1475.8098 1479.6360 1479.9362 1487.4665 1491.0125 1492.5744 1498.3654 1502.7467 1503.8840 1537.4901 1576.2845 1606.6027 1607.1707 1623.5298 1685.0011 2993.4630 2999.4810 3033.5400 3046.8990 3049.9320 3059.7083 3059.8892 3101.2250 3131.2225 3144.9592 3145.5174 3167.6026 3171.4663 3184.6495 3201.5779 3216.1502 3223.1023 3263.3436 3577.8369 5.2481 5.8151 5.8401 5.8306 5.0151 7.3255 5.3061 4.3477 7.0165 4.8677 4.7544 3.5796 2.4513 4.9394 6.4862 6.3292 1.5180 3.4063 1.8549 5.3339 7.0532 5.4765 2.0497 3.6526 3.3458 2.6076 3.0819 2.7667 2.9306 3.5593 2.8967 7.3002 7.6108 5.3530 5.7379 5.8795 5.3530 4.6059 5.4748 5.4057 5.8015 1.1064 7.4119 1.1946 4.6934 6.6648 6.1686 3.8828 7.7724 9.7594 9.3399 6.8081 9.4443 1.2961 3.9947 12.1732 1.9875 5.7629 1.6037 8.1499 3.2925 1.3526 8.1004 1.3213 10.9218 7.8819 6.6361 3.2014 2.8987 2.5796 4.5305 3.3966 4.1685 3.2632 2.4137 1.6290 1.2643 1.2663 1.2803 1.1093 1.5886 2.4173 1.4723 3.5141 3.6721 2.8626 1.1627 1.7126 9.9561 1.1275 6.0505 3.8486 3.3722 1.2483 2.0893 1.4071 1.6765 1.2863 1.5092 1.1649 1.0471 1.0819 1.0485 1.2926 1.4316 1.0831 1.0537 1.7514 1.1973 1.6223 3.7068 9.9647 4.9295 5.9258 5.7789 6.9105 1.0408 1.0511 1.0984 1.0770 1.0902 1.0294 1.0290 1.1100 1.0986 1.1094 1.1092 1.1075 1.1072 1.0891 1.0921 1.0947 1.0934 1.0816 1.0782 0.0013 0.0024 0.0056 0.0088 0.0082 0.0236 0.0189 0.0245 0.0475 0.0387 0.0406 0.0339 0.0266 0.0654 0.1020 0.1131 0.0312 0.0745 0.0454 0.1465 0.2199 0.1847 0.0722 0.1446 0.1421 0.1353 0.1739 0.1604 0.1725 0.2182 0.1804 0.5648 0.6884 0.5981 0.7779 0.8376 0.8086 0.7172 0.9339 0.9678 1.0667 0.2231 1.5994 0.2707 1.0770 1.6226 1.7969 1.1972 2.4540 3.1185 3.1374 2.3007 3.2194 0.4457 1.5603 4.9054 0.8583 2.5590 0.7140 4.1572 1.7064 0.7551 4.7343 0.7920 6.5824 4.9824 4.2181 2.0381 1.8896 1.7370 3.1808 2.4384 3.0884 2.4704 1.8310 1.2870 1.0192 1.0229 1.0471 0.9214 1.3713 2.1159 1.2935 3.1144 3.3554 2.6921 1.1003 1.7031 9.9667 1.1585 6.3381 4.1206 3.7508 1.4536 2.4508 1.7337 2.1245 1.6394 1.9251 1.4927 1.3427 1.3883 1.3525 1.6680 1.8663 1.4187 1.3831 2.3167 1.5930 2.1617 5.1627 14.5875 7.4966 9.0183 8.9747 11.5601 5.4951 5.5719 5.9553 5.8911 5.9749 5.6782 5.6765 6.2898 6.3465 6.4648 6.4660 6.5474 6.5612 6.5079 6.5953 6.6715 6.6921 6.7861 8.1316 0.8194 1.2120 1.7817 0.3597 3.6847 2.3055 4.4508 10.3475 0.2807 0.1158 15.2849 1.3026 17.7134 2.1791 3.3692 7.0186 0.9681 7.8616 0.5178 3.0277 14.4982 1.8085 0.5710 9.6668 5.7646 1.7544 0.8103 6.8382 6.3888 4.2783 8.7503 7.1452 5.5905 71.7582 52.8015 100.0599 19.8757 58.3573 53.9744 211.5737 207.7851 187.9860 4.5015 8.7427 16.4611 45.7006 16.7598 5.2219 47.3584 7.9515 32.4469 49.3419 15.9317 126.4164 38.9872 97.1237 13.1814 170.1756 31.5180 45.6034 81.9952 3.9083 83.2501 0.1671 37.8866 160.0371 73.6059 124.1491 143.0707 96.3238 306.5557 143.4295 355.5182 192.2650 40.4732 114.5538 0.8934 0.9380 0.8413 12.1698 140.3528 82.3569 16.1889 459.6382 767.4667 698.4710 22.8357 222.3883 21.6414 19.2932 11.1946 755.3500 1749.6348 26.4901 160.2549 30.7597 932.5124 107.0130 112.2691 152.7168 22.5865 9.8885 25.9087 84.6473 30.8528 38.2667 12.8304 576.1900 12.0329 107.7062 12.5256 1682.9179 928.5950 137.9158 144.6861 723.5729 51.0218 84.7724 44.5587 129.4513 3.5906 37.4416 29.2172 33.1407 32.1055 21.5128 14.0387 15.9120 22.4950 6.0002 6.6542 7.3540 0.1972 1309.4560 213.1727 -0.04 -0.04 0.01 0.10 -0.06 -0.04 -0.03 -0.04 0.01 -0.09 -0.02 0.01 0.10 -0.01 -0.11 -0.02 -0.07 0.02 -0.05 -0.02 0.03 -0.06 0.15 -0.00 -0.02 -0.11 0.04 -0.03 -0.05 0.03 -0.04 0.03 0.02 -0.04 -0.02 0.03 -0.05 0.06 0.02 0.02 0.00 -0.01 0.07 -0.01 -0.02 -0.01 0.05 0.01 0.10 0.03 -0.01 0.12 -0.05 0.01 0.01 0.09 0.02 0.07 0.08 0.01 0.13 -0.08 -0.03 -0.02 -0.07 0.03 -0.04 -0.01 0.02 0.11 0.01 -0.17 -0.05 0.01 0.02 -0.05 0.08 0.01 -0.04 -0.10 0.05 -0.08 0.24 -0.02 -0.06 0.06 0.02 0.14 0.02 -0.01 -0.03 -0.08 0.03 0.14 -0.07 0.06 0.09 -0.00 0.02 -0.01 0.13 0.03 0.09 0.11 0.02 0.13 -0.08 0.04 0.18 -0.15 -0.06 -0.03 -0.03 0.02 0.09 0.07 -0.23 0.07 0.02 -0.12 0.17 -0.04 -0.20 -0.04 -0.12 0.06 0.00 -0.12 0.02 -0.08 -0.11 0.08 -0.09 0.30 -0.03 -0.02 0.25 -0.02 -0.15 0.23 -0.01 -0.02 0.04 0.05 0.00 0.01 -0.00 -0.03 0.10 0.02 -0.05 0.04 0.12 0.03 0.04 0.16 -0.03 -0.10 0.09 0.06 -0.04 -0.03 -0.06 0.05 -0.11 -0.01 -0.03 0.06 -0.04 -0.05 0.03 -0.05 0.01 -0.04 0.01 -0.03 0.00 0.00 -0.01 -0.06 0.01 0.00 -0.03 0.03 -0.00 -0.06 0.04 -0.01 -0.08 0.07 -0.03 -0.14 -0.00 0.01 0.03 0.09 -0.04 -0.17 0.10 -0.04 -0.20 -0.03 0.02 0.12 -0.03 -0.06 0.06 -0.03 -0.02 -0.00 0.01 0.04 0.24 0.02 -0.03 -0.03 -0.04 0.01 -0.07 0.07 -0.03 0.00 -0.05 0.07 -0.15 0.04 -0.01 -0.06 0.08 -0.03 -0.17 -0.01 -0.01 0.04 -0.05 -0.00 -0.01 0.06 0.02 0.03 0.11 -0.05 -0.22 0.13 -0.06 -0.27 -0.04 0.02 0.14 -0.09 0.01 0.12 -0.06 -0.06 0.03 0.05 0.07 0.25 0.01 0.05 0.29 -0.04 0.00 0.25 0.10 -0.04 -0.00 0.06 -0.02 0.01 0.07 -0.02 0.02 -0.08 0.11 -0.18 0.00 0.07 -0.17 -0.06 0.07 -0.13 0.01 -0.01 0.04 0.06 -0.07 -0.18 0.02 0.02 0.03 0.01 -0.01 0.07 0.10 0.03 -0.02 -0.05 0.19 -0.02 0.02 -0.11 0.04 -0.02 0.03 -0.00 0.00 -0.02 0.03 -0.05 0.18 -0.02 -0.04 0.13 -0.02 -0.02 0.04 0.01 -0.00 -0.05 0.02 -0.01 -0.04 0.02 0.03 -0.07 -0.09 -0.05 -0.03 0.13 0.03 -0.09 -0.12 0.04 -0.07 -0.18 -0.06 -0.05 0.11 -0.01 -0.08 -0.02 0.00 -0.02 -0.08 -0.04 0.12 -0.01 -0.04 0.12 -0.01 0.06 0.05 0.12 -0.00 -0.04 0.02 -0.02 0.04 0.00 0.02 -0.10 0.05 0.00 -0.10 0.03 -0.08 -0.01 0.22 0.06 -0.11 -0.22 0.00 -0.02 0.03 -0.02 -0.07 -0.23 0.10 -0.09 -0.19 -0.09 -0.05 0.20 -0.01 -0.10 -0.04 -0.04 -0.01 -0.05 -0.06 -0.02 -0.07 -0.07 0.25 -0.04 0.14 0.10 0.14 0.05 0.06 0.20 -0.02 -0.01 0.12 0.03 -0.16 0.06 -0.03 -0.08 -0.01 0.05 -0.04 0.08 -0.00 -0.09 0.02 -0.04 -0.18 -0.03 0.07 -0.13 0.10 0.02 0.08 -0.01 -0.07 0.06 -0.04 0.02 0.11 -0.02 0.05 0.07 0.02 -0.06 -0.06 -0.04 0.03 0.03 -0.01 0.05 -0.19 0.06 0.03 0.09 0.00 0.00 0.11 -0.03 0.05 -0.08 0.02 0.05 -0.05 0.02 0.06 -0.13 0.04 0.05 -0.08 0.03 -0.03 0.04 -0.00 -0.07 0.04 -0.02 -0.03 0.01 0.03 -0.10 0.02 -0.01 -0.05 0.05 -0.10 -0.06 -0.02 0.05 -0.09 -0.01 0.03 -0.05 0.02 -0.09 0.03 0.02 -0.01 0.05 -0.09 0.03 -0.05 -0.12 -0.00 0.05 -0.13 0.04 0.04 -0.02 0.02 0.05 -0.18 0.05 -0.01 0.25 -0.03 -0.00 0.01 0.05 -0.12 0.02 -0.03 0.03 0.02 -0.00 -0.04 0.09 -0.13 -0.04 0.00 -0.11 -0.06 -0.04 0.08 -0.12 -0.04 0.04 -0.01 0.01 -0.14 -0.08 0.06 -0.06 0.05 -0.07 0.02 -0.06 -0.14 0.01 -0.01 -0.13 0.01 -0.09 -0.13 0.00 0.05 -0.24 0.06 0.02 -0.17 -0.00 0.08 -0.14 0.07 -0.02 0.37 -0.05 0.11 0.27 -0.05 -0.14 0.24 -0.01 0.00 -0.01 -0.05 0.06 -0.03 -0.14 0.02 -0.01 -0.05 -0.01 -0.00 -0.04 0.09 0.04 0.11 0.04 -0.15 -0.02 -0.05 0.08 -0.04 0.02 -0.01 0.01 0.00 -0.02 -0.05 0.03 -0.12 -0.02 0.03 -0.06 -0.00 -0.01 -0.03 -0.03 -0.01 0.02 -0.01 -0.01 0.01 -0.02 0.01 -0.00 -0.05 -0.07 0.04 0.10 -0.01 0.02 0.01 0.03 -0.01 -0.11 -0.11 0.07 0.18 -0.08 0.06 0.13 -0.02 0.04 0.01 0.02 -0.10 -0.03 0.02 -0.07 -0.01 0.05 0.06 0.25 -0.02 0.02 -0.02 0.01 -0.02 0.00 -0.06 0.10 -0.06 -0.01 0.08 0.01 -0.09 0.05 0.13 0.01 0.01 -0.03 -0.00 -0.00 -0.06 -0.03 -0.04 -0.15 0.09 -0.02 -0.11 -0.16 0.10 0.27 -0.10 0.07 0.19 -0.05 0.04 0.01 -0.10 0.06 0.04 0.05 -0.16 -0.01 0.13 0.08 0.30 0.05 0.07 0.29 -0.05 0.05 0.27 -0.09 0.16 -0.08 -0.05 0.10 -0.02 -0.06 0.07 -0.12 0.00 0.08 0.02 0.02 0.12 0.04 -0.06 0.09 -0.03 0.11 0.05 0.04 0.02 0.05 0.05 0.23 0.13 -0.02 0.07 0.05 0.18 -0.02 0.09 -0.02 -0.02 -0.10 -0.06 -0.19 -0.08 -0.02 -0.01 0.02 0.07 0.03 -0.02 -0.09 -0.03 -0.03 -0.12 -0.01 0.01 -0.05 -0.09 -0.01 -0.10 -0.10 -0.02 0.02 0.07 0.01 0.06 0.04 0.02 0.04 0.10 -0.03 0.04 0.03 -0.02 0.02 -0.01 0.06 0.05 0.09 -0.06 0.00 0.06 -0.06 -0.01 0.00 0.08 0.01 -0.02 -0.06 -0.09 -0.04 -0.01 -0.10 -0.01 0.04 -0.01 -0.12 -0.03 -0.04 -0.05 0.01 0.01 -0.23 -0.14 -0.08 -0.04 -0.03 0.16 0.12 -0.03 0.05 0.00 -0.01 0.01 0.10 -0.05 -0.15 -0.01 0.05 0.07 -0.03 0.06 0.05 0.11 -0.09 -0.01 0.06 -0.08 -0.03 -0.01 0.08 0.01 0.03 0.07 0.01 -0.02 -0.05 -0.11 -0.03 0.03 -0.03 0.03 0.03 0.01 -0.02 0.00 -0.02 -0.28 -0.19 -0.05 -0.20 -0.15 -0.16 -0.22 -0.13 -0.08 0.01 -0.02 0.21 -0.11 -0.06 0.15 -0.04 -0.04 0.19 0.02 -0.02 0.03 -0.01 0.02 0.11 0.06 -0.08 0.05 0.02 -0.02 -0.01 0.06 -0.12 0.07 -0.09 0.27 -0.08 -0.06 0.07 -0.03 -0.01 -0.05 0.02 -0.01 0.02 -0.02 -0.02 -0.03 -0.02 -0.00 -0.11 0.01 -0.02 -0.05 -0.01 -0.03 -0.03 0.00 -0.00 0.00 0.08 0.01 -0.01 0.06 0.02 -0.01 0.04 0.05 -0.03 -0.02 0.04 -0.03 -0.06 0.06 -0.03 -0.03 0.08 -0.04 -0.07 0.03 -0.00 -0.04 -0.05 0.10 -0.04 -0.01 -0.08 -0.00 0.05 -0.07 0.06 -0.04 -0.01 -0.01 -0.01 -0.07 0.01 -0.08 0.16 -0.07 -0.06 0.19 -0.03 0.01 -0.01 0.05 0.06 -0.03 -0.05 0.03 -0.07 -0.00 0.04 0.07 -0.17 0.09 -0.16 -0.09 0.07 -0.04 -0.07 0.11 -0.06 -0.14 0.05 -0.00 -0.16 -0.01 0.12 0.02 -0.03 0.02 -0.03 0.06 -0.09 0.10 0.02 -0.07 -0.01 0.05 0.01 0.08 -0.10 0.26 -0.10 -0.10 0.18 0.02 -0.05 0.13 -0.16 -0.06 0.23 -0.03 0.05 0.31 0.04 -0.21 0.22 -0.13 0.00 0.02 -0.00 0.06 -0.07 -0.15 0.01 0.08 -0.03 -0.02 0.02 0.07 -0.08 0.12 -0.02 -0.03 0.18 -0.05 0.00 0.07 -0.02 0.03 -0.10 0.02 0.01 -0.05 0.00 0.02 -0.06 0.01 0.04 -0.12 0.03 0.01 -0.02 0.00 0.00 0.04 -0.01 0.01 -0.02 -0.04 0.03 -0.03 -0.09 -0.03 -0.01 0.03 0.02 -0.03 -0.07 -0.04 0.00 0.19 -0.04 -0.00 0.05 -0.01 -0.02 -0.00 -0.02 -0.06 0.16 -0.00 0.04 -0.02 0.02 -0.07 0.01 -0.05 0.03 -0.06 0.01 0.03 -0.01 0.02 -0.06 0.01 0.02 -0.04 0.01 0.00 0.05 -0.01 -0.04 0.00 0.07 0.04 -0.04 -0.11 0.02 -0.08 0.01 -0.04 -0.19 0.39 -0.10 0.28 0.25 -0.07 0.01 0.11 -0.02 -0.02 0.01 -0.03 -0.06 0.37 0.04 -0.27 0.07 0.02 -0.03 0.00 -0.11 0.03 -0.11 0.00 0.03 0.00 -0.03 -0.05 -0.09 0.01 -0.01 0.00 0.11 -0.08 0.03 -0.06 -0.11 0.03 0.01 -0.01 0.00 0.03 0.17 0.08 -0.06 0.10 -0.15 -0.00 -0.08 0.01 0.03 0.07 0.03 -0.02 -0.17 0.06 -0.03 -0.06 -0.09 -0.02 0.35 -0.16 -0.03 0.04 0.02 0.03 -0.08 0.03 -0.01 -0.09 0.00 0.01 -0.06 0.04 -0.01 -0.04 0.03 -0.00 -0.11 0.03 -0.01 -0.01 0.02 0.00 -0.06 0.01 0.04 0.01 0.03 0.04 0.02 0.04 0.06 0.01 -0.01 0.03 0.00 0.04 -0.06 0.09 -0.08 0.06 -0.01 -0.02 0.05 -0.00 0.00 -0.07 0.25 -0.13 -0.01 -0.02 0.03 -0.01 -0.06 0.03 -0.03 0.22 0.02 0.01 -0.05 0.02 -0.00 -0.08 0.02 0.03 -0.06 0.04 -0.03 0.05 -0.05 0.06 0.00 -0.03 0.01 0.01 0.05 0.01 -0.09 0.06 -0.10 0.08 -0.11 -0.10 0.00 -0.09 0.08 -0.02 -0.05 0.05 -0.00 -0.01 -0.19 0.27 -0.13 0.01 0.26 -0.13 -0.01 -0.04 0.03 0.00 0.15 0.10 0.09 0.20 0.07 -0.20 0.17 0.05 0.05 -0.12 0.05 -0.00 -0.05 -0.01 0.05 -0.01 0.08 -0.04 0.05 -0.06 0.05 0.14 0.00 -0.10 0.08 -0.13 0.01 0.01 0.01 -0.03 0.03 0.05 0.02 -0.13 0.07 0.09 -0.01 -0.15 -0.02 -0.02 0.04 0.01 -0.08 0.02 -0.01 0.04 -0.01 0.00 0.00 -0.00 -0.04 0.19 -0.04 0.01 -0.06 0.01 0.01 -0.03 0.00 0.00 -0.01 -0.01 -0.01 0.08 -0.02 -0.06 0.05 0.11 -0.00 0.01 -0.02 -0.10 0.07 0.19 0.09 -0.04 -0.20 -0.00 0.02 0.03 -0.04 0.03 0.08 0.07 -0.03 -0.16 -0.00 -0.01 0.05 -0.00 0.01 0.00 0.01 -0.03 -0.00 -0.02 0.05 -0.05 -0.01 0.04 -0.01 -0.00 0.03 -0.01 0.00 -0.14 0.03 0.01 -0.04 0.01 -0.16 0.10 0.32 0.16 -0.08 -0.35 -0.02 0.14 -0.03 -0.01 0.04 0.00 0.04 0.01 0.02 -0.07 0.04 0.14 0.14 -0.08 -0.31 0.02 -0.01 0.06 -0.01 -0.02 0.04 0.02 -0.12 0.02 -0.03 0.03 -0.05 -0.06 0.05 -0.13 0.05 0.12 -0.05 0.00 -0.18 0.04 0.11 -0.18 -0.03 -0.08 -0.17 0.09 0.02 -0.11 0.02 -0.04 -0.04 0.03 0.06 -0.03 -0.02 0.01 -0.00 -0.00 0.03 -0.02 -0.03 -0.00 -0.03 0.01 0.04 -0.01 -0.04 -0.04 0.03 -0.04 0.04 -0.17 0.05 0.01 -0.09 0.02 0.01 -0.12 0.03 -0.00 0.06 -0.01 -0.05 0.21 -0.05 -0.01 -0.00 0.00 -0.04 0.16 -0.04 0.02 -0.18 0.04 -0.00 0.00 0.01 0.02 -0.01 -0.03 -0.02 0.01 0.05 0.04 -0.01 -0.06 -0.01 0.01 0.08 -0.01 0.01 0.03 0.03 -0.00 -0.03 0.01 -0.02 0.04 0.00 0.02 -0.00 -0.03 0.12 -0.03 -0.02 -0.13 -0.01 -0.00 -0.03 0.01 0.01 -0.10 0.03 -0.01 0.13 -0.02 -0.04 0.16 -0.02 -0.04 0.03 0.09 0.06 -0.03 -0.09 -0.04 0.19 -0.05 0.00 -0.05 0.17 -0.05 0.11 0.11 -0.03 0.03 0.06 0.04 -0.01 -0.05 0.02 -0.02 0.11 0.05 -0.09 0.01 -0.03 0.13 -0.03 -0.07 -0.13 -0.04 0.09 -0.14 0.08 -0.06 -0.23 -0.03 0.01 0.08 -0.01 -0.19 0.21 -0.05 0.13 0.25 -0.05 -0.05 0.24 -0.04 0.11 0.28 0.03 -0.23 0.18 -0.11 0.00 -0.02 0.00 0.03 0.01 -0.03 0.03 -0.05 0.01 -0.03 -0.01 -0.01 -0.08 0.05 -0.03 -0.00 0.03 -0.02 0.02 -0.07 0.02 -0.02 0.17 -0.03 0.00 -0.04 0.00 0.02 -0.08 0.02 -0.01 0.09 -0.02 0.03 -0.13 0.03 0.01 -0.07 0.02 0.01 0.01 0.02 0.04 0.00 -0.03 -0.02 0.03 0.06 0.06 -0.01 -0.07 -0.04 0.04 0.07 -0.00 0.03 0.04 0.04 0.01 -0.04 -0.02 0.05 0.02 0.01 -0.03 -0.00 0.01 -0.04 0.01 -0.06 -0.08 -0.03 0.02 -0.10 0.03 -0.00 0.05 -0.01 -0.02 0.20 -0.05 0.02 -0.07 0.03 -0.04 0.05 0.11 0.08 -0.02 -0.11 0.02 -0.10 0.02 -0.04 -0.03 0.14 -0.08 0.13 0.09 -0.02 0.04 0.08 0.06 0.00 -0.07 -0.02 0.05 0.02 0.02 0.04 0.01 0.01 -0.01 0.00 -0.11 -0.07 -0.08 0.02 -0.09 0.06 -0.07 -0.18 -0.06 -0.03 0.34 -0.10 -0.15 0.27 0.09 0.10 0.21 -0.20 -0.01 0.09 0.00 -0.01 -0.31 -0.17 0.10 -0.18 0.32 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.02 -0.02 -0.02 0.00 0.02 -0.01 -0.08 0.12 0.01 -0.01 -0.02 0.02 -0.08 0.02 0.01 -0.01 0.01 0.00 -0.03 -0.01 -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 -0.07 0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.02 -0.00 0.00 0.00 -0.02 0.02 0.03 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.23 -0.12 0.01 -0.05 0.01 0.01 -0.03 0.01 0.01 0.05 -0.01 -0.00 0.02 0.00 -0.02 0.00 0.01 0.01 -0.01 -0.02 -0.01 -0.02 -0.01 -0.03 -0.02 -0.00 0.01 -0.00 0.01 -0.02 0.02 0.03 -0.00 0.01 0.01 -0.02 0.02 -0.08 -0.05 0.13 0.08 0.00 0.03 -0.01 -0.00 0.06 0.02 -0.19 0.22 -0.54 0.15 0.63 -0.05 0.02 0.03 -0.00 -0.10 0.09 -0.01 0.09 0.12 -0.03 -0.01 0.07 -0.01 0.04 0.02 -0.02 -0.04 0.01 0.02 0.01 0.05 -0.01 -0.03 -0.06 0.01 -0.09 0.04 0.01 0.17 -0.00 -0.06 0.13 0.13 -0.09 -0.03 0.00 0.06 -0.02 -0.05 0.01 -0.03 0.05 -0.01 -0.03 0.23 -0.01 -0.01 -0.06 0.01 -0.02 -0.01 -0.00 -0.01 -0.07 0.01 -0.01 -0.07 0.01 -0.04 -0.03 -0.00 -0.05 -0.02 0.02 0.00 -0.06 -0.05 -0.07 -0.02 0.05 0.06 -0.07 0.04 -0.00 -0.07 -0.05 -0.05 -0.05 0.02 0.08 -0.13 0.06 -0.02 0.05 0.03 -0.01 -0.05 0.00 0.11 0.16 -0.01 -0.01 -0.07 0.01 -0.02 -0.02 -0.00 -0.05 0.09 -0.05 -0.02 -0.02 0.00 0.04 -0.08 -0.08 -0.09 -0.00 0.09 0.01 0.15 -0.00 0.10 -0.05 0.07 0.06 -0.03 0.05 0.02 -0.08 -0.10 -0.06 -0.05 0.04 0.03 -0.13 0.31 0.10 -0.35 -0.03 -0.02 -0.09 0.02 0.16 0.25 -0.04 0.07 0.18 0.12 0.09 0.05 -0.03 -0.07 0.20 -0.08 -0.10 0.12 0.05 0.00 0.07 -0.15 -0.04 0.11 -0.02 0.01 -0.14 -0.11 -0.03 -0.08 0.16 0.03 -0.00 0.01 0.11 0.01 -0.15 -0.20 -0.03 0.07 0.12 -0.03 -0.10 -0.07 -0.10 0.10 -0.07 0.06 0.24 -0.09 -0.01 -0.04 0.02 0.02 -0.01 0.08 0.07 0.15 -0.02 0.00 0.02 0.02 -0.01 -0.05 0.01 -0.01 -0.06 -0.01 0.01 -0.02 0.10 -0.01 -0.08 0.08 -0.00 -0.07 0.09 -0.01 -0.05 0.03 0.01 0.02 -0.02 0.06 -0.00 0.05 0.01 0.03 0.01 0.02 0.08 -0.03 0.09 -0.01 0.02 0.05 0.15 0.01 -0.01 -0.05 -0.05 -0.07 -0.03 -0.01 -0.00 -0.04 0.01 0.01 -0.03 -0.16 -0.10 -0.15 0.01 -0.00 0.02 0.11 -0.01 -0.07 0.01 0.02 0.04 0.08 0.08 0.13 -0.05 -0.05 0.08 -0.05 0.17 0.02 0.03 0.01 0.06 -0.04 0.04 0.16 0.01 0.09 -0.17 -0.05 0.23 0.05 -0.12 -0.02 0.01 -0.10 -0.17 0.02 -0.05 -0.09 -0.20 0.01 0.08 0.00 -0.27 -0.14 -0.11 -0.13 -0.11 -0.24 -0.14 -0.09 -0.17 0.02 0.01 0.04 -0.01 -0.02 0.01 0.01 -0.01 0.05 0.09 0.01 -0.05 0.09 0.02 -0.13 0.10 -0.01 -0.05 0.15 -0.01 -0.09 -0.03 -0.07 0.07 -0.03 -0.02 -0.06 -0.01 0.04 0.09 -0.18 -0.01 -0.03 0.00 0.09 -0.08 -0.03 -0.02 0.02 -0.11 -0.02 0.10 -0.08 0.00 0.11 -0.08 0.03 0.05 0.09 0.00 -0.04 0.06 0.01 -0.05 0.10 -0.02 -0.04 0.00 0.01 0.03 0.00 0.06 0.00 0.06 -0.04 0.01 0.00 -0.01 0.07 0.00 0.06 0.01 -0.03 -0.00 -0.06 -0.09 -0.01 0.11 -0.02 -0.06 -0.01 -0.07 0.02 0.09 -0.11 0.00 0.06 0.06 0.04 0.21 -0.09 -0.07 -0.19 0.14 -0.03 -0.06 -0.03 0.02 0.05 0.06 0.02 -0.08 -0.01 -0.02 0.07 -0.02 0.16 0.02 0.07 -0.05 0.01 -0.05 -0.01 0.13 0.04 0.05 -0.09 -0.02 0.13 0.04 0.07 -0.02 0.03 -0.05 -0.10 -0.01 -0.01 -0.07 -0.09 0.03 0.00 -0.00 0.15 0.04 0.18 0.06 0.04 0.25 0.01 0.03 0.27 -0.20 -0.08 -0.29 -0.01 -0.11 -0.25 0.00 -0.08 -0.15 -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 0.02 -0.01 0.00 0.05 -0.02 -0.00 0.05 -0.01 0.00 -0.01 0.00 0.01 -0.03 0.00 0.02 -0.08 0.01 -0.02 0.12 -0.03 0.01 -0.06 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.04 -0.01 0.01 -0.04 0.00 0.02 -0.03 0.01 0.00 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.06 0.01 0.00 -0.04 0.04 0.01 -0.01 -0.04 -0.01 0.04 0.02 0.04 -0.13 0.04 0.03 -0.04 -0.08 0.00 0.01 0.10 -0.09 0.51 -0.10 0.22 -0.35 -0.35 -0.13 -0.22 0.52 0.01 0.00 -0.00 0.02 0.00 -0.04 -0.00 -0.02 0.01 0.03 -0.00 -0.03 -0.00 -0.02 0.02 -0.07 0.00 0.03 0.09 -0.01 -0.06 0.02 0.03 0.02 -0.00 0.03 -0.00 -0.04 -0.05 -0.03 -0.03 -0.03 -0.06 -0.03 0.01 -0.04 -0.05 -0.00 -0.08 0.01 0.00 -0.00 0.01 0.00 -0.01 0.02 -0.01 -0.02 -0.01 0.00 0.01 0.00 0.01 -0.01 0.02 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.04 -0.01 -0.00 -0.03 -0.02 -0.04 -0.00 -0.01 0.00 -0.02 -0.00 -0.05 -0.04 -0.01 -0.06 0.20 0.05 0.10 -0.11 0.04 0.28 0.03 -0.01 -0.03 -0.02 0.01 0.02 0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.04 -0.00 0.02 -0.02 -0.02 -0.01 -0.00 0.03 0.01 0.01 -0.02 -0.01 0.03 0.01 -0.05 -0.06 -0.02 -0.01 -0.02 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 0.35 0.03 0.08 0.14 0.07 0.15 0.17 0.09 0.20 0.07 -0.03 0.45 -0.30 0.09 0.38 -0.18 0.06 0.20 0.00 -0.00 0.00 -0.00 0.02 -0.02 0.01 -0.02 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.04 0.01 -0.01 0.11 -0.04 0.01 -0.05 0.02 0.00 -0.00 0.00 -0.02 0.09 -0.02 -0.02 0.08 -0.02 0.02 -0.12 0.03 0.01 -0.06 0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.02 -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 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.04 0.00 -0.00 -0.02 -0.00 0.02 -0.05 0.02 -0.02 0.03 0.02 0.02 0.00 -0.00 -0.02 0.01 -0.00 0.01 -0.03 0.01 -0.00 0.02 -0.01 0.00 0.02 -0.01 0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.01 0.00 0.02 -0.01 -0.02 -0.00 -0.03 0.12 -0.03 -0.00 -0.01 0.01 -0.00 0.01 -0.04 -0.00 0.04 0.00 -0.03 0.38 -0.11 0.36 -0.18 0.38 -0.24 -0.44 -0.17 -0.04 0.27 -0.02 0.12 -0.07 -0.11 -0.15 -0.05 0.19 -0.01 -0.02 -0.01 0.06 -0.15 0.12 -0.09 0.14 -0.06 0.16 -0.08 0.12 -0.07 0.01 -0.03 0.01 -0.01 -0.04 0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.04 0.12 -0.05 -0.00 0.03 -0.01 -0.00 -0.02 0.00 0.01 -0.05 0.02 -0.01 0.02 -0.01 -0.02 -0.10 -0.04 0.08 -0.12 0.04 -0.09 0.02 -0.03 0.18 -0.01 0.03 -0.05 -0.15 -0.01 -0.02 0.16 0.00 0.13 0.13 0.02 -0.08 0.07 -0.09 -0.01 0.04 -0.03 -0.00 -0.02 0.01 -0.09 0.00 0.03 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.02 0.02 -0.01 -0.00 0.01 -0.19 0.03 -0.06 0.26 -0.02 0.07 -0.04 0.08 -0.04 -0.11 -0.15 -0.06 -0.08 -0.26 -0.03 -0.08 0.27 0.01 0.19 0.22 0.04 -0.20 0.09 -0.27 0.01 0.24 -0.04 0.01 0.02 -0.01 -0.05 -0.03 0.09 -0.06 -0.01 0.02 -0.16 0.03 0.06 0.03 0.04 0.00 0.08 -0.04 0.08 -0.03 -0.07 0.01 -0.01 0.06 0.00 0.01 -0.04 -0.03 -0.03 -0.03 0.07 0.03 -0.01 -0.10 -0.12 0.13 0.28 -0.18 0.15 -0.13 0.06 -0.02 -0.04 0.05 0.04 0.00 -0.03 0.05 0.03 -0.01 0.02 -0.00 -0.03 -0.02 0.00 0.09 -0.15 0.05 0.01 -0.06 -0.00 -0.04 0.06 -0.02 -0.03 0.03 -0.01 -0.02 -0.07 0.01 0.11 -0.04 -0.17 0.04 0.00 -0.06 0.04 -0.04 0.04 0.06 -0.08 -0.17 0.04 0.07 0.05 -0.08 -0.04 0.22 -0.02 -0.09 0.02 0.06 0.04 0.02 0.03 -0.04 0.02 -0.02 0.02 -0.01 0.07 -0.02 -0.02 -0.03 -0.00 0.01 -0.03 -0.01 0.00 0.02 0.01 0.05 -0.04 -0.00 -0.00 0.07 -0.03 0.09 0.04 -0.09 -0.25 0.08 -0.11 0.04 0.08 0.23 -0.08 0.08 -0.11 0.01 -0.19 -0.01 0.46 -0.06 -0.10 0.05 0.08 0.04 0.01 0.08 0.05 0.02 0.00 -0.02 -0.01 0.02 0.00 -0.08 0.10 -0.02 0.02 0.10 -0.08 -0.05 0.05 0.07 0.02 0.07 -0.01 0.12 -0.04 -0.05 0.05 -0.03 -0.05 0.01 -0.06 0.04 0.04 -0.05 0.02 -0.06 -0.01 -0.01 -0.01 -0.02 0.05 0.03 -0.04 0.01 -0.01 -0.03 -0.00 0.01 0.03 0.01 0.02 0.02 -0.07 0.01 0.02 -0.09 0.02 0.00 -0.01 -0.00 -0.01 -0.02 -0.00 -0.06 0.28 -0.06 0.04 -0.24 0.05 0.03 -0.19 0.04 -0.05 0.31 -0.08 0.03 -0.00 -0.03 0.01 0.01 -0.02 0.02 -0.02 0.01 -0.01 -0.02 -0.03 0.02 0.04 0.01 -0.01 -0.03 0.04 -0.02 -0.04 0.01 0.03 0.03 0.01 -0.01 0.04 -0.01 0.01 -0.08 0.02 0.04 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.05 -0.01 -0.01 -0.02 0.03 0.05 -0.02 0.02 -0.02 -0.02 -0.05 -0.01 -0.01 0.01 0.03 0.06 -0.00 0.03 0.03 0.01 -0.02 -0.04 0.09 -0.04 -0.05 0.03 0.04 0.03 0.00 0.02 0.04 0.02 -0.06 0.28 -0.06 0.00 0.07 -0.11 0.03 0.00 0.09 0.09 -0.12 -0.06 0.02 -0.07 0.02 -0.17 0.12 -0.10 0.14 0.20 0.01 -0.05 0.32 -0.03 0.12 -0.23 -0.20 -0.11 -0.15 0.35 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.04 -0.01 0.02 -0.15 0.03 -0.01 0.01 -0.01 0.01 -0.06 0.02 -0.03 0.17 -0.04 0.02 -0.10 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 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.03 -0.01 0.00 0.01 -0.00 -0.01 0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.05 0.01 0.00 -0.01 0.02 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.01 -0.02 0.01 0.00 0.06 -0.05 -0.02 0.01 0.07 0.02 -0.07 -0.03 0.07 -0.45 0.14 -0.22 0.09 -0.41 0.16 0.35 0.26 -0.06 0.31 -0.05 0.20 -0.05 -0.12 -0.20 -0.06 0.17 -0.07 -0.01 0.01 0.05 0.02 -0.03 -0.12 0.01 0.01 -0.04 -0.02 0.05 0.05 0.03 0.03 0.05 -0.04 -0.11 -0.00 0.15 -0.05 -0.01 0.10 -0.03 -0.10 0.08 -0.06 -0.01 0.06 -0.00 0.01 -0.02 0.01 0.02 -0.05 0.02 0.03 -0.12 0.02 -0.00 -0.01 0.02 0.03 -0.00 0.01 0.01 -0.05 0.03 -0.01 -0.05 0.02 0.03 0.06 0.08 0.00 -0.09 0.01 -0.01 -0.08 0.02 0.07 0.12 -0.02 -0.03 0.02 -0.05 0.01 -0.03 0.02 0.08 -0.05 -0.01 0.02 -0.03 0.00 0.02 -0.03 0.00 0.01 -0.03 -0.02 0.01 -0.00 0.01 0.05 -0.05 0.05 -0.06 -0.04 0.01 -0.09 0.03 -0.04 0.06 -0.01 0.19 -0.07 0.15 0.11 0.02 -0.10 -0.00 -0.01 -0.09 0.02 0.02 0.13 -0.17 0.13 0.26 0.03 0.01 0.06 0.00 0.01 -0.22 0.07 0.19 -0.09 -0.19 0.06 0.09 0.03 0.03 -0.35 0.08 -0.02 -0.03 -0.32 0.02 0.13 0.19 0.06 -0.21 0.07 -0.14 0.07 0.12 0.12 0.06 -0.12 0.06 0.00 -0.02 -0.05 -0.01 0.03 0.11 -0.01 -0.02 0.02 0.01 -0.04 -0.03 0.01 -0.04 -0.03 -0.01 0.09 -0.02 0.16 -0.04 -0.04 0.11 -0.03 0.07 -0.07 0.05 -0.03 0.12 -0.02 -0.00 -0.07 0.02 0.02 -0.10 0.03 0.02 -0.12 0.03 0.00 0.00 -0.02 -0.02 0.00 -0.02 -0.01 0.03 -0.02 0.00 0.03 -0.03 -0.02 -0.04 -0.04 -0.01 0.06 -0.00 -0.01 0.06 -0.02 -0.04 -0.09 0.02 0.01 0.01 0.03 0.00 -0.05 0.02 -0.04 0.04 0.01 0.01 -0.05 0.02 -0.01 -0.05 0.01 -0.00 -0.01 -0.00 -0.03 -0.01 0.01 -0.03 0.03 -0.04 0.03 0.03 -0.02 0.05 0.00 0.03 -0.03 0.01 -0.12 0.04 -0.10 -0.06 -0.02 0.07 0.02 -0.00 0.06 -0.01 -0.02 -0.10 0.15 -0.07 -0.21 -0.03 -0.04 0.16 -0.03 0.00 0.03 0.06 -0.06 0.04 0.00 -0.09 0.06 0.03 0.04 -0.45 0.13 -0.11 0.03 -0.40 0.07 0.26 0.28 0.02 -0.20 0.06 -0.17 0.04 0.10 0.09 0.04 -0.10 0.01 0.05 -0.04 0.02 -0.08 0.02 0.05 0.04 -0.04 -0.06 0.08 -0.11 0.04 -0.04 -0.08 -0.03 0.01 0.07 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.04 -0.03 0.03 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.04 -0.01 -0.03 0.01 0.01 -0.02 -0.01 0.02 -0.03 -0.02 0.04 -0.01 -0.01 0.02 -0.02 -0.06 0.14 -0.01 -0.04 0.00 0.01 -0.04 -0.03 0.04 0.02 -0.12 0.01 -0.00 0.02 -0.00 0.00 -0.00 0.01 0.01 0.09 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.01 0.07 -0.03 -0.01 0.01 0.01 0.03 0.01 0.08 -0.15 0.36 -0.25 0.07 0.19 -0.00 -0.04 -0.01 0.04 -0.06 -0.07 -0.05 0.04 -0.30 0.19 0.20 -0.07 -0.02 0.01 -0.01 0.12 -0.21 0.37 0.06 -0.04 -0.19 -0.20 0.31 0.22 0.00 0.02 0.00 0.00 -0.00 0.04 -0.01 -0.01 -0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.07 0.02 -0.05 0.07 -0.05 -0.02 -0.01 0.00 0.15 -0.12 0.11 0.04 0.02 -0.03 -0.03 0.00 0.02 -0.03 -0.01 -0.01 0.03 0.01 0.03 0.02 -0.07 0.01 -0.00 -0.00 -0.04 0.02 0.02 -0.02 -0.02 -0.03 -0.03 -0.02 0.04 0.01 -0.05 0.01 0.01 -0.06 0.03 -0.00 -0.07 0.05 0.00 -0.07 0.03 -0.01 0.00 0.08 0.03 -0.05 0.05 -0.06 -0.05 0.05 -0.08 0.04 -0.01 -0.00 0.00 -0.02 -0.00 0.01 -0.01 -0.04 0.05 -0.04 0.03 -0.04 -0.00 -0.01 0.02 0.02 0.01 0.01 0.03 0.08 0.06 0.00 -0.03 -0.10 0.06 0.01 -0.04 0.04 0.01 0.02 -0.05 0.00 0.07 0.06 0.12 -0.05 0.17 0.05 -0.03 0.04 -0.08 -0.02 0.04 -0.13 0.07 -0.01 0.06 0.04 -0.07 -0.03 -0.03 0.02 -0.05 0.05 -0.40 0.33 0.21 -0.13 -0.39 -0.12 0.35 0.18 0.10 0.01 0.06 -0.03 0.04 0.10 0.01 0.06 0.13 0.02 0.00 -0.08 0.10 0.00 -0.05 0.09 0.00 -0.03 -0.01 0.02 -0.01 0.03 -0.04 -0.02 -0.04 0.03 -0.01 -0.02 0.02 -0.04 -0.00 -0.01 0.05 -0.06 -0.00 0.06 -0.08 0.01 -0.03 0.06 0.03 0.05 0.02 -0.02 0.01 -0.01 0.01 -0.08 0.06 -0.01 -0.03 -0.04 -0.04 -0.07 -0.03 -0.04 0.04 -0.03 0.01 0.04 -0.01 -0.00 0.04 -0.02 -0.00 0.05 -0.01 -0.00 0.04 0.00 -0.03 -0.01 0.01 -0.02 -0.02 0.02 -0.02 -0.02 -0.01 0.05 0.00 -0.00 -0.00 -0.00 0.02 -0.03 -0.08 0.01 0.02 -0.04 -0.08 -0.03 -0.02 0.04 0.00 0.03 0.03 0.04 0.16 0.14 0.01 -0.07 -0.03 0.00 0.07 -0.02 -0.00 0.04 0.01 0.02 -0.01 -0.03 -0.04 -0.03 0.01 -0.04 -0.01 0.03 -0.03 -0.06 0.05 -0.04 -0.07 -0.05 0.06 -0.11 -0.00 0.16 0.04 -0.06 0.00 -0.09 -0.04 0.30 -0.31 -0.10 0.08 0.30 0.18 -0.31 -0.17 0.21 0.01 0.13 -0.00 0.06 0.21 -0.02 0.08 0.28 0.06 -0.05 -0.15 0.20 0.02 -0.07 0.22 0.03 -0.10 0.02 -0.02 -0.02 0.01 -0.01 -0.05 0.00 0.07 -0.06 0.12 -0.05 -0.03 0.03 -0.02 0.06 0.02 0.01 -0.00 0.04 0.01 0.01 -0.04 -0.01 -0.03 0.04 -0.12 0.03 0.00 0.02 0.04 -0.03 -0.02 0.02 0.02 0.03 0.04 0.03 -0.02 -0.01 -0.07 0.01 0.06 -0.06 0.02 0.06 -0.09 0.03 0.07 -0.07 0.02 0.06 -0.01 0.02 0.04 -0.03 0.01 -0.06 -0.00 -0.00 -0.09 0.02 0.08 -0.02 0.02 -0.03 0.01 -0.01 0.01 0.05 0.05 0.02 -0.03 0.05 0.01 0.01 -0.02 -0.02 -0.01 -0.02 -0.03 -0.08 -0.08 -0.01 0.04 -0.12 0.05 0.12 -0.06 0.02 0.07 -0.01 0.02 -0.00 0.02 -0.03 0.12 -0.07 0.09 0.06 0.01 -0.01 -0.14 0.06 -0.03 -0.21 -0.02 0.09 -0.19 0.05 0.24 0.03 0.03 0.05 0.03 0.00 0.31 -0.31 -0.07 0.08 0.32 0.22 -0.32 -0.17 -0.12 0.00 -0.07 0.03 -0.05 -0.10 -0.01 -0.07 -0.15 -0.03 0.01 0.09 -0.13 -0.01 0.05 -0.12 -0.01 0.04 0.00 -0.04 0.00 -0.05 0.01 0.03 0.16 -0.10 0.01 -0.03 -0.03 0.11 0.06 -0.04 0.02 -0.06 0.00 0.08 0.01 0.01 0.00 0.02 0.01 0.01 -0.03 0.11 -0.01 -0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 0.02 -0.00 0.02 -0.02 0.01 -0.01 -0.04 -0.11 -0.01 -0.03 -0.10 -0.03 -0.01 -0.14 -0.01 -0.02 -0.11 -0.02 0.02 0.11 -0.10 0.04 -0.00 -0.10 0.05 0.02 0.04 0.08 -0.07 -0.02 0.03 0.02 0.00 0.00 0.00 0.06 0.03 0.00 0.01 0.00 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 0.03 0.00 -0.00 -0.02 -0.02 -0.19 0.01 -0.02 -0.10 -0.01 0.01 0.04 0.07 -0.01 0.25 -0.17 0.11 0.14 -0.14 0.07 0.08 -0.14 0.10 0.15 -0.02 0.10 -0.31 0.14 0.31 0.00 -0.02 -0.05 0.02 0.07 0.28 -0.20 -0.07 0.09 0.29 0.15 -0.23 -0.10 -0.02 0.01 -0.01 0.03 -0.02 0.00 -0.01 -0.03 -0.03 0.02 -0.01 -0.01 0.04 0.01 -0.00 0.04 0.01 -0.01 -0.00 0.00 -0.03 0.01 -0.06 0.02 0.11 0.02 -0.06 -0.04 0.02 -0.03 0.01 0.14 0.10 -0.06 0.01 0.08 0.01 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.02 0.01 -0.01 -0.01 0.02 -0.01 0.02 0.00 0.01 -0.00 0.01 0.01 0.03 -0.00 -0.05 -0.03 -0.00 -0.02 -0.04 0.01 -0.05 -0.02 -0.02 -0.01 -0.03 0.01 0.04 -0.07 -0.07 -0.04 -0.01 -0.03 -0.02 -0.01 0.00 -0.02 0.10 0.10 -0.01 0.01 0.03 -0.00 0.01 0.01 0.09 -0.12 -0.10 0.02 0.01 0.01 0.00 0.01 0.00 -0.01 -0.01 -0.02 0.00 0.00 0.01 -0.06 -0.03 -0.04 0.00 -0.03 0.01 -0.02 0.04 0.02 -0.10 -0.03 -0.27 0.21 -0.21 -0.11 -0.04 0.01 -0.05 -0.00 0.01 0.00 -0.12 0.12 0.10 -0.04 0.11 0.11 -0.01 -0.01 0.01 -0.16 -0.44 -0.05 0.37 -0.21 -0.39 0.15 0.05 -0.07 -0.04 0.01 -0.02 0.01 -0.01 -0.02 0.00 -0.02 -0.05 0.00 0.02 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.05 0.08 0.10 -0.05 -0.11 0.03 -0.06 -0.09 0.20 0.04 0.10 -0.01 0.03 0.06 0.05 0.30 0.04 -0.12 -0.10 -0.02 -0.02 -0.07 -0.03 -0.06 0.11 -0.07 0.09 0.11 0.02 -0.01 0.00 -0.02 -0.07 -0.03 -0.03 -0.05 -0.08 -0.02 -0.04 -0.04 0.01 -0.03 -0.06 -0.02 -0.07 -0.02 0.00 -0.10 -0.04 0.01 -0.09 -0.01 -0.13 0.04 -0.06 0.04 -0.03 -0.10 0.06 0.00 -0.01 0.08 -0.01 0.16 0.01 0.04 0.04 -0.01 -0.04 0.07 -0.04 -0.04 -0.08 -0.02 -0.02 -0.05 -0.02 -0.05 -0.03 0.03 0.12 -0.13 -0.03 -0.01 -0.02 -0.01 -0.15 -0.01 0.01 -0.11 0.12 0.01 0.03 -0.04 -0.13 0.02 -0.03 -0.15 0.04 -0.08 0.04 0.00 -0.14 0.08 0.08 -0.18 0.11 -0.19 0.08 0.27 0.05 0.06 0.01 -0.02 -0.04 -0.11 -0.08 0.17 -0.07 -0.08 0.13 -0.05 -0.06 0.11 0.02 0.09 -0.06 0.04 0.19 -0.06 0.05 0.20 -0.08 -0.00 0.04 -0.17 -0.03 0.00 -0.17 -0.03 0.00 -0.03 -0.10 -0.10 0.02 0.07 -0.03 0.07 0.00 -0.17 -0.19 -0.06 0.13 -0.00 -0.02 -0.01 0.21 0.07 0.14 -0.10 -0.02 -0.00 -0.07 -0.03 -0.08 0.03 0.22 0.04 0.13 0.00 0.02 0.02 -0.01 -0.07 -0.01 -0.01 -0.04 -0.05 -0.03 -0.04 0.03 -0.06 -0.05 0.03 -0.02 0.05 -0.07 0.01 0.11 -0.01 -0.01 0.14 0.01 0.09 -0.03 0.01 -0.02 -0.01 0.08 -0.04 -0.07 0.01 -0.03 0.01 0.20 0.13 0.12 0.07 0.00 -0.03 -0.02 0.01 0.01 -0.06 -0.01 -0.01 -0.03 -0.02 -0.05 -0.05 0.02 0.11 -0.14 -0.03 -0.00 -0.14 0.05 0.24 -0.05 0.01 0.23 -0.03 0.04 0.24 0.03 0.10 -0.01 0.01 0.11 -0.02 0.01 -0.00 -0.04 0.16 -0.05 -0.19 0.11 -0.05 0.11 -0.05 -0.13 -0.02 0.05 -0.07 0.03 0.02 0.03 0.03 -0.05 0.02 0.02 -0.03 0.02 0.02 0.07 0.01 0.09 -0.08 0.04 0.16 -0.07 0.05 0.18 -0.07 0.00 0.07 -0.20 -0.03 0.01 -0.19 -0.04 0.01 -0.10 -0.03 0.05 0.03 0.06 -0.03 0.13 0.16 -0.08 0.06 -0.08 -0.15 -0.01 -0.02 -0.02 0.09 0.03 -0.00 -0.05 -0.01 -0.02 0.03 -0.00 -0.03 -0.07 -0.05 0.07 0.01 0.02 0.07 0.01 -0.01 -0.04 -0.01 -0.01 -0.01 -0.02 -0.02 -0.03 -0.14 0.02 0.22 0.01 -0.01 0.09 0.03 -0.06 -0.16 0.12 -0.10 -0.13 0.02 0.10 -0.01 -0.03 -0.01 0.01 -0.03 0.01 0.14 0.03 -0.00 0.00 0.02 0.01 0.09 0.02 -0.00 -0.00 -0.03 0.01 0.01 -0.03 -0.01 -0.02 0.01 -0.01 -0.04 -0.03 0.01 0.05 0.02 0.00 0.00 0.17 -0.13 -0.42 0.24 -0.16 -0.37 -0.19 0.14 0.05 0.02 0.07 0.02 0.03 0.13 -0.00 -0.02 0.01 -0.05 -0.05 0.08 0.25 0.11 -0.02 0.06 -0.01 -0.07 -0.02 -0.07 0.04 0.06 0.02 0.04 0.03 -0.06 0.02 0.03 -0.05 0.02 0.02 0.04 0.01 0.03 -0.04 0.02 0.08 -0.04 0.02 0.08 0.04 0.01 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.03 -0.01 -0.07 0.03 -0.04 -0.03 -0.13 -0.06 -0.03 -0.05 0.00 0.13 -0.01 0.00 -0.00 -0.13 -0.02 0.08 -0.02 0.02 0.09 -0.06 -0.03 -0.09 0.08 0.01 -0.09 0.06 -0.01 -0.13 0.07 0.01 -0.00 0.13 0.01 -0.04 0.12 0.03 0.05 -0.10 0.10 0.21 -0.08 0.08 0.13 0.09 -0.01 -0.08 0.03 0.01 -0.12 0.02 -0.05 0.01 0.00 0.00 0.06 -0.03 0.01 0.04 0.00 0.01 0.00 0.03 -0.00 -0.10 0.07 0.00 -0.04 -0.02 0.00 0.00 0.09 0.03 0.05 0.03 0.01 0.03 -0.07 0.01 0.09 -0.17 -0.03 0.00 0.26 -0.09 -0.35 0.14 -0.06 -0.43 0.07 0.02 -0.08 -0.01 -0.07 -0.00 0.04 -0.04 0.01 0.05 -0.05 -0.01 -0.03 -0.05 -0.02 -0.04 0.01 -0.05 0.04 0.05 0.01 0.11 -0.02 -0.12 -0.01 0.01 0.00 -0.02 0.00 0.01 -0.03 -0.00 0.00 -0.07 0.01 0.09 -0.06 0.01 0.08 -0.06 0.02 0.08 -0.06 0.01 0.10 -0.24 -0.03 0.02 -0.23 -0.04 0.02 0.03 -0.02 -0.06 0.01 -0.03 -0.03 -0.06 -0.03 -0.04 -0.05 -0.00 0.08 -0.00 0.00 0.00 0.10 0.03 0.05 0.12 -0.01 -0.13 -0.08 0.03 0.20 0.07 0.05 0.02 0.04 -0.01 -0.06 -0.04 0.01 0.08 -0.16 -0.03 0.01 -0.14 0.00 0.05 -0.05 0.06 0.12 -0.06 0.05 0.10 0.06 -0.00 -0.05 0.01 0.01 -0.06 0.01 -0.03 0.01 -0.00 0.01 0.05 -0.02 0.00 0.01 -0.00 0.00 -0.00 0.11 0.04 0.02 -0.06 -0.01 0.01 -0.00 -0.00 0.00 -0.12 -0.04 -0.06 -0.08 0.02 0.11 0.19 -0.04 -0.23 0.04 -0.00 -0.04 0.17 -0.06 -0.23 0.10 -0.04 -0.27 0.06 -0.02 0.08 -0.01 -0.05 0.01 0.01 -0.01 0.01 0.03 -0.02 0.01 0.01 -0.04 -0.07 -0.03 0.01 -0.03 0.02 0.03 0.01 0.05 -0.06 -0.05 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.08 -0.04 -0.20 0.20 -0.04 -0.25 0.19 -0.06 -0.26 -0.14 -0.07 -0.21 0.19 0.01 -0.07 0.19 0.02 -0.07 0.06 0.01 0.07 -0.04 0.10 -0.04 -0.05 0.05 0.08 -0.09 0.07 -0.09 0.05 -0.02 0.01 -0.05 -0.01 0.00 0.04 0.01 0.00 -0.08 -0.00 0.05 0.09 0.01 -0.03 0.03 -0.02 -0.12 0.04 0.01 0.03 0.04 -0.01 -0.04 0.04 0.03 0.08 -0.04 -0.16 0.03 0.04 -0.18 0.04 -0.14 -0.06 -0.05 0.09 -0.17 0.08 -0.10 0.18 -0.03 -0.08 0.04 -0.06 0.05 0.03 0.03 -0.03 -0.02 -0.03 0.02 -0.01 -0.07 0.02 -0.01 -0.06 0.09 -0.00 -0.01 0.02 0.01 0.01 -0.01 0.02 0.09 0.04 -0.00 -0.04 -0.10 -0.02 -0.02 -0.25 -0.05 -0.08 0.19 -0.17 0.17 0.15 -0.02 -0.07 -0.01 0.14 0.12 -0.21 0.28 -0.00 -0.12 0.15 -0.10 0.14 0.18 0.08 0.11 -0.05 0.15 -0.19 -0.18 -0.06 0.05 -0.03 -0.12 0.05 -0.01 -0.04 0.09 -0.01 -0.02 0.12 -0.01 -0.02 0.00 -0.01 -0.03 0.05 -0.01 -0.06 0.05 -0.01 -0.05 -0.12 -0.03 -0.04 -0.07 -0.02 -0.02 -0.07 -0.02 -0.02 -0.03 0.07 -0.03 0.13 0.02 0.07 0.02 -0.08 0.03 0.07 0.04 0.05 -0.10 -0.02 -0.05 -0.01 0.01 0.02 0.01 0.00 -0.01 -0.03 -0.00 0.03 0.03 -0.06 0.01 0.02 -0.00 -0.04 0.02 0.01 0.01 0.01 -0.01 -0.02 0.01 0.01 0.03 -0.08 0.02 -0.06 0.11 -0.01 -0.02 -0.15 0.00 -0.03 -0.01 -0.09 0.04 0.22 0.06 -0.01 -0.15 -0.07 -0.12 -0.05 -0.06 0.03 0.15 0.07 0.07 0.02 -0.01 -0.01 0.01 -0.01 -0.02 -0.18 0.02 0.03 -0.00 -0.00 -0.00 -0.01 0.01 0.04 0.03 -0.00 -0.02 -0.04 -0.01 -0.01 -0.12 0.01 0.08 -0.09 -0.07 0.07 -0.04 0.14 -0.05 0.10 0.12 -0.23 0.43 -0.11 -0.06 -0.15 -0.05 -0.16 -0.02 0.05 0.10 0.24 0.05 0.02 0.24 0.07 0.06 0.01 0.01 -0.05 -0.03 0.08 0.11 -0.25 0.05 0.08 -0.27 0.05 0.06 0.01 -0.00 -0.02 0.03 -0.00 -0.02 0.02 -0.01 -0.03 -0.05 -0.01 -0.02 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 0.06 0.07 -0.08 0.04 0.02 -0.06 -0.04 -0.12 0.02 0.01 0.10 0.08 0.01 -0.01 0.00 0.00 -0.01 -0.03 -0.01 0.01 0.04 0.12 0.00 -0.07 0.03 -0.02 0.01 -0.03 0.02 0.09 -0.08 -0.02 -0.02 -0.06 0.01 0.10 -0.07 -0.04 -0.12 -0.04 -0.06 -0.03 -0.06 -0.02 0.22 -0.04 -0.08 -0.14 0.04 -0.07 0.08 -0.01 0.08 -0.03 -0.15 0.04 0.12 0.10 -0.04 -0.08 0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.05 0.01 0.10 0.01 0.00 0.00 -0.01 0.00 0.02 0.00 -0.03 -0.13 -0.06 0.00 0.04 0.15 0.04 0.04 0.06 -0.13 -0.36 0.17 -0.13 -0.13 0.07 -0.05 -0.01 -0.00 0.04 0.03 -0.03 0.12 -0.02 -0.20 0.13 0.14 0.30 -0.04 -0.37 0.08 -0.01 0.08 -0.07 -0.08 -0.02 0.03 0.01 0.10 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.07 0.00 0.04 -0.06 -0.00 0.03 -0.05 0.00 0.02 0.18 0.05 0.06 0.10 0.02 0.04 0.10 0.03 0.03 0.09 -0.12 0.13 0.05 -0.03 -0.03 -0.01 0.16 0.04 -0.12 -0.05 -0.13 -0.05 0.00 -0.02 -0.00 -0.02 -0.04 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.11 -0.02 -0.02 -0.00 -0.01 0.00 -0.00 -0.01 0.02 0.01 -0.01 0.02 0.00 0.01 0.10 -0.04 -0.05 -0.06 0.03 0.11 0.06 0.08 -0.09 -0.12 -0.03 0.03 0.14 -0.05 0.01 -0.12 0.06 0.08 -0.08 -0.00 -0.18 0.09 0.04 0.05 -0.03 0.01 -0.02 -0.00 0.00 -0.02 -0.10 0.01 0.01 0.01 0.01 0.01 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.08 0.05 -0.21 -0.04 -0.06 -0.08 0.20 -0.33 0.06 0.06 -0.01 -0.13 0.29 -0.10 -0.01 -0.13 -0.03 0.21 0.05 -0.05 -0.41 0.06 0.06 -0.08 0.22 0.14 0.06 0.00 -0.10 0.01 -0.03 0.03 0.05 -0.13 0.02 0.04 -0.15 0.02 0.03 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.15 -0.06 -0.02 -0.01 0.01 0.04 -0.11 0.05 -0.02 -0.12 0.02 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.02 0.02 0.05 0.09 0.00 -0.06 0.08 0.06 -0.04 0.01 0.01 0.02 -0.08 -0.02 -0.01 -0.07 0.01 0.10 -0.08 -0.04 -0.11 -0.04 0.01 0.18 0.06 -0.07 -0.11 -0.06 0.08 0.11 0.01 -0.08 -0.09 0.03 0.00 0.02 0.05 -0.02 -0.20 -0.14 0.06 0.12 0.03 0.01 0.01 0.02 0.00 -0.05 -0.05 0.02 0.09 -0.02 0.00 0.00 -0.02 0.01 0.03 -0.01 -0.03 -0.12 -0.05 -0.00 0.02 0.13 0.03 0.03 -0.13 0.10 0.17 0.01 -0.06 0.01 0.19 -0.14 0.01 0.02 0.04 -0.04 0.08 -0.03 0.01 0.15 -0.12 -0.35 -0.26 0.18 0.41 0.03 0.02 -0.02 0.07 0.04 0.02 0.12 -0.01 0.04 -0.00 0.01 0.02 -0.03 0.01 0.01 -0.04 0.01 0.01 -0.10 -0.00 0.03 -0.03 -0.01 -0.01 -0.03 -0.01 -0.02 0.15 0.04 0.05 0.09 0.02 0.03 0.09 0.03 0.03 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.01 -0.06 0.02 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.02 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 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.14 0.46 -0.14 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.18 0.82 -0.20 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.03 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 -0.19 -0.11 -0.30 0.07 -0.04 -0.22 -0.01 -0.00 -0.01 0.02 0.01 0.03 0.04 0.09 0.35 -0.15 -0.01 0.07 0.16 0.04 0.06 0.01 -0.00 0.01 0.00 -0.01 0.01 0.00 0.02 -0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.06 0.03 0.14 0.00 -0.00 -0.00 -0.04 -0.05 -0.16 0.17 0.05 0.07 0.05 0.00 -0.02 -0.05 -0.00 0.02 -0.00 0.01 -0.01 0.01 -0.02 0.00 -0.03 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.11 0.01 0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.44 0.02 -0.12 -0.05 0.05 0.19 -0.05 0.05 0.20 0.18 0.09 0.24 -0.23 -0.02 0.06 -0.23 -0.04 0.06 0.00 -0.02 0.01 0.01 0.00 0.01 0.00 0.01 0.00 -0.02 -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 0.03 -0.04 0.01 0.01 0.01 -0.03 -0.01 0.02 0.00 -0.01 -0.02 0.02 -0.01 -0.00 -0.01 0.02 0.00 -0.01 0.01 -0.00 -0.00 0.02 0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.06 -0.04 -0.00 -0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 0.02 0.02 0.00 -0.02 -0.00 0.02 -0.26 0.78 -0.23 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.01 -0.01 0.04 -0.01 0.00 -0.03 -0.00 -0.00 0.01 -0.02 -0.02 -0.01 0.14 -0.48 0.09 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.18 -0.02 0.10 0.00 -0.01 -0.01 0.03 -0.00 0.02 0.04 -0.01 0.02 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.03 0.01 0.00 -0.01 0.00 0.02 0.01 -0.01 -0.01 0.02 0.00 -0.02 0.01 0.00 0.01 0.08 0.14 0.01 0.16 0.05 0.07 0.05 0.25 -0.04 -0.04 -0.17 0.02 -0.13 -0.02 -0.02 -0.16 -0.03 -0.08 -0.13 -0.06 -0.05 -0.14 -0.06 -0.06 -0.01 -0.01 0.02 0.01 0.00 -0.01 0.08 -0.01 -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 0.17 0.24 0.01 -0.16 -0.16 -0.03 0.04 -0.18 0.06 -0.11 -0.11 0.12 -0.36 -0.04 -0.00 -0.10 -0.22 -0.00 -0.02 0.09 -0.02 -0.06 -0.09 0.16 -0.33 -0.25 -0.10 -0.05 0.08 0.00 0.01 -0.02 -0.05 0.10 -0.01 -0.03 0.14 -0.02 -0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.14 -0.01 -0.09 -0.03 0.01 -0.02 -0.04 -0.05 -0.06 -0.04 0.06 0.06 -0.01 0.00 -0.01 0.07 -0.01 -0.13 -0.11 -0.05 -0.13 -0.08 0.02 0.17 -0.04 0.01 0.11 -0.19 0.03 0.23 -0.04 -0.01 -0.08 0.18 -0.00 -0.11 0.16 0.04 0.04 0.01 -0.04 0.06 -0.04 -0.04 0.03 -0.01 0.01 0.04 0.01 -0.05 -0.02 0.02 0.01 0.00 0.03 0.02 -0.04 -0.04 0.04 0.02 0.03 0.01 0.01 -0.15 0.01 0.10 -0.01 -0.03 -0.04 -0.01 0.00 0.00 0.11 0.01 -0.08 -0.05 0.00 0.05 -0.00 0.01 0.03 -0.02 -0.00 -0.00 -0.03 0.00 -0.03 0.11 -0.07 -0.07 -0.06 0.32 -0.07 0.02 0.02 -0.02 0.07 0.02 0.00 0.08 -0.02 -0.12 -0.03 0.05 0.03 0.02 0.02 -0.03 0.07 0.04 0.02 -0.28 -0.29 0.29 0.00 0.01 0.01 -0.02 0.00 0.01 -0.03 0.00 0.01 0.23 0.02 -0.03 -0.05 0.03 0.15 -0.06 0.04 0.16 -0.17 -0.06 -0.14 0.10 0.01 -0.03 0.10 0.02 -0.03 0.07 -0.08 0.05 0.14 -0.01 0.08 -0.00 0.06 0.04 -0.07 -0.07 -0.02 0.01 -0.01 0.01 0.01 -0.01 -0.03 -0.04 -0.02 -0.04 -0.02 0.01 0.05 0.11 0.05 0.01 -0.03 -0.02 -0.01 -0.08 -0.01 0.01 0.05 0.01 0.01 0.07 0.01 -0.02 -0.19 0.13 -0.10 0.05 0.19 -0.07 -0.14 -0.16 -0.04 0.05 0.27 -0.04 -0.05 0.03 -0.02 -0.13 -0.11 -0.02 0.14 -0.12 0.08 -0.07 -0.01 -0.04 -0.01 0.04 -0.03 -0.06 -0.01 0.03 0.03 -0.00 -0.00 0.07 0.01 -0.03 -0.04 -0.02 -0.02 -0.03 0.00 0.02 0.04 0.01 0.02 0.01 -0.18 0.02 -0.27 0.31 -0.13 0.16 0.05 -0.03 -0.04 -0.04 0.06 -0.20 -0.02 -0.01 -0.22 0.14 -0.11 0.08 -0.18 0.09 0.03 -0.04 0.14 -0.23 -0.17 -0.07 0.01 -0.00 -0.01 0.00 -0.00 -0.02 0.03 -0.00 -0.01 0.06 -0.01 -0.01 0.08 0.01 -0.00 -0.04 0.01 0.07 -0.04 0.02 0.07 -0.03 -0.02 -0.04 0.08 0.01 0.01 0.08 0.02 0.00 0.01 -0.01 0.01 0.03 -0.01 -0.03 0.01 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.03 0.01 0.03 0.02 -0.01 -0.04 -0.00 0.01 0.03 -0.02 -0.01 -0.01 0.03 0.01 0.01 -0.03 -0.00 -0.01 -0.02 -0.00 0.02 0.10 -0.05 -0.24 -0.13 0.10 0.26 -0.07 0.01 0.10 0.05 0.00 -0.10 -0.01 0.00 -0.00 0.04 -0.04 -0.13 -0.06 0.02 0.15 -0.01 -0.00 -0.00 -0.03 0.02 0.01 0.01 -0.03 -0.02 0.01 -0.00 0.00 -0.03 -0.00 0.02 0.03 0.02 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.14 0.05 0.25 0.28 -0.14 -0.66 -0.00 0.06 -0.02 -0.02 -0.02 0.01 -0.00 0.02 0.00 0.10 -0.05 -0.28 0.00 -0.01 0.03 0.00 -0.00 0.01 -0.03 -0.02 -0.01 -0.06 -0.03 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.06 -0.00 0.01 0.02 -0.01 -0.04 0.02 -0.01 -0.04 0.04 0.02 0.04 -0.05 -0.01 0.00 -0.05 -0.01 0.00 -0.12 0.03 0.03 -0.04 0.00 -0.04 0.03 0.00 0.02 0.03 -0.02 -0.01 -0.00 0.00 -0.00 0.01 -0.02 0.07 -0.09 -0.02 -0.11 -0.07 0.06 0.14 0.11 -0.03 -0.06 0.09 -0.12 -0.10 -0.19 -0.08 0.03 0.11 -0.03 0.08 0.13 0.07 -0.11 0.08 -0.04 -0.06 -0.04 -0.02 0.10 0.03 0.06 0.03 0.00 -0.08 -0.01 0.01 -0.01 0.01 0.06 0.02 -0.03 -0.05 0.03 0.01 0.01 -0.00 0.01 0.10 0.13 -0.10 -0.18 0.29 0.04 -0.00 0.00 -0.00 0.19 -0.06 -0.05 -0.10 -0.22 -0.04 -0.07 0.01 0.05 0.09 0.03 0.04 -0.06 0.09 0.12 0.14 -0.13 -0.11 0.04 -0.09 0.05 0.00 -0.00 -0.01 0.06 0.01 0.01 0.06 -0.05 0.04 -0.03 0.05 0.02 -0.03 0.01 -0.05 0.06 0.05 0.02 0.25 0.11 -0.13 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.18 0.00 -0.01 -0.10 0.02 0.16 -0.12 0.04 0.18 -0.11 -0.06 -0.14 0.20 0.03 0.00 0.24 0.06 0.01 0.08 -0.02 -0.03 0.02 -0.00 0.02 -0.02 -0.00 -0.02 -0.01 0.02 0.01 -0.00 -0.00 0.00 0.02 -0.06 -0.04 0.06 0.09 0.07 0.04 0.05 -0.13 -0.06 -0.05 0.08 -0.03 -0.17 0.11 0.14 -0.06 0.01 -0.05 -0.14 -0.03 -0.11 0.15 0.05 -0.05 0.02 0.03 0.02 0.01 -0.05 -0.02 -0.03 -0.01 -0.00 0.05 0.00 -0.01 0.01 -0.00 -0.03 -0.01 0.01 0.02 -0.02 -0.01 -0.01 0.00 -0.00 -0.14 0.17 0.02 -0.04 0.52 -0.21 0.00 0.01 -0.00 -0.09 -0.21 0.10 0.14 -0.26 0.12 0.05 0.00 -0.03 -0.05 -0.01 -0.03 0.03 -0.05 -0.07 -0.07 0.07 0.05 -0.07 0.11 -0.02 -0.01 0.00 0.00 -0.03 -0.00 -0.00 -0.03 0.02 -0.04 0.02 -0.03 -0.01 0.02 -0.00 0.03 -0.04 -0.03 -0.01 -0.23 -0.09 0.07 0.00 0.01 -0.01 -0.01 0.01 0.02 0.01 -0.02 -0.01 -0.14 -0.04 0.03 0.10 -0.02 -0.15 0.06 -0.03 -0.10 0.10 0.03 0.11 -0.19 -0.03 -0.01 -0.12 -0.03 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.15 0.05 0.01 -0.11 0.02 -0.01 0.07 -0.01 -0.01 -0.12 -0.00 0.05 -0.06 0.08 0.02 0.13 -0.05 0.01 -0.09 0.02 -0.03 -0.08 0.02 -0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.12 0.46 -0.12 0.08 -0.17 0.06 -0.00 -0.00 -0.00 -0.11 0.49 -0.12 0.06 -0.27 0.06 0.02 -0.01 -0.01 -0.03 -0.00 -0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.02 0.07 -0.40 0.11 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.27 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.02 -0.00 -0.00 -0.00 0.01 0.03 -0.03 -0.03 0.01 0.03 0.06 -0.01 -0.05 -0.02 -0.04 -0.00 -0.06 -0.02 -0.02 0.02 -0.00 -0.00 0.05 -0.01 0.03 0.03 -0.01 0.01 -0.03 0.02 0.04 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.16 0.01 0.08 -0.09 -0.04 -0.12 -0.04 0.03 0.13 -0.12 -0.05 -0.16 0.22 0.11 0.25 0.12 -0.02 -0.13 0.03 0.01 0.06 -0.14 -0.02 -0.08 0.00 -0.01 -0.05 -0.03 0.03 0.04 -0.02 -0.03 -0.00 0.01 0.03 -0.02 -0.00 0.01 -0.01 -0.00 -0.01 -0.03 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.04 -0.10 -0.09 0.24 0.14 0.12 0.00 0.00 0.00 -0.03 -0.05 0.00 -0.00 -0.03 -0.03 0.04 -0.00 -0.04 -0.10 -0.03 -0.04 -0.06 -0.00 0.10 -0.01 0.03 -0.06 -0.20 0.08 -0.18 -0.00 -0.00 0.01 -0.03 0.01 -0.00 -0.07 0.04 0.06 -0.03 -0.01 0.06 0.03 -0.00 0.03 -0.04 -0.03 -0.01 0.46 0.08 0.29 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.22 0.00 -0.08 -0.00 0.02 0.06 -0.02 0.02 0.07 -0.20 -0.07 -0.13 0.01 -0.01 -0.06 0.01 -0.01 -0.06 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.02 0.00 -0.01 -0.00 0.00 0.00 0.02 -0.16 0.05 -0.03 0.07 -0.04 0.01 -0.09 0.04 0.01 -0.13 0.00 0.04 -0.08 0.06 0.03 -0.10 -0.00 -0.02 0.14 -0.03 -0.01 -0.03 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.12 0.50 -0.12 0.05 -0.09 0.04 0.00 -0.00 0.00 0.06 -0.36 0.09 -0.08 0.44 -0.10 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.02 -0.01 -0.04 0.01 -0.01 0.01 0.10 -0.45 0.13 0.00 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.01 -0.04 0.02 0.00 -0.03 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.03 0.05 0.03 -0.00 -0.01 0.01 0.00 -0.01 -0.03 -0.00 0.01 0.01 0.04 -0.02 -0.00 0.02 -0.00 -0.01 -0.04 0.01 0.04 -0.04 0.03 -0.03 0.05 0.01 0.00 -0.05 -0.01 -0.02 0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -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 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.02 -0.04 0.02 0.08 0.02 -0.01 -0.05 0.02 -0.01 -0.05 0.01 -0.00 -0.01 0.03 -0.02 -0.06 0.02 -0.01 -0.05 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.18 0.09 0.35 -0.14 0.08 0.29 0.01 -0.02 0.01 0.02 -0.01 0.01 -0.02 0.01 -0.00 -0.30 0.16 0.59 -0.21 0.11 0.42 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.18 -0.11 0.12 -0.00 -0.01 -0.01 0.01 0.02 -0.00 0.00 -0.02 0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.01 -0.01 0.00 -0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.01 -0.11 0.02 -0.03 -0.05 0.01 -0.00 -0.15 0.05 -0.10 0.06 -0.08 -0.01 0.15 -0.05 0.14 0.06 0.06 -0.17 0.13 -0.12 0.02 0.08 -0.04 0.01 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.16 -0.15 -0.07 -0.05 0.07 -0.02 -0.04 -0.05 0.03 -0.04 0.01 0.06 -0.24 0.03 -0.05 0.18 -0.02 0.06 -0.31 -0.06 -0.15 0.36 0.01 0.36 -0.29 -0.30 -0.13 -0.01 0.00 -0.02 0.01 0.02 -0.01 -0.04 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 0.01 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.06 0.02 0.01 -0.07 0.02 -0.01 0.00 0.01 0.01 -0.05 0.01 0.06 -0.31 0.08 0.06 -0.30 0.07 0.04 -0.32 0.07 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.03 0.01 -0.07 0.40 -0.10 -0.00 -0.01 0.00 -0.08 0.43 -0.11 -0.08 0.49 -0.11 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.01 0.01 -0.00 -0.01 -0.06 0.13 -0.03 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.02 0.00 0.01 -0.02 0.00 -0.02 0.02 0.01 0.01 0.01 -0.07 0.01 -0.00 -0.01 0.00 0.02 -0.01 -0.01 -0.01 0.02 0.01 -0.01 0.02 -0.00 -0.04 0.01 0.01 0.05 0.01 -0.04 -0.00 0.02 -0.00 0.04 0.03 0.02 -0.06 -0.00 -0.03 -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 0.08 0.11 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.02 -0.02 0.01 0.04 -0.02 0.02 0.05 0.04 -0.03 -0.07 0.11 -0.03 -0.06 -0.02 0.01 0.03 0.01 -0.00 -0.01 0.04 -0.06 -0.12 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.11 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.14 -0.07 -0.27 -0.18 0.10 0.41 0.01 0.01 -0.01 0.42 -0.06 0.33 -0.29 0.16 0.02 0.12 -0.06 -0.24 -0.03 0.03 0.10 -0.04 -0.04 0.01 -0.14 -0.08 -0.08 0.01 0.00 0.00 -0.26 -0.07 -0.08 -0.01 -0.02 -0.04 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 -0.14 0.01 0.01 0.00 -0.01 0.00 0.03 -0.01 -0.03 -0.02 -0.06 0.01 -0.00 -0.01 -0.01 -0.09 -0.05 -0.14 -0.05 -0.01 -0.02 0.02 0.00 -0.02 0.43 0.11 0.04 -0.02 0.03 0.14 0.06 0.00 -0.03 0.04 0.00 0.02 -0.09 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 0.00 0.01 -0.00 0.01 -0.02 -0.03 0.00 -0.01 0.01 0.00 0.05 0.02 0.02 -0.03 0.02 -0.02 0.00 0.01 0.01 -0.12 -0.03 0.02 0.05 0.02 0.02 0.01 0.00 0.00 -0.05 0.00 0.04 0.02 0.01 0.01 0.06 -0.00 -0.04 -0.03 -0.01 -0.02 -0.02 -0.00 -0.02 0.01 -0.03 0.03 0.73 0.10 -0.24 -0.04 -0.00 -0.02 0.01 -0.02 -0.01 0.07 -0.03 0.04 -0.05 0.01 -0.02 0.02 0.01 0.02 0.00 -0.00 0.00 0.06 0.04 0.16 0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.09 -0.00 -0.05 0.03 0.01 -0.00 0.03 0.01 -0.00 0.02 0.01 0.02 -0.05 -0.01 -0.01 -0.05 -0.01 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.07 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 -0.03 -0.03 0.02 0.06 -0.03 0.02 0.06 0.05 -0.02 -0.10 -0.06 0.01 0.03 -0.02 0.01 0.04 0.01 -0.01 -0.03 -0.02 0.04 0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.19 -0.10 -0.37 -0.29 0.16 0.59 -0.01 0.00 0.00 -0.23 0.03 -0.19 0.15 -0.10 -0.02 0.13 -0.08 -0.27 -0.09 0.05 0.18 0.03 0.03 -0.00 0.09 0.05 0.06 0.00 -0.00 -0.00 0.15 0.04 0.05 0.00 0.02 0.03 -0.02 0.02 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.02 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.02 0.02 0.06 -0.25 -0.01 0.06 -0.11 -0.08 -0.24 -0.03 -0.03 -0.11 0.01 0.01 0.05 -0.14 -0.06 -0.14 0.15 0.01 -0.06 -0.02 0.05 0.24 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.07 0.01 -0.03 -0.03 -0.01 -0.01 -0.00 -0.00 -0.00 -0.05 0.03 0.17 -0.16 -0.01 0.07 0.29 -0.01 -0.18 0.27 0.07 0.10 0.00 0.01 0.01 -0.01 0.00 0.01 -0.09 -0.02 -0.07 -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 0.00 0.01 -0.00 -0.01 -0.00 0.07 0.03 0.06 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.25 -0.01 -0.16 0.17 0.03 -0.06 0.18 -0.01 -0.05 0.40 0.12 0.22 0.02 0.02 0.12 0.01 0.04 0.11 -0.00 0.00 -0.00 0.13 0.20 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.01 0.08 0.04 0.03 -0.05 -0.16 0.02 -0.03 -0.01 -0.01 0.03 -0.10 0.06 0.04 0.02 0.01 -0.10 0.08 -0.08 -0.13 -0.17 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.14 -0.16 -0.05 0.02 0.00 0.03 -0.01 0.01 -0.00 0.11 0.08 -0.03 0.24 0.02 0.05 0.03 0.04 0.00 -0.16 0.03 -0.06 -0.55 -0.09 -0.45 0.14 0.28 0.13 0.00 0.00 0.00 -0.05 -0.05 -0.02 0.11 -0.01 -0.01 0.03 -0.03 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 0.02 0.05 -0.03 -0.11 0.03 -0.01 -0.06 0.00 -0.00 -0.00 -0.03 0.02 0.06 -0.03 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.33 0.17 0.63 -0.15 0.08 0.30 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.18 -0.10 -0.36 0.16 -0.09 -0.33 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.02 0.02 0.08 0.26 0.02 -0.07 -0.16 -0.05 -0.10 0.06 -0.05 -0.25 -0.00 0.05 0.24 -0.04 0.04 0.21 0.09 -0.05 -0.26 -0.08 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 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 -0.00 -0.01 -0.08 0.00 0.00 0.00 -0.06 -0.05 -0.14 -0.07 0.01 0.10 -0.21 0.02 0.15 0.18 0.05 0.09 0.01 -0.01 -0.03 0.01 -0.01 -0.01 0.16 0.00 -0.41 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.05 0.03 0.25 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.30 0.01 0.17 -0.08 -0.04 -0.04 -0.09 -0.01 -0.05 0.14 0.04 0.06 0.08 0.01 0.07 0.07 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 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.03 -0.02 0.02 0.04 -0.00 0.00 0.00 -0.04 0.02 0.08 0.06 -0.03 -0.11 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.11 0.06 0.20 0.13 -0.07 -0.28 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.23 -0.12 -0.45 -0.32 0.17 0.64 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 0.02 -0.00 -0.02 0.00 0.00 0.00 0.01 -0.01 -0.02 0.01 0.01 0.00 0.00 0.00 -0.00 -0.04 -0.03 -0.07 -0.12 -0.00 0.05 -0.01 -0.00 -0.00 -0.10 0.04 0.22 0.03 -0.02 -0.15 0.02 0.10 0.41 0.43 0.04 -0.17 -0.39 -0.12 -0.24 0.01 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.01 -0.02 0.06 0.02 0.05 -0.00 -0.00 0.00 0.06 0.01 0.04 -0.05 -0.02 -0.02 0.10 -0.00 -0.06 0.01 0.00 0.01 -0.01 0.01 0.02 -0.00 0.02 -0.01 -0.18 -0.03 0.35 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.02 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.12 0.01 -0.15 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.15 -0.00 -0.07 0.02 0.03 0.05 0.02 0.01 0.06 -0.02 -0.01 -0.03 0.05 0.00 -0.00 0.06 0.01 -0.00 0.05 0.04 -0.10 -0.00 0.01 -0.01 0.05 0.08 0.17 -0.06 -0.19 0.00 0.04 0.01 0.02 -0.08 -0.04 -0.10 0.09 -0.01 -0.08 -0.19 -0.05 -0.07 -0.05 0.05 0.26 0.11 0.02 -0.06 0.03 -0.01 -0.07 -0.06 -0.00 0.04 0.03 0.01 0.04 -0.18 0.18 -0.13 0.01 0.04 -0.00 -0.01 -0.04 -0.00 -0.04 -0.22 0.04 -0.05 -0.03 0.01 0.17 0.11 0.06 -0.00 0.00 -0.01 0.05 0.01 -0.01 -0.04 -0.03 -0.07 0.11 0.02 0.02 -0.05 -0.01 -0.01 -0.01 -0.00 -0.02 -0.04 0.00 0.04 -0.10 -0.00 0.04 0.16 0.05 0.09 0.02 -0.03 0.07 -0.05 -0.23 0.05 -0.14 0.02 0.40 -0.11 -0.02 -0.07 -0.04 -0.09 -0.01 0.17 0.18 0.00 0.01 0.02 0.02 0.10 -0.00 0.05 0.08 -0.05 -0.03 0.28 0.05 -0.05 -0.05 -0.01 -0.01 -0.03 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.05 -0.02 0.03 -0.06 0.02 0.02 0.06 0.01 0.01 0.07 0.00 0.06 0.06 0.05 0.05 -0.02 -0.02 0.03 -0.01 -0.02 0.02 -0.01 -0.06 -0.14 0.04 0.11 0.01 -0.09 -0.03 -0.04 -0.08 -0.04 -0.09 0.08 -0.01 -0.07 -0.18 -0.05 -0.07 -0.01 0.05 0.21 0.14 0.02 -0.07 0.04 -0.01 -0.07 -0.06 0.00 0.06 0.03 0.01 0.03 0.15 -0.16 0.13 -0.01 -0.04 0.00 0.01 0.05 -0.00 0.04 0.20 -0.03 0.12 0.03 -0.03 -0.15 -0.10 -0.05 0.00 -0.00 0.00 -0.09 0.02 0.03 -0.07 -0.02 -0.01 0.09 0.02 0.01 0.11 0.01 0.01 -0.01 -0.00 -0.02 -0.05 0.00 0.03 -0.09 -0.00 0.04 0.15 0.05 0.09 -0.02 0.04 -0.03 0.08 0.20 -0.03 0.00 -0.00 0.23 0.27 -0.03 0.19 0.00 0.19 0.02 -0.13 -0.19 -0.00 -0.01 -0.02 -0.01 -0.18 0.03 -0.01 -0.21 0.06 0.06 0.30 0.06 -0.06 0.16 0.04 0.03 0.02 0.02 0.02 0.02 0.02 0.03 0.02 0.00 0.01 -0.05 -0.01 0.04 -0.06 0.02 0.03 0.05 0.01 0.00 0.08 0.01 0.06 0.07 0.05 0.05 0.01 0.01 -0.02 -0.04 -0.04 0.03 0.01 0.03 0.06 -0.02 -0.06 -0.00 -0.16 -0.05 -0.07 0.01 0.01 0.02 -0.02 0.00 0.01 0.03 0.01 0.01 -0.00 -0.01 -0.03 -0.03 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.06 0.06 -0.05 -0.02 0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.07 0.02 0.20 0.01 -0.07 0.05 0.03 0.02 0.01 -0.01 0.00 -0.14 0.06 0.06 0.02 0.00 -0.00 -0.02 -0.00 -0.00 0.19 0.01 0.01 0.00 0.00 0.00 0.01 0.00 -0.01 0.02 -0.00 -0.01 -0.03 -0.01 -0.02 0.02 0.01 0.02 0.05 -0.09 0.02 -0.01 -0.00 -0.02 0.45 -0.11 0.35 -0.07 0.32 0.03 0.06 0.04 0.01 0.01 0.00 0.02 -0.27 0.08 0.07 -0.37 0.06 0.09 -0.06 -0.01 0.01 0.32 0.08 0.07 0.01 0.04 0.05 0.01 0.05 0.05 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.02 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.02 0.01 -0.17 0.02 0.01 0.02 0.04 -0.01 -0.04 -0.00 -0.02 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 -0.03 0.02 -0.02 -0.03 -0.04 -0.00 0.02 0.06 -0.01 0.01 0.03 -0.01 0.02 0.26 0.03 -0.00 -0.02 0.01 0.01 -0.01 0.01 -0.04 -0.19 -0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 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 0.08 0.06 0.03 0.06 0.04 0.06 -0.01 -0.00 0.02 -0.04 0.37 -0.17 0.36 0.06 -0.04 0.03 -0.13 0.05 -0.02 -0.05 -0.01 -0.19 -0.15 -0.48 0.12 0.27 0.10 -0.01 -0.00 0.00 -0.23 -0.10 -0.07 0.19 -0.01 -0.03 0.09 -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 0.03 -0.05 -0.04 -0.00 -0.01 0.02 0.04 0.09 -0.03 -0.10 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.03 0.02 0.01 0.02 -0.01 0.01 0.06 -0.09 0.05 0.10 0.08 0.03 -0.01 -0.02 -0.01 -0.14 -0.13 -0.04 -0.08 0.14 -0.08 0.01 0.03 0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.42 -0.13 0.26 0.50 0.05 0.21 -0.03 0.01 0.03 -0.01 -0.04 0.02 -0.02 0.01 0.00 -0.07 -0.37 0.06 0.08 0.37 -0.06 0.05 0.02 0.08 -0.01 -0.05 -0.03 -0.02 -0.00 0.01 0.02 0.01 0.01 -0.03 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.07 -0.12 0.02 0.04 0.00 0.03 0.08 0.20 -0.05 -0.17 -0.00 0.03 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 0.03 0.01 0.01 0.01 -0.00 0.01 -0.03 0.00 0.03 -0.02 -0.01 -0.01 0.01 -0.00 -0.03 -0.00 0.00 0.02 0.15 -0.20 0.14 0.03 -0.03 0.02 -0.05 0.11 -0.06 -0.04 0.14 -0.06 -0.00 -0.03 -0.01 -0.02 0.00 -0.01 0.04 -0.10 0.05 -0.00 0.01 0.02 0.04 -0.01 -0.05 -0.01 -0.00 0.01 -0.02 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 0.01 -0.02 -0.01 -0.02 -0.51 0.15 -0.31 -0.35 0.17 -0.22 -0.07 0.01 0.10 -0.01 -0.07 0.03 -0.07 -0.01 0.00 -0.02 -0.01 0.01 -0.13 -0.34 0.01 -0.03 0.01 0.01 0.01 0.01 0.02 -0.01 0.01 0.03 0.03 0.01 0.02 -0.02 -0.00 0.01 -0.04 0.00 -0.00 -0.03 -0.00 0.01 0.01 -0.00 -0.02 0.01 -0.00 -0.01 0.03 0.01 0.03 -0.03 0.00 -0.01 -0.03 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.04 0.05 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.25 -0.01 -0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.02 -0.02 -0.01 -0.02 0.00 0.01 0.01 -0.00 0.01 0.01 0.00 0.01 0.06 -0.12 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.11 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.19 -0.05 -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 0.05 0.01 0.02 0.03 0.00 0.00 0.01 -0.00 -0.01 0.12 -0.14 0.23 -0.15 0.40 -0.02 0.02 -0.05 0.03 -0.02 -0.02 -0.00 -0.26 0.03 -0.20 -0.08 0.31 0.29 -0.00 -0.00 -0.00 0.22 0.04 0.15 -0.10 -0.03 0.09 -0.38 -0.02 -0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -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 0.02 -0.01 -0.03 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.14 0.03 0.18 -0.15 -0.03 0.01 0.01 -0.00 -0.02 0.05 0.02 0.05 0.06 0.04 0.11 -0.14 -0.04 -0.05 0.14 -0.01 -0.13 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.00 0.03 0.04 -0.00 -0.05 0.00 0.00 0.00 0.01 -0.03 -0.10 0.06 -0.02 -0.13 0.16 0.02 -0.01 0.03 0.03 0.12 -0.04 0.01 -0.02 -0.02 0.01 -0.01 0.10 0.02 -0.13 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.05 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.39 -0.01 0.14 0.09 0.03 -0.18 0.13 -0.10 -0.15 -0.43 -0.15 -0.30 0.28 -0.03 -0.02 0.26 0.11 -0.05 0.00 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.03 -0.01 -0.03 -0.00 -0.03 0.01 0.00 0.06 0.02 0.03 0.00 -0.01 -0.04 -0.13 -0.03 -0.03 0.00 -0.03 -0.11 -0.13 -0.04 -0.08 0.13 0.02 -0.01 0.00 0.04 0.18 -0.07 -0.03 -0.08 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.03 -0.00 -0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.02 0.02 -0.02 0.01 0.08 0.09 0.01 -0.02 0.02 0.01 0.00 0.06 0.03 0.07 0.05 0.01 0.03 -0.05 -0.02 -0.05 0.07 0.03 0.06 -0.03 0.00 -0.02 -0.04 0.01 -0.03 0.11 0.01 -0.25 -0.03 -0.08 0.04 -0.11 0.05 -0.02 0.00 -0.02 0.00 0.00 0.01 -0.00 0.05 -0.02 -0.07 0.08 0.07 0.06 -0.59 -0.15 -0.12 0.02 -0.00 0.01 0.02 0.01 0.02 -0.02 -0.00 0.01 0.40 0.01 -0.17 -0.09 0.00 0.21 -0.09 0.09 0.18 -0.08 -0.03 -0.07 0.05 -0.01 0.02 0.05 0.04 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.12 -0.03 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.02 -0.02 -0.01 -0.01 0.02 0.00 -0.00 -0.00 0.01 0.03 -0.01 -0.01 -0.02 -0.00 -0.01 0.00 -0.03 -0.00 -0.02 0.00 0.02 -0.00 0.01 -0.01 0.00 0.11 0.01 0.17 0.00 0.00 0.00 0.01 -0.02 0.01 -0.17 0.10 -0.10 -0.00 0.00 0.01 0.02 0.00 -0.00 -0.08 -0.03 -0.00 0.01 0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.03 0.02 -0.02 0.12 -0.01 0.09 0.02 -0.00 -0.04 0.11 0.29 -0.15 0.43 -0.22 0.09 0.01 -0.01 0.01 -0.02 -0.06 0.00 -0.23 0.09 0.31 -0.32 -0.32 -0.25 -0.11 -0.03 -0.02 -0.06 0.03 -0.05 -0.11 -0.03 -0.08 0.12 0.03 -0.02 0.07 -0.00 -0.03 -0.02 0.00 0.03 -0.02 0.01 0.03 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.01 0.01 0.00 -0.01 0.01 -0.01 -0.02 -0.05 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.11 -0.01 0.06 0.01 0.05 -0.01 0.03 -0.10 0.04 -0.07 -0.05 -0.02 0.02 0.04 0.01 -0.05 0.04 -0.04 0.03 0.03 0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.21 -0.12 0.15 -0.44 -0.03 -0.20 -0.00 0.01 -0.00 -0.01 0.02 -0.02 0.01 -0.05 -0.00 -0.22 0.54 -0.25 0.29 0.36 0.04 -0.02 -0.01 -0.02 -0.05 0.02 0.01 0.00 0.00 -0.00 -0.02 -0.02 0.01 0.04 -0.00 0.01 -0.03 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.06 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.13 -0.03 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.03 -0.30 0.10 0.61 -0.15 -0.22 -0.55 -0.17 0.29 -0.01 0.03 -0.01 0.06 0.04 0.04 -0.06 -0.00 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.06 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.02 0.13 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 0.01 0.07 -0.02 -0.03 -0.06 -0.02 0.03 0.06 -0.30 0.07 -0.49 -0.33 -0.30 0.54 0.02 0.37 -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 -0.05 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.11 -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 -0.01 0.00 -0.01 0.05 -0.00 0.02 -0.00 -0.00 0.00 0.02 0.02 -0.01 0.01 -0.07 0.01 0.00 -0.01 0.00 -0.02 -0.02 -0.00 0.09 -0.01 0.03 -0.11 -0.04 -0.01 -0.00 -0.00 -0.00 -0.08 -0.24 0.16 0.64 0.02 0.26 -0.51 -0.31 -0.07 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 -0.02 -0.02 -0.00 0.03 0.01 0.01 0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.03 0.04 -0.02 -0.03 -0.04 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.30 -0.02 0.16 0.32 -0.01 0.16 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 0.04 -0.00 -0.18 0.53 -0.24 -0.37 -0.48 -0.05 0.02 -0.00 -0.01 0.02 0.01 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.02 0.03 0.06 -0.00 -0.06 -0.01 -0.00 0.01 0.03 0.01 0.01 0.00 0.00 0.01 -0.02 -0.02 -0.06 -0.01 0.01 0.06 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 -0.04 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.03 -0.03 -0.01 -0.03 -0.05 -0.03 -0.08 -0.07 0.01 0.08 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.04 0.01 -0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.14 0.04 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.44 -0.01 -0.20 -0.07 -0.01 0.28 -0.12 0.13 0.25 -0.42 -0.14 -0.25 0.35 -0.03 -0.08 0.33 0.12 -0.11 -0.03 -0.08 -0.03 -0.00 -0.00 -0.00 0.01 0.03 0.07 0.04 0.12 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 -0.02 -0.08 0.02 -0.01 -0.06 0.04 0.01 0.00 -0.10 -0.02 0.01 -0.01 -0.01 -0.03 0.05 0.02 0.03 -0.03 0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.09 0.00 -0.07 0.03 0.01 0.03 0.00 -0.00 -0.00 -0.04 -0.00 0.02 0.05 0.02 0.03 0.02 0.02 0.07 -0.05 0.01 0.09 0.04 -0.01 0.02 -0.03 -0.00 -0.01 -0.22 -0.02 0.31 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.02 0.03 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.19 -0.05 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.31 0.01 0.15 0.06 -0.01 -0.24 0.11 -0.10 -0.22 -0.42 -0.14 -0.25 0.31 -0.04 -0.07 0.28 0.11 -0.10 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.02 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 -0.04 -0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.08 -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 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.09 0.24 -0.07 -0.04 -0.24 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.08 -0.01 0.01 -0.13 0.04 0.02 0.00 0.00 -0.00 0.61 0.15 0.20 -0.31 0.04 0.20 -0.46 0.14 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 -0.05 -0.13 -0.08 -0.01 -0.01 -0.00 0.03 0.07 0.14 0.06 0.18 0.01 0.00 0.00 0.00 -0.03 -0.01 -0.02 0.02 0.03 0.12 -0.05 0.00 0.06 0.04 0.01 0.01 -0.01 0.01 0.05 0.01 0.01 0.02 -0.06 -0.02 -0.05 0.03 -0.00 -0.03 -0.00 0.00 0.00 0.02 0.01 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 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.00 -0.03 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.02 -0.01 -0.05 0.02 -0.00 -0.03 -0.02 -0.03 -0.11 0.05 -0.00 -0.06 0.03 -0.01 0.02 -0.01 -0.00 -0.01 -0.13 0.00 0.20 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.02 0.06 -0.03 -0.01 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 0.06 0.02 0.00 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 0.45 -0.02 -0.22 -0.10 0.01 0.36 -0.16 0.15 0.33 0.27 0.09 0.15 -0.25 0.02 0.05 -0.24 -0.08 0.07 0.01 0.08 0.07 0.06 0.04 0.01 -0.02 -0.05 -0.12 -0.02 -0.08 -0.01 -0.00 0.00 -0.00 -0.05 -0.02 -0.02 0.01 0.02 0.07 -0.05 -0.00 0.02 0.05 0.02 0.04 -0.14 -0.01 0.08 -0.03 -0.01 -0.01 -0.02 -0.01 -0.03 0.01 -0.00 -0.02 -0.04 -0.03 -0.02 -0.09 -0.06 -0.03 0.02 0.03 0.00 -0.02 0.01 -0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.03 -0.00 0.02 -0.00 -0.00 0.01 0.20 0.00 -0.18 0.05 0.01 0.01 0.00 0.00 0.00 -0.04 -0.02 -0.04 0.12 0.02 -0.00 -0.01 -0.02 -0.06 0.02 0.01 0.00 0.19 0.02 0.08 -0.07 0.01 -0.04 -0.39 -0.03 0.56 0.06 0.07 -0.01 -0.01 0.03 0.01 0.02 -0.06 0.03 0.14 0.13 0.03 0.03 -0.01 -0.02 0.01 0.01 0.01 -0.24 -0.04 0.08 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.02 0.00 -0.00 0.21 -0.01 -0.11 -0.05 0.01 0.20 -0.08 0.08 0.18 -0.02 -0.01 -0.03 -0.09 -0.03 0.00 -0.09 -0.01 0.00 0.01 0.02 0.03 -0.14 -0.09 -0.03 -0.01 -0.02 -0.05 -0.01 -0.02 -0.00 0.01 -0.01 0.02 -0.02 -0.00 -0.01 0.00 0.00 0.02 -0.01 -0.00 0.00 0.01 0.01 0.01 -0.04 -0.00 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.09 0.08 0.02 0.21 0.14 0.06 -0.05 -0.08 -0.00 0.06 -0.02 0.03 0.02 0.06 -0.01 0.00 -0.01 0.00 -0.07 0.01 -0.04 0.00 0.01 -0.03 0.06 0.00 -0.05 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.02 0.04 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.56 -0.05 -0.28 0.10 -0.02 0.06 -0.15 0.00 0.18 -0.22 -0.26 0.02 0.10 0.07 -0.01 -0.02 0.02 -0.01 -0.28 -0.26 -0.07 -0.20 0.05 0.10 0.14 -0.08 -0.09 -0.06 -0.01 0.02 0.04 -0.00 0.02 -0.02 0.00 0.03 -0.07 -0.00 0.00 0.03 -0.00 -0.02 -0.02 0.00 0.04 -0.02 0.02 0.04 -0.02 -0.01 -0.02 -0.02 -0.01 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.03 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -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 -0.02 -0.01 -0.01 -0.02 -0.04 0.00 0.01 0.02 -0.00 -0.02 0.01 -0.01 -0.00 0.01 -0.03 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.01 -0.05 -0.01 -0.00 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 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.14 0.01 0.07 -0.09 0.02 -0.03 0.02 -0.00 -0.02 -0.19 -0.22 -0.00 0.25 0.40 0.01 0.00 0.01 0.00 0.05 0.05 0.01 -0.43 0.10 0.22 0.52 -0.23 -0.23 0.01 0.00 -0.00 0.09 -0.00 0.04 -0.01 0.01 0.07 -0.11 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.06 0.00 0.04 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.02 0.03 -0.14 0.10 -0.10 0.04 -0.03 0.03 -0.00 -0.04 0.01 -0.02 -0.01 -0.01 -0.02 0.00 -0.01 -0.00 -0.07 0.02 -0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.51 0.02 -0.27 0.51 -0.08 0.29 -0.01 -0.00 0.01 -0.10 -0.12 0.01 0.17 0.22 0.01 -0.05 0.09 -0.05 0.23 0.23 0.05 0.14 -0.04 -0.08 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.05 0.01 0.01 -0.03 0.00 0.02 -0.03 0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 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 0.03 0.01 0.02 -0.02 -0.01 -0.03 -0.06 -0.01 0.01 0.03 0.00 -0.02 -0.14 -0.03 -0.01 0.40 0.06 -0.06 -0.14 -0.06 -0.16 -0.20 0.03 0.25 -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 0.05 -0.00 -0.05 -0.21 0.03 0.30 0.00 -0.00 0.00 0.39 0.05 -0.07 -0.13 -0.08 -0.25 0.02 0.02 0.05 0.04 0.00 -0.02 0.01 -0.00 0.00 -0.03 0.00 -0.02 -0.19 -0.01 0.23 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.02 -0.02 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.05 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.26 0.01 0.13 0.00 0.02 -0.12 0.04 -0.07 -0.09 0.12 0.04 0.05 -0.11 -0.01 0.01 -0.11 -0.02 0.01 -0.00 -0.00 -0.00 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -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 0.02 0.02 0.01 -0.02 0.01 -0.02 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.04 0.01 -0.03 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.02 0.05 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.14 0.00 -0.08 0.13 -0.02 0.04 -0.01 0.00 0.01 0.38 0.45 0.00 -0.36 -0.28 -0.05 -0.02 0.04 -0.02 0.02 0.03 0.01 -0.36 0.09 0.20 0.43 -0.04 -0.05 0.00 0.00 -0.00 -0.06 -0.02 -0.00 0.06 -0.01 -0.02 0.06 -0.04 -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 -0.02 0.00 0.02 0.01 0.01 -0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -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 0.01 -0.00 0.00 0.00 0.19 0.29 0.01 0.02 -0.25 0.08 -0.21 0.02 -0.11 -0.26 0.02 -0.13 -0.02 -0.03 0.00 0.07 -0.25 0.10 0.15 0.17 0.03 -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 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.12 0.01 -0.06 0.42 -0.03 0.21 -0.06 0.01 0.05 0.08 0.04 0.05 0.20 0.10 0.01 -0.13 0.37 -0.16 0.01 -0.02 0.00 0.16 -0.02 -0.05 -0.13 0.01 0.02 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.05 0.02 0.03 0.02 0.02 0.05 -0.07 -0.01 0.01 -0.01 -0.01 -0.02 -0.00 -0.01 -0.04 -0.04 -0.03 -0.09 0.13 0.05 0.09 -0.11 0.01 0.10 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.08 -0.01 0.04 -0.13 -0.02 0.02 -0.00 0.00 -0.00 -0.04 -0.07 -0.23 0.27 0.04 -0.02 0.03 -0.00 -0.02 0.04 0.02 0.04 0.02 0.00 0.01 -0.01 0.00 -0.01 0.04 -0.01 -0.08 -0.01 -0.01 -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 -0.01 -0.00 0.00 0.58 0.13 0.00 0.00 -0.00 0.00 -0.02 0.00 -0.01 0.00 -0.01 -0.00 -0.23 -0.02 0.06 -0.20 0.09 0.15 -0.19 -0.05 0.20 -0.21 -0.08 -0.18 -0.18 -0.14 -0.05 -0.21 0.04 -0.09 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 0.05 0.04 -0.01 -0.05 0.05 0.00 -0.04 0.02 0.01 0.05 0.15 0.02 -0.03 0.02 0.04 0.13 -0.00 -0.02 -0.10 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.13 -0.05 -0.12 0.00 -0.00 0.00 0.03 -0.03 -0.14 -0.17 0.02 0.21 0.04 0.00 -0.02 -0.05 -0.01 -0.01 0.02 -0.00 0.01 -0.01 0.00 -0.01 -0.37 0.01 0.44 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.18 0.05 0.06 0.00 0.02 -0.01 0.01 -0.00 -0.01 -0.02 0.00 0.01 -0.18 -0.02 0.05 -0.15 0.07 0.10 -0.13 -0.05 0.13 0.20 0.09 0.21 0.31 0.12 0.02 0.33 0.01 0.04 -0.00 0.00 -0.00 -0.01 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.02 0.00 0.01 0.00 -0.01 0.00 0.03 -0.00 0.01 -0.05 -0.06 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.10 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.02 -0.01 -0.16 0.02 -0.08 0.01 0.00 -0.01 0.38 0.32 0.07 0.30 0.29 0.02 0.01 -0.03 0.01 -0.06 -0.05 -0.01 0.57 -0.10 -0.08 0.34 -0.06 -0.10 0.02 0.00 0.00 0.13 0.05 0.05 0.09 -0.01 0.07 0.08 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 0.04 0.02 0.04 -0.02 -0.01 -0.02 -0.04 -0.01 0.01 -0.02 0.00 0.03 -0.08 -0.01 0.04 0.07 0.01 -0.02 -0.02 -0.01 -0.02 0.02 -0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.07 -0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 0.04 0.14 0.08 0.03 0.05 -0.04 0.00 0.03 0.02 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.10 0.00 -0.09 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.03 0.01 0.01 -0.02 0.01 0.01 0.74 0.18 0.10 -0.01 -0.02 0.01 -0.02 0.01 0.01 0.01 -0.01 -0.01 0.29 0.03 -0.07 0.22 -0.11 -0.19 0.20 0.05 -0.23 -0.04 -0.02 -0.04 -0.05 0.01 0.03 -0.05 -0.01 0.03 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.03 -0.00 -0.01 0.11 0.06 0.01 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.12 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.09 0.01 0.04 0.16 -0.02 0.07 -0.00 -0.00 0.00 -0.22 -0.33 0.04 -0.36 -0.42 -0.04 0.01 -0.00 0.01 0.04 0.03 0.01 0.31 -0.10 -0.08 0.46 -0.03 -0.11 0.01 0.00 0.00 0.18 0.06 0.09 0.15 -0.03 0.11 0.16 0.11 -0.02 0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 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 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.05 -0.01 -0.07 0.04 0.01 -0.01 0.01 0.00 0.01 0.02 0.00 0.00 0.01 0.00 0.01 0.06 0.03 0.02 -0.06 0.02 -0.03 -0.04 -0.04 -0.01 0.00 -0.05 0.01 0.01 -0.00 0.00 -0.04 0.06 -0.04 0.06 0.04 0.02 -0.01 -0.01 -0.00 -0.06 0.00 0.09 -0.02 -0.00 0.00 0.01 0.00 -0.00 -0.04 -0.00 0.01 -0.00 -0.01 -0.03 -0.04 -0.01 0.01 0.03 0.00 -0.00 0.11 -0.06 0.07 -0.06 -0.05 -0.02 -0.37 0.02 0.41 -0.05 0.02 -0.08 -0.08 0.05 0.02 0.07 -0.30 0.12 -0.16 -0.26 -0.01 0.01 -0.01 0.05 0.02 0.05 0.01 -0.01 -0.00 -0.02 -0.02 -0.05 0.02 -0.06 0.02 0.01 -0.00 -0.03 -0.01 0.13 0.05 -0.05 0.30 -0.15 -0.06 0.25 0.19 -0.11 -0.16 -0.07 -0.17 -0.16 0.04 0.09 -0.14 -0.05 0.11 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.00 -0.03 0.02 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.04 -0.01 -0.02 0.03 -0.02 0.02 0.03 0.02 0.01 0.01 0.03 -0.00 -0.02 0.00 0.00 0.02 -0.03 0.02 -0.04 -0.02 -0.01 0.05 0.01 0.01 -0.03 0.00 0.03 -0.01 -0.00 -0.00 -0.08 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.01 0.00 -0.00 -0.08 0.04 -0.05 -0.00 0.03 -0.01 -0.14 0.01 0.16 0.02 0.01 0.04 0.07 -0.00 -0.01 -0.05 0.17 -0.07 0.08 0.14 0.00 -0.15 0.04 -0.23 -0.16 -0.23 -0.06 -0.01 -0.00 -0.01 0.42 0.16 0.27 0.37 -0.09 -0.04 0.43 -0.06 -0.13 0.06 0.00 -0.01 0.10 -0.05 -0.01 0.09 0.06 -0.05 -0.08 -0.03 -0.08 -0.07 0.04 0.05 -0.05 -0.03 0.07 0.01 0.01 0.00 -0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.03 -0.00 -0.04 0.02 0.00 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -0.07 -0.04 -0.03 0.06 -0.02 0.03 0.04 0.05 0.01 -0.00 0.05 -0.01 -0.01 0.01 -0.01 0.04 -0.06 0.04 -0.07 -0.05 -0.02 -0.04 -0.00 -0.01 -0.03 0.00 0.04 -0.01 0.00 0.01 0.05 0.00 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.01 -0.03 -0.01 -0.00 0.01 0.00 -0.01 -0.09 0.07 -0.07 0.06 0.05 0.02 -0.17 0.01 0.19 0.08 -0.06 0.17 0.13 -0.12 -0.04 -0.07 0.30 -0.12 0.17 0.28 0.01 0.14 -0.03 0.19 0.12 0.18 0.04 -0.01 -0.00 -0.01 -0.25 -0.13 -0.14 -0.25 0.06 0.02 -0.24 0.01 0.07 -0.02 0.04 -0.01 0.28 -0.13 0.05 0.22 0.23 -0.00 -0.07 -0.03 -0.08 -0.06 0.07 0.08 -0.03 -0.04 0.10 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 0.00 0.00 -0.02 -0.00 -0.00 -0.02 0.00 0.02 -0.04 -0.01 -0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.02 0.03 0.02 0.05 -0.01 -0.00 0.00 -0.01 -0.01 -0.03 0.02 0.01 0.01 -0.02 -0.01 -0.04 -0.04 0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.00 0.12 -0.01 -0.14 -0.02 0.01 -0.04 -0.03 0.03 0.01 0.01 -0.05 0.02 -0.03 -0.05 -0.00 -0.02 0.00 0.01 -0.02 0.01 0.00 0.08 0.01 -0.01 0.07 0.05 0.03 0.08 -0.02 -0.01 0.06 0.01 -0.01 -0.32 -0.08 0.07 0.38 -0.16 0.38 0.31 0.41 0.13 0.21 -0.05 0.22 0.29 0.08 -0.03 0.14 -0.02 0.07 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 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 0.00 -0.05 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.00 -0.03 -0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.06 -0.02 0.02 0.05 -0.02 0.07 0.04 0.06 0.03 -0.11 0.68 -0.14 -0.41 0.08 0.23 0.47 0.07 -0.17 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 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 0.02 0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.01 -0.00 -0.02 0.02 0.00 -0.01 -0.01 -0.01 -0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.00 -0.04 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.07 0.02 0.00 -0.02 -0.01 -0.02 -0.01 0.00 0.01 -0.02 0.02 0.01 -0.05 -0.05 0.02 -0.16 0.08 0.04 -0.13 -0.11 0.03 -0.13 -0.12 -0.14 0.06 0.50 0.40 0.13 -0.24 0.61 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.01 -0.05 0.02 -0.01 -0.00 -0.00 -0.02 0.00 -0.01 -0.01 0.00 -0.01 0.03 -0.01 -0.03 -0.02 0.02 -0.06 -0.04 0.04 0.02 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.00 0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.08 0.66 -0.20 0.06 -0.07 -0.48 -0.08 0.19 0.44 0.03 0.02 0.03 0.04 0.04 0.02 0.06 -0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.04 0.02 0.02 0.06 -0.01 -0.05 -0.01 -0.02 -0.05 -0.02 -0.02 -0.08 0.04 -0.03 0.01 0.05 -0.01 0.03 -0.01 0.02 0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.21 -0.03 0.12 0.14 -0.03 0.08 0.01 -0.00 -0.02 0.22 -0.20 0.56 0.48 -0.40 -0.17 0.08 -0.15 0.08 0.03 -0.02 0.02 -0.07 0.03 0.03 -0.02 0.01 0.01 0.00 0.00 0.00 0.04 0.02 0.03 0.02 -0.01 -0.07 0.03 -0.07 -0.02 -0.01 0.07 -0.02 -0.00 -0.00 -0.05 -0.02 0.01 0.05 0.02 0.01 0.02 0.02 0.01 0.00 0.03 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.02 -0.05 -0.01 0.01 0.03 -0.00 -0.04 -0.02 -0.01 -0.03 -0.02 -0.00 -0.01 0.01 -0.01 -0.03 0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.05 0.00 0.06 0.04 0.02 0.07 0.01 0.00 -0.01 -0.05 -0.01 -0.01 0.06 0.00 -0.04 -0.01 0.01 0.03 -0.06 -0.02 -0.01 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.16 -0.00 0.16 0.01 -0.00 0.01 0.01 -0.02 -0.00 -0.01 0.02 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.05 -0.00 -0.04 -0.02 0.15 0.03 -0.02 -0.04 -0.10 0.04 -0.08 0.03 0.07 0.03 0.01 -0.01 0.35 -0.03 -0.06 -0.10 0.04 -0.21 -0.06 -0.21 -0.23 0.36 0.17 0.37 0.35 0.07 -0.07 0.38 0.04 -0.07 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.04 -0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.01 0.03 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.02 0.00 -0.01 -0.02 0.00 -0.01 0.01 -0.00 -0.01 -0.04 -0.01 -0.04 0.01 0.06 0.02 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.08 -0.04 0.52 0.06 0.50 0.16 -0.01 -0.00 -0.00 0.26 0.22 0.08 0.13 -0.08 -0.40 0.02 -0.32 -0.09 0.08 -0.01 -0.01 -0.03 0.01 -0.06 -0.02 -0.06 -0.06 0.03 0.01 0.03 0.03 0.03 0.01 0.04 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 -0.01 0.00 0.01 0.01 0.00 0.01 0.00 -0.04 0.04 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.00 0.02 0.00 0.00 0.01 -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.15 0.01 -0.15 -0.05 0.01 0.00 -0.00 -0.02 0.53 -0.46 0.34 -0.12 -0.29 -0.39 0.18 0.17 0.10 -0.01 -0.02 0.04 -0.02 -0.04 0.04 -0.01 -0.08 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 -0.01 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 -0.03 0.01 0.05 -0.00 -0.00 -0.01 -0.03 0.00 0.05 0.07 0.02 0.03 -0.02 -0.01 -0.01 0.01 0.01 0.05 -0.06 -0.00 0.04 0.00 -0.01 0.01 0.01 0.02 0.00 -0.02 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 0.00 -0.00 0.01 0.01 0.06 0.00 -0.05 -0.05 -0.02 -0.04 0.01 0.01 -0.00 0.08 -0.02 -0.12 0.04 0.01 0.02 -0.06 0.01 0.04 -0.02 -0.01 -0.01 0.06 -0.00 0.03 0.06 -0.01 0.03 0.20 -0.00 -0.22 -0.00 0.04 -0.05 -0.04 0.05 0.02 0.02 -0.02 0.01 0.02 0.02 0.01 0.00 0.00 -0.10 0.00 -0.09 -0.03 -0.38 -0.09 -0.01 -0.01 -0.09 0.06 -0.09 0.03 0.02 0.02 -0.05 -0.02 0.44 -0.00 -0.08 0.28 -0.14 -0.24 0.26 0.03 -0.35 0.00 0.00 0.01 0.08 0.15 0.10 0.12 -0.06 0.15 -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 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.04 -0.01 -0.04 -0.04 -0.01 0.04 -0.01 0.02 0.04 -0.00 0.02 -0.01 0.01 -0.00 -0.02 -0.01 -0.01 0.01 0.03 -0.00 0.02 -0.02 -0.03 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.03 -0.03 -0.03 0.01 -0.00 -0.02 0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.14 0.00 -0.07 -0.16 0.01 -0.08 0.03 -0.00 -0.03 0.01 -0.11 0.14 0.13 -0.12 -0.04 -0.04 0.01 -0.02 -0.08 -0.08 -0.02 -0.07 0.00 0.30 -0.05 0.27 0.10 -0.05 -0.01 -0.00 -0.08 0.04 -0.11 0.29 -0.02 0.46 0.18 0.54 0.10 0.07 0.01 -0.02 0.02 -0.01 -0.05 0.02 -0.01 -0.05 -0.01 -0.00 -0.01 0.00 0.02 0.01 0.01 -0.01 0.02 0.00 0.00 0.00 -0.02 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -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 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.08 0.02 0.08 0.10 0.01 -0.09 0.02 -0.05 -0.08 0.01 -0.04 -0.01 -0.04 0.01 0.05 0.03 0.02 -0.01 -0.06 0.01 0.02 -0.01 -0.02 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.02 -0.02 -0.02 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.31 -0.01 0.16 0.33 -0.02 0.16 -0.05 0.00 0.05 -0.02 0.22 -0.28 -0.11 0.34 0.09 0.09 -0.04 0.05 0.17 0.16 0.04 -0.03 0.00 0.20 -0.08 0.19 0.08 0.03 0.01 -0.00 -0.04 0.03 -0.06 0.20 -0.02 0.29 0.13 0.34 0.06 0.01 0.01 -0.00 -0.02 0.01 -0.01 -0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -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 -0.03 0.01 -0.02 -0.10 -0.08 -0.01 0.03 0.00 -0.00 -0.01 0.15 0.05 0.07 -0.01 0.01 0.03 0.01 0.01 0.02 -0.04 0.00 0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.04 0.01 0.02 -0.20 -0.08 -0.17 -0.00 -0.01 0.00 0.04 0.06 0.20 0.18 -0.00 -0.14 0.02 -0.00 -0.02 -0.04 -0.01 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.15 0.04 0.19 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.38 -0.08 0.03 -0.01 0.08 -0.08 0.07 -0.02 -0.01 -0.04 0.06 0.03 -0.37 -0.02 0.08 -0.08 0.05 0.19 -0.08 0.05 0.21 0.25 0.11 0.26 0.25 0.10 -0.01 0.28 -0.00 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.07 -0.03 -0.08 -0.04 -0.00 0.01 0.01 -0.01 -0.06 0.03 -0.01 -0.08 0.09 0.01 -0.05 -0.21 -0.07 -0.14 -0.20 -0.09 -0.24 -0.12 -0.06 -0.17 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.05 0.23 0.01 0.05 0.19 0.00 0.00 -0.00 0.37 0.08 0.06 0.23 0.14 0.43 0.04 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.00 -0.21 0.02 0.19 0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.00 0.00 0.02 0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.08 -0.02 -0.05 0.01 -0.02 0.03 -0.02 0.00 -0.01 0.01 -0.04 -0.01 -0.19 -0.01 0.05 -0.09 0.06 0.09 -0.08 -0.02 0.13 -0.15 -0.06 -0.10 -0.00 0.07 0.07 0.01 -0.03 0.10 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.02 0.01 0.02 -0.03 -0.00 0.01 -0.02 0.00 0.03 0.11 0.02 -0.02 0.14 0.00 -0.09 0.10 -0.00 -0.09 0.11 -0.01 -0.12 -0.01 -0.06 0.02 -0.04 0.09 -0.05 -0.04 0.05 -0.03 0.05 -0.05 0.04 -0.01 -0.00 -0.00 0.03 -0.12 0.05 0.01 0.08 -0.02 0.00 -0.00 0.00 0.02 0.00 -0.02 -0.24 0.02 0.27 -0.00 0.00 0.00 -0.23 -0.03 0.03 0.02 0.02 0.08 0.01 -0.00 -0.01 0.02 0.01 0.01 0.06 0.05 0.02 -0.11 -0.04 -0.04 0.16 -0.02 -0.19 0.01 0.01 0.01 0.02 0.00 -0.00 -0.05 0.14 -0.06 -0.10 -0.04 -0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.68 -0.17 -0.09 0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 0.04 -0.00 -0.03 -0.07 0.03 0.01 -0.06 -0.04 0.03 -0.02 -0.01 -0.03 -0.06 -0.05 -0.02 -0.07 0.02 -0.03 -0.00 -0.00 -0.00 -0.02 0.02 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.02 0.04 0.01 -0.01 0.07 0.00 -0.04 0.05 0.00 -0.04 0.05 -0.00 -0.05 0.02 0.17 -0.04 0.11 -0.25 0.12 0.11 -0.14 0.09 -0.13 0.13 -0.10 0.02 0.00 0.01 -0.10 0.31 -0.13 -0.02 -0.23 0.05 -0.01 0.00 -0.00 0.01 0.00 -0.01 -0.11 0.01 0.12 0.00 -0.00 0.00 -0.11 -0.02 0.01 0.00 0.01 0.03 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.16 -0.13 -0.05 0.30 0.12 0.11 0.09 -0.01 -0.11 -0.02 -0.01 -0.02 -0.04 -0.01 0.01 0.13 -0.37 0.16 0.26 0.11 0.10 0.03 -0.01 0.00 0.01 0.00 -0.01 -0.29 -0.07 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.02 -0.00 -0.01 -0.03 0.01 0.00 -0.03 -0.02 0.01 -0.01 -0.00 -0.01 -0.03 -0.02 -0.01 -0.03 0.01 -0.02 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.21 -0.17 -0.06 0.15 0.10 0.04 0.28 0.03 0.13 -0.27 -0.07 -0.11 -0.02 -0.02 -0.00 -0.14 -0.06 -0.06 0.24 0.22 0.06 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.36 0.08 -0.21 0.27 -0.13 0.17 -0.02 -0.00 0.02 0.04 0.09 -0.06 0.01 0.11 0.03 -0.15 -0.10 -0.05 -0.21 -0.39 -0.00 0.03 -0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.23 -0.10 -0.21 0.00 0.00 0.01 0.01 0.00 0.00 -0.07 -0.03 -0.03 -0.09 -0.03 -0.03 0.07 0.01 0.01 0.05 0.02 0.05 0.03 0.01 0.01 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.40 0.19 0.38 -0.04 -0.01 -0.02 -0.00 0.00 -0.00 -0.07 -0.02 -0.04 -0.06 -0.02 -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 0.20 0.00 -0.35 0.00 0.01 -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 0.57 0.13 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.03 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.02 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.07 -0.36 0.01 -0.05 0.14 -0.33 0.00 0.00 0.00 0.14 -0.14 -0.16 0.12 0.62 -0.09 0.11 -0.15 0.48 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.03 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 -0.04 -0.04 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.11 0.63 -0.01 0.08 -0.21 0.51 0.00 0.00 -0.00 0.08 -0.08 -0.09 0.08 0.39 -0.05 0.07 -0.09 0.28 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -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 0.07 -0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.14 0.13 0.13 -0.02 0.06 -0.30 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.11 -0.58 -0.01 0.11 -0.24 0.63 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.02 -0.09 0.01 0.04 -0.04 0.15 -0.00 -0.01 -0.02 0.01 0.03 -0.00 0.03 -0.03 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 0.03 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 -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 0.02 -0.00 -0.00 -0.00 -0.00 0.33 -0.31 -0.29 0.05 -0.10 0.51 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.14 -0.00 0.02 -0.03 0.10 -0.00 0.00 0.00 0.03 -0.02 -0.04 -0.08 -0.39 0.04 0.10 -0.13 0.46 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 -0.03 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.05 -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 -0.02 0.00 0.00 0.00 0.00 -0.26 0.24 0.23 -0.03 0.07 -0.37 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.06 0.27 0.00 -0.04 0.09 -0.22 0.00 0.00 0.00 0.03 -0.02 -0.05 -0.08 -0.45 0.05 0.12 -0.15 0.53 0.00 0.01 0.02 -0.01 -0.02 0.00 -0.02 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -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 0.01 0.03 0.00 -0.01 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 -0.10 -0.14 -0.40 0.24 0.58 -0.01 0.38 -0.40 0.28 0.04 -0.00 -0.05 0.02 -0.06 0.06 -0.01 0.08 0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.03 -0.01 -0.03 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 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.06 -0.03 -0.08 0.00 -0.05 0.06 -0.04 0.31 -0.02 -0.33 0.13 -0.41 0.45 -0.05 0.58 0.22 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 -0.09 -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 0.02 -0.00 0.00 0.00 0.00 -0.44 0.40 0.36 0.08 -0.14 0.69 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.03 0.07 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 -0.05 -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 -0.00 0.00 -0.00 -0.52 0.52 0.61 0.03 0.15 -0.04 0.05 -0.08 0.21 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 0.02 -0.09 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 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.01 -0.14 0.45 -0.52 -0.06 0.65 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 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.09 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.03 0.28 0.65 -0.00 -0.43 0.44 -0.32 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 -0.01 -0.08 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.61 0.04 0.65 0.07 -0.22 0.22 -0.02 0.29 0.10 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.03 -0.08 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 0.21 0.28 0.83 0.10 0.27 -0.02 0.19 -0.22 0.14 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.03 0.01 0.01 -0.05 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 0.02 0.09 -0.02 0.02 0.15 -0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.35 -0.17 -0.13 0.60 -0.50 0.43 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.03 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.06 -0.03 -0.02 -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.08 -0.41 0.07 0.02 0.12 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.68 0.34 0.26 0.26 -0.22 0.19 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.08 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.03 -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 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.15 0.86 -0.15 0.03 0.17 -0.03 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.35 0.17 0.13 0.04 -0.04 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.08 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.12 0.02 0.16 0.93 -0.17 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.03 -0.09 -0.05 -0.03 -0.14 0.11 -0.10 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.05 -0.03 -0.04 -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 0.01 -0.00 -0.00 -0.01 0.00 0.68 0.42 0.59 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 0.01 0.01 0.02 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 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.12 0.21 0.97 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 8 8 8 8 8 8 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 16 8 8 8 8 8 8 8 7 7 7 7 7 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 31.97207 15.99491 15.99491 15.99491 15.99491 15.99491 15.99491 15.99491 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 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 413.10052 0.99998 -2.1E-4 0.00574 1.6E-4 0.99996 0.00853 -0.00574 -0.00853 0.99995 asymmetric 1 0.01505 0.00510 0.00480 0.31357 0.10635 0.10007 939942.8 29.48 38.31 57.97 72.74 75.87 106.40 111.93 140.65 154.22 167.04 173.18 182.53 195.32 215.73 235.09 250.60 268.52 277.26 293.25 310.66 330.94 344.24 351.77 372.90 386.32 427.01 445.21 451.38 454.70 464.15 467.72 521.38 563.72 626.54 690.16 707.50 728.51 739.67 774.17 793.12 803.73 841.79 870.72 892.23 897.92 924.88 1011.67 1040.83 1053.24 1059.56 1086.39 1089.65 1094.38 1099.20 1171.49 1189.88 1231.78 1249.06 1250.74 1338.74 1349.41 1400.53 1432.99 1451.26 1455.17 1490.30 1494.41 1495.58 1513.38 1538.12 1570.60 1588.18 1613.42 1630.92 1632.55 1666.11 1682.92 1684.72 1695.13 1708.31 1741.50 1753.71 1756.93 1764.61 1791.80 1817.74 1823.43 1869.21 1875.42 1900.03 1918.46 1939.52 1976.87 2022.72 2030.11 2080.62 2110.06 2116.12 2117.00 2121.85 2122.60 2123.36 2128.87 2129.30 2140.13 2145.23 2147.48 2155.81 2162.12 2163.75 2212.11 2267.92 2311.54 2312.36 2335.90 2424.34 4306.93 4315.58 4364.59 4383.81 4388.17 4402.24 4402.50 4461.97 4505.13 4524.89 4525.70 4557.47 4563.03 4582.00 4606.36 4627.32 4637.33 4695.22 5147.71 0.358005 0.385059 0.386004 0.299754 -1781.660572 -1781.633518 -1781.632574 -1781.718824 241.628 100.241 181.528 0.000 0.000 0.000 0.889 2.981 43.946 0.889 2.981 35.820 239.851 94.279 101.761 1 0.593 1.986 6.586 2 0.593 1.984 6.066 3 0.594 1.981 5.245 4 0.595 1.977 4.795 5 0.596 1.977 4.712 6 0.599 1.966 4.045 7 0.599 1.964 3.946 8 0.603 1.951 3.499 9 0.606 1.943 3.319 10 0.608 1.936 3.164 11 0.609 1.932 3.095 12 0.611 1.926 2.993 13 0.614 1.918 2.863 14 0.618 1.903 2.673 15 0.623 1.887 2.510 16 0.627 1.874 2.390 17 0.632 1.858 2.261 18 0.635 1.850 2.202 19 0.639 1.834 2.098 20 0.645 1.817 1.993 21 0.652 1.795 1.879 22 0.657 1.780 1.808 23 0.660 1.772 1.770 24 0.668 1.747 1.667 25 0.673 1.731 1.606 26 0.690 1.680 1.435 27 0.699 1.656 1.365 28 0.702 1.647 1.343 29 0.703 1.643 1.331 30 0.708 1.630 1.297 31 0.709 1.625 1.284 32 0.736 1.550 1.112 33 0.759 1.488 0.993 34 0.796 1.393 0.841 35 0.836 1.295 0.711 36 0.847 1.268 0.679 37 0.862 1.236 0.642 38 0.869 1.219 0.624 39 0.893 1.166 0.569 40 0.907 1.137 0.542 41 0.914 1.121 0.527 42 0.942 1.064 0.476 43 0.964 1.021 0.441 44 0.980 0.989 0.416 0.621913e+27 26.793730 61.694843 0.125429e+12 11.098399 25.555007 0.100000e+01 0.000000 0.000000 0.330018e+09 8.518537 19.614657 0.150243e+08 7.176794 16.525178 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.4603 10.6716 -0.0775 11.2188 -138.4047 -162.5127 -181.1706 -18.9530 13.2143 0.9924 22.2913 -1.8167 -20.4746 -18.9530 13.2143 0.9924 62.3921 123.9961 31.1724 22.8986 71.0587 -85.7303 19.0037 24.6305 3.5908 0.3374 -8256.9784 -2463.3306 -1770.2197 -37.1656 92.3746 -176.7283 23.8736 80.4998 12.4674 -2120.3197 -2218.9951 -758.4083 -96.5760 50.3799 -43.2926 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1782.0185777 4.353E-9 8.925E-6 0.3580053 0.3850594 -1781.6335183 -1781.6325741 -1781.7188237 14.4412741,-7.12891,-7.3123641,-18.0734149,-3.2330302,7.4971086 C01 [X(C15H19N5O7S1)] 1.5937533 2.8863246 2.9344338 3.6754445 -0.1379242 -0.4522639 0.0157733 3.6949915 0.0325998 -0.2039719 -0.0042814 3.2216538 -1.946757 -0.4510609 -1.0971977 -0.2755957 -0.7375588 -0.372269 -0.9618701 -0.4269917 -1.1683176 -1.03322 0.2695642 -0.113019 0.1532197 -1.2485954 0.2996279 -0.0646688 0.5667691 -1.5583258 -1.0770024 -0.1820693 -0.0683922 -0.1534426 -1.5276049 -0.3959996 -0.2077851 -0.5865315 -1.213494 -1.5497207 0.0040103 0.1160537 0.0122953 -0.6369794 0.0331994 0.2484918 0.0221896 -0.8967267 -1.7467746 0.2679512 -0.7292915 0.1538022 -0.7195485 0.3753589 -0.5467639 0.3172131 -1.435842 -0.8581381 -0.1969906 0.270169 -0.2625844 -1.0153931 0.8701171 0.4066401 0.8869536 -1.8763815 -2.5981622 -0.3922165 0.201986 -0.5629524 -0.6237098 0.1884475 0.4422941 0.2101067 -0.6950644 -2.1555208 -0.1155169 0.3956129 -0.5275579 -1.1747455 0.62468 0.4846836 0.4925894 -1.4948116 -3.128475 0.0573879 -0.6632349 -0.2212138 -0.5556539 0.1224942 -0.4142269 0.1312196 -0.8269403 -2.7596517 -0.1432211 -0.2401805 -0.2060164 -0.5989835 0.2500363 -0.2108461 0.2490534 -0.8786286 -1.7547722 0.1975632 -0.598558 0.149895 -0.7461639 0.6824542 -0.5933283 0.709877 -1.6343695 -1.5867363 -0.3776294 0.4308125 -0.4500523 -0.8765454 0.6812435 0.4990187 0.6824144 -1.4440452 -0.693602 0.2618417 0.0800403 -0.0835602 -0.6540915 -0.1460952 -0.1589306 0.071847 -0.4029627 1.7924827 0.4538793 1.0865477 -0.295661 0.2299908 -0.1585176 0.6378353 0.2697239 0.7379078 0.2192471 -0.510171 -0.1084691 0.0650615 0.0887772 0.1016662 0.249191 -0.1908994 -0.0840667 -0.6323839 -0.2199155 -0.3445867 0.4072025 -0.1125806 0.2825565 -0.0079043 -0.0634749 -0.2621472 0.543371 0.2591455 0.3201535 0.5432081 0.7984852 0.4790678 0.3644902 0.3380679 0.8183385 -0.1358892 0.1346458 0.1290666 -0.0127369 -0.5476663 -0.2159713 0.0241658 -0.1233345 -0.2460366 0.2288037 0.1416522 0.2900475 0.002767 0.2642768 0.212172 0.1933988 0.2953848 0.1485619 0.7074902 0.0257265 -0.3760987 0.0645923 0.5314524 -0.0413768 -0.5021032 -0.0684488 0.7182581 3.5297499 -0.0914166 0.8840339 0.799299 1.0891628 -0.8607214 -0.3854771 -0.8387213 2.1897383 3.2588561 0.0511793 0.4896622 -0.0884359 0.845423 -0.6639042 0.8249985 -0.6175276 1.6643902 1.0214819 -0.0231426 0.1639421 -0.0391702 0.4734055 0.0398998 0.2357525 0.0274462 0.3386851 2.0233064 0.0866802 0.1407728 0.2074185 1.2925229 -1.189969 -0.051081 -1.2185876 2.6056221 3.3729278 0.4411391 -0.1368773 0.6553961 1.0171598 -0.7373418 -0.4494425 -0.7595785 1.6264996 0.7454778 0.2993767 -0.4247466 0.1897542 0.4424706 -0.1838226 -0.2522799 -0.1796928 0.5767837 1.15007 0.0064354 0.1509871 -0.1084977 0.3343554 -0.0147154 0.3403746 0.0096894 0.3919066 0.1627113 -0.0169191 -0.0232451 -0.0252331 0.0987436 -0.0521631 -0.0262441 -0.0508258 0.1300515 0.1269025 -0.0020107 -0.0563634 -0.0176419 0.0633441 -0.0993707 -0.0547373 -0.0830083 0.1429149 1.0972176 -0.0422309 0.1793678 -0.0522967 0.3204305 0.0356326 0.4122468 0.023729 0.2964521 -0.0410744 0.006126 0.1081049 -0.1161834 0.0372888 -0.0555185 0.0147102 -0.0650993 -0.0951519 0.0554566 0.0167774 -0.0337265 -0.0761839 -0.0957226 -0.0109488 -0.0854229 0.1105814 -0.0440137 -0.0208205 0.0243088 -0.11219 0.0316835 0.1184662 -0.0361822 -0.1151763 -0.0341753 0.1247232 0.0522433 0.1046248 -0.0107204 0.1155388 0.0145842 -0.0255615 -0.0069428 -0.0293334 0.1569048 -0.0249512 -0.0714836 -0.0653039 -0.0355825 -0.0598372 -0.1604286 0.0551399 -0.0978191 -0.0836283 -0.0091931 0.0433513 -0.0098899 0.0175003 -0.1606277 0.1447707 0.0819636 0.0687346 0.0073399 0.176359 -0.0200953 -0.0162678 -0.0213182 0.4001425 -0.0235257 -0.0279113 -0.0174415 0.423604 -0.0534674 -0.0033812 0.0619581 0.0071333 0.1149476 0.0183385 0.1228969 0.0109451 -0.0885288 -0.0372167 -0.0026779 -0.0079326 -0.0852124 -0.1127276 -0.1654085 -0.1203378 -0.1421814 -0.0225551 -0.0251781 -0.0136166 -0.0000994 0.0899046 -0.1539789 0.1115976 -0.0832698 0.1065648 0.0491911 0.0503734 0.0184974 -0.049064 -0.005812 0.0771367 0.0968944 -0.0025298 0.1060529 -0.0559057 0.007629 -0.0928249 0.0774976 -0.0837964 0.0183687 -0.0520681 -0.0411509 -0.0916368 -0.027186 -0.007005 -0.0166566 0.1079649 0.0807802 -0.0582867 -0.0021634 0.0370802 0.0210501 0.0892574 -0.05393 -0.0478007 0.0365138 -0.0769634 0.0793809 0.0666107 0.0802355 0.0732815 0.0339999 -0.0315978 -0.0285805 -0.0244634 0.0796625 -0.0986186 0.0032055 -0.0907171 -0.0271114 0.102005 -0.0363616 0.0276881 0.0408875 0.0418135 0.0703125 -0.0886283 -0.0904885 -0.084782 -0.0596596 454.0487711|-5.3057268|328.4735924|36.0846389|-12.8152796|340.5763726 0.000001928 -0.000013631 0.000014625 -0.000019300 -0.000018324 0.000001010 -0.000008209 0.000014858 -0.000008655 0.000002285 0.000007637 0.000004582 0.000001550 0.000000379 -0.000014246 -0.000011555 -0.000008370 -0.000015571 0.000014248 0.000006384 -0.000005106 -0.000015314 -0.000008415 -0.000010027 0.000021492 0.000004507 0.000008080 0.000020029 -0.000013494 -0.000006581 0.000004128 0.000007249 0.000014066 0.000012445 -0.000002692 0.000000205 -0.000006298 -0.000006425 -0.000011346 0.000003646 -0.000012814 0.000003878 0.000018843 0.000004438 0.000001251 -0.000001533 -0.000010074 -0.000013112 0.000011757 0.000009673 0.000013738 0.000016302 0.000023825 0.000001057 -0.000007133 -0.000002896 -0.000004458 0.000000808 0.000011734 0.000002467 -0.000010607 0.000003189 -0.000000826 -0.000002698 0.000021565 0.000019147 -0.000012795 -0.000012844 -0.000007402 0.000005306 -0.000006490 -0.000000916 -0.000014379 -0.000007189 0.000013111 0.000005493 -0.000006261 -0.000002060 -0.000020272 -0.000008103 -0.000002104 0.000012813 -0.000005777 0.000013257 -0.000004041 0.000003111 0.000001987 -0.000000245 0.000010023 -0.000004244 -0.000020123 -0.000012361 -0.000008076 0.000003910 0.000000432 0.000000025 -0.000004834 0.000005272 -0.000005680 -0.000002846 0.000004317 -0.000000483 -0.000000260 0.000006627 -0.000003842 0.000000170 0.000006255 0.000000878 0.000004501 -0.000000911 0.000002808 -0.000000462 0.000000012 -0.000000724 -0.000000261 0.000004475 -0.000002777 0.000004052 0.000006203 0.000000704 -0.000002238 0.000002140 0.000002715 0.000000629 0.000000438 0.000006134 -0.000000177 0.000000192 0.000003800 0.000002115 0.000008899 0.000005806 0.000000471 -0.000004307 -0.000003157 -0.000001845 -0.000009017 -0.000002484 -0.000001496 -0.000003438 -0.000001452 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2574,-1.5315,-.2656;-1.7224,.9721,1.2161;-2.015,-2.0783,1.0747;-2.7945,-2.4288,-1.2913;.9807,2.0049,1.3357;-1.3539,.079,-2.6575;2.9842,-1.7589,1.5717;5.3295,.4852,-1.6083;-.727,-1.0103,-.7416;.8335,.1412,-2.0552;3.1124,.3319,-1.8324;1.8579,-.8591,-.2094;4.2116,-.6998,.0176;-3.2907,-.0849,-.1936;-2.9225,1.0213,.5997;-4.4954,-.1122,-.8954;-3.8151,2.0955,.6834;-1.3058,2.095,2.0263;-5.3669,.966,-.8062;-5.0205,2.0588,-.0127;.1157,1.8584,2.4594;-.4865,-.2508,-1.8592;1.9747,-.1418,-1.3328;2.3561,1.9072,1.6998;3.0016,-1.0892,.4276;4.1935,.0134,-1.1056;1.6966,-2.1656,2.108;6.5703,.2205,-.908;-4.7407,-.9709,-1.5057;-3.5744,2.9573,1.2892;.0459,-1.1501,-.0746;-1.9576,2.1702,2.9009;-1.3699,3.0152,1.4403;-6.3037,.9501,-1.3483;-5.6956,2.9029,.0686;.3649,2.5995,3.2305;.2253,.8567,2.8951;.9711,.6869,-2.8989;2.9399,1.9653,.7811;2.6436,2.7323,2.3637;2.5647,.9593,2.209;1.9322,-2.6574,3.0485;1.2068,-2.8615,1.4269;1.068,-1.2917,2.2811;7.335,.7078,-1.5084;6.7554,-.8522,-.8551;6.5402,.6521,.0924; Gaussian 16 16-Mar-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C15H19N5O7S)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2574,-1.5315,-.2656;-1.7224,.9721,1.2161;-2.015,-2.0783,1.0747;-2.7945,-2.4288,-1.2913;.9807,2.0049,1.3357;-1.3539,.079,-2.6575;2.9842,-1.7589,1.5717;5.3295,.4852,-1.6083;-.727,-1.0103,-.7416;.8335,.1412,-2.0552;3.1124,.3319,-1.8324;1.8579,-.8591,-.2094;4.2116,-.6998,.0176;-3.2907,-.0849,-.1936;-2.9225,1.0213,.5997;-4.4954,-.1122,-.8954;-3.8151,2.0955,.6834;-1.3058,2.0949,2.0263;-5.3669,.966,-.8062;-5.0205,2.0588,-.0127;.1157,1.8584,2.4594;-.4865,-.2508,-1.8592;1.9747,-.1418,-1.3328;2.3561,1.9072,1.6998;3.0016,-1.0892,.4276;4.1935,.0134,-1.1056;1.6966,-2.1656,2.108;6.5703,.2205,-.908;-4.7407,-.9709,-1.5057;-3.5744,2.9573,1.2892;.0459,-1.1501,-.0746;-1.9576,2.1702,2.9009;-1.3699,3.0152,1.4403;-6.3037,.9501,-1.3483;-5.6956,2.9029,.0686;.3649,2.5995,3.2305;.2253,.8567,2.8951;.9711,.6869,-2.8989;2.9399,1.9653,.7811;2.6436,2.7323,2.3637;2.5647,.9593,2.209;1.9322,-2.6574,3.0485;1.2068,-2.8615,1.4269;1.068,-1.2917,2.2811;7.335,.7078,-1.5084;6.7554,-.8522,-.8551;6.5402,.6521,.0924; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sul #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction cinosulfuron CONF90 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 32 16 16 16 16 16 16 16 14 14 14 14 14 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 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 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 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 0 2 2 2 2 2 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 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 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 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 766 A 738 A 738 1174 766 108 108 3099.1287034986 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0580818720 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.957973 0.000000 1.467692 3.067687 0.000000 1.464768 4.359147 2.515546 0.000000 5.055213 2.896093 5.070985 6.388270 0.000000 3.021764 3.992204 4.361200 3.198583 5.010424 0.000000 5.558893 5.453101 5.033976 6.483648 4.270349 6.331051 0.000000 7.964318 7.612010 8.228698 8.636558 5.467061 6.777384 4.544073 0.000000 1.685286 2.958570 2.469461 2.566810 4.040144 2.291365 4.436696 6.298325 0.000000 3.943911 4.233729 4.778770 4.511195 3.872108 2.269687 4.624888 4.531148 2.342439 0.000000 5.895945 5.751397 6.367969 6.542608 4.168970 4.548927 3.996940 2.233592 4.211051 2.297680 0.000000 4.170295 4.266601 4.258548 5.027861 3.370353 4.145964 2.291328 3.976871 2.643510 2.336009 2.371992 0.000000 6.528429 6.280455 6.464445 7.334037 4.414972 6.223958 2.245775 2.301589 5.006310 4.051571 2.386449 2.369973 0.000000 1.779245 2.358828 2.685120 2.635368 4.995045 3.138277 6.729998 8.754085 2.780172 4.530593 6.622676 5.206582 7.530488 0.000000 2.776321 1.350078 3.264509 3.936408 4.091920 3.735955 6.600246 8.559065 3.278217 4.683047 6.543000 5.200312 7.361869 1.410140 0.000000 2.723964 3.650208 3.728219 2.901153 6.280717 3.606999 8.046287 9.868811 3.877018 5.459593 7.678191 6.433810 8.774507 1.394507 2.448319 0.000000 4.059837 2.434201 4.562291 5.040867 4.840746 4.613551 7.866100 9.563870 4.605754 5.738377 7.578260 6.458329 8.525570 2.407930 1.399150 2.798121 0.000000 4.394256 1.445956 4.338771 5.804011 2.390187 5.099389 5.784720 7.734895 4.199868 5.005265 6.125270 4.871762 6.502913 3.690441 2.408653 4.856085 2.846017 0.000000 4.024811 4.168027 4.903171 4.286926 6.779295 4.507613 9.100572 10.737210 5.043715 6.378597 8.564761 7.475708 9.757193 2.406301 2.820412 1.389247 2.429568 5.078390 0.000000 4.537526 3.683555 5.227938 5.169982 6.151024 4.935441 9.008891 10.589826 5.327767 6.489939 8.511089 7.474364 9.635538 2.760480 2.419300 2.401702 1.392446 4.237647 1.394216 0.000000 4.954659 2.389530 4.685661 6.396601 1.425562 5.613184 4.701195 6.753892 4.380174 4.883187 5.452528 4.188382 5.411421 4.734797 3.659221 6.033284 4.319885 1.504733 6.443561 5.703671 0.000000 2.704744 3.532694 3.779366 3.223794 4.177060 1.224081 5.107906 5.867735 1.372517 1.390920 3.645921 2.930587 5.079036 3.265759 3.687566 4.125438 4.800933 4.611997 5.138861 5.413028 4.843672 0.000000 4.580504 4.626634 5.046192 5.289372 3.566070 3.589325 3.474159 3.423929 2.898856 1.379946 1.329805 1.337966 2.671829 5.387562 5.391645 6.484975 6.526252 5.200768 7.443417 7.451071 4.672990 2.519271 0.000000 6.080430 4.212150 5.948272 7.367181 1.426134 6.007615 3.721754 4.669734 4.896704 4.420027 3.940798 3.397858 3.615153 6.280093 5.464290 7.599745 6.257129 3.681219 8.173772 7.574268 2.366158 5.040167 3.679649 0.000000 5.322880 5.214055 5.153968 6.192191 3.805539 5.463745 1.325776 3.470255 3.908408 3.518308 2.671965 1.329139 1.335654 6.402166 6.291162 7.675298 7.528266 5.590023 8.705076 8.628899 4.598353 4.254308 2.247431 3.318672 0.000000 6.686323 6.427065 6.904727 7.404803 4.499817 5.760760 3.430979 1.328756 5.039095 3.493918 1.341036 2.649431 1.330665 7.540255 7.386590 8.692400 8.466006 6.662154 9.612471 9.501400 5.722035 4.747687 2.235794 3.851319 2.233232 0.000000 4.655110 4.725461 3.853750 5.638589 4.301406 6.087141 1.452899 5.833987 3.915156 4.837170 4.875326 2.665194 3.583827 5.873682 5.810992 7.181807 7.110937 5.212838 8.257904 8.213559 4.337697 4.916383 4.001505 4.146043 2.384401 4.616304 0.000000 9.022815 8.593361 9.106271 9.739883 6.281948 8.116277 4.788276 1.449213 7.402309 5.850901 3.581057 4.884699 2.695778 9.891625 9.645132 11.070771 10.672635 8.611484 11.960971 11.769833 7.462204 7.136253 4.629398 5.235027 4.029301 2.393983 6.208332 0.000000 2.831728 4.504846 3.913296 2.441101 7.047168 3.728135 8.352489 10.175361 4.085917 5.710549 7.967118 6.725659 9.085017 2.146885 3.421617 1.081695 3.879701 5.802840 2.152544 3.389239 6.878330 4.329098 6.768578 8.301957 7.980848 8.997143 7.478252 11.389259 0.000000 4.929588 2.715927 5.275890 6.023004 4.653771 5.365691 8.083119 9.684262 5.288976 6.208458 7.832647 6.805914 8.695586 3.396118 2.155982 3.878442 1.080516 2.536402 3.401287 2.143198 4.024125 5.453297 6.875386 6.036684 7.769140 8.645312 7.395790 10.734657 4.960085 0.000000 2.342509 3.049042 2.535767 3.344128 3.580042 3.184538 3.422581 5.739499 1.030440 2.492055 3.832671 1.840156 4.190973 3.504613 3.739189 4.730239 5.100618 4.095319 5.857693 5.997509 3.934121 2.068052 2.513917 4.222847 2.998619 4.429352 2.918853 6.718688 4.999168 5.642460 0.000000 4.880451 2.080683 4.624735 6.278910 3.333270 5.969282 6.451831 8.733487 4.989730 6.039051 7.175577 5.780044 7.389869 4.054376 2.747050 5.105036 2.893590 1.093350 5.178353 4.228736 2.142637 5.539235 6.223509 4.485541 6.429196 7.651163 5.725499 9.541251 6.085209 2.414730 4.887979 0.000000 4.936660 2.085430 5.147277 6.255261 2.560665 5.041145 6.462816 7.783114 4.623761 5.033285 6.164616 5.305758 6.854160 3.996215 2.663250 5.000516 2.719850 1.092910 5.022155 4.043845 2.140996 4.725860 5.370572 3.895913 6.081290 6.815010 6.057291 8.739160 5.994205 2.210393 4.652946 1.786854 0.000000 4.868588 5.250269 5.782300 4.871842 7.834453 5.193593 10.105922 11.645372 5.942300 7.217661 9.448837 8.437002 10.731290 3.388594 3.902858 2.145542 3.410735 6.138213 1.082457 2.158664 7.518804 5.961780 8.350145 9.230325 9.690260 10.541743 9.255182 12.902229 2.481581 4.293524 6.808180 6.199384 6.031876 0.000000 5.621076 4.564111 6.274642 6.220322 6.854506 5.852861 9.966425 11.410926 6.376232 7.400493 9.370450 8.443082 10.542069 3.844303 3.392974 3.385299 2.136835 4.873946 2.150492 1.083865 6.370065 6.387201 8.370625 8.275350 9.576346 10.369298 9.192007 12.593734 4.289153 2.447904 7.029403 4.746646 4.539336 2.488147 0.000000 6.013691 3.326122 5.673973 7.464033 2.079165 6.631364 5.348660 7.247830 5.477276 5.848201 6.190630 5.101359 6.000459 5.682771 4.496551 6.928163 4.920779 2.120376 7.198402 6.309772 1.098159 5.895226 5.561401 2.605220 5.330557 6.336229 5.073461 7.829069 7.826023 4.406216 5.008521 2.384800 2.527306 8.255699 6.842451 0.000000 4.675183 2.574076 4.116713 6.118746 2.078648 5.824923 4.025454 6.817003 4.197397 5.038613 5.564225 3.904797 5.156919 4.773787 3.899335 6.131253 4.769820 2.152326 6.707055 6.117098 1.097904 4.933197 4.683198 2.659486 4.193199 5.697709 3.452334 7.424850 6.882460 4.629163 3.588711 2.547656 3.052985 7.787384 6.872621 1.780304 0.000000 4.720041 4.926373 5.687948 5.145068 4.434956 2.415246 5.479088 4.549908 3.227757 1.014191 2.418425 3.226469 4.574937 5.106602 5.245178 5.876664 6.142003 5.605735 6.680425 6.790562 5.551126 2.021139 2.036362 4.955276 4.282880 3.748794 5.807939 5.960921 6.108471 6.584493 3.493852 6.664433 5.452509 7.442885 7.626357 6.449390 5.844285 0.000000 6.350990 4.786706 6.402214 7.515695 2.036622 5.815357 3.807431 3.689157 4.961776 3.976014 3.086772 3.182574 3.050064 6.631284 5.940699 7.900053 6.756951 4.426458 8.515969 8.000452 3.286969 4.860289 3.136807 1.090020 3.075483 2.990130 4.513404 4.367768 8.534750 6.608947 4.337388 5.340550 4.484599 9.539902 8.715431 3.610035 3.614872 4.364943 0.000000 7.008095 4.845345 6.819609 8.340780 2.085991 6.944914 4.573244 5.295273 5.917037 5.432936 4.856845 4.487341 4.443229 7.049304 6.084493 8.347399 6.704009 4.014745 8.794139 8.052307 2.676433 6.043933 4.729833 1.097394 4.298907 4.672304 4.995226 5.694940 9.122169 6.314171 5.269403 4.666513 4.128102 9.849372 8.650951 2.441630 3.106274 5.888588 1.783441 0.000000 5.964930 4.400576 5.611398 7.242353 2.089282 6.309724 2.823260 4.737135 4.839495 4.674349 4.126326 3.107186 3.204251 6.414730 5.718675 7.786595 6.657340 4.037828 8.485416 7.979995 2.620827 5.227257 3.755577 1.096094 2.749645 3.812390 3.244835 5.129011 8.419810 6.521227 4.001086 4.732507 4.505459 9.555282 8.751644 2.927948 2.440120 5.357633 1.786521 1.781525 0.000000 5.459227 5.466858 4.451002 6.420783 5.057276 7.130486 2.023614 6.565309 4.914102 5.923384 5.843964 3.721978 4.267844 6.663899 6.564868 7.959061 7.824001 5.840761 9.014681 8.941652 4.903003 5.977186 5.052274 4.778576 3.236036 5.431737 1.087139 6.741595 8.252959 8.058661 3.947601 6.201468 6.757903 10.008760 9.898431 5.488618 3.909709 6.890528 5.246515 5.479482 3.766367 0.000000 4.078480 4.829139 3.334281 4.856505 4.872457 5.646729 2.096583 6.116292 3.445069 4.613042 4.944897 2.666635 3.960813 5.528401 5.728128 6.742941 7.095341 5.589156 7.927817 8.066035 4.953167 4.525612 3.949963 4.912817 2.713080 4.857917 1.089947 6.611967 6.895397 7.532357 2.555564 6.124035 6.416813 8.867771 9.094803 5.812413 4.116267 5.599920 5.168970 5.850874 4.129633 1.788094 0.000000 4.195379 3.747653 3.402812 5.382661 3.430548 5.668622 2.096021 6.036939 3.526674 4.572871 4.871993 2.648300 3.918690 5.155454 4.909283 6.514064 6.153871 4.143571 7.485755 7.318257 3.295723 4.543282 3.899246 3.497157 2.686092 4.789773 1.090354 6.537040 6.941393 6.370957 2.571752 4.639303 5.019957 8.517029 8.260458 4.066595 2.388023 5.545823 4.044967 4.322291 2.704119 1.789124 1.792513 0.000000 9.928439 9.461993 10.092501 10.606243 7.081622 8.787092 5.873824 2.020355 8.278701 6.548991 4.251656 5.843048 3.750437 10.736096 10.476608 11.874668 11.447902 9.438352 12.723985 12.518858 8.317805 7.887881 5.430061 6.043244 5.075069 3.242448 7.288843 1.087531 12.191810 11.484840 7.657570 10.389132 9.476029 13.641838 13.307982 8.638182 8.364319 6.514094 5.112739 6.410996 6.052967 7.828241 7.675377 7.591713 0.000000 9.057611 8.915787 9.063572 9.689006 6.805198 8.359268 4.575322 2.095120 7.485004 6.123409 3.953340 4.939887 2.693645 10.097130 9.964399 11.275263 11.081160 9.053844 12.258092 12.159653 7.900587 7.335952 4.856784 5.787576 3.974026 2.715813 6.008049 1.089877 11.515112 11.216745 6.761300 9.957909 9.286960 13.192178 13.037735 8.333376 7.721866 6.324954 5.017337 6.333745 5.498394 6.462225 6.327081 6.509651 1.787916 0.000000 9.071582 8.344741 9.033906 9.926837 5.855251 8.378935 4.543822 2.094318 7.501427 6.118733 3.944224 4.929306 2.693571 9.862631 9.483455 11.106055 10.472054 8.208608 11.945099 11.646433 6.952083 7.348361 4.848165 4.654616 3.958044 2.711077 5.955030 1.089999 11.508489 10.442709 6.741722 9.077713 8.364854 12.927881 12.441086 7.195394 6.911931 6.321692 3.893659 4.966786 4.514264 6.397266 6.524645 6.205905 1.788190 1.790830 0.000000 C15H19N5O7S 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 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2082,-1.3742,.9937;-1.8494,1.4638,.241;-1.9651,-.7906,2.3182;-2.6704,-2.7624,.9245;.7873,2.4233,-.4764;-1.3445,-1.8965,-1.8545;2.9955,.0655,2.3164;5.2799,-.493,-1.5718;-.6996,-1.2622,.2508;.8219,-1.3026,-1.5297;3.0808,-.8835,-1.5653;1.86,-.6336,.4531;4.1952,-.2293,.441;-3.3234,-.3669,.0411;-3.0363,.9929,-.1974;-4.5086,-.9525,-.4028;-3.9901,1.7554,-.8805;-1.5155,2.8501,.0013;-5.4417,-.182,-1.0853;-5.1757,1.1674,-1.3135;-.0928,3.0717,.4386;-.4778,-1.5115,-1.0806;1.9609,-.9234,-.8492;2.1576,2.6905,-.1853;3.0004,-.278,1.0359;4.1617,-.5294,-.855;1.7215,.0902,3.0144;6.5179,-.1112,-.9223;-4.691,-2.0019,-.2148;-3.8123,2.8035,-1.0737;.0649,-.8427,.7996;-2.1899,3.4885,.5784;-1.6186,3.0746,-1.0633;-6.3638,-.6311,-1.4316;-5.8993,1.779,-1.8399;.0966,4.1533,.4471;.0637,2.6858,1.4545;.947,-1.5126,-2.514;2.7575,2.1103,-.8864;2.3829,3.7569,-.3127;2.4083,2.4001,.8415;1.9636,.4276,4.0191;1.2873,-.9092,3.0429;1.0406,.7906,2.53;7.2669,-.1541,-1.7096;6.7624,-.8149,-.1267;6.441,.9011,-.5256; 0.3135691 0.1063455 0.1000682 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= 738 RedAO= T EigKep= 1.99D-06 NBF= 738 NBsUse= 736 1.00D-06 EigRej= 8.59D-07 NBFU= 736 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= 757 757 757 757 757 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1782.01857767470 -1782.01857767492 -0.000000000217 -1782.01857767 2 1.776106932062e+03 -1.038057579220e+04 3.723367767921e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323432871 LenY= 11322845349 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. PT811.400S 2022-03-16T23:23:24.000 -89.09995 -19.18766 -19.18442 -19.17397 -19.14510 -19.14417 -19.13440 -19.12697 -14.38132 -14.37364 -14.33706 -14.33183 -14.33085 -10.34781 -10.33068 -10.32720 -10.32089 -10.26859 -10.23043 -10.22538 -10.22342 -10.22209 -10.21970 -10.20587 -10.20180 -10.19408 -10.18818 -10.18315 -8.16053 -6.12392 -6.12291 -6.12123 -1.15147 -1.12555 -1.11108 -1.09413 -1.09143 -1.04049 -1.03946 -1.03657 -0.97671 -0.94890 -0.91806 -0.90760 -0.88322 -0.80112 -0.78621 -0.75756 -0.75130 -0.74494 -0.72100 -0.69803 -0.68580 -0.66181 -0.64373 -0.64136 -0.61549 -0.60762 -0.60039 -0.58706 -0.57283 -0.55505 -0.53951 -0.53018 -0.52544 -0.51931 -0.51222 -0.50839 -0.50308 -0.48773 -0.48603 -0.48353 -0.47829 -0.47105 -0.46514 -0.46306 -0.45835 -0.45126 -0.44734 -0.44153 -0.43856 -0.41657 -0.40930 -0.40386 -0.39591 -0.39139 -0.38774 -0.38428 -0.37958 -0.37506 -0.37289 -0.36903 -0.36218 -0.35640 -0.34432 -0.34204 -0.33767 -0.33278 -0.31938 -0.31585 -0.31342 -0.30713 -0.30183 -0.29634 -0.28790 -0.27984 -0.27140 -0.24813 -0.05780 -0.05039 -0.03573 -0.02069 0.00036 0.00789 0.00988 0.01583 0.01803 0.01935 0.02850 0.03012 0.03200 0.03564 0.03790 0.04218 0.04352 0.04785 0.04907 0.05462 0.06000 0.06084 0.06484 0.06823 0.07078 0.07430 0.07602 0.07983 0.08317 0.08368 0.08656 0.08827 0.09173 0.09441 0.10052 0.10355 0.10554 0.10990 0.11250 0.11435 0.11478 0.11982 0.12294 0.12376 0.12980 0.13374 0.13567 0.14043 0.14304 0.14408 0.14641 0.14684 0.15139 0.15242 0.15815 0.16154 0.16452 0.16562 0.16770 0.16916 0.17535 0.18079 0.18140 0.18281 0.18624 0.18709 0.19058 0.19241 0.19733 0.19849 0.20143 0.20357 0.20537 0.20808 0.21048 0.21373 0.21612 0.21859 0.21918 0.22018 0.22345 0.22744 0.23090 0.23154 0.23507 0.23679 0.24017 0.24172 0.24265 0.24706 0.24806 0.24987 0.25269 0.25474 0.25748 0.26040 0.26290 0.26507 0.26622 0.27025 0.27355 0.27640 0.27948 0.28225 0.28406 0.28534 0.28798 0.29004 0.29359 0.29879 0.30048 0.30479 0.30682 0.31151 0.31300 0.31473 0.31712 0.31860 0.32194 0.32368 0.32687 0.32870 0.33416 0.33597 0.33978 0.34428 0.34678 0.34880 0.35301 0.35462 0.35776 0.36338 0.36639 0.36867 0.37147 0.37486 0.37755 0.38097 0.38176 0.38469 0.38779 0.39440 0.40106 0.40422 0.40926 0.41505 0.41774 0.42948 0.43324 0.43799 0.44217 0.44512 0.45050 0.45243 0.45807 0.46480 0.47099 0.47203 0.48185 0.48326 0.49370 0.49821 0.50264 0.50615 0.51460 0.52363 0.52633 0.53322 0.53529 0.53829 0.54885 0.55268 0.55617 0.55814 0.56266 0.57139 0.57305 0.57600 0.58173 0.59124 0.59560 0.60069 0.60750 0.60940 0.61506 0.61940 0.62243 0.62646 0.63363 0.63546 0.64453 0.64890 0.65418 0.66422 0.66818 0.67376 0.67701 0.68532 0.69014 0.69153 0.69774 0.70811 0.71299 0.71667 0.72364 0.72755 0.73061 0.73310 0.73969 0.74467 0.74559 0.75283 0.75899 0.76195 0.77043 0.77364 0.77838 0.78822 0.79235 0.79813 0.80590 0.81105 0.81423 0.82232 0.83472 0.84232 0.84651 0.85217 0.85937 0.86570 0.87023 0.88715 0.89591 0.89819 0.90196 0.90690 0.91731 0.92677 0.93567 0.94136 0.94724 0.95040 0.95320 0.95777 0.96554 0.96816 0.97580 0.98180 0.98356 0.99521 0.99967 1.00414 1.00838 1.01826 1.02315 1.02879 1.03587 1.04037 1.04244 1.04878 1.05615 1.06187 1.07240 1.07653 1.08169 1.08612 1.09705 1.10338 1.10483 1.10847 1.11418 1.13161 1.13533 1.14175 1.14896 1.15138 1.15889 1.16241 1.17107 1.17971 1.18535 1.19848 1.20333 1.20620 1.22097 1.22847 1.23186 1.23876 1.24818 1.25485 1.26342 1.27213 1.27670 1.28347 1.28782 1.30093 1.30879 1.31390 1.32086 1.32965 1.33153 1.34298 1.35085 1.35974 1.36778 1.37642 1.38124 1.38551 1.40085 1.40508 1.41097 1.43044 1.43523 1.44675 1.47076 1.48753 1.49634 1.50717 1.51366 1.52214 1.52997 1.54268 1.54374 1.54933 1.55608 1.55971 1.56649 1.56930 1.57579 1.57807 1.58551 1.59060 1.60333 1.60518 1.61407 1.62111 1.62647 1.62988 1.63997 1.65378 1.65601 1.65996 1.66990 1.67368 1.67735 1.68444 1.69137 1.70312 1.71097 1.71235 1.72130 1.72412 1.72797 1.73536 1.73917 1.74361 1.74674 1.75796 1.76308 1.76925 1.78096 1.78232 1.78920 1.79243 1.80392 1.81316 1.82805 1.83607 1.84093 1.85288 1.86354 1.87507 1.87888 1.89196 1.89629 1.90274 1.90704 1.91824 1.92625 1.93363 1.94087 1.95562 1.96873 1.98075 1.99313 1.99956 2.00974 2.01930 2.02912 2.04204 2.04591 2.05252 2.05833 2.06996 2.09716 2.10879 2.11538 2.11544 2.12957 2.13834 2.14304 2.15804 2.16548 2.17855 2.19399 2.19557 2.20367 2.21925 2.22258 2.24010 2.25070 2.25440 2.27154 2.27620 2.27889 2.29692 2.30447 2.31768 2.33752 2.34910 2.36310 2.37415 2.40571 2.42998 2.43734 2.44466 2.45457 2.46256 2.49210 2.49889 2.50579 2.51285 2.51836 2.52209 2.53264 2.53442 2.53871 2.54767 2.56084 2.56930 2.57416 2.57668 2.58546 2.59674 2.60440 2.61527 2.63808 2.65852 2.66489 2.66841 2.69084 2.69532 2.70286 2.71386 2.72228 2.72622 2.72999 2.73773 2.74213 2.74637 2.75272 2.76734 2.77348 2.78108 2.78979 2.80121 2.80469 2.80937 2.81403 2.81869 2.82128 2.82547 2.83201 2.84007 2.84840 2.85363 2.85946 2.86440 2.86746 2.87621 2.88489 2.89541 2.90184 2.90444 2.91079 2.92404 2.94021 2.94576 2.95193 2.95738 2.97067 2.99026 3.01727 3.02150 3.02500 3.04524 3.04811 3.06053 3.06955 3.07775 3.09197 3.11159 3.11542 3.13302 3.13740 3.15934 3.17819 3.20155 3.20588 3.21313 3.22364 3.23960 3.25379 3.25440 3.25882 3.27697 3.31751 3.33324 3.33512 3.35479 3.37001 3.37622 3.39023 3.40123 3.42229 3.47116 3.50008 3.53438 3.54497 3.55184 3.57509 3.60021 3.63721 3.66683 3.67382 3.70306 3.74480 3.78314 3.78556 3.79907 3.80631 3.81725 3.82118 3.82770 3.84333 3.86167 3.91130 3.93782 3.94794 3.96855 3.99213 3.99852 4.01155 4.02576 4.02915 4.03442 4.07092 4.09092 4.10706 4.10893 4.15508 4.18673 4.23713 4.31215 4.37897 4.38745 4.47700 4.54246 4.68375 4.77300 4.83447 4.93697 4.98669 5.01393 5.03201 5.04209 5.07203 5.08346 5.09108 5.10487 5.11929 5.14776 5.15485 5.21406 5.26739 5.30802 5.32359 5.39012 5.41214 5.43058 5.47482 5.67631 5.76630 5.81637 5.83167 5.86243 8.20667 17.37934 17.43270 17.57239 23.58669 23.81699 23.84303 23.86841 23.88428 23.89521 23.90640 23.92256 23.93023 23.93881 23.94345 23.94444 24.03699 24.08019 24.17814 35.53327 35.58543 35.64138 35.71660 35.72346 49.88201 49.93398 49.93591 49.94242 49.97852 49.98507 50.02566 189.32124 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 S O O O O O O O N N N N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.890922 -0.096970 -0.364487 -0.142930 -0.207654 -0.337906 -0.170221 -0.119994 -0.488351 -0.473371 -0.311253 -0.181297 -0.148829 -0.291409 0.288308 -0.077976 -0.088943 -0.056211 -0.491191 -0.496229 -0.451081 0.226352 -0.113545 -0.298341 0.130721 0.261255 -0.277588 -0.180367 0.196715 0.191877 0.464307 0.208959 0.208029 0.173944 0.181647 0.189922 0.178751 0.422755 0.174197 0.161194 0.162978 0.195104 0.194296 0.194841 0.193923 0.187257 0.187888 -0.00000 3.4603 10.6716 -0.0775 11.2188 -138.4047 -162.5127 -181.1706 -18.9530 13.2143 0.9924 22.2913 -1.8167 -20.4746 -18.9530 13.2143 0.9924 62.3921 123.9961 31.1724 22.8986 71.0587 -85.7303 19.0037 24.6305 3.5908 0.3374 -8256.9784 -2463.3306 -1770.2197 -37.1656 92.3746 -176.7283 23.8736 80.4998 12.4674 -2120.3197 -2218.9951 -758.4083 -96.5760 50.3799 -43.2926 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTILLA APULGAR 2022-03-16T00:00:00.000 0 Wavefunction cinosulfuronCONF90 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1782.0185777 RMSD=9.692e-10 Dipole=1.5937533,2.8863246,2.9344338 Quadrupole=14.4412742,-7.12891,-7.3123642,-18.073415,-3.2330303,7.4971086 PG=C01 [X(C15H19N5O7S1)] 0 -2.2574023054 -1.5314944033 -0.2656107018 0 -1.7223696182 0.9720807567 1.2160964177 0 -2.0150240758 -2.0783377562 1.0746629687 0 -2.7944765692 -2.4287853157 -1.2912642093 0 0.9806643909 2.0048711107 1.3357095413 0 -1.3538935448 0.0790384997 -2.6574541935 0 2.9841655961 -1.7589292109 1.5716509304 0 5.329464167 0.4851818303 -1.6083084555 0 -0.7270245923 -1.0103406279 -0.7415626975 0 0.8335482231 0.1411808849 -2.055195453 0 3.1124362104 0.3318779425 -1.8324053784 0 1.8579446392 -0.8590978499 -0.2093915096 0 4.2116393483 -0.6998180752 0.017592633 0 -3.2907243951 -0.0848525259 -0.1935939019 0 -2.9225014661 1.021322452 0.5996809011 0 -4.4954256449 -0.1121512915 -0.8954483387 0 -3.8150700499 2.0955370317 0.6833830948 0 -1.3058099432 2.0949504544 2.0263002092 0 -5.3669379392 0.9660425145 -0.8061636748 0 -5.0205093577 2.0588259928 -0.0126586789 0 0.1157087681 1.8584082233 2.4593760199 0 -0.4865260714 -0.2507813319 -1.8591638871 0 1.9747202203 -0.1417583965 -1.3327530059 0 2.3560876656 1.9072081797 1.6997557142 0 3.0015810389 -1.0892121383 0.4275971774 0 4.1935259152 0.0134405186 -1.1056180762 0 1.6965851823 -2.1656399623 2.1079716734 0 6.5703398259 0.2204903006 -0.9080337945 0 -4.740651656 -0.9709167948 -1.5057353437 0 -3.5743702285 2.9572792196 1.2891716614 0 0.0459485745 -1.1501112483 -0.0746422524 0 -1.9576410495 2.1701735394 2.9008701267 0 -1.3699116841 3.0152462189 1.4402973125 0 -6.3037183965 0.9500928403 -1.34829116 0 -5.695590676 2.9028755879 0.0686403323 0 0.3649211152 2.5995071539 3.2304908705 0 0.2252923548 0.8566584453 2.8951315114 0 0.9710970148 0.6869379323 -2.898885642 0 2.9399183002 1.9652639115 0.7811075015 0 2.643635824 2.7323187599 2.3636706981 0 2.5647102261 0.959277145 2.2089965656 0 1.9321520112 -2.6574480839 3.0484530872 0 1.2067855157 -2.8614825675 1.4268821409 0 1.0679854949 -1.2916963331 2.2810534798 0 7.3350278366 0.7078316159 -1.5084293924 0 6.7554492083 -0.8522448312 -0.8550581766 0 6.5401762613 0.6520854825 0.0924230229 Gaussian 16 16-Mar-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C15H19N5O7S)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2574,-1.5315,-.2656;-1.7224,.9721,1.2161;-2.015,-2.0783,1.0747;-2.7945,-2.4288,-1.2913;.9807,2.0049,1.3357;-1.3539,.079,-2.6575;2.9842,-1.7589,1.5717;5.3295,.4852,-1.6083;-.727,-1.0103,-.7416;.8335,.1412,-2.0552;3.1124,.3319,-1.8324;1.8579,-.8591,-.2094;4.2116,-.6998,.0176;-3.2907,-.0849,-.1936;-2.9225,1.0213,.5997;-4.4954,-.1122,-.8954;-3.8151,2.0955,.6834;-1.3058,2.0949,2.0263;-5.3669,.966,-.8062;-5.0205,2.0588,-.0127;.1157,1.8584,2.4594;-.4865,-.2508,-1.8592;1.9747,-.1418,-1.3328;2.3561,1.9072,1.6998;3.0016,-1.0892,.4276;4.1935,.0134,-1.1056;1.6966,-2.1656,2.108;6.5703,.2205,-.908;-4.7407,-.9709,-1.5057;-3.5744,2.9573,1.2892;.0459,-1.1501,-.0746;-1.9576,2.1702,2.9009;-1.3699,3.0152,1.4403;-6.3037,.9501,-1.3483;-5.6956,2.9029,.0686;.3649,2.5995,3.2305;.2253,.8567,2.8951;.9711,.6869,-2.8989;2.9399,1.9653,.7811;2.6436,2.7323,2.3637;2.5647,.9593,2.209;1.9322,-2.6574,3.0485;1.2068,-2.8615,1.4269;1.068,-1.2917,2.2811;7.335,.7078,-1.5084;6.7554,-.8522,-.8551;6.5402,.6521,.0924; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sul #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum cinosulfuron CONF90 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 32 16 16 16 16 16 16 16 14 14 14 14 14 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 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 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 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 0 2 2 2 2 2 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 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 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 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 766 A 738 A 738 1174 766 108 108 3099.1287034986 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0580818720 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.957973 0.000000 1.467692 3.067687 0.000000 1.464768 4.359147 2.515546 0.000000 5.055213 2.896093 5.070985 6.388270 0.000000 3.021764 3.992204 4.361200 3.198583 5.010424 0.000000 5.558893 5.453101 5.033976 6.483648 4.270349 6.331051 0.000000 7.964318 7.612010 8.228698 8.636558 5.467061 6.777384 4.544073 0.000000 1.685286 2.958570 2.469461 2.566810 4.040144 2.291365 4.436696 6.298325 0.000000 3.943911 4.233729 4.778770 4.511195 3.872108 2.269687 4.624888 4.531148 2.342439 0.000000 5.895945 5.751397 6.367969 6.542608 4.168970 4.548927 3.996940 2.233592 4.211051 2.297680 0.000000 4.170295 4.266601 4.258548 5.027861 3.370353 4.145964 2.291328 3.976871 2.643510 2.336009 2.371992 0.000000 6.528429 6.280455 6.464445 7.334037 4.414972 6.223958 2.245775 2.301589 5.006310 4.051571 2.386449 2.369973 0.000000 1.779245 2.358828 2.685120 2.635368 4.995045 3.138277 6.729998 8.754085 2.780172 4.530593 6.622676 5.206582 7.530488 0.000000 2.776321 1.350078 3.264509 3.936408 4.091920 3.735955 6.600246 8.559065 3.278217 4.683047 6.543000 5.200312 7.361869 1.410140 0.000000 2.723964 3.650208 3.728219 2.901153 6.280717 3.606999 8.046287 9.868811 3.877018 5.459593 7.678191 6.433810 8.774507 1.394507 2.448319 0.000000 4.059837 2.434201 4.562291 5.040867 4.840746 4.613551 7.866100 9.563870 4.605754 5.738377 7.578260 6.458329 8.525570 2.407930 1.399150 2.798121 0.000000 4.394256 1.445956 4.338771 5.804011 2.390187 5.099389 5.784720 7.734895 4.199868 5.005265 6.125270 4.871762 6.502913 3.690441 2.408653 4.856085 2.846017 0.000000 4.024811 4.168027 4.903171 4.286926 6.779295 4.507613 9.100572 10.737210 5.043715 6.378597 8.564761 7.475708 9.757193 2.406301 2.820412 1.389247 2.429568 5.078390 0.000000 4.537526 3.683555 5.227938 5.169982 6.151024 4.935441 9.008891 10.589826 5.327767 6.489939 8.511089 7.474364 9.635538 2.760480 2.419300 2.401702 1.392446 4.237647 1.394216 0.000000 4.954659 2.389530 4.685661 6.396601 1.425562 5.613184 4.701195 6.753892 4.380174 4.883187 5.452528 4.188382 5.411421 4.734797 3.659221 6.033284 4.319885 1.504733 6.443561 5.703671 0.000000 2.704744 3.532694 3.779366 3.223794 4.177060 1.224081 5.107906 5.867735 1.372517 1.390920 3.645921 2.930587 5.079036 3.265759 3.687566 4.125438 4.800933 4.611997 5.138861 5.413028 4.843672 0.000000 4.580504 4.626634 5.046192 5.289372 3.566070 3.589325 3.474159 3.423929 2.898856 1.379946 1.329805 1.337966 2.671829 5.387562 5.391645 6.484975 6.526252 5.200768 7.443417 7.451071 4.672990 2.519271 0.000000 6.080430 4.212150 5.948272 7.367181 1.426134 6.007615 3.721754 4.669734 4.896704 4.420027 3.940798 3.397858 3.615153 6.280093 5.464290 7.599745 6.257129 3.681219 8.173772 7.574268 2.366158 5.040167 3.679649 0.000000 5.322880 5.214055 5.153968 6.192191 3.805539 5.463745 1.325776 3.470255 3.908408 3.518308 2.671965 1.329139 1.335654 6.402166 6.291162 7.675298 7.528266 5.590023 8.705076 8.628899 4.598353 4.254308 2.247431 3.318672 0.000000 6.686323 6.427065 6.904727 7.404803 4.499817 5.760760 3.430979 1.328756 5.039095 3.493918 1.341036 2.649431 1.330665 7.540255 7.386590 8.692400 8.466006 6.662154 9.612471 9.501400 5.722035 4.747687 2.235794 3.851319 2.233232 0.000000 4.655110 4.725461 3.853750 5.638589 4.301406 6.087141 1.452899 5.833987 3.915156 4.837170 4.875326 2.665194 3.583827 5.873682 5.810992 7.181807 7.110937 5.212838 8.257904 8.213559 4.337697 4.916383 4.001505 4.146043 2.384401 4.616304 0.000000 9.022815 8.593361 9.106271 9.739883 6.281948 8.116277 4.788276 1.449213 7.402309 5.850901 3.581057 4.884699 2.695778 9.891625 9.645132 11.070771 10.672635 8.611484 11.960971 11.769833 7.462204 7.136253 4.629398 5.235027 4.029301 2.393983 6.208332 0.000000 2.831728 4.504846 3.913296 2.441101 7.047168 3.728135 8.352489 10.175361 4.085917 5.710549 7.967118 6.725659 9.085017 2.146885 3.421617 1.081695 3.879701 5.802840 2.152544 3.389239 6.878330 4.329098 6.768578 8.301957 7.980848 8.997143 7.478252 11.389259 0.000000 4.929588 2.715927 5.275890 6.023004 4.653771 5.365691 8.083119 9.684262 5.288976 6.208458 7.832647 6.805914 8.695586 3.396118 2.155982 3.878442 1.080516 2.536402 3.401287 2.143198 4.024125 5.453297 6.875386 6.036684 7.769140 8.645312 7.395790 10.734657 4.960085 0.000000 2.342509 3.049042 2.535767 3.344128 3.580042 3.184538 3.422581 5.739499 1.030440 2.492055 3.832671 1.840156 4.190973 3.504613 3.739189 4.730239 5.100618 4.095319 5.857693 5.997509 3.934121 2.068052 2.513917 4.222847 2.998619 4.429352 2.918853 6.718688 4.999168 5.642460 0.000000 4.880451 2.080683 4.624735 6.278910 3.333270 5.969282 6.451831 8.733487 4.989730 6.039051 7.175577 5.780044 7.389869 4.054376 2.747050 5.105036 2.893590 1.093350 5.178353 4.228736 2.142637 5.539235 6.223509 4.485541 6.429196 7.651163 5.725499 9.541251 6.085209 2.414730 4.887979 0.000000 4.936660 2.085430 5.147277 6.255261 2.560665 5.041145 6.462816 7.783114 4.623761 5.033285 6.164616 5.305758 6.854160 3.996215 2.663250 5.000516 2.719850 1.092910 5.022155 4.043845 2.140996 4.725860 5.370572 3.895913 6.081290 6.815010 6.057291 8.739160 5.994205 2.210393 4.652946 1.786854 0.000000 4.868588 5.250269 5.782300 4.871842 7.834453 5.193593 10.105922 11.645372 5.942300 7.217661 9.448837 8.437002 10.731290 3.388594 3.902858 2.145542 3.410735 6.138213 1.082457 2.158664 7.518804 5.961780 8.350145 9.230325 9.690260 10.541743 9.255182 12.902229 2.481581 4.293524 6.808180 6.199384 6.031876 0.000000 5.621076 4.564111 6.274642 6.220322 6.854506 5.852861 9.966425 11.410926 6.376232 7.400493 9.370450 8.443082 10.542069 3.844303 3.392974 3.385299 2.136835 4.873946 2.150492 1.083865 6.370065 6.387201 8.370625 8.275350 9.576346 10.369298 9.192007 12.593734 4.289153 2.447904 7.029403 4.746646 4.539336 2.488147 0.000000 6.013691 3.326122 5.673973 7.464033 2.079165 6.631364 5.348660 7.247830 5.477276 5.848201 6.190630 5.101359 6.000459 5.682771 4.496551 6.928163 4.920779 2.120376 7.198402 6.309772 1.098159 5.895226 5.561401 2.605220 5.330557 6.336229 5.073461 7.829069 7.826023 4.406216 5.008521 2.384800 2.527306 8.255699 6.842451 0.000000 4.675183 2.574076 4.116713 6.118746 2.078648 5.824923 4.025454 6.817003 4.197397 5.038613 5.564225 3.904797 5.156919 4.773787 3.899335 6.131253 4.769820 2.152326 6.707055 6.117098 1.097904 4.933197 4.683198 2.659486 4.193199 5.697709 3.452334 7.424850 6.882460 4.629163 3.588711 2.547656 3.052985 7.787384 6.872621 1.780304 0.000000 4.720041 4.926373 5.687948 5.145068 4.434956 2.415246 5.479088 4.549908 3.227757 1.014191 2.418425 3.226469 4.574937 5.106602 5.245178 5.876664 6.142003 5.605735 6.680425 6.790562 5.551126 2.021139 2.036362 4.955276 4.282880 3.748794 5.807939 5.960921 6.108471 6.584493 3.493852 6.664433 5.452509 7.442885 7.626357 6.449390 5.844285 0.000000 6.350990 4.786706 6.402214 7.515695 2.036622 5.815357 3.807431 3.689157 4.961776 3.976014 3.086772 3.182574 3.050064 6.631284 5.940699 7.900053 6.756951 4.426458 8.515969 8.000452 3.286969 4.860289 3.136807 1.090020 3.075483 2.990130 4.513404 4.367768 8.534750 6.608947 4.337388 5.340550 4.484599 9.539902 8.715431 3.610035 3.614872 4.364943 0.000000 7.008095 4.845345 6.819609 8.340780 2.085991 6.944914 4.573244 5.295273 5.917037 5.432936 4.856845 4.487341 4.443229 7.049304 6.084493 8.347399 6.704009 4.014745 8.794139 8.052307 2.676433 6.043933 4.729833 1.097394 4.298907 4.672304 4.995226 5.694940 9.122169 6.314171 5.269403 4.666513 4.128102 9.849372 8.650951 2.441630 3.106274 5.888588 1.783441 0.000000 5.964930 4.400576 5.611398 7.242353 2.089282 6.309724 2.823260 4.737135 4.839495 4.674349 4.126326 3.107186 3.204251 6.414730 5.718675 7.786595 6.657340 4.037828 8.485416 7.979995 2.620827 5.227257 3.755577 1.096094 2.749645 3.812390 3.244835 5.129011 8.419810 6.521227 4.001086 4.732507 4.505459 9.555282 8.751644 2.927948 2.440120 5.357633 1.786521 1.781525 0.000000 5.459227 5.466858 4.451002 6.420783 5.057276 7.130486 2.023614 6.565309 4.914102 5.923384 5.843964 3.721978 4.267844 6.663899 6.564868 7.959061 7.824001 5.840761 9.014681 8.941652 4.903003 5.977186 5.052274 4.778576 3.236036 5.431737 1.087139 6.741595 8.252959 8.058661 3.947601 6.201468 6.757903 10.008760 9.898431 5.488618 3.909709 6.890528 5.246515 5.479482 3.766367 0.000000 4.078480 4.829139 3.334281 4.856505 4.872457 5.646729 2.096583 6.116292 3.445069 4.613042 4.944897 2.666635 3.960813 5.528401 5.728128 6.742941 7.095341 5.589156 7.927817 8.066035 4.953167 4.525612 3.949963 4.912817 2.713080 4.857917 1.089947 6.611967 6.895397 7.532357 2.555564 6.124035 6.416813 8.867771 9.094803 5.812413 4.116267 5.599920 5.168970 5.850874 4.129633 1.788094 0.000000 4.195379 3.747653 3.402812 5.382661 3.430548 5.668622 2.096021 6.036939 3.526674 4.572871 4.871993 2.648300 3.918690 5.155454 4.909283 6.514064 6.153871 4.143571 7.485755 7.318257 3.295723 4.543282 3.899246 3.497157 2.686092 4.789773 1.090354 6.537040 6.941393 6.370957 2.571752 4.639303 5.019957 8.517029 8.260458 4.066595 2.388023 5.545823 4.044967 4.322291 2.704119 1.789124 1.792513 0.000000 9.928439 9.461993 10.092501 10.606243 7.081622 8.787092 5.873824 2.020355 8.278701 6.548991 4.251656 5.843048 3.750437 10.736096 10.476608 11.874668 11.447902 9.438352 12.723985 12.518858 8.317805 7.887881 5.430061 6.043244 5.075069 3.242448 7.288843 1.087531 12.191810 11.484840 7.657570 10.389132 9.476029 13.641838 13.307982 8.638182 8.364319 6.514094 5.112739 6.410996 6.052967 7.828241 7.675377 7.591713 0.000000 9.057611 8.915787 9.063572 9.689006 6.805198 8.359268 4.575322 2.095120 7.485004 6.123409 3.953340 4.939887 2.693645 10.097130 9.964399 11.275263 11.081160 9.053844 12.258092 12.159653 7.900587 7.335952 4.856784 5.787576 3.974026 2.715813 6.008049 1.089877 11.515112 11.216745 6.761300 9.957909 9.286960 13.192178 13.037735 8.333376 7.721866 6.324954 5.017337 6.333745 5.498394 6.462225 6.327081 6.509651 1.787916 0.000000 9.071582 8.344741 9.033906 9.926837 5.855251 8.378935 4.543822 2.094318 7.501427 6.118733 3.944224 4.929306 2.693571 9.862631 9.483455 11.106055 10.472054 8.208608 11.945099 11.646433 6.952083 7.348361 4.848165 4.654616 3.958044 2.711077 5.955030 1.089999 11.508489 10.442709 6.741722 9.077713 8.364854 12.927881 12.441086 7.195394 6.911931 6.321692 3.893659 4.966786 4.514264 6.397266 6.524645 6.205905 1.788190 1.790830 0.000000 C15H19N5O7S 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 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2082,-1.3742,.9937;-1.8494,1.4638,.241;-1.9651,-.7906,2.3182;-2.6704,-2.7624,.9245;.7873,2.4233,-.4764;-1.3445,-1.8965,-1.8545;2.9955,.0655,2.3164;5.2799,-.493,-1.5718;-.6996,-1.2622,.2508;.8219,-1.3026,-1.5297;3.0808,-.8835,-1.5653;1.86,-.6336,.4531;4.1952,-.2293,.441;-3.3234,-.3669,.0411;-3.0363,.9929,-.1974;-4.5086,-.9525,-.4028;-3.9901,1.7554,-.8805;-1.5155,2.8501,.0013;-5.4417,-.182,-1.0853;-5.1757,1.1674,-1.3135;-.0928,3.0717,.4386;-.4778,-1.5115,-1.0806;1.9609,-.9234,-.8492;2.1576,2.6905,-.1853;3.0004,-.278,1.0359;4.1617,-.5294,-.855;1.7215,.0902,3.0144;6.5179,-.1112,-.9223;-4.691,-2.0019,-.2148;-3.8123,2.8035,-1.0737;.0649,-.8427,.7996;-2.1899,3.4885,.5784;-1.6186,3.0746,-1.0633;-6.3638,-.6311,-1.4316;-5.8993,1.779,-1.8399;.0966,4.1533,.4471;.0637,2.6858,1.4545;.947,-1.5126,-2.514;2.7575,2.1103,-.8864;2.3829,3.7569,-.3127;2.4083,2.4001,.8415;1.9636,.4276,4.0191;1.2873,-.9092,3.0429;1.0406,.7906,2.53;7.2669,-.1541,-1.7096;6.7624,-.8149,-.1267;6.441,.9011,-.5256; 0.3135691 0.1063455 0.1000682 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= 738 RedAO= T EigKep= 1.99D-06 NBF= 738 NBsUse= 736 1.00D-06 EigRej= 8.59D-07 NBFU= 736 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= 757 757 757 757 757 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1782.01857767470 -1782.01857767 1 1.776106931915e+03 -1.038057579162e+04 3.723367767489e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323432871 LenY= 11322845349 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 4.5469 272.68 0.0850 0.000 106 112 0.14224 108 109 0.66248 108 110 -0.16983 -1781.85148313 2 Singlet-A 4.7981 258.40 0.0220 0.000 108 109 0.19728 108 110 0.66457 3 Singlet-A 5.1880 238.98 0.0004 0.000 107 109 0.65320 107 110 0.25568 4 Singlet-A 5.3388 232.23 0.0196 0.000 106 109 -0.17118 107 110 -0.10789 107 111 0.10224 108 111 0.64447 5 Singlet-A 5.3911 229.98 0.1598 0.000 106 109 0.50925 107 110 0.26317 108 111 0.25969 108 112 -0.22586 6 Singlet-A 5.4315 228.27 0.0757 0.000 106 109 -0.28795 107 109 -0.22479 107 110 0.58365 7 Singlet-A 5.5261 224.36 0.0276 0.000 102 109 -0.16781 102 110 -0.15360 103 109 0.42148 103 110 0.37109 104 109 0.15100 104 110 0.13720 105 109 -0.19078 105 110 -0.10751 105 111 -0.12664 8 Singlet-A 5.5423 223.70 0.0809 0.000 103 109 0.18054 103 110 0.15921 104 109 -0.18676 104 110 -0.18162 104 111 0.11952 105 109 0.29599 105 111 0.21279 106 110 0.25423 106 111 0.13634 107 111 -0.10402 108 112 0.29117 9 Singlet-A 5.6207 220.59 0.0237 0.000 102 109 0.39184 102 110 0.36396 103 111 -0.10703 106 110 0.30674 108 112 0.17992 10 Singlet-A 5.6706 218.65 0.1168 0.000 102 109 -0.26553 102 110 -0.21024 103 109 -0.21395 103 110 -0.19826 104 109 0.16301 104 110 0.13005 105 111 -0.12651 106 109 0.16449 106 110 0.33780 108 112 0.23315 PT26993.500S 2022-03-17T00:19:44.000 -89.09995 -19.18766 -19.18442 -19.17397 -19.14510 -19.14417 -19.13440 -19.12697 -14.38132 -14.37364 -14.33706 -14.33183 -14.33085 -10.34781 -10.33068 -10.32720 -10.32089 -10.26859 -10.23043 -10.22538 -10.22342 -10.22209 -10.21970 -10.20587 -10.20180 -10.19408 -10.18818 -10.18315 -8.16053 -6.12392 -6.12291 -6.12123 -1.15147 -1.12555 -1.11108 -1.09413 -1.09143 -1.04049 -1.03946 -1.03657 -0.97671 -0.94890 -0.91806 -0.90760 -0.88322 -0.80112 -0.78621 -0.75756 -0.75130 -0.74494 -0.72100 -0.69803 -0.68580 -0.66181 -0.64373 -0.64136 -0.61549 -0.60762 -0.60039 -0.58706 -0.57283 -0.55505 -0.53951 -0.53018 -0.52544 -0.51931 -0.51222 -0.50839 -0.50308 -0.48773 -0.48603 -0.48353 -0.47829 -0.47105 -0.46514 -0.46306 -0.45835 -0.45126 -0.44734 -0.44153 -0.43856 -0.41657 -0.40930 -0.40386 -0.39591 -0.39139 -0.38774 -0.38428 -0.37958 -0.37506 -0.37289 -0.36903 -0.36218 -0.35640 -0.34432 -0.34204 -0.33767 -0.33278 -0.31938 -0.31585 -0.31342 -0.30713 -0.30183 -0.29634 -0.28790 -0.27984 -0.27140 -0.24813 -0.05780 -0.05039 -0.03573 -0.02069 0.00036 0.00789 0.00988 0.01583 0.01803 0.01935 0.02850 0.03012 0.03200 0.03564 0.03790 0.04218 0.04352 0.04785 0.04907 0.05462 0.06000 0.06084 0.06484 0.06823 0.07078 0.07430 0.07602 0.07983 0.08317 0.08368 0.08656 0.08827 0.09173 0.09441 0.10052 0.10355 0.10554 0.10990 0.11250 0.11435 0.11478 0.11982 0.12294 0.12376 0.12980 0.13374 0.13567 0.14043 0.14304 0.14408 0.14641 0.14684 0.15139 0.15242 0.15815 0.16154 0.16452 0.16562 0.16770 0.16916 0.17535 0.18079 0.18140 0.18281 0.18624 0.18709 0.19058 0.19241 0.19733 0.19849 0.20143 0.20357 0.20537 0.20808 0.21048 0.21373 0.21612 0.21859 0.21918 0.22018 0.22345 0.22744 0.23090 0.23154 0.23507 0.23679 0.24017 0.24172 0.24265 0.24706 0.24806 0.24987 0.25269 0.25474 0.25748 0.26040 0.26290 0.26507 0.26622 0.27025 0.27355 0.27640 0.27948 0.28225 0.28406 0.28534 0.28798 0.29004 0.29359 0.29879 0.30048 0.30479 0.30682 0.31151 0.31300 0.31473 0.31712 0.31860 0.32194 0.32368 0.32687 0.32870 0.33416 0.33597 0.33978 0.34428 0.34678 0.34880 0.35301 0.35462 0.35776 0.36338 0.36639 0.36867 0.37147 0.37486 0.37755 0.38097 0.38176 0.38469 0.38779 0.39440 0.40106 0.40422 0.40926 0.41505 0.41774 0.42948 0.43324 0.43799 0.44217 0.44512 0.45050 0.45243 0.45807 0.46480 0.47099 0.47203 0.48185 0.48326 0.49370 0.49821 0.50264 0.50615 0.51460 0.52363 0.52633 0.53322 0.53529 0.53829 0.54885 0.55268 0.55617 0.55814 0.56266 0.57139 0.57305 0.57600 0.58173 0.59124 0.59560 0.60069 0.60750 0.60940 0.61506 0.61940 0.62243 0.62646 0.63363 0.63546 0.64453 0.64890 0.65418 0.66422 0.66818 0.67376 0.67701 0.68532 0.69014 0.69153 0.69774 0.70811 0.71299 0.71667 0.72364 0.72755 0.73061 0.73310 0.73969 0.74467 0.74559 0.75283 0.75899 0.76195 0.77043 0.77364 0.77838 0.78822 0.79235 0.79813 0.80590 0.81105 0.81423 0.82232 0.83472 0.84232 0.84651 0.85217 0.85937 0.86570 0.87023 0.88715 0.89591 0.89819 0.90196 0.90690 0.91731 0.92677 0.93567 0.94136 0.94724 0.95040 0.95320 0.95777 0.96554 0.96816 0.97580 0.98180 0.98356 0.99521 0.99967 1.00414 1.00838 1.01826 1.02315 1.02879 1.03587 1.04037 1.04244 1.04878 1.05615 1.06187 1.07240 1.07653 1.08169 1.08612 1.09705 1.10338 1.10483 1.10847 1.11418 1.13161 1.13533 1.14175 1.14896 1.15138 1.15889 1.16241 1.17107 1.17971 1.18535 1.19848 1.20333 1.20620 1.22097 1.22847 1.23186 1.23876 1.24818 1.25485 1.26342 1.27213 1.27670 1.28347 1.28782 1.30093 1.30879 1.31390 1.32086 1.32965 1.33153 1.34298 1.35085 1.35974 1.36778 1.37642 1.38124 1.38551 1.40085 1.40508 1.41097 1.43044 1.43523 1.44675 1.47076 1.48753 1.49634 1.50717 1.51366 1.52214 1.52997 1.54268 1.54374 1.54933 1.55608 1.55971 1.56649 1.56930 1.57579 1.57807 1.58551 1.59060 1.60333 1.60518 1.61407 1.62111 1.62647 1.62988 1.63997 1.65378 1.65601 1.65996 1.66990 1.67368 1.67735 1.68444 1.69137 1.70312 1.71097 1.71235 1.72130 1.72412 1.72797 1.73536 1.73917 1.74361 1.74674 1.75796 1.76308 1.76925 1.78096 1.78232 1.78920 1.79243 1.80392 1.81316 1.82805 1.83607 1.84093 1.85288 1.86354 1.87507 1.87888 1.89196 1.89629 1.90274 1.90704 1.91824 1.92625 1.93363 1.94087 1.95562 1.96873 1.98075 1.99313 1.99956 2.00974 2.01930 2.02912 2.04204 2.04591 2.05252 2.05833 2.06996 2.09716 2.10879 2.11538 2.11544 2.12957 2.13834 2.14304 2.15804 2.16548 2.17855 2.19399 2.19557 2.20367 2.21925 2.22258 2.24010 2.25070 2.25440 2.27154 2.27620 2.27889 2.29692 2.30447 2.31768 2.33752 2.34910 2.36310 2.37415 2.40571 2.42998 2.43734 2.44466 2.45457 2.46256 2.49210 2.49889 2.50579 2.51285 2.51836 2.52209 2.53264 2.53442 2.53871 2.54767 2.56084 2.56930 2.57416 2.57668 2.58546 2.59674 2.60440 2.61527 2.63808 2.65852 2.66489 2.66841 2.69084 2.69532 2.70286 2.71386 2.72228 2.72622 2.72999 2.73773 2.74213 2.74637 2.75272 2.76734 2.77348 2.78108 2.78979 2.80121 2.80469 2.80937 2.81403 2.81869 2.82128 2.82547 2.83201 2.84007 2.84840 2.85363 2.85946 2.86440 2.86746 2.87621 2.88489 2.89541 2.90184 2.90444 2.91079 2.92404 2.94021 2.94576 2.95193 2.95738 2.97067 2.99026 3.01727 3.02150 3.02500 3.04524 3.04811 3.06053 3.06955 3.07775 3.09197 3.11159 3.11542 3.13302 3.13740 3.15934 3.17819 3.20155 3.20588 3.21313 3.22364 3.23960 3.25379 3.25440 3.25882 3.27697 3.31751 3.33324 3.33512 3.35479 3.37001 3.37622 3.39023 3.40123 3.42229 3.47116 3.50008 3.53438 3.54497 3.55184 3.57509 3.60021 3.63721 3.66683 3.67382 3.70306 3.74480 3.78314 3.78556 3.79907 3.80631 3.81725 3.82118 3.82770 3.84333 3.86167 3.91130 3.93782 3.94794 3.96855 3.99213 3.99852 4.01155 4.02576 4.02915 4.03442 4.07092 4.09092 4.10706 4.10893 4.15508 4.18673 4.23713 4.31215 4.37897 4.38745 4.47700 4.54246 4.68375 4.77300 4.83447 4.93697 4.98669 5.01393 5.03201 5.04209 5.07203 5.08346 5.09108 5.10487 5.11929 5.14776 5.15485 5.21406 5.26739 5.30802 5.32359 5.39012 5.41214 5.43058 5.47482 5.67631 5.76630 5.81637 5.83167 5.86243 8.20667 17.37934 17.43270 17.57239 23.58669 23.81699 23.84303 23.86841 23.88428 23.89521 23.90640 23.92256 23.93023 23.93881 23.94345 23.94444 24.03699 24.08019 24.17814 35.53327 35.58543 35.64138 35.71660 35.72346 49.88201 49.93398 49.93591 49.94242 49.97852 49.98507 50.02566 189.32124 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 S O O O O O O O N N N N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.890922 -0.096970 -0.364487 -0.142930 -0.207654 -0.337906 -0.170221 -0.119994 -0.488351 -0.473371 -0.311253 -0.181297 -0.148829 -0.291409 0.288308 -0.077976 -0.088943 -0.056211 -0.491191 -0.496229 -0.451081 0.226352 -0.113545 -0.298341 0.130721 0.261255 -0.277588 -0.180367 0.196715 0.191877 0.464307 0.208959 0.208029 0.173944 0.181647 0.189922 0.178751 0.422755 0.174197 0.161194 0.162978 0.195104 0.194296 0.194841 0.193923 0.187257 0.187888 -0.00000 3.4603 10.6716 -0.0775 11.2188 -138.4047 -162.5127 -181.1706 -18.9530 13.2143 0.9924 22.2913 -1.8167 -20.4746 -18.9530 13.2143 0.9924 62.3921 123.9961 31.1724 22.8986 71.0587 -85.7303 19.0037 24.6305 3.5908 0.3375 -8256.9784 -2463.3306 -1770.2197 -37.1656 92.3746 -176.7283 23.8736 80.4998 12.4674 -2120.3196 -2218.9951 -758.4083 -96.5760 50.3799 -43.2926 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTILLA APULGAR 2022-03-17T00:00:00.000 0 Electronic spectrum cinosulfuron CONF90 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1782.0185777 RMSD=3.157e-09 PG=C01 [X(C15H19N5O7S1)] 0 -2.2574023054 -1.5314944033 -0.2656107018 0 -1.7223696182 0.9720807567 1.2160964177 0 -2.0150240758 -2.0783377562 1.0746629687 0 -2.7944765692 -2.4287853157 -1.2912642093 0 0.9806643909 2.0048711107 1.3357095413 0 -1.3538935448 0.0790384997 -2.6574541935 0 2.9841655961 -1.7589292109 1.5716509304 0 5.329464167 0.4851818303 -1.6083084555 0 -0.7270245923 -1.0103406279 -0.7415626975 0 0.8335482231 0.1411808849 -2.055195453 0 3.1124362104 0.3318779425 -1.8324053784 0 1.8579446392 -0.8590978499 -0.2093915096 0 4.2116393483 -0.6998180752 0.017592633 0 -3.2907243951 -0.0848525259 -0.1935939019 0 -2.9225014661 1.021322452 0.5996809011 0 -4.4954256449 -0.1121512915 -0.8954483387 0 -3.8150700499 2.0955370317 0.6833830948 0 -1.3058099432 2.0949504544 2.0263002092 0 -5.3669379392 0.9660425145 -0.8061636748 0 -5.0205093577 2.0588259928 -0.0126586789 0 0.1157087681 1.8584082233 2.4593760199 0 -0.4865260714 -0.2507813319 -1.8591638871 0 1.9747202203 -0.1417583965 -1.3327530059 0 2.3560876656 1.9072081797 1.6997557142 0 3.0015810389 -1.0892121383 0.4275971774 0 4.1935259152 0.0134405186 -1.1056180762 0 1.6965851823 -2.1656399623 2.1079716734 0 6.5703398259 0.2204903006 -0.9080337945 0 -4.740651656 -0.9709167948 -1.5057353437 0 -3.5743702285 2.9572792196 1.2891716614 0 0.0459485745 -1.1501112483 -0.0746422524 0 -1.9576410495 2.1701735394 2.9008701267 0 -1.3699116841 3.0152462189 1.4402973125 0 -6.3037183965 0.9500928403 -1.34829116 0 -5.695590676 2.9028755879 0.0686403323 0 0.3649211152 2.5995071539 3.2304908705 0 0.2252923548 0.8566584453 2.8951315114 0 0.9710970148 0.6869379323 -2.898885642 0 2.9399183002 1.9652639115 0.7811075015 0 2.643635824 2.7323187599 2.3636706981 0 2.5647102261 0.959277145 2.2089965656 0 1.9321520112 -2.6574480839 3.0484530872 0 1.2067855157 -2.8614825675 1.4268821409 0 1.0679854949 -1.2916963331 2.2810534798 0 7.3350278366 0.7078316159 -1.5084293924 0 6.7554492083 -0.8522448312 -0.8550581766 0 6.5401762613 0.6520854825 0.0924230229 Gaussian 16 17-Mar-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C15H19N5O7S)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2574,-1.5315,-.2656;-1.7224,.9721,1.2161;-2.015,-2.0783,1.0747;-2.7945,-2.4288,-1.2913;.9807,2.0049,1.3357;-1.3539,.079,-2.6575;2.9842,-1.7589,1.5717;5.3295,.4852,-1.6083;-.727,-1.0103,-.7416;.8335,.1412,-2.0552;3.1124,.3319,-1.8324;1.8579,-.8591,-.2094;4.2116,-.6998,.0176;-3.2907,-.0849,-.1936;-2.9225,1.0213,.5997;-4.4954,-.1122,-.8954;-3.8151,2.0955,.6834;-1.3058,2.0949,2.0263;-5.3669,.966,-.8062;-5.0205,2.0588,-.0127;.1157,1.8584,2.4594;-.4865,-.2508,-1.8592;1.9747,-.1418,-1.3328;2.3561,1.9072,1.6998;3.0016,-1.0892,.4276;4.1935,.0134,-1.1056;1.6966,-2.1656,2.108;6.5703,.2205,-.908;-4.7407,-.9709,-1.5057;-3.5744,2.9573,1.2892;.0459,-1.1501,-.0746;-1.9576,2.1702,2.9009;-1.3699,3.0152,1.4403;-6.3037,.9501,-1.3483;-5.6956,2.9029,.0686;.3649,2.5995,3.2305;.2253,.8567,2.8951;.9711,.6869,-2.8989;2.9399,1.9653,.7811;2.6436,2.7323,2.3637;2.5647,.9593,2.209;1.9322,-2.6574,3.0485;1.2068,-2.8615,1.4269;1.068,-1.2917,2.2811;7.335,.7078,-1.5084;6.7554,-.8522,-.8551;6.5402,.6521,.0924; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sul #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point cinosulfuron CONF90 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 32 16 16 16 16 16 16 16 14 14 14 14 14 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 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 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 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 0 2 2 2 2 2 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 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 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 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 1439 A 1271 A 1271 1847 1439 108 108 3099.1287034986 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0580818720 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.957973 0.000000 1.467692 3.067687 0.000000 1.464768 4.359147 2.515546 0.000000 5.055213 2.896093 5.070985 6.388270 0.000000 3.021764 3.992204 4.361200 3.198583 5.010424 0.000000 5.558893 5.453101 5.033976 6.483648 4.270349 6.331051 0.000000 7.964318 7.612010 8.228698 8.636558 5.467061 6.777384 4.544073 0.000000 1.685286 2.958570 2.469461 2.566810 4.040144 2.291365 4.436696 6.298325 0.000000 3.943911 4.233729 4.778770 4.511195 3.872108 2.269687 4.624888 4.531148 2.342439 0.000000 5.895945 5.751397 6.367969 6.542608 4.168970 4.548927 3.996940 2.233592 4.211051 2.297680 0.000000 4.170295 4.266601 4.258548 5.027861 3.370353 4.145964 2.291328 3.976871 2.643510 2.336009 2.371992 0.000000 6.528429 6.280455 6.464445 7.334037 4.414972 6.223958 2.245775 2.301589 5.006310 4.051571 2.386449 2.369973 0.000000 1.779245 2.358828 2.685120 2.635368 4.995045 3.138277 6.729998 8.754085 2.780172 4.530593 6.622676 5.206582 7.530488 0.000000 2.776321 1.350078 3.264509 3.936408 4.091920 3.735955 6.600246 8.559065 3.278217 4.683047 6.543000 5.200312 7.361869 1.410140 0.000000 2.723964 3.650208 3.728219 2.901153 6.280717 3.606999 8.046287 9.868811 3.877018 5.459593 7.678191 6.433810 8.774507 1.394507 2.448319 0.000000 4.059837 2.434201 4.562291 5.040867 4.840746 4.613551 7.866100 9.563870 4.605754 5.738377 7.578260 6.458329 8.525570 2.407930 1.399150 2.798121 0.000000 4.394256 1.445956 4.338771 5.804011 2.390187 5.099389 5.784720 7.734895 4.199868 5.005265 6.125270 4.871762 6.502913 3.690441 2.408653 4.856085 2.846017 0.000000 4.024811 4.168027 4.903171 4.286926 6.779295 4.507613 9.100572 10.737210 5.043715 6.378597 8.564761 7.475708 9.757193 2.406301 2.820412 1.389247 2.429568 5.078390 0.000000 4.537526 3.683555 5.227938 5.169982 6.151024 4.935441 9.008891 10.589826 5.327767 6.489939 8.511089 7.474364 9.635538 2.760480 2.419300 2.401702 1.392446 4.237647 1.394216 0.000000 4.954659 2.389530 4.685661 6.396601 1.425562 5.613184 4.701195 6.753892 4.380174 4.883187 5.452528 4.188382 5.411421 4.734797 3.659221 6.033284 4.319885 1.504733 6.443561 5.703671 0.000000 2.704744 3.532694 3.779366 3.223794 4.177060 1.224081 5.107906 5.867735 1.372517 1.390920 3.645921 2.930587 5.079036 3.265759 3.687566 4.125438 4.800933 4.611997 5.138861 5.413028 4.843672 0.000000 4.580504 4.626634 5.046192 5.289372 3.566070 3.589325 3.474159 3.423929 2.898856 1.379946 1.329805 1.337966 2.671829 5.387562 5.391645 6.484975 6.526252 5.200768 7.443417 7.451071 4.672990 2.519271 0.000000 6.080430 4.212150 5.948272 7.367181 1.426134 6.007615 3.721754 4.669734 4.896704 4.420027 3.940798 3.397858 3.615153 6.280093 5.464290 7.599745 6.257129 3.681219 8.173772 7.574268 2.366158 5.040167 3.679649 0.000000 5.322880 5.214055 5.153968 6.192191 3.805539 5.463745 1.325776 3.470255 3.908408 3.518308 2.671965 1.329139 1.335654 6.402166 6.291162 7.675298 7.528266 5.590023 8.705076 8.628899 4.598353 4.254308 2.247431 3.318672 0.000000 6.686323 6.427065 6.904727 7.404803 4.499817 5.760760 3.430979 1.328756 5.039095 3.493918 1.341036 2.649431 1.330665 7.540255 7.386590 8.692400 8.466006 6.662154 9.612471 9.501400 5.722035 4.747687 2.235794 3.851319 2.233232 0.000000 4.655110 4.725461 3.853750 5.638589 4.301406 6.087141 1.452899 5.833987 3.915156 4.837170 4.875326 2.665194 3.583827 5.873682 5.810992 7.181807 7.110937 5.212838 8.257904 8.213559 4.337697 4.916383 4.001505 4.146043 2.384401 4.616304 0.000000 9.022815 8.593361 9.106271 9.739883 6.281948 8.116277 4.788276 1.449213 7.402309 5.850901 3.581057 4.884699 2.695778 9.891625 9.645132 11.070771 10.672635 8.611484 11.960971 11.769833 7.462204 7.136253 4.629398 5.235027 4.029301 2.393983 6.208332 0.000000 2.831728 4.504846 3.913296 2.441101 7.047168 3.728135 8.352489 10.175361 4.085917 5.710549 7.967118 6.725659 9.085017 2.146885 3.421617 1.081695 3.879701 5.802840 2.152544 3.389239 6.878330 4.329098 6.768578 8.301957 7.980848 8.997143 7.478252 11.389259 0.000000 4.929588 2.715927 5.275890 6.023004 4.653771 5.365691 8.083119 9.684262 5.288976 6.208458 7.832647 6.805914 8.695586 3.396118 2.155982 3.878442 1.080516 2.536402 3.401287 2.143198 4.024125 5.453297 6.875386 6.036684 7.769140 8.645312 7.395790 10.734657 4.960085 0.000000 2.342509 3.049042 2.535767 3.344128 3.580042 3.184538 3.422581 5.739499 1.030440 2.492055 3.832671 1.840156 4.190973 3.504613 3.739189 4.730239 5.100618 4.095319 5.857693 5.997509 3.934121 2.068052 2.513917 4.222847 2.998619 4.429352 2.918853 6.718688 4.999168 5.642460 0.000000 4.880451 2.080683 4.624735 6.278910 3.333270 5.969282 6.451831 8.733487 4.989730 6.039051 7.175577 5.780044 7.389869 4.054376 2.747050 5.105036 2.893590 1.093350 5.178353 4.228736 2.142637 5.539235 6.223509 4.485541 6.429196 7.651163 5.725499 9.541251 6.085209 2.414730 4.887979 0.000000 4.936660 2.085430 5.147277 6.255261 2.560665 5.041145 6.462816 7.783114 4.623761 5.033285 6.164616 5.305758 6.854160 3.996215 2.663250 5.000516 2.719850 1.092910 5.022155 4.043845 2.140996 4.725860 5.370572 3.895913 6.081290 6.815010 6.057291 8.739160 5.994205 2.210393 4.652946 1.786854 0.000000 4.868588 5.250269 5.782300 4.871842 7.834453 5.193593 10.105922 11.645372 5.942300 7.217661 9.448837 8.437002 10.731290 3.388594 3.902858 2.145542 3.410735 6.138213 1.082457 2.158664 7.518804 5.961780 8.350145 9.230325 9.690260 10.541743 9.255182 12.902229 2.481581 4.293524 6.808180 6.199384 6.031876 0.000000 5.621076 4.564111 6.274642 6.220322 6.854506 5.852861 9.966425 11.410926 6.376232 7.400493 9.370450 8.443082 10.542069 3.844303 3.392974 3.385299 2.136835 4.873946 2.150492 1.083865 6.370065 6.387201 8.370625 8.275350 9.576346 10.369298 9.192007 12.593734 4.289153 2.447904 7.029403 4.746646 4.539336 2.488147 0.000000 6.013691 3.326122 5.673973 7.464033 2.079165 6.631364 5.348660 7.247830 5.477276 5.848201 6.190630 5.101359 6.000459 5.682771 4.496551 6.928163 4.920779 2.120376 7.198402 6.309772 1.098159 5.895226 5.561401 2.605220 5.330557 6.336229 5.073461 7.829069 7.826023 4.406216 5.008521 2.384800 2.527306 8.255699 6.842451 0.000000 4.675183 2.574076 4.116713 6.118746 2.078648 5.824923 4.025454 6.817003 4.197397 5.038613 5.564225 3.904797 5.156919 4.773787 3.899335 6.131253 4.769820 2.152326 6.707055 6.117098 1.097904 4.933197 4.683198 2.659486 4.193199 5.697709 3.452334 7.424850 6.882460 4.629163 3.588711 2.547656 3.052985 7.787384 6.872621 1.780304 0.000000 4.720041 4.926373 5.687948 5.145068 4.434956 2.415246 5.479088 4.549908 3.227757 1.014191 2.418425 3.226469 4.574937 5.106602 5.245178 5.876664 6.142003 5.605735 6.680425 6.790562 5.551126 2.021139 2.036362 4.955276 4.282880 3.748794 5.807939 5.960921 6.108471 6.584493 3.493852 6.664433 5.452509 7.442885 7.626357 6.449390 5.844285 0.000000 6.350990 4.786706 6.402214 7.515695 2.036622 5.815357 3.807431 3.689157 4.961776 3.976014 3.086772 3.182574 3.050064 6.631284 5.940699 7.900053 6.756951 4.426458 8.515969 8.000452 3.286969 4.860289 3.136807 1.090020 3.075483 2.990130 4.513404 4.367768 8.534750 6.608947 4.337388 5.340550 4.484599 9.539902 8.715431 3.610035 3.614872 4.364943 0.000000 7.008095 4.845345 6.819609 8.340780 2.085991 6.944914 4.573244 5.295273 5.917037 5.432936 4.856845 4.487341 4.443229 7.049304 6.084493 8.347399 6.704009 4.014745 8.794139 8.052307 2.676433 6.043933 4.729833 1.097394 4.298907 4.672304 4.995226 5.694940 9.122169 6.314171 5.269403 4.666513 4.128102 9.849372 8.650951 2.441630 3.106274 5.888588 1.783441 0.000000 5.964930 4.400576 5.611398 7.242353 2.089282 6.309724 2.823260 4.737135 4.839495 4.674349 4.126326 3.107186 3.204251 6.414730 5.718675 7.786595 6.657340 4.037828 8.485416 7.979995 2.620827 5.227257 3.755577 1.096094 2.749645 3.812390 3.244835 5.129011 8.419810 6.521227 4.001086 4.732507 4.505459 9.555282 8.751644 2.927948 2.440120 5.357633 1.786521 1.781525 0.000000 5.459227 5.466858 4.451002 6.420783 5.057276 7.130486 2.023614 6.565309 4.914102 5.923384 5.843964 3.721978 4.267844 6.663899 6.564868 7.959061 7.824001 5.840761 9.014681 8.941652 4.903003 5.977186 5.052274 4.778576 3.236036 5.431737 1.087139 6.741595 8.252959 8.058661 3.947601 6.201468 6.757903 10.008760 9.898431 5.488618 3.909709 6.890528 5.246515 5.479482 3.766367 0.000000 4.078480 4.829139 3.334281 4.856505 4.872457 5.646729 2.096583 6.116292 3.445069 4.613042 4.944897 2.666635 3.960813 5.528401 5.728128 6.742941 7.095341 5.589156 7.927817 8.066035 4.953167 4.525612 3.949963 4.912817 2.713080 4.857917 1.089947 6.611967 6.895397 7.532357 2.555564 6.124035 6.416813 8.867771 9.094803 5.812413 4.116267 5.599920 5.168970 5.850874 4.129633 1.788094 0.000000 4.195379 3.747653 3.402812 5.382661 3.430548 5.668622 2.096021 6.036939 3.526674 4.572871 4.871993 2.648300 3.918690 5.155454 4.909283 6.514064 6.153871 4.143571 7.485755 7.318257 3.295723 4.543282 3.899246 3.497157 2.686092 4.789773 1.090354 6.537040 6.941393 6.370957 2.571752 4.639303 5.019957 8.517029 8.260458 4.066595 2.388023 5.545823 4.044967 4.322291 2.704119 1.789124 1.792513 0.000000 9.928439 9.461993 10.092501 10.606243 7.081622 8.787092 5.873824 2.020355 8.278701 6.548991 4.251656 5.843048 3.750437 10.736096 10.476608 11.874668 11.447902 9.438352 12.723985 12.518858 8.317805 7.887881 5.430061 6.043244 5.075069 3.242448 7.288843 1.087531 12.191810 11.484840 7.657570 10.389132 9.476029 13.641838 13.307982 8.638182 8.364319 6.514094 5.112739 6.410996 6.052967 7.828241 7.675377 7.591713 0.000000 9.057611 8.915787 9.063572 9.689006 6.805198 8.359268 4.575322 2.095120 7.485004 6.123409 3.953340 4.939887 2.693645 10.097130 9.964399 11.275263 11.081160 9.053844 12.258092 12.159653 7.900587 7.335952 4.856784 5.787576 3.974026 2.715813 6.008049 1.089877 11.515112 11.216745 6.761300 9.957909 9.286960 13.192178 13.037735 8.333376 7.721866 6.324954 5.017337 6.333745 5.498394 6.462225 6.327081 6.509651 1.787916 0.000000 9.071582 8.344741 9.033906 9.926837 5.855251 8.378935 4.543822 2.094318 7.501427 6.118733 3.944224 4.929306 2.693571 9.862631 9.483455 11.106055 10.472054 8.208608 11.945099 11.646433 6.952083 7.348361 4.848165 4.654616 3.958044 2.711077 5.955030 1.089999 11.508489 10.442709 6.741722 9.077713 8.364854 12.927881 12.441086 7.195394 6.911931 6.321692 3.893659 4.966786 4.514264 6.397266 6.524645 6.205905 1.788190 1.790830 0.000000 C15H19N5O7S 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 0 394.25479999999976 AuxInfo=1/0/N:24,27,28,20,19,17,16,21,18,15,14,23,22,25,26,10,12,11,13,9,6,3,4,5,7,8,2,1/E:(2,3)(14,15)(17,18)(22,23)(25,26)/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,17.2,18.2,19.2,21.1,22.1,23.1/rA:47nSOO1O1OO1OONNN2N2N2C3C3C3C3CC3C3CC3C3CC3C3CCHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;;;;;s1;;;;;s1;s2s14;s14;s15;s2;s16;s17s19;s5s18;s6s9s10;s10s11s12;s5;s7s12s13;s8s11s13;s7;s8;s16;s17;s9;s18;s18;s19;s20;s21;s21;s10;s24;s24;s24;s27;s27;s27;s28;s28;s28;/rC:-2.2082,-1.3742,.9937;-1.8494,1.4638,.241;-1.9651,-.7906,2.3182;-2.6704,-2.7624,.9245;.7873,2.4233,-.4764;-1.3445,-1.8965,-1.8545;2.9955,.0655,2.3164;5.2799,-.493,-1.5718;-.6996,-1.2622,.2508;.8219,-1.3026,-1.5297;3.0808,-.8835,-1.5653;1.86,-.6336,.4531;4.1952,-.2293,.441;-3.3234,-.3669,.0411;-3.0363,.9929,-.1974;-4.5086,-.9525,-.4028;-3.9901,1.7554,-.8805;-1.5155,2.8501,.0013;-5.4417,-.182,-1.0853;-5.1757,1.1674,-1.3135;-.0928,3.0717,.4386;-.4778,-1.5115,-1.0806;1.9609,-.9234,-.8492;2.1576,2.6905,-.1853;3.0004,-.278,1.0359;4.1617,-.5294,-.855;1.7215,.0902,3.0144;6.5179,-.1112,-.9223;-4.691,-2.0019,-.2148;-3.8123,2.8035,-1.0737;.0649,-.8427,.7996;-2.1899,3.4885,.5784;-1.6186,3.0746,-1.0633;-6.3638,-.6311,-1.4316;-5.8993,1.779,-1.8399;.0966,4.1533,.4471;.0637,2.6858,1.4545;.947,-1.5126,-2.514;2.7575,2.1103,-.8864;2.3829,3.7569,-.3127;2.4083,2.4001,.8415;1.9636,.4276,4.0191;1.2873,-.9092,3.0429;1.0406,.7906,2.53;7.2669,-.1541,-1.7096;6.7624,-.8149,-.1267;6.441,.9011,-.5256; 0.3135691 0.1063455 0.1000682 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= 1271 RedAO= T EigKep= 1.46D-06 NBF= 1271 NBsUse= 1268 1.00D-06 EigRej= 8.73D-07 NBFU= 1268 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= 1403 1403 1403 1403 1403 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -1782.02410309186 -1782.16508618089 -0.140983089033 -1782.16184972962 0.003236451268 -1782.16784866116 -0.005998931541 -1782.16798086679 -0.000132205630 -1782.16799555626 -0.000014689464 -1782.16799734586 -0.000001789601 -1782.16799752712 -0.000000181263 -1782.16799755296 -0.000000025835 -1782.16799755393 -0.000000000974 -1782.16799755409 -0.000000000159 -1782.16799755387 0.000000000225 -1782.16799755 12 1.775521046073e+03 -1.038108112213e+04 3.724309563961e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11320454883 LenY= 11318382723 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. PT24980.600S 2022-03-17T01:11:55.000 -89.07849 -19.18642 -19.18330 -19.17272 -19.14200 -19.14142 -19.13431 -19.12468 -14.37883 -14.36999 -14.33357 -14.32882 -14.32767 -10.34314 -10.32632 -10.32319 -10.31690 -10.26515 -10.22791 -10.22116 -10.22080 -10.21991 -10.21753 -10.20389 -10.19893 -10.19204 -10.18572 -10.18074 -8.13296 -6.09726 -6.09511 -6.09465 -1.13616 -1.12117 -1.10710 -1.08870 -1.08739 -1.03747 -1.03499 -1.02505 -0.97236 -0.94310 -0.91338 -0.90317 -0.87942 -0.79704 -0.78245 -0.75395 -0.74847 -0.74170 -0.71541 -0.69365 -0.68357 -0.65708 -0.64061 -0.63836 -0.61102 -0.60388 -0.59814 -0.58393 -0.56798 -0.55157 -0.53541 -0.52643 -0.52140 -0.51611 -0.50869 -0.50691 -0.49919 -0.48591 -0.48404 -0.47938 -0.47578 -0.46811 -0.46308 -0.46172 -0.45697 -0.44920 -0.44569 -0.43993 -0.43697 -0.41431 -0.40740 -0.40254 -0.39440 -0.38957 -0.38610 -0.38273 -0.37788 -0.37301 -0.37174 -0.36820 -0.36046 -0.35507 -0.34337 -0.34047 -0.33649 -0.33198 -0.31758 -0.31459 -0.31221 -0.30464 -0.29990 -0.29495 -0.28672 -0.27845 -0.27120 -0.24690 -0.05708 -0.04890 -0.03349 -0.01990 -0.00012 0.00735 0.01046 0.01485 0.01771 0.01883 0.02885 0.02948 0.03139 0.03516 0.03881 0.04100 0.04499 0.04684 0.04780 0.05443 0.05956 0.05990 0.06336 0.06765 0.06977 0.07241 0.07428 0.07873 0.08124 0.08228 0.08472 0.08712 0.09005 0.09296 0.09905 0.10142 0.10484 0.10844 0.10992 0.11300 0.11404 0.11804 0.12044 0.12212 0.12713 0.13174 0.13373 0.13967 0.14095 0.14131 0.14296 0.14515 0.14841 0.14998 0.15466 0.15781 0.16235 0.16308 0.16506 0.16622 0.17144 0.17588 0.17826 0.17920 0.18214 0.18246 0.18680 0.18778 0.19180 0.19257 0.19675 0.19813 0.19900 0.20206 0.20392 0.20543 0.21001 0.21205 0.21406 0.21502 0.21761 0.22023 0.22352 0.22540 0.22726 0.23212 0.23398 0.23520 0.23669 0.23987 0.24064 0.24255 0.24597 0.24721 0.25023 0.25297 0.25443 0.25565 0.25888 0.26123 0.26651 0.26675 0.27044 0.27318 0.27616 0.27718 0.27831 0.28109 0.28653 0.28740 0.28985 0.29280 0.29709 0.29761 0.29951 0.30093 0.30419 0.30742 0.31120 0.31236 0.31403 0.31689 0.31755 0.32181 0.32341 0.32764 0.32876 0.33077 0.33372 0.33606 0.33827 0.34003 0.34325 0.34773 0.35142 0.35494 0.35851 0.36013 0.36315 0.36553 0.36788 0.36898 0.37171 0.37583 0.37876 0.38098 0.38845 0.39061 0.39366 0.39726 0.39874 0.40041 0.40654 0.41149 0.41545 0.41783 0.42174 0.42278 0.42573 0.43031 0.43211 0.43700 0.44115 0.44480 0.44741 0.44857 0.45008 0.45708 0.45864 0.46108 0.46440 0.46708 0.47223 0.47461 0.47979 0.48160 0.48691 0.48950 0.49274 0.49968 0.50114 0.50259 0.50296 0.50786 0.51319 0.51632 0.51998 0.52434 0.52921 0.53183 0.53658 0.54217 0.54396 0.54897 0.54985 0.55169 0.55576 0.56056 0.56335 0.56536 0.57104 0.57542 0.57972 0.58051 0.58204 0.58588 0.58956 0.59228 0.59634 0.60293 0.60662 0.61150 0.61302 0.61517 0.61830 0.62053 0.62489 0.62908 0.63216 0.63358 0.63738 0.63810 0.64520 0.64928 0.65113 0.65587 0.65960 0.66246 0.66631 0.66766 0.67372 0.67672 0.68028 0.68435 0.68957 0.69293 0.69726 0.69792 0.70108 0.70827 0.70905 0.70977 0.71764 0.71944 0.72310 0.72444 0.72857 0.73046 0.73783 0.73999 0.74423 0.74813 0.75045 0.75459 0.75990 0.76453 0.76842 0.76980 0.77251 0.77921 0.78067 0.78906 0.79437 0.80065 0.80368 0.80636 0.81010 0.81302 0.81646 0.82169 0.83148 0.83590 0.83644 0.83770 0.84414 0.84779 0.85170 0.85219 0.86103 0.86221 0.86600 0.87136 0.87221 0.87810 0.88290 0.88509 0.88832 0.89504 0.89894 0.90623 0.90814 0.91254 0.91715 0.92120 0.92876 0.92992 0.93742 0.94139 0.94603 0.95128 0.95398 0.95798 0.96302 0.96603 0.96960 0.97224 0.98132 0.98586 0.98890 0.99723 0.99946 1.00729 1.00746 1.01288 1.01782 1.01957 1.02315 1.02942 1.03087 1.03604 1.03939 1.04143 1.04726 1.04899 1.05426 1.05554 1.06115 1.06527 1.06776 1.07339 1.07771 1.08479 1.08810 1.09189 1.09724 1.09905 1.10373 1.10936 1.11204 1.11711 1.12099 1.12197 1.12628 1.12807 1.13350 1.13437 1.13955 1.14268 1.15146 1.15491 1.15661 1.16247 1.16604 1.17166 1.17213 1.17403 1.18090 1.18409 1.19130 1.19247 1.19701 1.20006 1.20870 1.21009 1.21088 1.21659 1.22083 1.22217 1.22491 1.22857 1.23592 1.23662 1.24032 1.24414 1.24684 1.24991 1.25345 1.25898 1.26119 1.26674 1.26825 1.26982 1.27505 1.28323 1.28668 1.29341 1.29540 1.29862 1.30345 1.30766 1.31481 1.31757 1.32004 1.32376 1.32642 1.33266 1.33633 1.34001 1.34256 1.35040 1.35629 1.35870 1.36145 1.36732 1.37016 1.37647 1.37716 1.37991 1.38610 1.39009 1.39442 1.40440 1.40652 1.40972 1.41200 1.41473 1.41848 1.42305 1.42688 1.43271 1.43669 1.43924 1.44151 1.44399 1.45149 1.46050 1.46222 1.46691 1.47218 1.47694 1.48182 1.48673 1.49077 1.49302 1.49888 1.50211 1.51080 1.51522 1.52255 1.52677 1.53597 1.54175 1.54449 1.54889 1.55295 1.56790 1.57103 1.57224 1.57818 1.58501 1.59312 1.59349 1.60163 1.61068 1.61650 1.61762 1.62076 1.62480 1.64030 1.64126 1.65191 1.65492 1.66160 1.66963 1.67513 1.68683 1.69095 1.69703 1.70017 1.71810 1.72132 1.72619 1.73814 1.74138 1.74669 1.75299 1.75810 1.76142 1.76501 1.78001 1.78493 1.79469 1.81394 1.81652 1.81947 1.83000 1.84008 1.85129 1.85404 1.85800 1.86717 1.87966 1.88845 1.89530 1.90680 1.90822 1.91130 1.91470 1.91910 1.93291 1.94094 1.94381 1.94746 1.95392 1.95705 1.96592 1.97445 1.97705 1.98262 1.98678 1.99254 2.00073 2.00443 2.00985 2.01782 2.02475 2.02923 2.03698 2.04073 2.04934 2.05842 2.06342 2.06574 2.07134 2.07427 2.09108 2.10261 2.11196 2.11790 2.12041 2.13104 2.13761 2.14019 2.14753 2.15783 2.16262 2.16933 2.17201 2.18417 2.18767 2.19109 2.20823 2.21120 2.21266 2.21764 2.22639 2.22987 2.24308 2.25889 2.26733 2.27136 2.28679 2.29824 2.30173 2.31165 2.31368 2.32994 2.33781 2.35002 2.35429 2.36312 2.37502 2.37897 2.38710 2.40889 2.41547 2.42236 2.43035 2.43817 2.44579 2.45055 2.46019 2.48510 2.48944 2.49028 2.50601 2.51567 2.52092 2.52582 2.54126 2.55519 2.55977 2.57207 2.58782 2.60981 2.61339 2.62410 2.65608 2.66344 2.66832 2.68400 2.68985 2.71318 2.72586 2.72995 2.73839 2.75018 2.76128 2.76641 2.77719 2.78811 2.79036 2.79793 2.80441 2.81074 2.81495 2.82788 2.83103 2.83962 2.84735 2.85135 2.86293 2.86637 2.87663 2.88021 2.88467 2.88986 2.89762 2.90093 2.90546 2.91585 2.92149 2.92265 2.92494 2.93707 2.94068 2.94143 2.95099 2.95405 2.95950 2.96239 2.97611 2.97948 2.98302 2.98958 3.00332 3.00954 3.01253 3.01895 3.02885 3.03850 3.04014 3.04352 3.05481 3.06247 3.06627 3.07225 3.07468 3.08460 3.09024 3.09340 3.10287 3.11268 3.11834 3.12420 3.13377 3.13990 3.15119 3.16089 3.17127 3.17878 3.18983 3.19340 3.19932 3.21738 3.22449 3.23244 3.24227 3.24736 3.25308 3.26013 3.26764 3.28031 3.28723 3.29425 3.30028 3.30279 3.30497 3.30813 3.31258 3.31482 3.32518 3.33065 3.33871 3.34999 3.35200 3.36120 3.36218 3.36914 3.38020 3.38702 3.39021 3.40891 3.41308 3.41535 3.42704 3.43780 3.44354 3.44451 3.45835 3.46350 3.47048 3.47763 3.48755 3.49438 3.50892 3.51269 3.51788 3.52175 3.52253 3.53181 3.53774 3.53926 3.54181 3.55052 3.55592 3.55868 3.56973 3.57298 3.57968 3.59425 3.59743 3.60496 3.61783 3.62139 3.62622 3.63640 3.64351 3.65270 3.65456 3.66211 3.66379 3.66728 3.67107 3.68645 3.68720 3.69179 3.69434 3.70206 3.70918 3.71181 3.71939 3.72713 3.73055 3.73460 3.73945 3.75299 3.76094 3.77302 3.78094 3.78954 3.79800 3.80891 3.82064 3.82269 3.82713 3.83385 3.84285 3.85178 3.87002 3.87128 3.88273 3.89158 3.89897 3.90853 3.91319 3.92094 3.92922 3.93586 3.94459 3.96320 3.96625 3.97951 3.98842 3.99814 4.01319 4.01818 4.04107 4.05563 4.06940 4.07750 4.10726 4.12203 4.13870 4.14836 4.15828 4.16238 4.16406 4.17028 4.17546 4.18338 4.18797 4.19384 4.20196 4.21844 4.22351 4.22777 4.23339 4.24597 4.25288 4.25377 4.27044 4.27715 4.28565 4.29159 4.29445 4.30364 4.30688 4.30869 4.32264 4.32658 4.33389 4.33623 4.35224 4.36245 4.36751 4.37296 4.38010 4.38488 4.39773 4.39948 4.40728 4.41246 4.41541 4.42120 4.42269 4.42833 4.43381 4.44801 4.45349 4.45893 4.47844 4.48597 4.48957 4.50746 4.50836 4.51612 4.51642 4.53622 4.54094 4.54823 4.55728 4.56432 4.56814 4.57047 4.57464 4.57715 4.59461 4.59601 4.61345 4.61996 4.63377 4.63876 4.64327 4.64659 4.66476 4.66731 4.69132 4.69646 4.71442 4.71728 4.73109 4.73423 4.74766 4.75444 4.76893 4.78133 4.78286 4.80387 4.83040 4.85121 4.85738 4.87011 4.91517 4.92442 4.93593 4.95045 4.95072 4.97275 4.97895 4.98924 5.01769 5.03040 5.03409 5.04079 5.06257 5.08798 5.09123 5.10029 5.10590 5.10985 5.12165 5.14315 5.14918 5.16801 5.17188 5.21581 5.22191 5.22977 5.23342 5.23989 5.25283 5.26457 5.28900 5.30481 5.30993 5.31489 5.31904 5.32298 5.33826 5.34847 5.35436 5.36519 5.37931 5.40043 5.40277 5.41185 5.42480 5.45207 5.47143 5.48623 5.49060 5.50108 5.51108 5.53650 5.53717 5.57489 5.57907 5.59104 5.60288 5.61684 5.62425 5.65438 5.66044 5.67041 5.67621 5.67949 5.68628 5.69294 5.70366 5.71241 5.71820 5.74741 5.75308 5.76801 5.78259 5.82476 5.83251 5.84685 5.85116 5.85601 5.86416 5.87784 5.89138 5.90247 5.90743 5.93436 5.94911 5.95659 5.97090 5.97543 5.97768 5.99195 6.00652 6.01211 6.01943 6.08792 6.13704 6.14330 6.16312 6.20051 6.23144 6.25706 6.28707 6.35393 6.36472 6.38542 6.39872 6.42713 6.51029 6.51932 6.55029 6.60470 6.61945 6.66644 6.68222 6.72257 6.86922 6.89230 6.96899 6.98780 7.04189 7.08578 7.11663 7.14502 7.17077 7.21292 7.23960 7.25018 7.25917 7.26371 7.27934 7.28682 7.29185 7.30659 7.30972 7.32463 7.33216 7.33615 7.34873 7.36245 7.36913 7.37393 7.38128 7.39380 7.40457 7.41666 7.43357 7.43932 7.46177 7.46454 7.51346 7.51962 7.53533 7.54117 7.56578 7.59741 7.60913 7.63200 7.64463 7.65549 7.67641 7.84993 7.87936 7.89754 7.90493 7.92109 7.92490 7.92735 7.93873 7.94438 7.97633 7.98223 7.99577 8.01618 8.02103 8.02575 8.04238 8.06267 8.08981 8.10200 8.13489 8.14129 8.18420 8.20003 8.23105 8.25565 8.29224 8.29821 8.34130 8.38158 8.41957 8.43183 8.46886 8.49086 8.54480 8.65657 9.18544 9.36310 10.30887 10.32367 10.37627 10.42660 10.46075 10.49013 10.51523 10.58451 10.59569 10.65748 10.68357 10.69347 10.71301 10.73297 10.76193 10.91521 10.99323 11.05622 11.19405 11.24458 11.29184 11.34617 11.48152 11.53466 11.79051 14.34839 14.35103 14.37828 14.39326 14.39918 14.41568 14.41720 14.43986 14.45595 14.46955 14.48570 14.48808 14.49570 14.50030 14.50354 14.50672 14.51122 14.52936 14.54292 14.54920 14.58384 14.60542 14.65913 14.67052 14.77914 14.86081 14.88085 15.02067 15.02982 15.03292 15.08690 15.10607 15.11239 15.12176 15.15452 17.89093 17.99719 18.24638 24.03620 24.28386 24.29850 24.30522 24.33919 24.55950 24.91608 24.96556 25.08502 25.17936 25.21667 25.26104 25.33042 25.39298 25.77468 35.99472 36.15998 36.31099 36.31694 36.47164 50.08625 50.19468 50.23873 50.27650 50.29443 50.30103 50.47449 190.22529 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 S O O O O O O O N N N N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.942511 -0.700557 -0.616956 -0.582892 -0.584490 -0.813045 -0.675475 -0.574683 -0.562179 -1.003224 -1.086066 -0.732167 -1.055867 -0.128908 0.687500 0.015069 -0.336370 0.229580 -0.234032 -0.256856 -0.313072 1.320823 1.097042 -0.163174 1.329805 1.342184 -0.239016 -0.069167 0.175720 0.165217 0.426923 0.178862 0.194587 0.163563 0.160924 0.159143 0.194415 0.285831 0.189507 0.142000 0.182833 0.169213 0.199092 0.249935 0.164594 0.179529 0.181790 -0.00000 3.6595 10.3898 -0.0359 11.0155 -138.6324 -162.0680 -179.5344 -18.7176 12.5032 0.9748 21.4459 -1.9897 -19.4561 -18.7176 12.5032 0.9748 66.9776 116.6211 32.7964 21.7779 67.9251 -84.1484 20.9857 23.8325 3.6871 0.7186 -8291.3535 -2458.3617 -1758.6710 -39.3180 72.0978 -166.8938 20.5244 74.1628 10.9459 -2115.6782 -2199.7853 -755.8386 -92.2451 46.8390 -42.6700 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTILLA APULGAR 2022-03-17T00:00:00.000 0 Single Point cinosulfuron CONF90 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1782.1679976 RMSD=3.516e-09 Dipole=1.6653858,2.7925517,2.8653371 Quadrupole=13.8607888,-6.8546921,-7.0060967,-17.5322968,-3.4845947,7.0569493 PG=C01 [X(C15H19N5O7S1)] 0 -2.2574023054 -1.5314944033 -0.2656107018 0 -1.7223696182 0.9720807567 1.2160964177 0 -2.0150240758 -2.0783377562 1.0746629687 0 -2.7944765692 -2.4287853157 -1.2912642093 0 0.9806643909 2.0048711107 1.3357095413 0 -1.3538935448 0.0790384997 -2.6574541935 0 2.9841655961 -1.7589292109 1.5716509304 0 5.329464167 0.4851818303 -1.6083084555 0 -0.7270245923 -1.0103406279 -0.7415626975 0 0.8335482231 0.1411808849 -2.055195453 0 3.1124362104 0.3318779425 -1.8324053784 0 1.8579446392 -0.8590978499 -0.2093915096 0 4.2116393483 -0.6998180752 0.017592633 0 -3.2907243951 -0.0848525259 -0.1935939019 0 -2.9225014661 1.021322452 0.5996809011 0 -4.4954256449 -0.1121512915 -0.8954483387 0 -3.8150700499 2.0955370317 0.6833830948 0 -1.3058099432 2.0949504544 2.0263002092 0 -5.3669379392 0.9660425145 -0.8061636748 0 -5.0205093577 2.0588259928 -0.0126586789 0 0.1157087681 1.8584082233 2.4593760199 0 -0.4865260714 -0.2507813319 -1.8591638871 0 1.9747202203 -0.1417583965 -1.3327530059 0 2.3560876656 1.9072081797 1.6997557142 0 3.0015810389 -1.0892121383 0.4275971774 0 4.1935259152 0.0134405186 -1.1056180762 0 1.6965851823 -2.1656399623 2.1079716734 0 6.5703398259 0.2204903006 -0.9080337945 0 -4.740651656 -0.9709167948 -1.5057353437 0 -3.5743702285 2.9572792196 1.2891716614 0 0.0459485745 -1.1501112483 -0.0746422524 0 -1.9576410495 2.1701735394 2.9008701267 0 -1.3699116841 3.0152462189 1.4402973125 0 -6.3037183965 0.9500928403 -1.34829116 0 -5.695590676 2.9028755879 0.0686403323 0 0.3649211152 2.5995071539 3.2304908705 0 0.2252923548 0.8566584453 2.8951315114 0 0.9710970148 0.6869379323 -2.898885642 0 2.9399183002 1.9652639115 0.7811075015 0 2.643635824 2.7323187599 2.3636706981 0 2.5647102261 0.959277145 2.2089965656 0 1.9321520112 -2.6574480839 3.0484530872 0 1.2067855157 -2.8614825675 1.4268821409 0 1.0679854949 -1.2916963331 2.2810534798 0 7.3350278366 0.7078316159 -1.5084293924 0 6.7554492083 -0.8522448312 -0.8550581766 0 6.5401762613 0.6520854825 0.0924230229