Gaussian 16 GINC-CIBELES2-315 PAULAPLA Optimization difenoconazole_RR CONF7 gas EM64L-G16RevC.01 5-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 44 44 105 105 712 (5D, 7F) 6-311+G(d,p) 126 126 C1[X(C19H17Cl2N3O3)] C1[X(C19H17Cl2N3O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 389.12759999999975 0 1 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2508507/Gau-19614.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2508507/" chk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/gas/CONF7/opt- #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization difenoconazole_RR CONF7 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 3 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -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 1 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 17 18 18 20 21 22 22 23 23 24 24 25 25 26 26 15 27 9 10 9 12 19 22 7 11 20 21 20 21 11 13 12 14 28 29 30 31 32 15 16 33 34 35 17 18 36 19 37 19 38 39 40 23 24 25 41 26 42 27 43 27 44 1.7294 1.7277 1.4047 1.424 1.3906 1.4064 1.3606 1.3642 1.3362 1.4377 1.3416 1.3096 1.3079 1.3495 1.533 1.5253 1.5319 1.5127 1.0956 1.0876 1.091 1.0897 1.0979 1.393 1.3918 1.0911 1.0905 1.0893 1.3854 1.3822 1.0803 1.3842 1.0812 1.387 1.0819 1.0784 1.0788 1.387 1.3894 1.3848 1.0818 1.3851 1.0825 1.3854 1.081 1.3857 1.081 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 9 9 19 7 7 11 6 20 3 3 3 4 4 11 3 3 3 12 12 14 6 6 6 9 9 29 4 4 4 10 10 31 9 9 15 10 10 10 33 33 34 1 1 13 13 13 18 15 15 19 16 16 19 5 5 17 6 6 8 7 7 8 5 5 23 22 22 25 22 22 26 23 23 27 24 24 27 2 2 25 3 4 5 6 6 6 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 10 12 22 11 20 20 21 21 4 11 13 11 13 13 12 14 28 14 28 28 9 29 30 29 30 30 10 31 32 31 32 32 15 16 16 33 34 35 34 35 35 13 17 17 18 36 36 19 37 37 19 38 38 17 18 18 8 39 39 8 40 40 23 24 24 25 41 41 26 42 42 27 43 43 27 44 44 25 26 26 109.0564 105.653 119.5747 121.0826 109.606 129.0883 102.6815 102.5921 105.786 108.5964 110.2086 108.0557 113.0123 110.9621 102.8188 111.9367 107.7173 114.0775 110.4733 109.507 111.4222 107.6829 109.8047 110.4565 108.9807 108.4419 103.3323 108.8576 111.3767 113.457 111.2868 108.4732 123.0961 119.7296 117.0025 110.059 111.4066 111.3294 108.0131 107.4765 108.4129 121.8971 116.3759 121.7071 122.435 119.0218 118.5398 119.635 120.4403 119.9212 119.0357 120.0305 120.9308 117.243 122.5534 120.1816 110.1974 123.1556 126.6465 114.9189 121.7715 123.3053 117.1456 122.5839 120.2224 120.0041 119.7082 120.2869 119.6759 120.8127 119.5114 119.7163 120.0401 120.2416 119.9709 119.8359 120.1923 119.8047 119.7898 120.4055 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 10 10 10 9 9 9 12 12 12 9 9 9 22 22 19 19 11 20 7 7 7 20 20 20 7 7 11 11 6 6 21 21 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 11 11 3 3 3 14 14 14 28 28 28 3 3 3 12 12 12 28 28 28 9 9 16 16 9 9 15 15 1 1 13 13 13 13 36 36 15 15 37 37 16 16 38 38 5 5 24 24 5 5 23 23 22 22 41 41 22 22 42 42 23 23 43 43 24 24 44 44 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 9 9 9 10 10 10 9 9 9 12 12 12 19 19 22 22 7 7 11 11 11 11 11 11 20 20 20 20 21 21 20 20 21 21 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 4 11 13 12 14 28 3 11 13 10 31 32 17 18 23 24 21 21 9 29 30 9 29 30 8 39 8 39 8 40 6 39 7 40 6 29 30 6 29 30 6 29 30 15 16 15 16 15 16 4 31 32 4 31 32 4 31 32 33 34 35 33 34 35 33 34 35 1 17 1 17 18 36 18 36 19 37 19 37 19 38 19 38 5 18 5 18 5 17 5 17 25 41 25 41 26 42 26 42 27 43 27 43 27 44 27 44 2 26 2 26 2 25 2 25 -22.1138 -137.8962 100.3633 0.396 -122.4714 117.0926 36.2955 152.4456 -84.3742 -35.1144 -155.9936 84.4511 -137.6273 44.0766 -145.8534 36.6669 175.6106 0.5671 -97.6914 23.5829 141.4688 76.2894 -162.4363 -44.5504 -0.6885 179.5226 -175.218 4.9931 -0.2831 178.986 0.4736 -179.7467 -0.1134 -179.37 -68.9804 171.3759 52.3406 176.7152 57.0715 -61.9638 52.2983 -67.3453 173.6194 -166.8259 18.0854 -48.7074 136.2039 72.8478 -102.2409 20.9495 138.6549 -98.6778 142.3702 -99.9244 22.7429 -93.7649 23.9405 146.6078 -178.8629 61.3524 -59.7984 64.9091 -54.8756 -176.0264 -59.4746 -179.2592 59.5899 3.0319 -175.2893 178.2455 -0.0756 175.7382 -3.5765 0.3555 -178.9593 -178.3154 0.9982 0.0937 179.4073 -0.6428 179.9819 178.6751 -0.7002 -178.7189 -0.3803 1.9639 -179.6975 178.892 0.6445 -1.7385 -179.9861 -177.5517 2.1346 -0.0094 179.677 177.9498 -2.0522 0.5453 -179.4566 -0.5743 179.9309 179.7412 0.2464 -0.4955 179.8359 179.5064 -0.1622 -179.4217 0.6253 0.072 -179.8809 179.9582 -0.0889 -0.3745 179.5785 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 739 A 712 A 1142 739 2792.7747072481 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 712 RedAO= T EigKep= 1.18D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 6.96D-07 NBFU= 709 Berny optimization. local minimum Step number 23 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00068 0.00141 0.00279 0.00344 0.00597 0.00984 0.01182 0.01525 0.01633 0.02187 0.02219 0.02244 0.02258 0.02261 0.02267 0.02275 0.02278 0.02279 0.02280 0.02282 0.02283 0.02286 0.02289 0.02291 0.02301 0.02562 0.02611 0.02976 0.03238 0.04047 0.04259 0.04472 0.04559 0.05032 0.05505 0.05709 0.05757 0.05808 0.05826 0.06731 0.08044 0.09166 0.09304 0.10444 0.11022 0.11151 0.12746 0.14704 0.15271 0.15569 0.15886 0.15943 0.15951 0.15997 0.16000 0.16008 0.16012 0.16019 0.16032 0.16049 0.16264 0.19090 0.20395 0.20989 0.22044 0.22363 0.22737 0.23143 0.23468 0.23663 0.23986 0.24162 0.24602 0.24994 0.25050 0.25557 0.26656 0.29031 0.29204 0.30559 0.31620 0.32338 0.32705 0.33935 0.34187 0.34662 0.34717 0.34743 0.34847 0.34879 0.35112 0.35385 0.35730 0.35786 0.35832 0.35849 0.35870 0.35883 0.36042 0.36218 0.36756 0.38197 0.38517 0.40469 0.41244 0.41797 0.43573 0.43849 0.43909 0.44852 0.45922 0.47259 0.47777 0.47895 0.48122 0.48404 0.48435 0.49033 0.51432 0.52177 0.52633 0.54298 0.56806 0.57759 0.63890 0.69041 -3.37069756e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 3.32606 3.32490 2.70020 2.73414 2.66727 2.69519 2.60358 2.61271 2.56936 2.74190 2.55544 2.49831 2.49599 2.57523 2.90587 2.89973 2.89964 2.86770 2.06989 2.05418 2.06001 2.05809 2.07410 2.64803 2.64302 2.06773 2.06443 2.06318 2.62831 2.62320 2.04263 2.62641 2.04344 2.63153 2.04503 2.03738 2.03969 2.63062 2.63562 2.63023 2.04620 2.63042 2.04607 2.63002 2.04523 2.63038 2.04532 1.90121 1.83758 2.08980 2.11254 1.91058 2.25350 1.78868 1.79278 1.84414 1.88829 1.92117 1.87489 1.97879 1.95133 1.79247 1.93142 1.86990 2.00874 1.92344 1.92902 1.94406 1.88020 1.92088 1.92046 1.88268 1.91578 1.79974 1.88780 1.92829 1.98861 1.94057 1.91507 2.15509 2.08040 2.04440 1.92337 1.92860 1.92955 1.89741 1.88757 1.89642 2.13286 2.02784 2.12217 2.13581 2.06063 2.08669 2.08594 2.10965 2.08742 2.07475 2.10723 2.10109 2.03750 2.14160 2.10319 1.92540 2.13852 2.21916 2.00722 2.12345 2.15246 2.03913 2.13672 2.10565 2.09149 2.07922 2.11247 2.08667 2.09817 2.09833 2.08400 2.10286 2.09631 2.08756 2.09974 2.09586 2.08632 2.08594 2.11092 -0.31799 -2.32164 1.82465 -0.08358 -2.23625 1.94280 0.61848 2.63134 -1.48697 -0.65862 -2.77033 1.41646 -2.44742 0.73953 -2.53385 0.66982 3.04267 0.01336 -1.76903 0.33862 2.42689 1.23598 -2.93955 -0.85128 -0.01444 3.11207 -3.03198 0.09453 -0.00845 3.12326 0.00856 -3.11708 0.00018 -3.13134 -1.20042 2.99889 0.90937 3.09942 1.01554 -1.07398 0.91793 -1.16595 3.02771 -2.95035 0.28104 -0.88903 2.34235 1.23361 -1.81819 0.44772 2.48936 -1.61880 2.54782 -1.69372 0.48130 -1.53984 0.50180 2.67682 -3.12781 1.05802 -1.04210 1.13337 -0.96398 -3.06410 -1.05927 3.12657 1.02644 0.05373 -3.06004 3.10725 -0.00652 3.06198 -0.06835 0.00453 -3.12580 -3.10345 0.01780 0.01191 3.13316 -0.00786 -3.13316 3.12230 -0.00300 -3.11243 -0.01514 0.04924 -3.13665 3.10767 0.01309 -0.05016 3.13845 -3.08501 0.05352 -0.00432 3.13421 3.08931 -0.05665 0.01211 -3.13385 -0.00534 -3.14120 3.13937 0.00350 -0.01014 3.13884 3.13582 0.00161 -3.13346 0.00727 0.00243 -3.14002 3.14124 0.00051 -0.00772 3.13473 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 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 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00008 -0.00008 0.00004 0.00004 0.00002 -0.00000 -0.00005 -0.00006 -0.00006 -0.00002 -0.00003 -0.00003 0.00001 -0.00000 -0.00002 -0.00003 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00003 0.00002 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00002 -0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00002 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00002 -0.00000 0.00001 0.00000 0.00002 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00002 -0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00002 -0.00001 -0.00002 0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00002 -0.00001 0.00001 -0.00000 0.00002 0.00001 -0.00002 0.00000 0.00002 -0.00002 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00002 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00010 0.00010 0.00009 -0.00012 -0.00014 -0.00013 -0.00004 -0.00004 -0.00004 -0.00004 -0.00006 -0.00004 0.00007 0.00007 -0.00010 -0.00011 0.00011 -0.00002 -0.00008 -0.00006 -0.00008 0.00007 0.00009 0.00007 0.00002 0.00001 -0.00011 -0.00012 0.00001 0.00002 -0.00001 -0.00000 0.00000 -0.00001 0.00005 0.00004 0.00006 0.00005 0.00004 0.00006 0.00006 0.00005 0.00006 -0.00002 -0.00007 -0.00002 -0.00006 -0.00002 -0.00006 0.00010 0.00011 0.00011 0.00011 0.00012 0.00011 0.00009 0.00010 0.00009 -0.00003 -0.00003 -0.00003 -0.00004 -0.00004 -0.00004 -0.00003 -0.00002 -0.00003 -0.00006 -0.00005 -0.00001 -0.00001 0.00005 0.00005 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00002 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00003 0.00004 0.00002 -0.00001 0.00002 0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00002 -0.00002 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00002 0.00002 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00002 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00002 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00002 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00002 0.00001 -0.00001 -0.00002 0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00002 -0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00000 0.00002 -0.00002 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00010 0.00010 0.00009 -0.00012 -0.00013 -0.00012 -0.00004 -0.00004 -0.00004 -0.00004 -0.00005 -0.00003 -0.00001 -0.00002 -0.00006 -0.00007 0.00013 -0.00002 -0.00013 -0.00012 -0.00014 0.00005 0.00006 0.00004 0.00003 0.00001 -0.00014 -0.00015 0.00001 0.00003 -0.00002 -0.00000 0.00000 -0.00001 0.00005 0.00005 0.00007 0.00005 0.00005 0.00007 0.00007 0.00006 0.00008 -0.00001 -0.00007 -0.00001 -0.00007 -0.00002 -0.00007 0.00010 0.00011 0.00010 0.00011 0.00012 0.00011 0.00008 0.00009 0.00008 -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 -0.00005 -0.00003 -0.00003 -0.00003 -0.00008 -0.00007 -0.00002 -0.00001 0.00007 0.00006 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00002 0.00001 -0.00001 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00002 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00002 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 3.32608 3.32495 2.70023 2.73412 2.66728 2.69520 2.60359 2.61272 2.56936 2.74191 2.55543 2.49831 2.49599 2.57522 2.90587 2.89971 2.89962 2.86771 2.06990 2.05419 2.06001 2.05810 2.07410 2.64804 2.64303 2.06773 2.06443 2.06319 2.62832 2.62320 2.04263 2.62643 2.04343 2.63153 2.04504 2.03738 2.03969 2.63064 2.63562 2.63024 2.04620 2.63044 2.04607 2.63003 2.04523 2.63038 2.04532 1.90121 1.83757 2.08982 2.11253 1.91058 2.25352 1.78868 1.79278 1.84414 1.88828 1.92118 1.87490 1.97878 1.95134 1.79247 1.93142 1.86991 2.00876 1.92343 1.92900 1.94406 1.88019 1.92089 1.92047 1.88268 1.91576 1.79973 1.88780 1.92828 1.98862 1.94058 1.91505 2.15509 2.08042 2.04438 1.92337 1.92860 1.92956 1.89740 1.88756 1.89641 2.13285 2.02784 2.12219 2.13582 2.06064 2.08668 2.08594 2.10966 2.08741 2.07476 2.10721 2.10110 2.03751 2.14159 2.10318 1.92539 2.13853 2.21915 2.00723 2.12345 2.15246 2.03913 2.13673 2.10565 2.09150 2.07921 2.11248 2.08667 2.09818 2.09832 2.08399 2.10287 2.09631 2.08755 2.09974 2.09587 2.08631 2.08594 2.11094 -0.31789 -2.32155 1.82474 -0.08370 -2.23639 1.94268 0.61844 2.63129 -1.48702 -0.65865 -2.77038 1.41643 -2.44743 0.73952 -2.53391 0.66975 3.04280 0.01334 -1.76916 0.33850 2.42675 1.23603 -2.93949 -0.85124 -0.01442 3.11208 -3.03212 0.09437 -0.00844 3.12329 0.00854 -3.11708 0.00018 -3.13136 -1.20036 2.99894 0.90944 3.09947 1.01559 -1.07392 0.91799 -1.16589 3.02779 -2.95036 0.28096 -0.88905 2.34228 1.23359 -1.81827 0.44781 2.48947 -1.61870 2.54793 -1.69360 0.48141 -1.53976 0.50189 2.67691 -3.12785 1.05799 -1.04214 1.13332 -0.96403 -3.06415 -1.05930 3.12654 1.02641 0.05365 -3.06011 3.10723 -0.00653 3.06204 -0.06829 0.00454 -3.12579 -3.10344 0.01781 0.01190 3.13316 -0.00786 -3.13318 3.12231 -0.00301 -3.11242 -0.01512 0.04925 -3.13664 3.10766 0.01307 -0.05015 3.13846 -3.08502 0.05351 -0.00432 3.13421 3.08932 -0.05662 0.01211 -3.13384 -0.00534 -3.14121 3.13937 0.00350 -0.01013 3.13884 3.13581 0.00160 -3.13345 0.00728 0.00244 -3.14002 3.14123 0.00050 -0.00772 3.13473 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.000996 0.000192 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.999966e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 17 18 18 20 21 22 22 23 23 24 24 25 25 26 26 15 27 9 10 9 12 19 22 7 11 20 21 20 21 11 13 12 14 28 29 30 31 32 15 16 33 34 35 17 18 36 19 37 19 38 39 40 23 24 25 41 26 42 27 43 27 44 1.7601 1.7595 1.4289 1.4468 1.4115 1.4262 1.3778 1.3826 1.3596 1.4509 1.3523 1.322 1.3208 1.3628 1.5377 1.5345 1.5344 1.5175 1.0953 1.087 1.0901 1.0891 1.0976 1.4013 1.3986 1.0942 1.0924 1.0918 1.3908 1.3881 1.0809 1.3898 1.0813 1.3925 1.0822 1.0781 1.0794 1.3921 1.3947 1.3919 1.0828 1.392 1.0827 1.3917 1.0823 1.3919 1.0823 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 9 9 19 7 7 11 6 20 3 3 3 4 4 11 3 3 3 12 12 14 6 6 6 9 9 29 4 4 4 10 10 31 9 9 15 10 10 10 33 33 34 1 1 13 13 13 18 15 15 19 16 16 19 5 5 17 6 6 8 7 7 8 5 5 23 22 22 25 22 22 26 23 23 27 24 24 27 2 2 25 3 4 5 6 6 6 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 10 12 22 11 20 20 21 21 4 11 13 11 13 13 12 14 28 14 28 28 9 29 30 29 30 30 10 31 32 31 32 32 15 16 16 33 34 35 34 35 35 13 17 17 18 36 36 19 37 37 19 38 38 17 18 18 8 39 39 8 40 40 23 24 24 25 41 41 26 42 42 27 43 43 27 44 44 25 26 26 108.9315 105.2857 119.7367 121.0394 109.468 129.116 102.484 102.7189 105.6616 108.1912 110.0747 107.4236 113.3765 111.8031 102.7007 110.6621 107.1373 115.0925 110.2051 110.5247 111.3862 107.7273 110.0582 110.034 107.8696 109.7663 103.1173 108.1628 110.4827 113.9387 111.1864 109.7255 123.4775 119.198 117.1355 110.2007 110.5009 110.555 108.7135 108.1499 108.6567 122.2036 116.1869 121.5916 122.3726 118.0656 119.5587 119.5158 120.874 119.6001 118.8746 120.7353 120.3835 116.7402 122.7044 120.504 110.3171 122.528 127.1484 115.0055 121.6649 123.327 116.8333 122.4252 120.6448 119.8336 119.1307 121.0355 119.5576 120.2166 120.2254 119.4044 120.4853 120.1095 119.6083 120.3064 120.084 119.5372 119.5157 120.9471 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 10 10 10 9 9 9 12 12 12 9 9 9 22 22 19 19 11 20 7 7 7 20 20 20 7 7 11 11 6 6 21 21 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 11 11 3 3 3 14 14 14 28 28 28 3 3 3 12 12 12 28 28 28 9 9 16 16 9 9 15 15 1 1 13 13 13 13 36 36 15 15 37 37 16 16 38 38 5 5 24 24 5 5 23 23 22 22 41 41 22 22 42 42 23 23 43 43 24 24 44 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 9 9 9 10 10 10 9 9 9 12 12 12 19 19 22 22 7 7 11 11 11 11 11 11 20 20 20 20 21 21 20 20 21 21 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 4 11 13 12 14 28 3 11 13 10 31 32 17 18 23 24 21 21 9 29 30 9 29 30 8 39 8 39 8 40 6 39 7 40 6 29 30 6 29 30 6 29 30 15 16 15 16 15 16 4 31 32 4 31 32 4 31 32 33 34 35 33 34 35 33 34 35 1 17 1 17 18 36 18 36 19 37 19 37 19 38 19 38 5 18 5 18 5 17 5 17 25 41 25 41 26 42 26 42 27 43 27 43 27 44 27 44 2 26 2 26 2 25 2 -18.2193 -133.0204 104.5449 -4.7887 -128.1278 111.3145 35.4362 150.7645 -85.1974 -37.7359 -158.7284 81.157 -140.227 42.372 -145.1792 38.3777 174.3323 0.7655 -101.3581 19.4016 139.0506 70.8165 -168.4238 -48.7748 -0.8275 178.3083 -173.7199 5.4159 -0.4842 178.9496 0.4903 -178.5956 0.0103 -179.4129 -68.7787 171.8238 52.103 177.5836 58.1862 -61.5347 52.5935 -66.804 173.4752 -169.0425 16.1022 -50.9378 134.2068 70.6805 -104.1749 25.6522 142.63 -92.7505 145.9794 -97.0429 27.5766 -88.2266 28.7512 153.3707 -179.2105 60.6203 -59.7081 64.9373 -55.2319 -175.5602 -60.6918 179.139 58.8107 3.0782 -175.3274 178.0321 -0.3736 175.4384 -3.9162 0.2595 -179.095 -177.8143 1.02 0.6823 179.5166 -0.4504 -179.517 178.8949 -0.1718 -178.3292 -0.8674 2.8215 -179.7168 178.0562 0.7501 -2.8738 179.8202 -176.7582 3.0668 -0.2478 179.5771 177.0045 -3.2456 0.6938 -179.5563 -0.3059 -179.9778 179.8726 0.2007 -0.5807 179.8423 179.6693 0.0924 -179.5339 0.4168 0.1392 -179.9101 179.9798 0.0291 -0.4424 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0545805057 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 10.271162 0.000000 4.511400 10.338009 0.000000 2.959593 11.307494 2.229309 0.000000 4.988682 5.855279 6.309345 6.404949 0.000000 4.263461 9.320495 2.926706 3.642555 6.057846 0.000000 4.187751 8.455908 4.019545 4.467999 5.444050 1.336236 0.000000 6.164635 8.246779 4.242153 5.611690 6.481615 2.173019 2.241774 0.000000 3.146339 10.149835 1.404677 1.390640 5.684367 2.454976 3.317487 4.284334 0.000000 4.990896 11.290589 1.424021 2.306136 6.947256 4.306200 5.378441 5.644850 2.303722 0.000000 3.444053 10.344547 2.386728 2.367554 6.341585 1.437708 2.415818 3.573505 1.532961 3.519507 0.000000 3.972058 11.643205 2.311380 1.406406 6.700540 4.642204 5.539611 6.362644 2.228733 1.531881 3.535402 0.000000 2.734479 8.880734 2.404156 2.432883 4.161404 2.875404 3.178024 4.353066 1.525316 3.208912 2.519838 3.005340 0.000000 5.901390 10.939328 2.434292 3.590486 6.827899 5.277170 6.229074 6.232093 3.424020 1.512749 4.754801 2.554584 3.804377 0.000000 1.729426 8.833497 3.711454 3.005909 3.615698 3.650138 3.537082 5.197571 2.566627 4.356516 3.234120 3.732827 1.393023 4.955766 0.000000 3.996177 7.857906 2.731915 3.597910 3.651081 3.302315 3.503554 4.076166 2.523696 3.563566 3.447125 3.813074 1.391751 3.662979 2.374441 0.000000 2.653163 7.824661 4.822500 4.352036 2.343360 4.573460 4.140548 5.723403 3.840673 5.458490 4.460934 4.908619 2.426653 5.781492 1.385443 2.753760 0.000000 4.493861 6.698267 4.108652 4.785105 2.409492 4.302947 4.118907 4.722308 3.813940 4.840736 4.622666 4.969376 2.431217 4.705296 2.766556 1.382169 2.402087 0.000000 3.953494 6.678938 4.977577 5.084361 1.360570 4.843904 4.395783 5.507889 4.324501 5.656631 5.031342 5.427796 2.802086 5.674196 2.394147 2.386410 1.384188 1.386970 0.000000 5.518612 9.189644 3.123926 4.503494 6.629700 1.341573 2.188241 1.307897 3.240649 4.519511 2.509800 5.247775 3.685176 5.288822 4.690007 3.672177 5.495236 4.651313 5.473484 0.000000 5.413618 7.766791 4.615304 5.521325 5.731193 2.066133 1.309599 1.349526 4.243480 6.028199 3.447235 6.446567 4.027861 6.692134 4.534764 3.924106 4.918148 4.362712 4.833803 2.073982 0.000000 6.102357 4.492846 6.973312 7.386538 1.364197 6.446638 5.715046 6.416525 6.486341 7.741366 6.997621 7.703452 5.010551 7.544027 4.667490 4.251597 3.492161 2.917346 2.354645 6.816279 5.698490 0.000000 7.320177 3.986026 8.109128 8.571463 2.347601 7.778503 7.077838 7.626405 7.716490 8.769074 8.323982 8.753570 6.230896 8.389340 5.900271 5.381359 4.676254 4.002003 3.530119 8.068228 6.984471 1.386961 0.000000 6.286801 3.988176 6.863794 7.475195 2.415117 5.848125 4.980436 5.485232 6.405020 7.839468 6.644861 7.950601 5.059025 7.777308 4.869278 4.278636 3.904985 3.140528 2.880744 6.097050 4.728727 1.389361 2.407055 0.000000 8.499630 2.698845 9.022499 9.681505 3.622266 8.493351 7.727469 8.006916 8.717831 9.768375 9.211081 9.889520 7.283625 9.350883 7.055694 6.331255 5.882157 4.987414 4.704450 8.630674 7.417602 2.400476 1.384813 2.778800 0.000000 7.628303 2.698851 7.916783 8.722897 3.664551 6.767585 5.866345 5.999279 7.578115 8.937523 7.725049 9.182093 6.306990 8.798744 6.218031 5.419652 5.289174 4.320917 4.236176 6.819998 5.346166 2.398780 2.773257 1.385051 2.404751 0.000000 8.629787 1.727681 8.929831 9.742953 4.127770 8.043432 7.197606 7.276335 8.650765 9.837368 8.940877 10.075450 7.310174 9.529639 7.185688 6.340614 6.131543 5.111663 4.981614 8.068539 6.697506 2.765176 2.395671 2.399177 1.385437 1.385686 0.000000 5.748266 12.199434 2.043965 2.850568 8.013423 4.728077 5.932336 6.024338 3.004173 1.095613 3.896815 2.172810 4.159582 2.143748 5.298950 4.552892 6.470470 5.866452 6.708626 4.814543 6.548565 8.775898 9.818869 8.799853 10.782450 9.857729 10.793116 0.000000 2.795007 10.538649 3.326824 2.610831 6.321508 2.049321 2.500231 4.191294 2.167524 4.308236 1.087575 3.968825 2.827455 5.567730 3.052137 3.960372 4.259879 4.962174 5.075774 3.323860 3.738966 7.055252 8.410843 6.730611 9.342395 7.863180 9.095931 4.719911 0.000000 4.262819 11.281782 2.571818 2.628142 7.402322 2.078503 3.230664 3.974970 2.151321 3.528947 1.090999 3.683009 3.454828 4.899816 4.239758 4.321662 5.514073 5.580064 6.077857 2.766625 4.106702 8.046827 9.360562 7.666670 10.225932 8.699702 9.924243 3.587202 1.767430 0.000000 4.560580 12.723611 3.196422 2.038660 7.679901 5.480575 6.427957 7.271130 3.151595 2.205238 4.250945 1.089703 4.042449 3.170745 4.632324 4.901976 5.821935 6.039127 6.433558 6.092329 7.381038 8.731727 9.762902 9.012692 10.927121 10.258305 11.145343 2.386298 4.591358 4.191374 0.000000 3.848052 11.209211 2.906836 2.075852 6.049356 5.141571 5.855523 6.771803 2.708134 2.184802 4.161124 1.097950 2.908100 2.615033 3.432766 3.585128 4.402703 4.522476 4.869579 5.784096 6.746105 7.126732 8.083051 7.548355 9.278194 8.811888 9.597785 3.034260 4.497900 4.525800 1.775150 0.000000 6.498269 11.831212 3.369546 4.121181 7.575307 6.270646 7.243084 7.304062 4.259905 2.147363 5.614319 2.846172 4.681443 1.091104 5.705522 4.636033 6.522473 5.596918 6.474280 6.322872 7.759846 8.361148 9.130524 8.703925 10.133415 9.743570 10.407464 2.473260 6.364830 5.673732 3.125297 2.823732 0.000000 5.529876 10.107988 2.730715 3.718137 5.869452 5.285003 6.041320 6.189461 3.430262 2.163762 4.865648 2.789779 3.351228 1.090521 4.390714 3.016688 5.017795 3.856757 4.791910 5.392107 6.496295 6.604712 7.390417 6.954702 8.388487 8.000010 8.656059 3.062222 5.586527 5.239406 3.582110 2.450992 1.765118 0.000000 6.693191 10.805527 2.717391 4.368005 7.238848 5.386840 6.377570 5.989043 3.955283 2.161893 5.098092 3.498288 4.357011 1.089319 5.626992 3.966729 6.396848 4.979529 6.120366 5.122535 6.641731 7.783838 8.594652 7.895156 9.429186 8.788240 9.510216 2.492000 6.030192 5.170577 4.102265 3.668405 1.758126 1.768134 0.000000 4.866818 8.110932 2.341294 3.854728 4.525612 3.331084 3.800154 3.784364 2.700026 3.203504 3.593856 3.884591 2.136060 3.136160 3.357259 1.080273 3.833876 2.122289 3.359250 3.320170 3.997525 4.939938 5.978420 4.846528 6.795602 5.817790 6.718108 4.090085 4.347237 4.275062 4.950071 3.819447 4.188795 2.653103 3.177879 0.000000 2.771226 8.068216 5.797307 5.045570 2.561126 5.379834 4.810148 6.570019 4.710273 6.378611 5.211890 5.659915 3.403949 6.743718 2.146222 3.834922 1.081196 3.380995 2.139620 6.391229 5.630788 3.743685 4.818887 4.260399 6.047179 5.613646 6.377151 7.371922 4.819219 6.254980 6.478373 5.113532 7.417862 5.973956 7.415920 4.914986 0.000000 5.575661 6.013284 4.705618 5.691935 2.684278 4.960826 4.775479 4.950362 4.662351 5.405133 5.449674 5.742479 3.403937 5.024251 3.848349 2.139530 3.387898 1.081883 2.153304 5.052631 4.745766 2.750323 3.597155 2.944165 4.406072 3.882936 4.517791 6.395336 5.890202 6.349368 6.811889 5.286497 5.906737 4.151600 5.112494 2.439789 4.281626 0.000000 6.083587 9.928351 2.861975 4.530390 7.352431 2.131972 3.214904 2.134781 3.386527 4.120882 2.847204 5.080312 4.117917 4.873115 5.285833 4.078614 6.194647 5.193680 6.150674 1.078410 3.131452 7.577160 8.777910 6.936429 9.350862 7.643677 8.832568 4.215828 3.823058 2.758252 5.836892 5.730630 5.855244 5.172697 4.575302 3.496781 7.141828 5.531965 0.000000 5.966062 7.073749 5.617473 6.448578 5.688755 3.105535 2.089609 2.140959 5.189044 7.014851 4.431865 7.382840 4.766364 7.596285 5.072848 4.556863 5.198451 4.699086 5.013831 3.114989 1.078756 5.455279 6.688503 4.317341 6.973425 4.746473 6.121843 7.585287 4.580665 5.134063 8.340449 7.594852 8.670567 7.306512 7.537954 4.721971 5.790834 4.976089 4.143309 0.000000 7.472917 4.843274 8.427986 8.746183 2.560557 8.385445 7.765117 8.420851 8.027099 8.932866 8.780404 8.813528 6.521865 8.468557 6.114866 5.735924 4.856163 4.370479 3.800042 8.742424 7.795024 2.140368 1.081818 3.384870 2.144557 3.855055 3.379063 10.008184 8.846989 9.814342 9.771477 8.037013 9.106422 7.419580 8.754664 6.370729 4.907422 4.030092 9.401964 7.583461 0.000000 5.571857 4.835995 6.169659 6.741861 2.687793 4.863765 3.925457 4.586576 5.629664 7.251037 5.706688 7.354651 4.379069 7.372580 4.221227 3.754678 3.458355 2.876433 2.675045 5.183737 3.718003 2.154774 3.392530 1.082538 3.861275 2.137153 3.377135 8.165606 5.761851 6.724125 8.410362 7.070776 8.346619 6.644870 7.506284 4.351234 3.900750 2.956061 6.086868 3.334051 4.284187 0.000000 9.442152 2.845331 9.946621 10.613484 4.487091 9.543282 8.801670 9.028973 9.684688 10.622015 10.239900 10.744869 8.241167 10.105433 8.006735 7.262293 6.804974 5.907286 5.629672 9.653197 8.479371 3.380571 2.141278 3.859801 1.081002 3.384645 2.143966 11.643005 10.382276 11.250224 11.766390 10.079763 10.833319 9.116953 10.170730 7.693707 6.921816 5.270257 10.340170 8.029032 2.471566 4.942266 0.000000 8.010481 2.844379 8.103649 9.016811 4.548286 6.652471 5.699380 5.615598 7.797039 9.232603 7.753655 9.565734 6.658519 9.184802 6.659302 5.806825 5.876473 4.887299 4.925340 6.592258 4.988792 3.378840 3.854298 2.139365 3.384304 1.081042 2.143703 10.083445 7.908366 8.673287 10.644183 9.308243 10.180870 8.476617 9.096490 6.107112 6.238447 4.482294 7.440383 4.248493 4.936095 2.456148 4.277394 0.000000 C19H17Cl2N3O3 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 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2911790 0.0873360 0.0811359 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 10.407964 0.000000 4.588753 10.425287 0.000000 3.046043 11.445924 2.263365 0.000000 5.028946 5.907303 6.344678 6.461397 0.000000 4.270962 9.526675 2.941933 3.670410 6.123891 0.000000 4.199955 8.745578 4.090384 4.538363 5.586401 1.359647 0.000000 6.155662 8.392988 4.234037 5.638968 6.480367 2.193982 2.264516 0.000000 3.193436 10.271565 1.428886 1.411457 5.717665 2.469216 3.379843 4.288695 0.000000 5.115536 11.432485 1.446842 2.319895 7.066212 4.327998 5.471034 5.659056 2.340200 0.000000 3.459729 10.532138 2.403787 2.378358 6.398448 1.450950 2.447107 3.606415 1.537719 3.520198 0.000000 4.106117 11.747507 2.328952 1.426231 6.769682 4.673572 5.631416 6.378646 2.255607 1.534426 3.552624 0.000000 2.773124 8.989676 2.429301 2.462823 4.185682 2.910148 3.280229 4.351095 1.534471 3.289608 2.544006 3.048674 0.000000 6.109760 11.122600 2.438379 3.638781 7.055409 5.329117 6.382979 6.251885 3.492157 1.517520 4.785604 2.575323 3.954874 0.000000 1.760074 8.940440 3.751732 3.059160 3.635774 3.668931 3.604564 5.177863 2.586567 4.460507 3.253686 3.816697 1.401275 5.148647 0.000000 4.041790 7.952918 2.733546 3.617402 3.676863 3.363881 3.656238 4.087391 2.530742 3.632115 3.486417 3.826171 1.398624 3.803566 2.389035 0.000000 2.681959 7.915944 4.858252 4.405627 2.356482 4.605583 4.230501 5.701141 3.862999 5.569804 4.492676 4.989267 2.437207 5.996465 1.390843 2.768452 0.000000 4.539601 6.771391 4.116395 4.816563 2.431180 4.364831 4.276515 4.721740 3.828083 4.926063 4.667016 4.999218 2.441740 4.879679 2.781988 1.388135 2.415710 0.000000 3.988812 6.751886 4.997071 5.126400 1.377755 4.888803 4.520809 5.488097 4.340741 5.758413 5.068465 5.483949 2.809718 5.880338 2.402242 2.394371 1.389835 1.392547 0.000000 5.511387 9.311900 3.083486 4.508432 6.614756 1.352278 2.214237 1.320821 3.220389 4.491592 2.531727 5.233700 3.658112 5.252044 4.659253 3.647045 5.464068 4.621893 5.437389 0.000000 5.415272 8.029486 4.661449 5.580736 5.826703 2.091312 1.322050 1.362754 4.286699 6.103546 3.483477 6.517111 4.091282 6.814990 4.565952 4.034685 4.963024 4.474631 4.909118 2.096248 0.000000 6.177776 4.527159 7.013530 7.464515 1.382589 6.551388 5.906717 6.444040 6.541513 7.857286 7.091770 7.775633 5.057673 7.746401 4.717204 4.289910 3.535884 2.943682 2.387351 6.829301 5.841459 0.000000 7.382375 4.022958 8.145566 8.633445 2.363676 7.892642 7.282812 7.679232 7.764956 8.878745 8.416619 8.806170 6.271180 8.589015 5.939673 5.418231 4.709173 4.031337 3.560001 8.095443 7.153104 1.392065 0.000000 6.389374 4.024500 6.918144 7.584048 2.434067 5.980749 5.199435 5.526789 6.486170 7.961173 6.772897 8.043960 5.130952 7.962747 4.943511 4.335269 3.967722 3.175242 2.920023 6.133347 4.894125 1.394711 2.421222 0.000000 8.581702 2.728932 9.070485 9.762030 3.645646 8.638138 7.964297 8.092328 8.785813 9.882917 9.332531 9.950401 7.342341 9.539354 7.113098 6.383579 5.930293 5.027682 4.744773 8.688263 7.622722 2.408926 1.391859 2.795411 0.000000 7.743383 2.728796 7.980616 8.843770 3.690247 6.930700 6.114613 6.082005 7.674550 9.061620 7.878454 9.278011 6.391915 8.972764 6.303000 5.488533 5.359257 4.365537 4.282629 6.891268 5.554032 2.407930 2.790987 1.391958 2.422166 0.000000 8.728600 1.759463 8.985493 9.844235 4.148079 8.205029 7.447388 7.373360 8.734598 9.953986 9.083951 10.150780 7.382462 9.702817 7.256294 6.401457 6.188651 5.152742 5.022263 8.142774 6.915625 2.767708 2.403409 2.406154 1.391749 1.391939 0.000000 5.804080 12.336849 2.055983 2.810548 8.110847 4.677532 5.939005 5.999082 2.989643 1.095338 3.818227 2.171453 4.198175 2.160602 5.351183 4.605186 6.539340 5.938682 6.783595 4.749268 6.556479 8.875206 9.922898 8.898365 10.894366 9.964172 10.901831 0.000000 2.785364 10.744565 3.343916 2.616912 6.377291 2.060914 2.513782 4.227034 2.165981 4.311241 1.087027 3.989582 2.842035 5.612912 3.061773 3.994725 4.287325 5.004905 5.111597 3.353357 3.767563 7.158048 8.508644 6.875371 9.473187 8.035878 9.254084 4.636527 0.000000 4.284602 11.465372 2.561932 2.612375 7.449896 2.092500 3.253897 4.026030 2.140481 3.468907 1.090109 3.661378 3.465183 4.849847 4.255535 4.340946 5.540777 5.607765 6.104461 2.811554 4.146403 8.130810 9.441495 7.787704 10.337232 8.848341 10.060959 3.440818 1.780856 0.000000 4.671933 12.820473 3.237374 2.046619 7.731145 5.516429 6.509835 7.303699 3.181327 2.212861 4.271159 1.089095 4.075018 3.174717 4.695951 4.911844 5.882519 6.060192 6.474062 6.101151 7.451456 8.790286 9.798024 9.098698 10.972842 10.348807 11.211128 2.407844 4.607122 4.182690 0.000000 3.992817 11.247643 2.870011 2.081903 6.085576 5.138879 5.925893 6.732898 2.691352 2.185503 4.152217 1.097568 2.904914 2.659227 3.498962 3.535793 4.465384 4.498436 4.891290 5.714779 6.781316 7.153328 8.087562 7.589079 9.283545 8.848207 9.612319 3.052549 4.502496 4.484784 1.788207 0.000000 6.722638 12.021902 3.384612 4.168291 7.823919 6.319277 7.393392 7.325337 4.328383 2.155663 5.640350 2.873860 4.832373 1.094196 5.909923 4.774956 6.754841 5.779037 6.696698 6.288916 7.881590 8.580314 9.347660 8.901573 10.335595 9.927266 10.590860 2.504224 6.404900 5.615503 3.128851 2.904955 0.000000 5.778743 10.277159 2.707727 3.780954 6.121188 5.358624 6.233466 6.206925 3.502571 2.158129 4.921141 2.804128 3.518127 1.092450 4.618332 3.157842 5.270491 4.041105 5.026114 5.351284 6.642852 6.817983 7.593305 7.146631 8.571482 8.171631 8.821674 3.068521 5.666495 5.216608 3.576565 2.477456 1.777003 0.000000 6.870156 11.012333 2.701185 4.394493 7.483106 5.405812 6.501492 5.983574 4.000407 2.158312 5.095128 3.509879 4.495524 1.091790 5.801012 4.121208 6.603755 5.175170 6.334888 5.053126 6.740811 8.005491 8.829242 8.087499 9.653443 8.972412 9.708044 2.496385 6.040721 5.081264 4.106196 3.701221 1.770181 1.774416 0.000000 4.902422 8.224720 2.305068 3.841329 4.562712 3.395063 3.957755 3.821259 2.684705 3.224249 3.620493 3.848138 2.132382 3.205374 3.365562 1.080911 3.849303 2.139083 3.375140 3.303158 4.132142 4.989012 6.030896 4.912895 6.865537 5.900634 6.796952 4.116331 4.369274 4.276873 4.920474 3.713802 4.254992 2.688920 3.283223 0.000000 2.799364 8.147674 5.840708 5.111729 2.560917 5.406145 4.877291 6.539605 4.739200 6.498981 5.245172 5.759166 3.418042 6.971211 2.155754 3.849721 1.081341 3.391293 2.141407 6.360393 5.655344 3.778364 4.841159 4.313182 6.083954 5.673415 6.422907 7.446215 4.849964 6.287968 6.557300 5.206894 7.669404 6.242162 7.631401 4.930545 0.000000 5.621398 6.060291 4.715127 5.724594 2.694291 5.034614 4.945621 4.963287 4.682085 5.492023 5.502393 5.766935 3.419727 5.193747 3.864138 2.152564 3.396956 1.082185 2.152845 5.033784 4.878205 2.749001 3.611211 2.940547 4.427872 3.892668 4.532811 6.483686 5.940186 6.385238 6.830402 5.250686 6.085524 4.313356 5.320847 2.474462 4.284419 0.000000 6.058980 9.971052 2.746105 4.493325 7.267622 2.135165 3.238524 2.151005 3.319546 4.009159 2.857234 5.000659 4.030866 4.708926 5.211350 3.966901 6.111544 5.080067 6.046239 1.078135 3.154554 7.512838 8.720505 6.900827 9.322187 7.640669 8.825868 4.098070 3.848577 2.810280 5.797778 5.583712 5.701593 4.988820 4.369026 3.373225 7.066988 5.422130 0.000000 5.970235 7.413744 5.675632 6.518298 5.830025 3.131852 2.100236 2.153690 5.242687 7.110360 4.469488 7.470475 4.849327 7.754750 5.122254 4.698268 5.270116 4.855520 5.130278 3.137551 1.079356 5.656848 6.923661 4.546448 7.252380 5.029819 6.417186 7.608637 4.609677 5.171764 8.422930 7.653836 8.829471 7.496842 7.675568 4.888334 5.836169 5.159948 4.167710 0.000000 7.498528 4.888296 8.441739 8.770651 2.560167 8.468438 7.939004 8.453587 8.043665 9.022990 8.836335 8.835457 6.531211 8.663856 6.121516 5.748207 4.859000 4.381744 3.808751 8.743935 7.938003 2.139594 1.082804 3.394350 2.159578 3.873606 3.393469 10.097669 8.902336 9.856609 9.771351 8.016988 9.323648 7.620026 8.994029 6.400014 4.900167 4.037820 9.317030 7.791837 0.000000 5.679775 4.879852 6.224205 6.860166 2.691579 4.993047 4.139884 4.609412 5.714778 7.369029 5.839457 7.456528 4.452929 7.545282 4.298144 3.806632 3.518838 2.897041 2.699484 5.213292 3.865489 2.153487 3.401313 1.082734 3.878127 2.151101 3.390170 8.251613 5.916174 6.851992 8.508327 7.120134 8.530146 6.827014 7.673134 4.409364 3.952441 2.934212 6.053309 3.538681 4.284183 0.000000 9.520176 2.864462 9.993193 10.687252 4.514949 9.689233 9.040483 9.121444 9.749674 10.735029 10.358864 10.798212 8.297710 10.294586 8.061672 7.314464 6.851947 5.950153 5.672386 9.713750 8.690033 3.393487 2.153384 3.877671 1.082290 3.400314 2.149320 11.759140 10.508880 11.357922 11.802274 10.078066 11.037216 9.297005 10.403222 7.764485 6.957424 5.299379 10.311606 8.314444 2.499190 4.960391 0.000000 8.148662 2.863723 8.185256 9.164796 4.578932 6.843040 5.968473 5.723945 7.917947 9.366979 7.937954 9.682404 6.764538 9.352326 6.764216 5.891699 5.961263 4.940825 4.979694 6.693929 5.220734 3.392479 3.873295 2.151628 3.400147 1.082338 2.149261 10.196882 8.116916 8.856995 10.760027 9.361094 10.355524 8.639146 9.264531 6.205727 6.312865 4.497039 7.473830 4.559817 4.955938 2.483183 4.289622 0.000000 C19H17Cl2N3O3 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 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2842411 0.0846861 0.0794411 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= 731 731 731 731 731 MxSgAt= 44 MxSgA2= 44. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2762.6091665205 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0537858392 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.9229052428 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0540417907 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2767.0331558675 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0542072899 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2765.9370317237 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0541176242 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2766.5386981631 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0540897979 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2766.7227058398 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0540596110 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2766.4925443328 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0540308158 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2765.8804312062 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0539891003 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2765.2188344113 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0539424600 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.9679017988 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0539224118 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.8031462489 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0539082028 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.6420223471 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538955903 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.5692800062 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538890504 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.5114730600 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538852861 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.4702294633 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538825682 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.4406570650 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538813823 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.4088213678 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538805884 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.3752253788 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538807813 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.3259522841 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538805653 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.2587292947 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538790513 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.1737471102 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538756408 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.1005750438 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538718477 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= 712 RedAO= T EigKep= 1.25D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 7.16D-07 NBFU= 709 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= 727 727 727 727 727 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.33145235744 -2044.56667327192 -0.235220914479 -2044.88505574917 -0.318382477254 -2044.91523681419 -0.030181065017 -2044.93748189815 -0.022245083956 -2044.93840435094 -0.000922452791 -2044.93855417133 -0.000149820391 -2044.93856436146 -0.000010190131 -2044.93856538274 -0.000001021279 -2044.93856567262 -0.000000289883 -2044.93856568905 -0.000000016425 -2044.93856569020 -0.000000001157 -2044.93856569025 -0.000000000044 -2044.93856569018 0.000000000066 -2044.93856569042 -0.000000000239 -2044.93856569020 0.000000000223 -2044.93856569 16 2.039058218496e+03 -1.039401183076e+04 3.517294919834e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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. 1.36570122e+00 -9.66690337e-01 1.09489784e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 17 17 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.007911079 0.004686579 -0.011932501 -0.012096435 0.004464525 0.006984805 -0.003578617 0.005600719 0.014558595 0.010345420 0.004533644 -0.011129412 -0.001431143 -0.006579917 -0.010515358 0.012056729 -0.004037935 0.000481120 -0.006084787 0.002892529 -0.018531467 -0.008403279 0.004062129 0.012577404 -0.008234284 0.007540410 -0.003189862 0.006601365 -0.008943330 0.002747244 0.007814849 0.002305122 -0.004109607 0.005215348 -0.011765746 -0.000055885 -0.001024198 -0.001329249 0.000690213 -0.002237014 -0.003358316 0.002203917 -0.003479477 -0.001559082 0.002692655 -0.000073151 -0.000871610 0.005742772 -0.001653512 -0.000886325 -0.004590372 -0.001985993 -0.002001835 0.004718504 0.006446178 0.002530472 0.001483102 0.011973397 -0.005125822 0.011468609 -0.016480690 0.008298353 -0.000399963 -0.005634175 0.001107944 0.004303248 -0.000988133 -0.004460454 -0.002593443 0.003653564 0.004334659 -0.000180690 -0.003823950 -0.004081910 -0.000457646 0.000984398 0.005119458 0.002154887 0.005284534 -0.001806556 -0.003144594 0.000056003 0.001408539 -0.000235779 -0.000666391 -0.001528859 -0.000565606 -0.000018409 -0.002150677 0.000851812 0.000438672 0.000924478 -0.000379507 -0.001574989 0.000951905 -0.000185728 0.001837272 -0.001671368 -0.000441228 -0.001204725 0.000880262 -0.001116479 -0.000218909 0.001515908 0.001660870 0.001955249 0.000314694 0.000298917 -0.000831965 -0.000058254 -0.000031710 -0.001198001 0.000198685 -0.000649958 0.000455997 -0.000883654 -0.000768633 -0.000601794 0.000206347 -0.000204180 0.001349689 -0.000535491 -0.000666649 0.000874842 -0.000897072 -0.000477046 -0.001177005 -0.000302430 0.000300929 -0.000553561 0.000958530 0.000633698 0.018531467 0.005152919 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2044.94345350303 -2044.94345795207 -0.000004449043 -2044.94345793146 0.000000020618 -2044.94345800376 -0.000000072299 -2044.94345800514 -0.000000001388 -2044.94345800595 -0.000000000804 -2044.94345800597 -0.000000000025 -2044.94345800619 -0.000000000222 -2044.94345800602 0.000000000169 -2044.94345800586 0.000000000162 -2044.94345801 10 2.038246057883e+03 -1.033609713309e+04 3.488860914002e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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) PT279496.400S Mon Jul 5 13:39:34 2021 1.34425187e+00 -1.00879500e+00 1.22173281e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -2044.943458 2.114E-9 3.776E-6 5.5265283,1.52959,-7.0561183,-3.4008608,9.0647942,-4.3716339 C01 [X(C19H17Cl2N3O3)] 1.3304089 -1.5722824 0.2743205 0.000004718 0.000003877 -0.000003529 -0.000008634 0.000002886 0.000005316 0.000002447 -0.000001388 0.000007836 0.000003480 0.000001536 -0.000006078 0.000000287 0.000000510 0.000002333 -0.000010693 -0.000004854 0.000007455 0.000002308 0.000001490 -0.000005190 -0.000004258 0.000002292 0.000003146 -0.000005024 -0.000004435 -0.000002851 -0.000005199 0.000001631 -0.000008103 0.000000251 0.000001167 -0.000001904 0.000000970 0.000002782 0.000008079 0.000014880 0.000006261 0.000005000 0.000002142 0.000002421 0.000001514 -0.000002824 -0.000001438 -0.000001516 -0.000002044 -0.000001726 0.000001718 0.000002705 0.000002334 -0.000007191 -0.000004208 0.000000493 -0.000001926 -0.000006721 -0.000002911 -0.000000280 0.000006102 0.000000618 -0.000002014 0.000004036 -0.000001525 0.000003534 0.000003724 0.000003216 -0.000002023 -0.000003978 -0.000002892 -0.000000073 0.000009535 -0.000005085 -0.000005390 -0.000006126 -0.000005128 -0.000000965 -0.000009088 0.000004883 0.000005882 0.000008211 0.000002551 -0.000001915 0.000001728 -0.000001044 0.000001482 0.000002036 0.000001976 -0.000000704 0.000001549 -0.000000013 -0.000001696 -0.000000373 -0.000003165 -0.000003077 0.000000414 -0.000001421 -0.000002401 0.000000159 -0.000002563 -0.000000536 -0.000001697 -0.000001436 -0.000000727 -0.000000371 -0.000002333 0.000000855 -0.000001230 -0.000000219 0.000001682 -0.000000617 0.000000488 0.000001134 0.000000657 -0.000000628 0.000001342 -0.000000928 -0.000001092 0.000002508 -0.000000472 -0.000000303 0.000000398 0.000001346 0.000000265 -0.000001495 0.000000099 0.000001229 0.000000368 -0.000000004 0.000000566 -0.000000519 0.000000702 0.000000128 0.000000520 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-CIBELES2-315 PAULAPLA Optimization difenoconazole_RR CONF7 gas EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] 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 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization difenoconazole_RR CONF7 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 3 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/gas/CONF7/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 1 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 17 18 18 20 21 22 22 23 23 24 24 25 25 26 26 15 27 9 10 9 12 19 22 7 11 20 21 20 21 11 13 12 14 28 29 30 31 32 15 16 33 34 35 17 18 36 19 37 19 38 39 40 23 24 25 41 26 42 27 43 27 44 1.7601 1.7595 1.4289 1.4468 1.4115 1.4262 1.3778 1.3826 1.3596 1.4509 1.3523 1.322 1.3208 1.3628 1.5377 1.5345 1.5344 1.5175 1.0953 1.087 1.0901 1.0891 1.0976 1.4013 1.3986 1.0942 1.0924 1.0918 1.3908 1.3881 1.0809 1.3898 1.0813 1.3925 1.0822 1.0781 1.0794 1.3921 1.3947 1.3919 1.0828 1.392 1.0827 1.3917 1.0823 1.3919 1.0823 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 9 9 19 7 7 11 6 20 3 3 3 4 4 11 3 3 3 12 12 14 6 6 6 9 9 29 4 4 4 10 10 31 9 9 15 10 10 10 33 33 34 1 1 13 13 13 18 15 15 19 16 16 19 5 5 17 6 6 8 7 7 8 5 5 23 22 22 25 22 22 26 23 23 27 24 24 27 2 2 25 3 4 5 6 6 6 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 10 12 22 11 20 20 21 21 4 11 13 11 13 13 12 14 28 14 28 28 9 29 30 29 30 30 10 31 32 31 32 32 15 16 16 33 34 35 34 35 35 13 17 17 18 36 36 19 37 37 19 38 38 17 18 18 8 39 39 8 40 40 23 24 24 25 41 41 26 42 42 27 43 43 27 44 44 25 26 26 108.9315 105.2857 119.7367 121.0394 109.468 129.116 102.484 102.7189 105.6616 108.1912 110.0747 107.4236 113.3765 111.8031 102.7007 110.6621 107.1373 115.0925 110.2051 110.5247 111.3862 107.7273 110.0582 110.034 107.8696 109.7663 103.1173 108.1628 110.4827 113.9387 111.1864 109.7255 123.4775 119.198 117.1355 110.2007 110.5009 110.555 108.7135 108.1499 108.6567 122.2036 116.1869 121.5916 122.3726 118.0656 119.5587 119.5158 120.874 119.6001 118.8746 120.7353 120.3835 116.7402 122.7044 120.504 110.3171 122.528 127.1484 115.0055 121.6649 123.327 116.8333 122.4252 120.6448 119.8336 119.1307 121.0355 119.5576 120.2166 120.2254 119.4044 120.4853 120.1095 119.6083 120.3064 120.084 119.5372 119.5157 120.9471 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 10 10 10 9 9 9 12 12 12 9 9 9 22 22 19 19 11 20 7 7 7 20 20 20 7 7 11 11 6 6 21 21 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 11 11 3 3 3 14 14 14 28 28 28 3 3 3 12 12 12 28 28 28 9 9 16 16 9 9 15 15 1 1 13 13 13 13 36 36 15 15 37 37 16 16 38 38 5 5 24 24 5 5 23 23 22 22 41 41 22 22 42 42 23 23 43 43 24 24 44 44 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 9 9 9 10 10 10 9 9 9 12 12 12 19 19 22 22 7 7 11 11 11 11 11 11 20 20 20 20 21 21 20 20 21 21 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 4 11 13 12 14 28 3 11 13 10 31 32 17 18 23 24 21 21 9 29 30 9 29 30 8 39 8 39 8 40 6 39 7 40 6 29 30 6 29 30 6 29 30 15 16 15 16 15 16 4 31 32 4 31 32 4 31 32 33 34 35 33 34 35 33 34 35 1 17 1 17 18 36 18 36 19 37 19 37 19 38 19 38 5 18 5 18 5 17 5 17 25 41 25 41 26 42 26 42 27 43 27 43 27 44 27 44 2 26 2 26 2 25 2 25 -18.2193 -133.0204 104.5449 -4.7887 -128.1278 111.3145 35.4362 150.7645 -85.1974 -37.7359 -158.7284 81.157 -140.227 42.372 -145.1792 38.3777 174.3323 0.7655 -101.3581 19.4016 139.0506 70.8165 -168.4238 -48.7748 -0.8275 178.3083 -173.7199 5.4159 -0.4842 178.9496 0.4903 -178.5956 0.0103 -179.4129 -68.7787 171.8238 52.103 177.5836 58.1862 -61.5347 52.5935 -66.804 173.4752 -169.0425 16.1022 -50.9378 134.2068 70.6805 -104.1749 25.6522 142.63 -92.7505 145.9794 -97.0429 27.5766 -88.2266 28.7512 153.3707 -179.2105 60.6203 -59.7081 64.9373 -55.2319 -175.5602 -60.6918 179.139 58.8107 3.0782 -175.3274 178.0321 -0.3736 175.4384 -3.9162 0.2595 -179.095 -177.8143 1.02 0.6823 179.5166 -0.4504 -179.517 178.8949 -0.1718 -178.3292 -0.8674 2.8215 -179.7168 178.0562 0.7501 -2.8738 179.8202 -176.7582 3.0668 -0.2478 179.5771 177.0045 -3.2456 0.6938 -179.5563 -0.3059 -179.9778 179.8726 0.2007 -0.5807 179.8423 179.6693 0.0924 -179.5339 0.4168 0.1392 -179.9101 179.9798 0.0291 -0.4424 179.6069 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00074 0.00120 0.00271 0.00301 0.00403 0.00780 0.00870 0.01022 0.01100 0.01482 0.01700 0.01749 0.01769 0.01797 0.01859 0.02054 0.02149 0.02284 0.02338 0.02436 0.02447 0.02628 0.02646 0.02714 0.02889 0.02935 0.03137 0.03562 0.03628 0.03675 0.04262 0.04274 0.04483 0.04640 0.04677 0.05110 0.05319 0.05787 0.05914 0.07015 0.07242 0.07910 0.08572 0.09131 0.10355 0.10568 0.10769 0.10891 0.11070 0.11369 0.11468 0.11561 0.11586 0.11626 0.11868 0.12189 0.12368 0.12457 0.14202 0.14943 0.15686 0.16011 0.16094 0.17355 0.17665 0.17792 0.18273 0.19251 0.19385 0.19639 0.20765 0.21268 0.21364 0.21923 0.22700 0.23438 0.24098 0.24490 0.24790 0.25091 0.25440 0.25780 0.27829 0.28148 0.28669 0.29477 0.30787 0.31273 0.31525 0.32608 0.32953 0.33345 0.33597 0.33793 0.34043 0.34255 0.34334 0.34884 0.35272 0.35858 0.35966 0.36115 0.36197 0.36258 0.36328 0.36525 0.36707 0.36935 0.37270 0.38379 0.38839 0.40510 0.41204 0.41313 0.43072 0.44901 0.45966 0.46249 0.46622 0.46822 0.48868 0.50956 0.51043 0.52219 0.52597 0.60050 Angle between quadratic step and forces= 75.25 degrees. 1 2 0.00028849 0.00000003 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 3.32606 3.32490 2.70020 2.73414 2.66727 2.69519 2.60358 2.61271 2.56936 2.74190 2.55544 2.49831 2.49599 2.57523 2.90587 2.89973 2.89964 2.86770 2.06989 2.05418 2.06001 2.05809 2.07410 2.64803 2.64302 2.06773 2.06443 2.06318 2.62831 2.62320 2.04263 2.62641 2.04344 2.63153 2.04503 2.03738 2.03969 2.63062 2.63562 2.63023 2.04620 2.63042 2.04607 2.63002 2.04523 2.63038 2.04532 1.90121 1.83758 2.08980 2.11254 1.91058 2.25350 1.78868 1.79278 1.84414 1.88829 1.92117 1.87489 1.97879 1.95133 1.79247 1.93142 1.86990 2.00874 1.92344 1.92902 1.94406 1.88020 1.92088 1.92046 1.88268 1.91578 1.79974 1.88780 1.92829 1.98861 1.94057 1.91507 2.15509 2.08040 2.04440 1.92337 1.92860 1.92955 1.89741 1.88757 1.89642 2.13286 2.02784 2.12217 2.13581 2.06063 2.08669 2.08594 2.10965 2.08742 2.07475 2.10723 2.10109 2.03750 2.14160 2.10319 1.92540 2.13852 2.21916 2.00722 2.12345 2.15246 2.03913 2.13672 2.10565 2.09149 2.07922 2.11247 2.08667 2.09817 2.09833 2.08400 2.10286 2.09631 2.08756 2.09974 2.09586 2.08632 2.08594 2.11092 -0.31799 -2.32164 1.82465 -0.08358 -2.23625 1.94280 0.61848 2.63134 -1.48697 -0.65862 -2.77033 1.41646 -2.44742 0.73953 -2.53385 0.66982 3.04267 0.01336 -1.76903 0.33862 2.42689 1.23598 -2.93955 -0.85128 -0.01444 3.11207 -3.03198 0.09453 -0.00845 3.12326 0.00856 -3.11708 0.00018 -3.13134 -1.20042 2.99889 0.90937 3.09942 1.01554 -1.07398 0.91793 -1.16595 3.02771 -2.95035 0.28104 -0.88903 2.34235 1.23361 -1.81819 0.44772 2.48936 -1.61880 2.54782 -1.69372 0.48130 -1.53984 0.50180 2.67682 -3.12781 1.05802 -1.04210 1.13337 -0.96398 -3.06410 -1.05927 3.12657 1.02644 0.05373 -3.06004 3.10725 -0.00652 3.06198 -0.06835 0.00453 -3.12580 -3.10345 0.01780 0.01191 3.13316 -0.00786 -3.13316 3.12230 -0.00300 -3.11243 -0.01514 0.04924 -3.13665 3.10767 0.01309 -0.05016 3.13845 -3.08501 0.05352 -0.00432 3.13421 3.08931 -0.05665 0.01211 -3.13385 -0.00534 -3.14120 3.13937 0.00350 -0.01014 3.13884 3.13582 0.00161 -3.13346 0.00727 0.00243 -3.14002 3.14124 0.00051 -0.00772 3.13473 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00003 0.00005 0.00003 -0.00001 0.00002 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00003 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00002 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00003 0.00000 0.00002 -0.00000 -0.00001 -0.00000 -0.00001 -0.00002 0.00002 -0.00002 0.00001 0.00004 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00002 -0.00001 -0.00000 0.00001 0.00003 0.00000 -0.00003 -0.00001 0.00001 -0.00001 0.00003 0.00001 -0.00003 0.00000 0.00003 -0.00002 0.00000 0.00000 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00002 0.00001 0.00001 0.00000 -0.00002 -0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00011 0.00010 0.00009 -0.00015 -0.00017 -0.00015 -0.00003 -0.00003 -0.00002 -0.00007 -0.00010 -0.00006 -0.00003 -0.00003 -0.00001 -0.00002 0.00021 -0.00004 -0.00017 -0.00015 -0.00018 0.00013 0.00016 0.00013 0.00004 0.00001 -0.00023 -0.00027 0.00002 0.00004 -0.00003 0.00001 -0.00000 -0.00002 0.00010 0.00010 0.00011 0.00009 0.00009 0.00011 0.00011 0.00010 0.00012 -0.00000 -0.00010 -0.00001 -0.00010 0.00000 -0.00009 0.00013 0.00015 0.00014 0.00015 0.00017 0.00015 0.00012 0.00014 0.00013 -0.00006 -0.00006 -0.00006 -0.00008 -0.00007 -0.00008 -0.00006 -0.00005 -0.00006 -0.00012 -0.00012 -0.00003 -0.00002 0.00011 0.00010 0.00002 0.00001 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00002 -0.00001 0.00003 0.00003 0.00002 0.00002 -0.00003 -0.00003 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00002 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00003 0.00005 0.00003 -0.00001 0.00002 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00003 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00002 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00003 0.00000 0.00002 -0.00000 -0.00001 -0.00000 -0.00001 -0.00002 0.00002 -0.00002 0.00001 0.00004 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00002 -0.00001 -0.00000 0.00001 0.00003 0.00000 -0.00003 -0.00001 0.00001 -0.00001 0.00003 0.00001 -0.00003 0.00000 0.00003 -0.00002 0.00000 0.00000 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00002 0.00001 0.00001 0.00000 -0.00002 -0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00011 0.00010 0.00009 -0.00015 -0.00017 -0.00015 -0.00003 -0.00003 -0.00002 -0.00007 -0.00010 -0.00006 -0.00003 -0.00003 -0.00001 -0.00002 0.00021 -0.00004 -0.00017 -0.00015 -0.00018 0.00013 0.00016 0.00013 0.00004 0.00001 -0.00023 -0.00027 0.00002 0.00004 -0.00003 0.00001 -0.00000 -0.00002 0.00010 0.00010 0.00011 0.00009 0.00009 0.00011 0.00011 0.00010 0.00012 -0.00000 -0.00010 -0.00001 -0.00010 0.00000 -0.00009 0.00013 0.00015 0.00014 0.00015 0.00017 0.00015 0.00012 0.00014 0.00013 -0.00006 -0.00006 -0.00006 -0.00008 -0.00007 -0.00008 -0.00006 -0.00005 -0.00006 -0.00012 -0.00012 -0.00003 -0.00002 0.00011 0.00010 0.00002 0.00001 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00002 -0.00001 0.00003 0.00003 0.00002 0.00002 -0.00003 -0.00003 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00002 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 3.32609 3.32495 2.70023 2.73413 2.66729 2.69520 2.60358 2.61272 2.56936 2.74191 2.55543 2.49832 2.49600 2.57523 2.90587 2.89971 2.89962 2.86770 2.06990 2.05419 2.06001 2.05810 2.07411 2.64805 2.64303 2.06774 2.06444 2.06319 2.62832 2.62321 2.04263 2.62643 2.04344 2.63153 2.04504 2.03738 2.03969 2.63064 2.63561 2.63024 2.04621 2.63045 2.04607 2.63004 2.04523 2.63038 2.04532 1.90121 1.83756 2.08982 2.11252 1.91059 2.25353 1.78867 1.79278 1.84415 1.88828 1.92117 1.87491 1.97877 1.95134 1.79247 1.93142 1.86991 2.00876 1.92343 1.92900 1.94405 1.88019 1.92089 1.92048 1.88268 1.91576 1.79973 1.88781 1.92828 1.98864 1.94058 1.91504 2.15509 2.08042 2.04438 1.92337 1.92861 1.92957 1.89740 1.88756 1.89641 2.13284 2.02784 2.12219 2.13582 2.06064 2.08668 2.08595 2.10965 2.08741 2.07476 2.10721 2.10110 2.03752 2.14160 2.10318 1.92539 2.13854 2.21914 2.00723 2.12344 2.15246 2.03913 2.13672 2.10565 2.09150 2.07920 2.11248 2.08668 2.09818 2.09832 2.08399 2.10287 2.09631 2.08755 2.09974 2.09587 2.08631 2.08594 2.11093 -0.31788 -2.32155 1.82474 -0.08372 -2.23642 1.94265 0.61845 2.63130 -1.48700 -0.65868 -2.77043 1.41639 -2.44746 0.73950 -2.53387 0.66980 3.04289 0.01332 -1.76920 0.33847 2.42671 1.23612 -2.93939 -0.85115 -0.01440 3.11208 -3.03222 0.09426 -0.00843 3.12330 0.00853 -3.11707 0.00018 -3.13136 -1.20031 2.99899 0.90948 3.09951 1.01563 -1.07388 0.91804 -1.16585 3.02783 -2.95035 0.28094 -0.88904 2.34225 1.23361 -1.81829 0.44785 2.48952 -1.61866 2.54797 -1.69355 0.48146 -1.53972 0.50194 2.67695 -3.12788 1.05797 -1.04217 1.13329 -0.96405 -3.06418 -1.05933 3.12651 1.02638 0.05360 -3.06016 3.10722 -0.00654 3.06209 -0.06825 0.00455 -3.12579 -3.10344 0.01782 0.01190 3.13317 -0.00785 -3.13319 3.12232 -0.00301 -3.11240 -0.01511 0.04926 -3.13663 3.10763 0.01306 -0.05016 3.13845 -3.08502 0.05351 -0.00432 3.13421 3.08932 -0.05663 0.01211 -3.13384 -0.00534 -3.14121 3.13937 0.00350 -0.01013 3.13884 3.13581 0.00160 -3.13345 0.00728 0.00244 -3.14002 3.14123 0.00050 -0.00772 3.13473 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.001464 0.000288 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.230556e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 17 18 18 20 21 22 22 23 23 24 24 25 25 26 26 15 27 9 10 9 12 19 22 7 11 20 21 20 21 11 13 12 14 28 29 30 31 32 15 16 33 34 35 17 18 36 19 37 19 38 39 40 23 24 25 41 26 42 27 43 27 44 1.7601 1.7595 1.4289 1.4468 1.4115 1.4262 1.3778 1.3826 1.3596 1.4509 1.3523 1.322 1.3208 1.3628 1.5377 1.5345 1.5344 1.5175 1.0953 1.087 1.0901 1.0891 1.0976 1.4013 1.3986 1.0942 1.0924 1.0918 1.3908 1.3881 1.0809 1.3898 1.0813 1.3925 1.0822 1.0781 1.0794 1.3921 1.3947 1.3919 1.0828 1.392 1.0827 1.3917 1.0823 1.3919 1.0823 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 9 9 19 7 7 11 6 20 3 3 3 4 4 11 3 3 3 12 12 14 6 6 6 9 9 29 4 4 4 10 10 31 9 9 15 10 10 10 33 33 34 1 1 13 13 13 18 15 15 19 16 16 19 5 5 17 6 6 8 7 7 8 5 5 23 22 22 25 22 22 26 23 23 27 24 24 27 2 2 25 3 4 5 6 6 6 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 10 12 22 11 20 20 21 21 4 11 13 11 13 13 12 14 28 14 28 28 9 29 30 29 30 30 10 31 32 31 32 32 15 16 16 33 34 35 34 35 35 13 17 17 18 36 36 19 37 37 19 38 38 17 18 18 8 39 39 8 40 40 23 24 24 25 41 41 26 42 42 27 43 43 27 44 44 25 26 26 108.9315 105.2857 119.7367 121.0394 109.468 129.116 102.484 102.7189 105.6616 108.1912 110.0747 107.4236 113.3765 111.8031 102.7007 110.6621 107.1373 115.0925 110.2051 110.5247 111.3862 107.7273 110.0582 110.034 107.8696 109.7663 103.1173 108.1628 110.4827 113.9387 111.1864 109.7255 123.4775 119.198 117.1355 110.2007 110.5009 110.555 108.7135 108.1499 108.6567 122.2036 116.1869 121.5916 122.3726 118.0656 119.5587 119.5158 120.874 119.6001 118.8746 120.7353 120.3835 116.7402 122.7044 120.504 110.3171 122.528 127.1484 115.0055 121.6649 123.327 116.8333 122.4252 120.6448 119.8336 119.1307 121.0355 119.5576 120.2166 120.2254 119.4044 120.4853 120.1095 119.6083 120.3064 120.084 119.5372 119.5157 120.9471 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 10 10 10 9 9 9 12 12 12 9 9 9 22 22 19 19 11 20 7 7 7 20 20 20 7 7 11 11 6 6 21 21 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 11 11 3 3 3 14 14 14 28 28 28 3 3 3 12 12 12 28 28 28 9 9 16 16 9 9 15 15 1 1 13 13 13 13 36 36 15 15 37 37 16 16 38 38 5 5 24 24 5 5 23 23 22 22 41 41 22 22 42 42 23 23 43 43 24 24 44 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 9 9 9 10 10 10 9 9 9 12 12 12 19 19 22 22 7 7 11 11 11 11 11 11 20 20 20 20 21 21 20 20 21 21 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 4 11 13 12 14 28 3 11 13 10 31 32 17 18 23 24 21 21 9 29 30 9 29 30 8 39 8 39 8 40 6 39 7 40 6 29 30 6 29 30 6 29 30 15 16 15 16 15 16 4 31 32 4 31 32 4 31 32 33 34 35 33 34 35 33 34 35 1 17 1 17 18 36 18 36 19 37 19 37 19 38 19 38 5 18 5 18 5 17 5 17 25 41 25 41 26 42 26 42 27 43 27 43 27 44 27 44 2 26 2 26 2 25 2 -18.2193 -133.0204 104.5449 -4.7887 -128.1278 111.3145 35.4362 150.7645 -85.1974 -37.7359 -158.7284 81.157 -140.227 42.372 -145.1792 38.3777 174.3323 0.7655 -101.3581 19.4016 139.0506 70.8165 -168.4238 -48.7748 -0.8275 178.3083 -173.7199 5.4159 -0.4842 178.9496 0.4903 -178.5956 0.0103 -179.4129 -68.7787 171.8238 52.103 177.5836 58.1862 -61.5347 52.5935 -66.804 173.4752 -169.0425 16.1022 -50.9378 134.2068 70.6805 -104.1749 25.6522 142.63 -92.7505 145.9794 -97.0429 27.5766 -88.2266 28.7512 153.3707 -179.2105 60.6203 -59.7081 64.9373 -55.2319 -175.5602 -60.6918 179.139 58.8107 3.0782 -175.3274 178.0321 -0.3736 175.4384 -3.9162 0.2595 -179.095 -177.8143 1.02 0.6823 179.5166 -0.4504 -179.517 178.8949 -0.1718 -178.3292 -0.8674 2.8215 -179.7168 178.0562 0.7501 -2.8738 179.8202 -176.7582 3.0668 -0.2478 179.5771 177.0045 -3.2456 0.6938 -179.5563 -0.3059 -179.9778 179.8726 0.2007 -0.5807 179.8423 179.6693 0.0924 -179.5339 0.4168 0.1392 -179.9101 179.9798 0.0291 -0.4424 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.1005750438 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538718477 0.000000 10.407964 0.000000 4.588753 10.425287 0.000000 3.046043 11.445924 2.263365 0.000000 5.028946 5.907303 6.344678 6.461397 0.000000 4.270962 9.526675 2.941933 3.670410 6.123891 0.000000 4.199955 8.745578 4.090384 4.538363 5.586401 1.359647 0.000000 6.155662 8.392988 4.234037 5.638968 6.480367 2.193982 2.264516 0.000000 3.193436 10.271565 1.428886 1.411457 5.717665 2.469216 3.379843 4.288695 0.000000 5.115536 11.432485 1.446842 2.319895 7.066212 4.327998 5.471034 5.659056 2.340200 0.000000 3.459729 10.532138 2.403787 2.378358 6.398448 1.450950 2.447107 3.606415 1.537719 3.520198 0.000000 4.106117 11.747507 2.328952 1.426231 6.769682 4.673572 5.631416 6.378646 2.255607 1.534426 3.552624 0.000000 2.773124 8.989676 2.429301 2.462823 4.185682 2.910148 3.280229 4.351095 1.534471 3.289608 2.544006 3.048674 0.000000 6.109760 11.122600 2.438379 3.638781 7.055409 5.329117 6.382979 6.251885 3.492157 1.517520 4.785604 2.575323 3.954874 0.000000 1.760074 8.940440 3.751732 3.059160 3.635774 3.668931 3.604564 5.177863 2.586567 4.460507 3.253686 3.816697 1.401275 5.148647 0.000000 4.041790 7.952918 2.733546 3.617402 3.676863 3.363881 3.656238 4.087391 2.530742 3.632115 3.486417 3.826171 1.398624 3.803566 2.389035 0.000000 2.681959 7.915944 4.858252 4.405627 2.356482 4.605583 4.230501 5.701141 3.862999 5.569804 4.492676 4.989267 2.437207 5.996465 1.390843 2.768452 0.000000 4.539601 6.771391 4.116395 4.816563 2.431180 4.364831 4.276515 4.721740 3.828083 4.926063 4.667016 4.999218 2.441740 4.879679 2.781988 1.388135 2.415710 0.000000 3.988812 6.751886 4.997071 5.126400 1.377755 4.888803 4.520809 5.488097 4.340741 5.758413 5.068465 5.483949 2.809718 5.880338 2.402242 2.394371 1.389835 1.392547 0.000000 5.511387 9.311900 3.083486 4.508432 6.614756 1.352278 2.214237 1.320821 3.220389 4.491592 2.531727 5.233700 3.658112 5.252044 4.659253 3.647045 5.464068 4.621893 5.437389 0.000000 5.415272 8.029486 4.661449 5.580736 5.826703 2.091312 1.322050 1.362754 4.286699 6.103546 3.483477 6.517111 4.091282 6.814990 4.565952 4.034685 4.963024 4.474631 4.909118 2.096248 0.000000 6.177776 4.527159 7.013530 7.464515 1.382589 6.551388 5.906717 6.444040 6.541513 7.857286 7.091770 7.775633 5.057673 7.746401 4.717204 4.289910 3.535884 2.943682 2.387351 6.829301 5.841459 0.000000 7.382375 4.022958 8.145566 8.633445 2.363676 7.892642 7.282812 7.679232 7.764956 8.878745 8.416619 8.806170 6.271180 8.589015 5.939673 5.418231 4.709173 4.031337 3.560001 8.095443 7.153104 1.392065 0.000000 6.389374 4.024500 6.918144 7.584048 2.434067 5.980749 5.199435 5.526789 6.486170 7.961173 6.772897 8.043960 5.130952 7.962747 4.943511 4.335269 3.967722 3.175242 2.920023 6.133347 4.894125 1.394711 2.421222 0.000000 8.581702 2.728932 9.070485 9.762030 3.645646 8.638138 7.964297 8.092328 8.785813 9.882917 9.332531 9.950401 7.342341 9.539354 7.113098 6.383579 5.930293 5.027682 4.744773 8.688263 7.622722 2.408926 1.391859 2.795411 0.000000 7.743383 2.728796 7.980616 8.843770 3.690247 6.930700 6.114613 6.082005 7.674550 9.061620 7.878454 9.278011 6.391915 8.972764 6.303000 5.488533 5.359257 4.365537 4.282629 6.891268 5.554032 2.407930 2.790987 1.391958 2.422166 0.000000 8.728600 1.759463 8.985493 9.844235 4.148079 8.205029 7.447388 7.373360 8.734598 9.953986 9.083951 10.150780 7.382462 9.702817 7.256294 6.401457 6.188651 5.152742 5.022263 8.142774 6.915625 2.767708 2.403409 2.406154 1.391749 1.391939 0.000000 5.804080 12.336849 2.055983 2.810548 8.110847 4.677532 5.939005 5.999082 2.989643 1.095338 3.818227 2.171453 4.198175 2.160602 5.351183 4.605186 6.539340 5.938682 6.783595 4.749268 6.556479 8.875206 9.922898 8.898365 10.894366 9.964172 10.901831 0.000000 2.785364 10.744565 3.343916 2.616912 6.377291 2.060914 2.513782 4.227034 2.165981 4.311241 1.087027 3.989582 2.842035 5.612912 3.061773 3.994725 4.287325 5.004905 5.111597 3.353357 3.767563 7.158048 8.508644 6.875371 9.473187 8.035878 9.254084 4.636527 0.000000 4.284602 11.465372 2.561932 2.612375 7.449896 2.092500 3.253897 4.026030 2.140481 3.468907 1.090109 3.661378 3.465183 4.849847 4.255535 4.340946 5.540777 5.607765 6.104461 2.811554 4.146403 8.130810 9.441495 7.787704 10.337232 8.848341 10.060959 3.440818 1.780856 0.000000 4.671933 12.820473 3.237374 2.046619 7.731145 5.516429 6.509835 7.303699 3.181327 2.212861 4.271159 1.089095 4.075018 3.174717 4.695951 4.911844 5.882519 6.060192 6.474062 6.101151 7.451456 8.790286 9.798024 9.098698 10.972842 10.348807 11.211128 2.407844 4.607122 4.182690 0.000000 3.992817 11.247643 2.870011 2.081903 6.085576 5.138879 5.925893 6.732898 2.691352 2.185503 4.152217 1.097568 2.904914 2.659227 3.498962 3.535793 4.465384 4.498436 4.891290 5.714779 6.781316 7.153328 8.087562 7.589079 9.283545 8.848207 9.612319 3.052549 4.502496 4.484784 1.788207 0.000000 6.722638 12.021902 3.384612 4.168291 7.823919 6.319277 7.393392 7.325337 4.328383 2.155663 5.640350 2.873860 4.832373 1.094196 5.909923 4.774956 6.754841 5.779037 6.696698 6.288916 7.881590 8.580314 9.347660 8.901573 10.335595 9.927266 10.590860 2.504224 6.404900 5.615503 3.128851 2.904955 0.000000 5.778743 10.277159 2.707727 3.780954 6.121188 5.358624 6.233466 6.206925 3.502571 2.158129 4.921141 2.804128 3.518127 1.092450 4.618332 3.157842 5.270491 4.041105 5.026114 5.351284 6.642852 6.817983 7.593305 7.146631 8.571482 8.171631 8.821674 3.068521 5.666495 5.216608 3.576565 2.477456 1.777003 0.000000 6.870156 11.012333 2.701185 4.394493 7.483106 5.405812 6.501492 5.983574 4.000407 2.158312 5.095128 3.509879 4.495524 1.091790 5.801012 4.121208 6.603755 5.175170 6.334888 5.053126 6.740811 8.005491 8.829242 8.087499 9.653443 8.972412 9.708044 2.496385 6.040721 5.081264 4.106196 3.701221 1.770181 1.774416 0.000000 4.902422 8.224720 2.305068 3.841329 4.562712 3.395063 3.957755 3.821259 2.684705 3.224249 3.620493 3.848138 2.132382 3.205374 3.365562 1.080911 3.849303 2.139083 3.375140 3.303158 4.132142 4.989012 6.030896 4.912895 6.865537 5.900634 6.796952 4.116331 4.369274 4.276873 4.920474 3.713802 4.254992 2.688920 3.283223 0.000000 2.799364 8.147674 5.840708 5.111729 2.560917 5.406145 4.877291 6.539605 4.739200 6.498981 5.245172 5.759166 3.418042 6.971211 2.155754 3.849721 1.081341 3.391293 2.141407 6.360393 5.655344 3.778364 4.841159 4.313182 6.083954 5.673415 6.422907 7.446215 4.849964 6.287968 6.557300 5.206894 7.669404 6.242162 7.631401 4.930545 0.000000 5.621398 6.060291 4.715127 5.724594 2.694291 5.034614 4.945621 4.963287 4.682085 5.492023 5.502393 5.766935 3.419727 5.193747 3.864138 2.152564 3.396956 1.082185 2.152845 5.033784 4.878205 2.749001 3.611211 2.940547 4.427872 3.892668 4.532811 6.483686 5.940186 6.385238 6.830402 5.250686 6.085524 4.313356 5.320847 2.474462 4.284419 0.000000 6.058980 9.971052 2.746105 4.493325 7.267622 2.135165 3.238524 2.151005 3.319546 4.009159 2.857234 5.000659 4.030866 4.708926 5.211350 3.966901 6.111544 5.080067 6.046239 1.078135 3.154554 7.512838 8.720505 6.900827 9.322187 7.640669 8.825868 4.098070 3.848577 2.810280 5.797778 5.583712 5.701593 4.988820 4.369026 3.373225 7.066988 5.422130 0.000000 5.970235 7.413744 5.675632 6.518298 5.830025 3.131852 2.100236 2.153690 5.242687 7.110360 4.469488 7.470475 4.849327 7.754750 5.122254 4.698268 5.270116 4.855520 5.130278 3.137551 1.079356 5.656848 6.923661 4.546448 7.252380 5.029819 6.417186 7.608637 4.609677 5.171764 8.422930 7.653836 8.829471 7.496842 7.675568 4.888334 5.836169 5.159948 4.167710 0.000000 7.498528 4.888296 8.441739 8.770651 2.560167 8.468438 7.939004 8.453587 8.043665 9.022990 8.836335 8.835457 6.531211 8.663856 6.121516 5.748207 4.859000 4.381744 3.808751 8.743935 7.938003 2.139594 1.082804 3.394350 2.159578 3.873606 3.393469 10.097669 8.902336 9.856609 9.771351 8.016988 9.323648 7.620026 8.994029 6.400014 4.900167 4.037820 9.317030 7.791837 0.000000 5.679775 4.879852 6.224205 6.860166 2.691579 4.993047 4.139884 4.609412 5.714778 7.369029 5.839457 7.456528 4.452929 7.545282 4.298144 3.806632 3.518838 2.897041 2.699484 5.213292 3.865489 2.153487 3.401313 1.082734 3.878127 2.151101 3.390170 8.251613 5.916174 6.851992 8.508327 7.120134 8.530146 6.827014 7.673134 4.409364 3.952441 2.934212 6.053309 3.538681 4.284183 0.000000 9.520176 2.864462 9.993193 10.687252 4.514949 9.689233 9.040483 9.121444 9.749674 10.735029 10.358864 10.798212 8.297710 10.294586 8.061672 7.314464 6.851947 5.950153 5.672386 9.713750 8.690033 3.393487 2.153384 3.877671 1.082290 3.400314 2.149320 11.759140 10.508880 11.357922 11.802274 10.078066 11.037216 9.297005 10.403222 7.764485 6.957424 5.299379 10.311606 8.314444 2.499190 4.960391 0.000000 8.148662 2.863723 8.185256 9.164796 4.578932 6.843040 5.968473 5.723945 7.917947 9.366979 7.937954 9.682404 6.764538 9.352326 6.764216 5.891699 5.961263 4.940825 4.979694 6.693929 5.220734 3.392479 3.873295 2.151628 3.400147 1.082338 2.149261 10.196882 8.116916 8.856995 10.760027 9.361094 10.355524 8.639146 9.264531 6.205727 6.312865 4.497039 7.473830 4.559817 4.955938 2.483183 4.289622 0.000000 C19H17Cl2N3O3 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 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2842411 0.0846861 0.0794411 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= 712 RedAO= T EigKep= 1.25D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 7.16D-07 NBFU= 709 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= 727 727 727 727 727 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94345800623 -2044.94345801 1 2.038246058180e+03 -1.033609713231e+04 3.488860912930e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 44. Will process 45 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 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. 13638 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 2831155200 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 750000000 NMat= 132 IRICut= 330 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 132 NMatS0= 132 NMatT0= 0 NMatD0= 132 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 73.87% of shell-pairs survive, threshold= 0.20 IRatSp=74. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 6.34D-14 1.00D-09 XBig12= 3.49D+02 8.95D+00. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 6.34D-14 1.00D-09 XBig12= 7.61D+01 1.46D+00. 132 vectors produced by pass 2 Test12= 6.34D-14 1.00D-09 XBig12= 8.17D-01 5.54D-02. 132 vectors produced by pass 3 Test12= 6.34D-14 1.00D-09 XBig12= 4.79D-03 4.27D-03. 132 vectors produced by pass 4 Test12= 6.34D-14 1.00D-09 XBig12= 1.38D-05 2.34D-04. 127 vectors produced by pass 5 Test12= 6.34D-14 1.00D-09 XBig12= 2.40D-08 9.31D-06. 63 vectors produced by pass 6 Test12= 6.34D-14 1.00D-09 XBig12= 3.47D-11 4.35D-07. 3 vectors produced by pass 7 Test12= 6.34D-14 1.00D-09 XBig12= 4.69D-14 2.49D-08. 1 vectors produced by pass 8 Test12= 6.34D-14 1.00D-09 XBig12= 7.22D-17 1.18D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 854 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 274.34 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 359.984 -19.505 238.768 -12.429 10.408 224.255 486.945 -23.934 383.549 -34.325 34.579 369.662 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT169239.900S Mon Jul 5 16:35:56 2021 1.34425170e+00 -1.00879416e+00 1.22173318e+00 3.59984439e+02 -1.95051480e+01 2.38768293e+02 -1.24287354e+01 1.04075956e+01 2.24254523e+02 -2.8438 -0.9946 -0.5774 -0.0023 -0.0020 -0.0016 6.8020 18.4307 27.0650 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 6.7810 18.4299 27.0568 33.3726 39.5003 45.1770 56.0220 74.1348 98.0695 120.6004 141.8230 169.8788 177.0486 191.0183 199.3169 232.2626 234.4263 253.4669 299.5856 307.9224 327.3236 333.9204 352.7168 379.6063 402.2648 404.2888 421.0116 426.7085 457.8112 472.3791 485.5800 516.2616 528.8605 585.6634 602.9032 635.9736 641.7297 658.8999 673.8106 684.5043 693.2794 706.3705 729.5664 747.8189 755.3301 779.1808 819.2135 825.3391 840.3758 845.8867 854.9277 861.6454 893.4499 893.8959 897.3798 930.9259 934.3022 956.1371 960.4271 973.0162 974.7252 987.3695 1013.0731 1027.9981 1029.9171 1050.0838 1053.3744 1085.2159 1094.0349 1099.8493 1133.7723 1137.7754 1158.6073 1161.4693 1168.3226 1187.2700 1193.3099 1193.6901 1216.7459 1224.4490 1246.9799 1257.0277 1257.8312 1293.2464 1305.7282 1307.6635 1319.1588 1325.8617 1339.2382 1342.7075 1362.7652 1378.2722 1390.0764 1401.7168 1417.0705 1425.1316 1437.7053 1452.3576 1482.0323 1486.3800 1500.5096 1508.2830 1513.9333 1518.3277 1539.6671 1600.3006 1620.7166 1626.9933 1645.0937 3004.2553 3024.2887 3029.6487 3089.6314 3097.0127 3110.9043 3120.8569 3164.9865 3188.7059 3190.9219 3196.2039 3203.4899 3205.3405 3212.2440 3216.1914 3243.5072 3261.6254 7.9840 9.2078 4.3619 4.6610 7.6167 4.9952 5.5401 5.5032 5.2712 5.1738 4.0622 6.2175 7.5881 7.0925 9.5454 1.4419 5.4536 2.6739 6.9560 6.9225 4.7932 6.5533 3.5092 5.8500 5.5538 3.8281 4.2991 3.0702 3.0105 2.9614 4.6601 3.4388 5.0090 5.0873 4.7280 3.5213 5.9639 4.6925 6.1331 3.9185 3.7844 5.7145 4.1181 4.2434 5.6996 4.6448 3.9861 1.3093 2.0330 2.1051 1.6603 1.4691 2.0515 1.8366 1.4107 4.1454 3.2161 1.3466 1.3424 6.1330 1.3394 1.3441 4.5041 3.4240 4.4611 3.7963 4.5995 2.4689 3.2145 3.0564 1.3124 2.2054 2.0061 1.6107 1.9023 2.2903 1.9287 1.4290 2.5354 1.5610 3.1329 4.2959 1.3000 1.7038 3.0561 8.6743 2.2733 2.1862 2.2260 1.4013 1.1907 1.6756 3.4818 1.3383 1.3805 3.2144 3.0391 3.0226 1.2292 1.0546 1.0479 2.6372 1.0944 2.4101 4.0408 7.4521 7.1841 6.0381 6.2743 1.0712 1.0840 1.0360 1.0631 1.1006 1.1029 1.0976 1.1034 1.0889 1.0890 1.0896 1.0951 1.0957 1.0924 1.0927 1.0971 1.0997 0.0002 0.0018 0.0019 0.0031 0.0070 0.0060 0.0102 0.0178 0.0299 0.0443 0.0481 0.1057 0.1401 0.1525 0.2234 0.0458 0.1766 0.1012 0.3678 0.3867 0.3026 0.4305 0.2572 0.4967 0.5295 0.3687 0.4490 0.3294 0.3718 0.3893 0.6474 0.5400 0.8254 1.0281 1.0126 0.8391 1.4471 1.2003 1.6406 1.0817 1.0717 1.6799 1.2915 1.3982 1.9159 1.6615 1.5761 0.5255 0.8459 0.8875 0.7150 0.6426 0.9648 0.8646 0.6693 2.1166 1.6541 0.7253 0.7296 3.4211 0.7498 0.7720 2.7236 2.1319 2.7881 2.4663 3.0070 1.7131 2.2669 2.1783 0.9940 1.6821 1.5866 1.2802 1.5299 1.9021 1.6181 1.1997 2.2115 1.3789 2.8703 3.9994 1.2118 1.6790 3.0699 8.7393 2.3307 2.2643 2.3523 1.4885 1.3029 1.8754 3.9640 1.5493 1.6333 3.8465 3.7012 3.7564 1.5907 1.3728 1.3901 3.5348 1.4779 3.2735 5.6438 11.2443 11.1183 9.4172 10.0045 5.6965 5.8417 5.6027 5.9789 6.2196 6.2887 6.2983 6.5123 6.5235 6.5329 6.5585 6.6214 6.6327 6.6415 6.6593 6.8004 6.8925 1.1820 0.2828 0.9904 0.1350 0.5818 0.1714 1.0033 0.1002 0.7173 0.1352 2.5929 0.3066 0.8769 0.8026 0.0510 2.1025 1.9892 4.6459 0.5894 2.8964 0.4720 2.8138 3.2687 0.8938 3.3895 1.8000 9.1243 0.0622 3.9842 1.3969 9.6196 22.1126 8.5969 15.3601 16.9164 6.6702 1.3141 14.5956 7.3774 18.7906 20.0204 2.4008 8.6294 2.6929 2.0990 27.5842 14.5380 0.6031 33.5685 18.5218 20.0158 16.3833 9.6521 25.9674 6.0591 85.2113 80.6295 1.4395 1.1939 6.9963 0.4444 3.1138 12.6601 34.5998 10.8501 78.4949 60.3881 71.8718 78.2081 62.5867 7.6612 14.8794 28.1272 5.6181 6.1896 108.8071 83.5464 93.4470 16.5852 12.7067 19.2221 536.0935 9.1946 77.0895 40.1345 8.7746 4.4004 3.2908 12.0134 4.2110 3.2668 4.8629 15.7818 1.0914 17.4860 6.0862 1.9868 18.2105 8.8039 3.6618 5.8528 316.3812 4.2070 84.8183 55.9292 31.7527 3.1335 128.1238 66.3981 25.6011 48.6281 16.4883 17.0966 21.3756 19.0915 33.5170 0.6555 4.4780 0.4676 2.4389 0.6618 0.8711 0.4805 1.1952 3.3778 1.1709 0.06 -0.02 0.02 -0.05 -0.11 0.20 -0.05 -0.00 0.03 -0.02 -0.05 0.09 -0.02 0.08 -0.16 0.11 0.01 -0.04 0.16 0.04 -0.09 0.13 0.07 -0.13 -0.00 -0.01 0.03 -0.11 -0.02 0.08 0.08 -0.03 0.02 -0.10 -0.04 0.11 -0.01 0.03 -0.03 -0.19 0.01 0.06 0.02 0.02 -0.03 -0.05 0.06 -0.07 0.01 0.04 -0.08 -0.05 0.08 -0.11 -0.02 0.07 -0.12 0.09 0.02 -0.06 0.17 0.07 -0.15 -0.02 0.03 -0.08 0.03 -0.02 -0.02 -0.09 0.03 -0.05 0.02 -0.06 0.07 -0.09 -0.01 0.04 -0.04 -0.06 0.09 -0.11 -0.05 0.13 0.12 -0.05 0.03 0.09 -0.06 0.06 -0.11 -0.07 0.16 -0.13 -0.02 0.08 -0.24 -0.00 0.10 -0.20 0.04 0.01 -0.20 0.02 0.04 -0.07 0.06 -0.07 0.04 0.04 -0.08 -0.07 0.10 -0.14 0.05 0.01 -0.03 0.21 0.10 -0.20 0.08 -0.02 -0.04 -0.13 0.07 -0.09 0.07 -0.10 0.11 -0.14 -0.01 0.06 -0.09 -0.02 -0.01 -0.12 -0.10 -0.16 0.05 -0.00 -0.05 -0.03 -0.05 -0.06 -0.01 -0.04 0.17 0.12 0.06 0.00 0.06 0.14 0.06 0.30 0.20 0.07 0.01 -0.01 -0.05 0.02 -0.04 -0.06 0.04 -0.02 -0.06 -0.04 -0.05 -0.06 -0.02 0.03 -0.01 0.02 -0.01 -0.05 -0.05 0.01 0.02 0.01 0.06 0.01 -0.05 -0.01 0.07 0.01 0.05 0.06 -0.02 0.01 0.10 0.26 0.10 0.01 0.18 0.22 0.10 -0.03 -0.04 0.11 -0.03 -0.05 0.09 -0.05 -0.06 0.05 -0.06 -0.06 0.02 -0.08 -0.07 -0.03 -0.08 -0.08 -0.05 0.04 -0.07 -0.07 -0.05 -0.02 -0.06 0.08 -0.09 -0.11 -0.05 -0.09 -0.07 -0.06 -0.02 -0.04 -0.00 -0.03 -0.06 -0.00 0.03 -0.04 0.06 0.00 -0.05 0.04 0.09 -0.02 -0.07 -0.04 0.10 0.03 0.07 0.08 0.32 0.05 -0.03 0.17 0.30 0.15 -0.02 -0.04 0.14 -0.05 -0.05 0.06 -0.06 -0.07 0.00 -0.10 -0.08 -0.08 -0.03 0.06 -0.03 -0.08 -0.04 -0.01 0.01 -0.03 0.03 -0.01 -0.05 0.03 -0.02 0.05 -0.00 0.04 -0.04 -0.02 0.07 -0.04 -0.06 -0.00 -0.05 -0.07 0.01 -0.03 0.02 0.10 0.03 -0.00 0.04 -0.04 0.02 0.02 -0.01 0.04 -0.00 -0.01 0.02 0.23 0.11 0.08 -0.02 0.04 -0.01 0.01 -0.04 0.04 -0.03 0.06 -0.01 0.01 -0.02 0.04 -0.01 0.03 0.01 -0.01 -0.04 -0.02 0.05 -0.05 -0.09 -0.02 0.04 0.01 -0.07 -0.01 -0.14 -0.00 0.07 0.15 -0.08 -0.04 -0.15 -0.02 0.04 0.15 -0.06 -0.01 -0.00 0.11 0.06 -0.12 0.07 -0.04 0.03 0.03 -0.03 0.05 0.01 -0.05 0.02 0.00 0.01 0.11 0.29 0.15 0.06 0.22 0.08 0.20 0.27 0.14 0.04 0.03 -0.08 0.07 -0.04 0.10 -0.03 0.02 -0.05 0.06 -0.05 -0.05 0.00 0.07 -0.05 -0.12 -0.08 -0.04 -0.25 0.03 0.11 0.26 -0.11 -0.08 -0.26 0.00 0.06 0.26 0.01 -0.05 -0.00 0.04 0.03 0.06 -0.09 -0.01 -0.00 -0.04 -0.03 0.02 -0.04 -0.03 -0.11 -0.01 -0.01 0.04 -0.06 0.02 0.09 0.09 0.07 0.08 -0.05 -0.03 -0.00 0.06 0.11 -0.02 -0.05 -0.04 -0.01 0.01 0.04 0.05 -0.04 -0.05 -0.02 0.22 0.20 0.09 -0.02 -0.05 -0.03 -0.06 -0.06 -0.03 -0.02 -0.05 -0.06 -0.06 -0.06 -0.06 -0.04 -0.05 -0.08 0.08 0.02 0.03 0.01 0.07 0.12 -0.03 -0.03 -0.08 -0.01 -0.00 -0.01 -0.03 -0.04 -0.13 0.01 0.01 0.03 -0.01 -0.02 -0.09 0.01 0.01 -0.01 0.05 0.17 -0.18 -0.09 -0.03 -0.01 -0.03 -0.07 -0.04 0.00 0.04 0.04 0.00 0.06 0.13 0.32 0.29 0.08 0.23 0.14 0.24 0.25 0.25 0.02 -0.08 -0.06 -0.02 0.00 -0.05 -0.06 -0.07 -0.06 -0.08 0.13 0.01 -0.00 -0.01 0.10 0.16 -0.00 0.00 0.02 -0.05 -0.06 -0.19 0.03 0.03 0.10 -0.02 -0.03 -0.12 -0.08 0.22 -0.10 0.10 0.06 -0.02 -0.06 -0.04 0.06 -0.06 -0.04 0.05 -0.00 -0.14 0.07 0.03 0.01 0.00 0.14 0.07 -0.12 -0.02 0.02 -0.11 -0.04 -0.01 0.04 -0.03 -0.03 0.04 0.03 -0.00 0.07 -0.08 -0.04 0.05 -0.05 0.01 0.01 0.02 0.01 0.08 -0.05 0.07 -0.03 -0.03 -0.09 0.06 -0.03 0.02 -0.02 -0.01 -0.14 0.07 -0.01 -0.10 0.04 -0.07 -0.02 0.00 0.10 0.08 -0.18 0.01 -0.10 0.03 0.02 -0.03 0.14 0.03 -0.13 -0.09 0.04 0.02 0.12 0.05 -0.08 -0.11 0.06 -0.01 -0.00 -0.02 -0.03 -0.01 0.09 0.02 0.07 0.01 -0.01 0.14 -0.10 -0.08 0.05 -0.11 -0.01 0.06 0.05 0.03 0.07 0.01 0.01 0.13 0.05 0.03 0.06 -0.02 -0.14 0.09 -0.04 0.06 -0.05 0.00 -0.23 0.11 -0.16 -0.08 0.08 0.17 0.12 -0.27 0.00 -0.02 0.24 0.02 -0.18 -0.17 0.05 0.07 0.21 0.07 -0.10 -0.21 0.01 -0.01 0.02 -0.09 -0.05 -0.05 0.04 -0.05 0.03 0.01 -0.02 -0.02 -0.00 0.08 -0.01 0.02 -0.01 0.03 0.08 0.02 -0.04 -0.10 -0.14 0.05 0.03 -0.01 0.01 0.09 -0.04 -0.02 0.04 0.01 0.04 0.04 -0.04 -0.03 0.01 0.03 0.00 0.17 -0.04 0.02 0.01 0.02 0.01 0.00 0.08 -0.02 0.00 0.05 -0.00 -0.01 0.12 -0.04 -0.01 0.09 -0.02 -0.09 -0.11 0.08 0.01 -0.05 -0.02 -0.01 0.06 0.01 0.06 0.07 0.17 -0.10 0.03 -0.14 0.04 0.03 0.16 -0.12 -0.00 -0.15 -0.05 -0.00 -0.01 0.10 -0.04 -0.08 0.06 0.03 0.03 0.03 0.02 0.07 0.03 -0.06 -0.07 0.02 -0.02 -0.02 0.20 -0.04 -0.03 0.16 -0.03 0.07 0.22 -0.04 0.03 0.01 0.08 -0.03 0.00 0.03 0.01 -0.02 0.16 -0.06 -0.16 -0.16 0.14 0.03 -0.05 -0.06 0.13 0.09 0.29 -0.15 0.02 -0.25 0.09 0.04 0.28 -0.19 -0.03 -0.27 0.02 -0.12 0.06 0.03 0.02 0.02 -0.02 0.00 -0.01 -0.00 0.04 -0.04 -0.01 -0.03 0.01 -0.05 0.03 0.03 0.12 0.28 -0.14 -0.07 -0.00 0.06 -0.02 0.01 -0.01 0.01 0.01 -0.03 -0.06 0.02 -0.01 0.03 0.03 -0.05 -0.01 -0.01 -0.00 0.03 -0.02 -0.03 0.00 -0.06 0.03 -0.02 0.00 -0.01 0.00 -0.07 0.03 -0.01 -0.01 -0.00 -0.01 -0.04 0.01 -0.15 -0.13 0.14 0.10 0.25 -0.12 -0.01 -0.02 -0.01 -0.04 -0.03 -0.07 0.03 -0.01 0.05 -0.03 -0.01 -0.07 0.04 0.00 0.06 0.01 0.00 -0.00 0.00 0.03 -0.03 -0.11 0.03 -0.01 -0.04 0.01 -0.05 0.04 0.06 -0.07 0.06 0.01 -0.05 0.05 -0.02 -0.05 0.04 -0.04 -0.03 0.02 -0.04 -0.01 -0.03 0.03 -0.03 0.02 -0.10 0.05 -0.02 0.01 -0.01 -0.29 -0.34 0.27 0.20 0.41 -0.22 -0.06 -0.04 -0.12 0.05 -0.01 0.09 -0.05 -0.01 -0.12 0.07 0.01 0.11 0.03 -0.02 0.07 -0.01 -0.00 0.02 -0.01 -0.09 0.10 0.00 0.06 -0.03 -0.01 0.01 -0.04 -0.08 0.02 0.04 -0.07 -0.05 0.03 0.01 0.24 -0.21 -0.03 0.00 0.07 0.08 -0.09 -0.00 -0.06 0.04 0.11 0.09 -0.01 -0.08 -0.01 -0.02 0.06 0.17 -0.23 -0.00 0.01 -0.02 0.05 -0.03 -0.03 0.04 0.01 -0.01 0.02 -0.03 -0.02 0.01 -0.01 -0.00 -0.00 -0.03 0.20 -0.10 -0.02 0.08 -0.12 -0.02 0.00 -0.03 -0.01 0.00 -0.02 -0.02 0.00 -0.04 -0.01 0.00 -0.00 -0.02 0.00 -0.03 -0.01 0.00 -0.01 0.05 -0.05 -0.01 0.01 0.04 0.11 -0.08 0.08 0.15 0.12 0.04 -0.15 0.14 -0.06 -0.10 0.23 -0.25 -0.10 0.18 -0.26 0.00 0.16 -0.30 0.09 -0.04 -0.04 0.06 0.02 -0.00 0.01 -0.04 -0.02 0.00 -0.02 0.30 -0.12 0.00 0.05 -0.17 -0.00 0.01 -0.01 -0.03 0.00 -0.06 0.00 0.00 0.01 -0.03 -0.00 -0.04 -0.02 -0.00 0.05 0.09 0.04 0.09 0.02 -0.01 0.02 -0.08 -0.02 -0.03 0.02 -0.07 0.10 0.07 0.07 -0.01 0.04 -0.03 0.01 -0.04 -0.05 0.01 -0.01 0.05 -0.00 0.02 -0.07 -0.04 0.07 0.07 0.03 -0.15 -0.08 -0.05 -0.04 0.13 -0.02 0.09 -0.00 0.01 -0.01 0.04 0.03 -0.06 0.21 -0.06 0.00 -0.02 0.08 -0.05 0.17 -0.03 -0.01 0.03 0.05 0.01 0.05 -0.01 -0.02 -0.09 0.03 -0.02 -0.08 -0.04 -0.06 -0.08 -0.12 0.00 -0.09 -0.06 -0.05 -0.05 -0.14 0.02 -0.06 -0.07 0.01 -0.04 -0.07 0.08 -0.15 -0.13 0.12 0.08 0.03 0.06 0.05 0.09 -0.21 -0.23 -0.07 -0.27 0.02 -0.06 0.08 -0.07 -0.05 0.02 0.10 0.10 0.24 0.02 0.03 -0.07 0.28 -0.11 0.03 -0.11 0.13 -0.06 0.23 -0.06 0.02 0.10 -0.02 -0.06 -0.17 0.04 -0.09 -0.08 -0.14 0.02 -0.10 -0.04 -0.07 -0.04 -0.17 0.05 -0.06 -0.05 -0.07 0.05 0.00 0.00 0.02 0.13 0.07 0.04 -0.02 0.07 0.02 0.01 -0.01 0.01 0.07 0.01 -0.05 -0.02 0.01 -0.01 -0.02 0.05 -0.04 0.02 0.04 -0.02 0.01 0.05 0.07 0.03 -0.00 -0.06 -0.04 0.23 0.10 0.02 0.03 -0.04 0.07 -0.07 -0.04 -0.06 -0.01 0.01 0.05 0.04 -0.04 0.08 -0.03 0.04 0.06 0.02 0.00 0.08 -0.01 0.03 0.07 0.04 -0.07 -0.00 0.04 -0.00 0.00 -0.05 -0.01 -0.07 -0.07 -0.01 -0.10 -0.09 -0.03 -0.17 -0.07 -0.02 -0.12 -0.10 -0.03 -0.19 -0.07 -0.02 -0.11 -0.01 0.14 0.16 -0.05 -0.09 -0.03 0.01 -0.06 -0.10 0.30 0.28 0.00 0.38 -0.04 0.07 -0.07 -0.01 -0.01 -0.00 -0.11 -0.19 -0.21 -0.08 -0.04 0.06 -0.06 0.09 -0.05 0.07 0.05 0.03 0.01 0.09 0.04 -0.11 0.00 0.04 0.03 0.01 -0.05 -0.01 -0.07 -0.09 -0.03 -0.18 -0.06 -0.02 -0.09 -0.11 -0.04 -0.22 -0.03 -0.03 -0.06 -0.00 0.04 -0.04 -0.13 -0.04 0.04 0.04 0.06 0.03 -0.04 -0.06 0.02 0.10 0.05 0.02 0.10 -0.03 0.02 -0.01 -0.04 0.01 -0.02 0.00 0.01 -0.01 0.08 0.04 0.08 0.04 0.07 0.20 0.13 0.03 -0.02 0.01 -0.08 0.01 -0.08 0.00 -0.03 -0.02 -0.05 -0.05 0.07 -0.12 -0.03 -0.06 -0.03 -0.05 0.07 -0.10 -0.04 -0.02 -0.04 0.04 0.04 0.01 0.03 -0.08 0.01 -0.03 -0.05 0.04 -0.05 -0.03 0.04 -0.00 -0.05 0.07 -0.04 -0.01 0.04 0.02 -0.02 0.08 -0.01 -0.00 0.05 -0.10 0.22 0.10 0.16 0.07 0.06 0.07 0.01 0.17 0.28 0.34 0.01 0.37 -0.03 0.06 0.10 0.01 -0.00 0.10 -0.24 -0.06 -0.18 -0.14 0.03 -0.07 0.11 -0.14 -0.01 -0.11 -0.00 -0.05 0.12 -0.12 0.02 0.09 0.01 0.01 -0.15 0.01 -0.08 -0.04 0.03 0.01 -0.06 0.08 -0.06 0.01 0.02 0.04 -0.02 0.09 -0.10 0.05 -0.14 0.03 -0.04 -0.00 0.02 -0.04 0.02 0.04 -0.07 0.06 0.05 0.03 0.03 -0.15 -0.13 0.09 -0.11 -0.03 0.04 0.02 0.10 -0.04 0.03 -0.08 0.02 0.01 -0.02 0.06 -0.09 -0.07 0.02 0.04 -0.04 0.08 0.05 -0.07 0.01 -0.02 0.03 0.06 0.05 -0.12 0.04 0.01 0.15 -0.09 0.06 -0.16 0.11 -0.01 0.25 -0.11 0.04 0.03 0.03 -0.08 -0.05 0.03 -0.01 0.10 -0.04 0.05 0.04 -0.00 0.06 0.02 -0.02 0.05 0.04 0.01 0.05 -0.00 -0.03 0.04 0.02 0.01 0.04 -0.00 -0.01 0.00 -0.01 0.06 -0.13 -0.06 0.02 -0.11 0.01 -0.04 0.04 -0.02 0.10 0.04 -0.04 0.09 -0.03 0.06 0.11 -0.01 0.03 0.06 -0.04 0.06 0.01 0.01 0.25 -0.17 0.05 -0.25 0.17 -0.05 0.46 -0.21 -0.09 -0.09 0.05 0.05 0.20 -0.09 0.07 0.02 -0.04 0.04 0.05 0.02 0.05 -0.01 -0.05 0.03 0.03 0.02 0.12 0.22 0.16 0.00 0.03 -0.06 0.04 0.02 -0.04 -0.09 -0.06 -0.03 -0.04 -0.03 -0.12 -0.01 -0.08 -0.11 -0.05 0.00 -0.07 0.09 -0.07 0.04 -0.06 -0.03 0.01 0.04 0.02 -0.04 -0.06 -0.12 -0.11 0.09 0.02 -0.04 -0.08 0.02 0.10 0.02 -0.06 -0.08 -0.00 -0.02 0.11 -0.14 0.09 0.01 0.04 -0.11 0.05 -0.14 0.08 -0.08 -0.04 -0.04 -0.04 0.07 -0.12 -0.05 0.01 0.01 0.02 -0.03 -0.05 -0.02 -0.02 -0.03 0.02 -0.00 -0.03 0.05 -0.00 -0.01 0.07 0.03 -0.01 0.11 0.02 -0.00 0.08 0.02 0.04 0.00 -0.14 -0.20 -0.08 -0.03 -0.14 -0.21 0.14 0.13 -0.10 0.20 -0.07 0.06 -0.01 -0.14 -0.13 0.01 -0.02 -0.14 0.03 -0.12 -0.00 -0.21 0.16 -0.01 0.11 -0.15 0.06 -0.20 0.15 -0.17 0.12 -0.21 -0.08 -0.00 0.08 0.08 -0.04 -0.04 -0.01 -0.00 -0.04 0.04 -0.01 0.00 0.06 0.05 -0.00 0.14 0.02 -0.07 0.04 0.09 0.04 -0.05 0.03 -0.02 0.00 0.00 -0.07 0.03 0.03 -0.02 0.07 -0.12 -0.12 0.02 -0.10 -0.03 0.01 0.04 0.05 -0.02 0.01 -0.05 0.02 0.03 -0.01 0.04 -0.07 -0.08 -0.02 0.07 -0.01 0.05 -0.01 0.04 -0.01 -0.01 -0.01 0.02 -0.06 0.20 -0.11 -0.00 0.08 -0.02 -0.11 0.38 -0.20 -0.01 0.13 -0.03 -0.04 0.20 -0.08 -0.03 -0.08 0.00 -0.01 0.07 -0.01 -0.01 -0.09 0.04 -0.01 -0.10 0.03 0.02 -0.10 0.04 -0.01 -0.08 0.02 0.04 -0.08 0.04 0.03 -0.07 0.02 0.01 0.02 0.06 -0.13 -0.11 -0.01 -0.08 -0.02 -0.11 0.10 0.05 0.04 0.13 -0.06 0.09 -0.01 0.02 0.05 0.01 -0.05 -0.01 -0.07 -0.01 -0.00 0.03 0.01 0.02 -0.15 0.47 -0.24 0.01 0.03 0.02 -0.02 -0.13 0.01 0.03 0.16 -0.03 -0.02 -0.10 0.03 0.03 -0.11 0.05 -0.02 -0.06 0.01 0.05 -0.08 0.04 0.25 0.09 -0.02 -0.10 0.16 0.05 0.05 -0.04 -0.05 0.14 -0.01 -0.00 -0.02 -0.07 0.15 -0.07 -0.06 0.10 -0.03 -0.03 0.05 -0.01 0.08 -0.04 0.10 -0.04 -0.05 0.01 -0.05 -0.01 0.01 0.03 0.02 -0.04 -0.07 0.01 0.10 -0.08 -0.08 -0.03 0.10 0.01 0.08 -0.07 -0.08 0.10 -0.03 -0.11 0.06 -0.09 -0.06 0.09 -0.00 -0.10 0.03 -0.05 -0.05 -0.06 0.01 0.04 0.00 0.04 -0.03 -0.08 -0.08 0.11 -0.16 -0.04 0.06 -0.13 -0.09 0.06 -0.19 -0.02 -0.01 -0.15 -0.08 -0.02 -0.19 -0.01 -0.02 0.04 -0.09 -0.04 0.04 0.12 -0.01 -0.03 0.10 0.06 -0.09 -0.19 0.08 -0.15 0.02 -0.07 -0.07 0.17 0.13 -0.04 0.10 0.04 -0.04 0.19 -0.12 0.10 -0.02 -0.12 0.07 -0.12 -0.05 0.11 0.04 -0.10 -0.09 0.02 0.06 0.04 0.07 -0.09 -0.21 -0.03 0.10 -0.13 -0.08 0.07 -0.19 -0.02 -0.04 -0.11 -0.08 -0.07 -0.02 -0.02 -0.03 -0.00 0.03 -0.01 0.04 0.05 0.02 0.03 0.04 0.03 -0.01 0.00 -0.04 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.02 0.02 0.02 0.01 0.02 0.03 -0.00 -0.00 -0.01 -0.02 0.02 0.03 0.02 -0.01 0.01 0.02 -0.03 0.02 0.02 -0.01 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.02 -0.02 -0.01 -0.02 -0.02 0.00 -0.02 -0.02 0.00 -0.02 -0.02 0.02 -0.02 -0.02 0.02 -0.02 -0.02 0.03 0.03 -0.01 0.03 -0.02 -0.04 -0.00 0.00 0.01 -0.05 -0.03 -0.02 0.05 -0.05 0.05 0.01 -0.19 -0.49 -0.28 -0.22 0.43 0.00 0.50 -0.14 0.31 -0.00 -0.01 0.00 0.02 0.00 -0.01 -0.00 0.01 -0.02 0.02 -0.02 -0.01 -0.01 0.01 0.02 -0.02 -0.03 -0.01 -0.03 -0.02 -0.00 -0.01 -0.02 0.02 -0.01 -0.02 0.03 -0.08 -0.02 0.02 0.02 0.04 -0.05 0.21 0.05 -0.07 -0.01 -0.08 -0.06 -0.03 0.01 -0.17 0.02 0.02 0.16 0.09 -0.05 0.09 -0.06 0.06 -0.05 0.05 -0.01 0.00 0.11 -0.01 -0.05 0.05 0.05 0.09 0.08 -0.04 -0.04 0.01 0.00 0.06 -0.10 0.17 -0.10 -0.00 -0.01 0.07 -0.03 -0.02 0.04 0.00 -0.00 0.03 -0.05 -0.01 -0.01 -0.04 0.00 -0.02 -0.07 0.09 0.09 0.03 -0.04 -0.04 -0.05 -0.06 -0.07 -0.03 -0.06 -0.02 -0.04 -0.05 -0.02 -0.01 -0.04 0.08 -0.00 -0.04 0.08 0.00 -0.04 0.09 0.14 -0.09 0.01 0.05 0.16 0.05 0.04 0.03 0.15 0.09 -0.02 -0.10 0.11 -0.06 0.02 -0.25 0.21 0.14 -0.10 0.20 -0.20 -0.17 0.28 -0.28 -0.06 -0.02 0.05 0.03 0.01 0.01 -0.06 0.01 -0.02 -0.13 0.18 0.12 0.07 -0.10 -0.13 -0.03 -0.07 -0.05 -0.06 -0.06 -0.05 0.00 -0.04 0.10 -0.00 -0.04 0.11 0.04 0.01 0.03 -0.02 -0.06 0.03 -0.03 -0.02 -0.05 -0.08 -0.10 -0.03 -0.01 -0.03 0.09 -0.00 -0.02 0.09 0.03 -0.04 0.05 -0.01 0.03 -0.03 -0.03 -0.04 -0.03 0.01 0.05 -0.04 0.01 -0.00 0.04 0.07 0.02 0.01 -0.05 0.01 -0.04 -0.03 0.05 -0.06 -0.04 0.01 -0.04 -0.03 0.02 -0.03 -0.04 0.00 -0.04 -0.01 -0.03 0.00 -0.00 -0.03 0.01 -0.03 0.02 0.05 0.03 -0.01 -0.02 0.03 0.03 0.03 0.01 0.05 0.01 0.05 0.03 -0.00 0.02 0.06 -0.04 0.04 0.05 -0.04 0.03 0.05 -0.05 -0.02 0.09 -0.03 0.03 0.08 0.01 0.00 -0.02 0.11 0.12 0.15 -0.03 0.18 -0.06 0.11 -0.27 -0.35 -0.26 -0.25 0.46 -0.12 0.36 -0.02 0.15 -0.02 0.03 -0.04 -0.05 0.00 -0.03 -0.00 -0.06 0.02 -0.07 0.05 0.07 0.05 -0.02 -0.07 0.01 0.06 0.03 0.07 0.02 0.02 0.01 0.07 -0.05 0.05 0.05 -0.05 0.02 0.02 0.01 0.14 0.10 -0.02 -0.17 -0.06 -0.04 -0.10 -0.06 -0.04 0.04 0.20 -0.08 0.03 0.02 0.03 0.04 -0.01 0.02 -0.02 0.00 -0.01 -0.09 -0.05 -0.05 -0.08 0.05 -0.06 -0.01 -0.02 0.01 -0.00 0.03 -0.02 -0.02 -0.06 0.00 -0.01 0.01 -0.05 0.01 -0.07 0.02 0.05 -0.05 0.06 0.02 -0.04 0.05 0.03 0.04 0.06 0.04 0.09 0.03 -0.01 0.03 0.02 0.01 -0.02 -0.01 0.05 0.10 0.12 0.13 -0.04 0.08 -0.05 0.09 0.12 -0.02 -0.22 -0.05 -0.16 -0.11 -0.03 -0.11 -0.23 -0.10 -0.11 0.13 -0.10 0.00 0.05 -0.01 -0.00 -0.08 0.08 0.04 0.13 -0.03 0.08 -0.04 0.04 -0.02 -0.10 -0.16 -0.06 0.11 -0.02 0.12 -0.03 0.05 0.10 -0.07 0.05 -0.05 -0.04 0.07 0.02 0.07 0.05 -0.02 0.05 0.03 0.02 -0.05 -0.02 0.28 -0.03 0.07 -0.08 0.18 0.16 0.02 -0.31 -0.08 -0.31 -0.12 -0.03 -0.05 0.05 0.11 0.04 -0.04 -0.02 -0.18 -0.05 -0.03 0.25 0.27 -0.06 -0.03 0.01 0.02 -0.02 -0.15 0.11 0.05 -0.14 0.07 0.09 -0.01 -0.04 0.02 -0.00 -0.07 -0.10 0.01 -0.09 0.03 -0.01 0.02 -0.10 0.05 -0.13 0.02 -0.09 0.01 -0.00 0.06 -0.05 -0.07 -0.04 0.03 0.03 -0.04 0.01 -0.09 0.02 0.01 -0.01 0.07 0.00 -0.06 0.06 0.01 0.02 -0.11 0.07 0.11 -0.03 -0.03 -0.04 -0.00 -0.05 -0.03 -0.02 -0.04 -0.00 -0.01 -0.05 0.02 0.01 0.03 0.04 0.02 0.03 0.06 0.01 0.05 -0.08 0.02 -0.18 0.08 0.07 -0.00 -0.01 0.01 0.11 -0.18 -0.14 0.02 -0.29 0.18 -0.38 -0.02 -0.00 -0.11 -0.08 0.17 0.05 0.15 0.09 -0.03 0.05 -0.06 0.02 -0.11 0.04 0.01 0.01 0.14 -0.00 -0.01 -0.14 0.10 0.16 0.02 -0.10 -0.02 -0.02 -0.06 0.00 -0.04 -0.08 0.01 0.03 0.04 0.04 0.02 0.04 0.01 -0.03 -0.04 -0.04 0.04 0.00 0.01 0.17 -0.03 -0.12 -0.01 0.00 0.03 -0.01 -0.04 -0.05 -0.16 0.13 0.01 -0.14 0.08 0.08 0.02 -0.05 -0.01 0.08 -0.02 -0.03 0.13 -0.02 0.03 -0.01 -0.00 -0.11 0.09 0.02 -0.02 0.14 -0.04 0.06 -0.13 -0.06 0.04 0.07 -0.02 -0.01 0.08 -0.01 0.07 -0.01 0.04 0.03 -0.08 0.06 0.05 -0.05 0.04 -0.02 -0.11 0.08 0.09 -0.01 -0.04 0.02 -0.00 -0.03 0.02 0.00 -0.03 -0.02 0.00 -0.01 0.01 -0.01 0.02 -0.03 -0.02 0.02 -0.03 -0.01 0.03 -0.02 0.11 -0.00 -0.01 0.01 -0.01 0.01 0.04 -0.03 -0.15 0.01 0.03 -0.17 0.15 0.11 0.29 0.00 -0.17 0.22 -0.41 -0.10 -0.19 -0.28 0.07 -0.03 0.10 -0.02 0.08 -0.04 0.05 0.04 -0.15 0.09 -0.06 -0.15 0.12 0.15 0.06 -0.11 0.01 -0.00 -0.04 -0.03 0.03 -0.02 0.03 -0.04 0.03 -0.03 -0.02 0.01 0.07 0.00 -0.03 -0.04 0.03 -0.06 -0.14 -0.09 -0.04 -0.06 -0.12 -0.01 0.07 0.02 0.10 0.00 0.04 -0.02 -0.01 0.04 -0.02 -0.03 0.01 0.01 -0.03 -0.05 -0.05 -0.07 0.02 -0.02 0.00 0.01 -0.01 0.03 -0.01 0.03 0.02 -0.01 -0.04 -0.00 -0.00 0.00 0.03 -0.02 -0.02 0.11 0.00 0.04 0.01 0.02 0.09 0.09 0.06 0.14 0.05 0.08 0.13 -0.01 0.04 -0.02 -0.03 0.01 0.01 -0.04 -0.03 -0.21 -0.04 -0.05 -0.22 -0.09 -0.03 -0.21 0.05 -0.02 0.14 -0.01 -0.01 0.13 0.06 0.02 0.30 -0.11 0.10 -0.05 0.05 0.06 -0.03 -0.01 -0.00 0.05 0.08 0.11 0.04 0.13 -0.09 0.10 -0.00 -0.07 -0.09 -0.05 0.06 0.05 0.10 -0.03 0.07 0.20 -0.01 0.02 -0.08 -0.01 0.14 0.13 0.08 0.17 -0.01 0.06 -0.02 -0.05 -0.01 0.03 -0.05 -0.07 -0.32 -0.14 -0.01 -0.30 0.09 -0.05 0.18 -0.03 -0.00 0.16 -0.02 -0.02 0.01 -0.02 0.04 0.00 -0.04 -0.11 0.07 0.00 0.04 -0.02 0.02 -0.00 -0.05 -0.07 -0.09 -0.06 -0.10 -0.02 -0.04 0.08 -0.01 0.02 0.01 0.04 0.02 0.03 -0.09 0.01 0.07 0.07 0.08 0.09 -0.03 -0.06 -0.03 0.14 -0.05 -0.05 0.10 0.03 0.00 0.08 -0.02 -0.03 0.09 -0.03 0.04 -0.02 0.03 0.02 -0.10 0.06 0.04 -0.07 0.04 0.03 -0.11 -0.04 -0.00 0.05 0.02 0.03 0.02 -0.01 0.04 0.01 -0.01 -0.00 0.02 0.01 0.01 -0.03 0.00 -0.03 -0.02 0.00 -0.03 -0.03 -0.00 0.02 -0.07 -0.01 0.36 0.07 0.08 -0.06 0.23 0.29 0.14 0.08 -0.13 0.18 -0.12 -0.10 -0.22 0.04 0.15 -0.15 0.28 0.03 0.08 0.22 -0.10 -0.06 0.11 -0.04 0.06 -0.04 0.04 0.04 -0.17 0.09 0.07 -0.20 -0.07 0.00 0.14 0.05 0.06 0.01 -0.02 -0.02 0.06 0.02 0.04 -0.06 0.01 -0.06 -0.02 0.00 -0.08 0.05 0.14 0.06 -0.02 -0.02 0.05 0.00 -0.12 0.14 -0.14 0.06 -0.07 0.02 -0.03 -0.04 0.01 -0.01 -0.06 0.04 -0.01 -0.03 0.04 0.01 0.14 -0.04 -0.13 -0.03 0.05 0.04 0.11 0.10 -0.06 -0.00 -0.02 0.17 0.02 0.06 -0.15 0.05 -0.10 0.04 -0.11 0.01 -0.04 0.05 0.03 -0.12 -0.08 -0.08 -0.02 0.08 -0.10 -0.02 -0.04 -0.08 0.00 -0.04 0.02 -0.01 -0.05 0.05 0.01 -0.03 0.06 -0.01 0.00 0.01 -0.02 -0.02 0.06 -0.01 -0.01 -0.04 0.02 -0.04 0.01 0.00 0.00 -0.04 0.01 -0.05 0.07 0.07 0.25 0.24 -0.11 0.02 0.22 0.09 -0.03 -0.10 0.30 -0.07 0.04 0.18 0.20 -0.08 -0.11 0.11 -0.23 0.07 -0.01 -0.22 0.19 0.04 0.06 -0.13 -0.06 -0.09 -0.02 0.14 -0.11 0.05 -0.03 0.02 -0.02 -0.05 0.06 0.02 0.07 0.01 -0.05 -0.02 0.08 0.00 0.01 -0.05 0.04 -0.11 0.01 0.02 0.10 -0.02 -0.09 0.16 -0.10 -0.04 0.10 0.08 0.04 -0.08 0.02 0.01 -0.13 0.08 0.09 -0.04 -0.04 -0.05 -0.06 -0.01 -0.04 0.05 -0.02 0.02 -0.02 0.04 0.04 0.07 0.03 0.01 0.07 0.09 0.13 -0.03 0.03 -0.00 -0.03 -0.02 -0.01 -0.00 -0.00 -0.04 -0.01 -0.06 -0.03 -0.02 -0.09 0.02 -0.06 -0.05 0.04 -0.07 0.02 0.02 -0.10 0.05 0.02 0.03 -0.07 -0.04 0.00 0.03 0.02 -0.14 0.07 0.03 -0.11 0.01 0.01 -0.07 0.05 -0.04 -0.08 -0.00 0.02 -0.02 0.06 0.02 0.05 -0.01 0.04 0.09 -0.02 0.04 0.46 0.14 0.11 -0.07 0.21 0.47 -0.06 -0.04 -0.07 -0.07 0.07 0.05 -0.04 0.00 0.01 0.03 -0.03 -0.14 -0.09 -0.02 -0.04 0.02 -0.14 0.05 -0.08 -0.10 0.08 -0.04 0.06 0.03 0.07 -0.14 -0.06 0.00 0.09 0.05 -0.07 0.00 -0.03 -0.06 -0.01 -0.09 -0.13 0.07 -0.01 -0.09 0.06 0.03 0.02 0.00 -0.01 0.05 0.01 -0.03 0.07 0.02 0.05 0.03 0.09 0.01 -0.04 -0.04 0.16 0.03 0.02 0.04 0.05 -0.02 0.03 -0.02 -0.00 -0.02 -0.01 0.02 0.05 0.04 -0.06 0.04 -0.08 -0.08 -0.06 0.03 -0.01 -0.04 -0.05 0.02 -0.02 -0.01 0.02 0.05 -0.05 0.02 -0.04 -0.08 0.06 -0.07 -0.04 -0.03 -0.05 -0.03 -0.09 -0.01 -0.01 -0.10 0.00 -0.00 0.03 0.03 0.02 -0.03 -0.01 0.02 0.13 -0.05 0.06 0.05 -0.09 -0.02 0.14 -0.04 0.03 -0.09 0.05 -0.10 -0.01 0.03 -0.02 -0.08 0.08 0.05 -0.10 0.06 -0.41 -0.21 -0.02 0.05 -0.18 -0.38 0.03 -0.01 -0.08 0.03 -0.02 -0.10 -0.06 0.03 0.13 -0.03 0.05 0.07 0.02 0.08 -0.03 -0.12 0.11 -0.09 -0.03 -0.01 -0.07 -0.04 -0.15 -0.00 -0.03 0.06 0.04 0.02 -0.07 -0.04 0.19 0.05 -0.17 -0.07 0.24 -0.01 0.09 -0.16 0.07 -0.23 -0.01 0.05 -0.07 0.01 0.05 -0.06 0.06 0.01 0.02 0.05 0.01 -0.05 -0.01 0.00 0.06 -0.09 0.17 -0.01 -0.01 -0.05 -0.03 0.01 -0.04 0.03 -0.01 0.02 -0.03 -0.01 0.03 0.05 0.06 -0.02 0.04 0.05 0.12 -0.05 0.03 0.01 0.01 -0.10 0.06 0.00 -0.00 -0.09 0.00 -0.04 0.02 0.00 -0.11 0.04 0.01 -0.02 -0.12 -0.01 0.05 -0.16 0.04 0.01 -0.13 0.02 -0.03 -0.03 -0.01 0.02 0.02 0.10 0.04 -0.04 0.10 0.03 -0.07 0.04 0.05 -0.02 0.07 -0.06 0.01 -0.03 -0.04 0.02 -0.03 -0.04 0.05 0.06 0.05 -0.03 0.38 0.13 0.09 -0.07 0.11 0.44 -0.10 -0.08 -0.01 -0.13 0.11 0.07 -0.02 -0.02 -0.07 0.04 -0.03 -0.21 -0.10 -0.05 -0.05 -0.02 -0.17 0.09 0.07 -0.03 -0.13 -0.07 0.03 -0.22 0.05 -0.07 -0.05 -0.01 0.05 0.05 0.17 0.03 -0.09 -0.01 0.16 0.01 0.13 -0.15 0.03 -0.08 -0.04 0.03 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 0.01 -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 -0.01 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 0.01 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.09 -0.05 -0.19 0.07 0.03 0.21 0.06 0.05 0.19 -0.06 -0.04 -0.20 0.01 0.01 -0.01 0.00 0.00 -0.00 0.02 0.01 0.00 -0.00 0.01 0.02 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.02 0.00 0.00 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.18 -0.09 -0.39 0.15 0.06 0.41 0.13 0.12 0.42 -0.12 -0.08 -0.44 -0.03 -0.00 0.03 0.01 -0.01 -0.00 0.04 0.05 -0.02 -0.08 -0.00 -0.06 0.01 0.02 0.04 -0.01 -0.02 0.02 0.01 -0.03 0.02 0.02 0.00 -0.01 -0.00 0.05 -0.03 -0.12 -0.07 0.04 0.01 0.03 -0.04 0.04 0.01 -0.07 -0.00 0.08 -0.04 -0.01 -0.00 0.16 -0.02 0.09 -0.04 0.07 -0.14 0.07 0.05 -0.11 0.00 0.03 0.06 -0.10 0.01 0.06 -0.09 -0.00 -0.02 0.02 0.02 -0.01 -0.01 -0.01 -0.00 0.02 -0.03 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 0.01 0.02 -0.11 -0.10 0.10 -0.06 0.01 -0.04 0.02 0.03 -0.11 0.15 0.26 -0.11 0.25 -0.19 -0.10 0.09 0.04 0.09 -0.06 -0.00 0.42 0.16 0.06 0.13 0.11 -0.34 0.20 0.15 -0.31 0.11 0.01 0.04 -0.11 -0.02 -0.04 0.03 0.03 0.00 -0.02 -0.05 -0.02 -0.04 -0.01 -0.02 -0.02 -0.02 0.02 -0.01 -0.00 -0.00 -0.04 -0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.07 -0.09 0.08 0.03 -0.00 0.07 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.01 0.01 -0.01 0.01 -0.00 0.02 0.01 0.04 0.14 0.04 -0.02 -0.02 -0.04 -0.04 -0.02 -0.01 0.06 -0.01 0.12 -0.05 -0.00 0.01 -0.15 -0.03 0.17 -0.08 0.04 -0.09 0.05 0.05 -0.10 0.05 0.01 0.04 -0.05 0.00 0.02 -0.04 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.02 -0.02 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 0.01 0.01 0.13 0.08 -0.09 -0.21 -0.13 -0.01 0.04 -0.06 -0.26 -0.10 -0.21 0.04 -0.17 0.14 0.12 -0.17 -0.05 -0.03 0.02 0.07 -0.43 -0.15 -0.02 -0.15 0.07 -0.28 0.17 0.15 -0.32 0.17 0.01 0.02 -0.05 -0.02 0.03 0.01 -0.01 -0.01 -0.00 -0.04 -0.01 -0.02 -0.01 -0.01 -0.02 -0.03 0.02 -0.01 -0.01 0.00 -0.03 -0.08 0.02 0.05 0.05 -0.04 -0.02 -0.06 -0.02 0.07 -0.09 -0.01 -0.01 0.02 0.10 0.03 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.03 0.04 0.02 0.01 -0.01 -0.03 -0.02 0.00 -0.01 0.01 -0.02 0.08 -0.00 0.03 -0.00 0.01 -0.03 0.11 -0.11 0.10 0.06 0.10 -0.08 0.08 0.02 -0.12 0.17 -0.13 -0.07 0.09 -0.02 -0.11 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.02 0.02 0.17 -0.11 -0.03 -0.01 -0.08 -0.03 -0.04 -0.08 0.03 -0.03 -0.03 0.03 -0.04 0.05 0.06 0.15 0.02 0.02 -0.04 -0.12 -0.09 0.03 0.01 -0.03 -0.11 0.00 0.03 -0.09 0.02 -0.01 0.03 -0.06 0.01 0.02 -0.01 0.04 -0.10 -0.03 0.03 -0.06 -0.05 0.23 -0.13 0.15 0.17 -0.24 0.15 -0.23 -0.06 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.23 -0.07 -0.21 -0.13 -0.14 -0.26 -0.19 0.05 -0.25 -0.09 -0.01 -0.25 0.02 -0.00 -0.00 -0.06 0.03 0.00 0.06 0.02 -0.02 0.04 0.03 0.01 0.02 0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.03 -0.01 0.02 -0.00 0.02 -0.01 -0.01 0.03 0.00 0.01 0.01 -0.08 -0.03 -0.04 0.00 -0.01 0.02 -0.10 0.01 -0.08 -0.04 -0.02 -0.01 -0.08 -0.04 0.01 -0.07 0.03 0.04 -0.01 -0.00 0.05 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.11 0.02 0.22 0.06 -0.05 -0.03 0.03 -0.04 -0.02 0.04 -0.03 -0.09 0.02 -0.03 -0.09 0.09 0.03 0.19 0.03 -0.02 0.04 0.05 0.02 0.02 -0.02 -0.02 0.10 -0.02 -0.04 0.01 -0.04 0.04 -0.02 -0.00 -0.01 0.02 0.00 -0.01 0.01 -0.01 -0.01 0.02 0.02 -0.04 -0.02 -0.16 -0.07 0.06 -0.07 0.07 0.03 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.06 -0.12 -0.37 -0.07 -0.13 -0.35 -0.07 -0.12 -0.44 -0.07 -0.11 -0.44 0.01 -0.04 -0.07 0.03 -0.02 -0.01 -0.07 -0.04 -0.11 0.15 -0.07 -0.01 -0.02 -0.07 0.05 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.02 0.02 0.00 0.07 -0.03 -0.05 -0.12 0.01 -0.07 0.06 0.03 -0.05 0.02 -0.05 0.04 0.00 0.07 0.18 0.01 0.00 -0.02 0.11 0.13 0.12 -0.16 0.01 0.15 0.14 0.07 0.03 -0.15 -0.02 -0.04 0.00 -0.06 -0.06 -0.02 0.01 0.00 -0.01 0.01 0.00 0.03 0.05 0.09 -0.02 0.05 -0.01 -0.02 0.05 -0.00 -0.05 -0.00 -0.02 -0.06 0.01 -0.02 0.01 0.01 0.10 -0.13 0.04 -0.09 0.12 0.12 -0.08 0.02 0.07 0.04 0.04 0.01 0.22 0.04 -0.08 -0.04 0.14 0.02 -0.15 0.01 -0.05 0.12 0.09 -0.03 0.03 -0.31 -0.01 0.22 0.30 0.07 -0.02 -0.26 -0.10 -0.13 -0.02 0.03 0.00 -0.01 0.01 -0.00 -0.05 0.02 -0.16 -0.08 0.06 -0.12 -0.09 -0.05 -0.18 -0.15 -0.02 -0.16 0.01 0.01 -0.03 -0.05 0.03 0.01 -0.00 -0.05 0.00 0.04 0.01 0.04 0.01 0.10 0.11 0.01 0.01 0.00 -0.02 -0.03 0.03 0.01 0.02 -0.02 0.04 0.05 -0.05 0.05 -0.02 0.02 0.07 0.07 -0.11 0.02 -0.02 0.04 -0.11 0.13 -0.05 -0.00 -0.01 0.01 0.03 -0.24 0.14 -0.12 0.03 0.03 -0.04 -0.05 -0.03 -0.06 -0.10 0.06 -0.07 0.27 -0.17 -0.02 -0.02 0.02 0.00 0.01 -0.01 -0.02 -0.02 -0.01 0.04 -0.09 -0.01 0.03 -0.04 -0.01 0.08 -0.03 -0.00 0.07 -0.00 -0.01 0.05 -0.01 -0.04 0.04 -0.00 0.01 -0.04 0.06 -0.11 0.08 0.11 -0.21 0.00 -0.06 0.02 -0.01 0.02 0.04 -0.06 -0.03 0.05 -0.00 0.02 -0.06 -0.03 -0.00 -0.01 -0.08 -0.14 0.14 -0.01 -0.20 0.06 -0.03 -0.58 0.24 -0.06 -0.06 0.06 0.01 0.01 -0.02 0.07 -0.08 0.05 0.08 -0.08 0.03 0.09 0.01 0.06 0.12 0.01 0.04 -0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.07 0.04 -0.10 0.11 0.04 0.01 0.11 0.12 0.05 -0.01 -0.02 0.01 0.03 0.06 -0.04 -0.02 -0.03 0.03 -0.09 -0.13 0.02 -0.05 0.01 -0.03 -0.10 -0.13 0.16 -0.00 -0.00 0.00 -0.12 0.00 0.03 0.01 0.00 -0.01 -0.06 0.09 -0.08 -0.06 0.13 0.06 0.05 -0.13 -0.07 0.04 -0.07 0.03 0.12 0.05 -0.06 0.03 0.05 -0.04 -0.01 -0.01 0.01 -0.03 -0.06 -0.03 -0.03 -0.08 -0.01 -0.11 -0.05 0.01 0.04 0.05 0.02 -0.02 0.07 0.04 -0.02 0.03 -0.07 -0.04 -0.02 -0.00 0.13 -0.04 0.13 -0.13 -0.19 0.41 -0.01 -0.03 0.11 -0.04 0.02 -0.08 0.10 0.02 -0.09 0.01 -0.04 0.09 0.05 -0.02 0.03 -0.03 0.12 0.06 0.07 -0.28 0.02 -0.06 -0.30 0.00 0.10 0.14 -0.10 -0.02 -0.02 0.02 -0.08 -0.06 0.13 -0.05 -0.07 0.10 0.06 0.13 0.16 0.08 0.10 0.15 -0.00 0.00 0.00 -0.02 0.01 0.00 -0.03 0.14 0.01 0.01 0.03 0.19 -0.03 0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.06 0.10 -0.13 -0.10 -0.14 0.01 -0.03 0.04 0.03 -0.16 0.04 0.02 0.01 -0.03 0.06 0.04 -0.18 0.00 -0.01 -0.01 0.02 -0.02 -0.05 -0.02 -0.00 0.02 0.02 -0.01 -0.00 -0.04 0.02 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.01 0.02 -0.00 -0.00 0.00 0.00 0.05 0.00 -0.02 -0.01 -0.02 0.01 0.04 -0.03 -0.01 0.02 -0.02 -0.00 -0.05 -0.21 -0.24 -0.01 -0.09 0.06 0.02 -0.01 -0.01 0.21 0.25 0.12 0.34 -0.47 -0.07 0.19 0.11 -0.25 0.04 -0.02 0.05 0.17 0.08 -0.22 0.03 -0.03 -0.05 -0.02 -0.03 0.04 0.07 -0.01 0.05 0.01 0.03 -0.02 -0.00 0.02 -0.00 0.04 0.00 -0.01 0.06 -0.01 -0.02 -0.01 -0.02 0.00 0.02 -0.03 -0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.01 0.02 -0.02 -0.03 0.02 0.00 -0.05 -0.01 0.02 -0.03 -0.04 -0.05 0.04 0.04 0.05 -0.04 -0.02 -0.04 0.02 -0.02 -0.05 -0.00 0.00 0.03 0.02 -0.06 -0.06 0.07 -0.01 0.04 -0.01 -0.02 0.04 -0.02 -0.01 -0.00 0.03 0.01 -0.01 0.01 0.01 0.06 0.01 0.02 -0.03 0.01 0.04 -0.02 0.03 -0.01 0.11 -0.07 0.04 0.05 -0.04 -0.00 -0.01 0.01 0.04 0.08 -0.03 -0.13 0.26 0.01 0.29 0.02 -0.08 -0.28 -0.03 0.09 0.14 -0.28 -0.01 -0.03 -0.08 0.05 -0.01 0.05 0.05 0.00 -0.03 0.06 -0.07 -0.07 0.14 -0.05 -0.05 0.00 -0.09 0.11 -0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.02 -0.02 0.06 0.06 -0.02 0.06 0.07 -0.17 0.10 0.09 -0.23 0.13 0.12 0.16 -0.12 0.00 -0.00 0.01 -0.05 0.25 -0.05 0.23 0.09 -0.10 -0.26 -0.11 0.04 0.04 -0.29 -0.03 -0.00 -0.00 -0.00 0.02 -0.02 -0.00 0.02 -0.00 -0.02 0.01 0.04 0.06 0.08 0.04 -0.02 0.15 0.20 -0.14 -0.11 -0.12 0.10 0.05 0.12 -0.07 -0.05 -0.01 -0.01 0.02 -0.03 -0.00 0.05 0.01 -0.05 0.01 -0.03 0.03 -0.07 -0.05 0.03 0.01 -0.00 -0.01 -0.06 -0.01 -0.04 -0.01 0.04 0.09 -0.02 -0.06 -0.09 0.01 0.03 0.02 0.10 -0.04 0.02 -0.12 -0.14 0.11 -0.01 0.03 -0.01 0.04 -0.00 -0.01 -0.06 0.09 -0.01 0.03 -0.02 -0.02 -0.09 0.04 0.04 0.01 -0.08 0.03 -0.05 0.00 -0.00 0.02 -0.03 -0.02 0.11 0.03 -0.05 0.09 -0.10 0.04 0.02 -0.01 0.01 0.03 -0.04 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.02 0.01 0.01 -0.03 0.01 0.10 0.05 -0.10 0.02 -0.12 -0.10 0.07 -0.11 -0.39 -0.52 0.37 -0.03 -0.01 0.00 -0.10 0.09 0.02 0.00 0.03 -0.00 -0.07 0.02 0.07 0.03 -0.07 0.06 0.02 -0.02 -0.02 -0.09 0.05 0.02 -0.03 -0.01 0.02 0.00 -0.04 -0.06 -0.15 0.21 0.07 0.02 0.03 -0.02 -0.02 -0.02 0.01 0.00 0.01 -0.00 0.04 -0.00 0.01 -0.01 0.03 0.00 0.02 -0.00 -0.00 -0.01 0.02 -0.02 0.07 -0.04 0.13 -0.01 0.00 0.01 -0.04 0.15 0.01 0.02 0.04 0.05 -0.00 -0.05 -0.02 0.06 -0.05 -0.08 -0.02 -0.15 0.02 -0.02 -0.01 0.01 -0.00 0.01 -0.00 -0.13 0.09 0.08 -0.04 -0.19 -0.03 0.14 0.02 -0.13 0.03 -0.14 0.09 0.19 0.02 -0.00 0.13 -0.12 -0.14 -0.02 0.04 0.02 0.01 -0.03 0.01 0.02 -0.01 -0.02 -0.02 -0.01 0.01 -0.04 0.05 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.03 -0.17 0.24 -0.03 0.10 0.10 -0.15 -0.04 0.22 -0.27 -0.05 -0.06 0.04 0.00 0.02 -0.01 0.18 -0.18 -0.09 0.26 -0.20 -0.15 0.01 0.01 0.26 0.16 0.05 0.17 0.01 -0.01 -0.02 0.01 -0.01 -0.00 -0.02 -0.01 0.02 -0.03 0.03 0.08 0.06 0.05 -0.02 -0.09 -0.10 0.08 0.04 0.01 -0.01 -0.04 -0.09 0.05 0.02 0.06 -0.05 0.03 -0.04 0.00 0.05 0.13 -0.13 0.01 -0.03 0.03 -0.08 0.01 0.04 0.01 -0.00 -0.01 -0.10 -0.07 0.02 0.01 0.02 0.18 -0.08 -0.06 -0.15 0.02 0.06 -0.01 0.10 -0.11 0.05 0.07 0.07 -0.04 0.04 0.03 -0.03 0.03 -0.01 0.02 -0.03 0.03 -0.03 -0.01 -0.03 -0.02 -0.03 0.03 0.03 0.00 -0.03 0.03 -0.04 0.01 -0.03 0.04 -0.05 -0.03 -0.02 0.18 -0.15 0.01 0.23 -0.18 0.04 0.03 -0.04 0.07 -0.09 0.04 -0.04 -0.01 0.04 0.00 0.02 -0.05 -0.00 0.02 -0.05 -0.02 0.12 0.13 -0.21 0.18 -0.27 -0.17 0.23 -0.24 0.23 0.30 -0.20 0.12 0.13 -0.11 -0.08 0.03 -0.02 -0.02 -0.01 -0.02 -0.01 0.03 0.08 0.04 -0.02 0.08 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.07 0.08 -0.06 -0.13 -0.17 0.13 -0.13 -0.17 0.13 -0.01 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.03 0.02 -0.00 0.01 -0.01 0.02 -0.01 -0.01 -0.00 0.00 0.01 0.02 0.02 -0.01 -0.00 -0.01 -0.04 0.02 0.01 0.03 -0.00 -0.01 0.01 -0.02 0.03 -0.01 0.04 0.08 -0.05 0.12 0.20 -0.13 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.01 0.01 0.01 0.03 -0.06 0.02 0.01 -0.07 0.03 -0.01 -0.01 0.01 -0.02 0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.03 0.04 -0.05 0.06 0.03 -0.05 0.05 0.11 0.20 -0.12 0.40 0.59 -0.41 0.01 -0.00 0.01 0.00 0.01 0.02 -0.00 -0.00 -0.02 -0.01 0.00 -0.02 0.04 -0.01 -0.05 -0.01 0.01 -0.00 -0.01 0.00 0.02 0.00 -0.01 -0.02 -0.10 -0.11 -0.05 0.02 0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.02 0.01 -0.02 0.01 -0.01 -0.00 -0.04 0.03 -0.01 0.01 -0.01 -0.00 0.05 0.09 -0.00 0.01 -0.01 -0.14 0.00 0.09 0.15 0.18 0.20 -0.13 -0.09 -0.08 0.19 0.02 -0.04 -0.06 0.01 -0.06 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.09 -0.03 -0.18 0.07 -0.03 0.12 0.03 0.06 0.12 0.01 -0.06 -0.13 -0.05 0.03 -0.13 0.10 0.03 0.18 -0.02 0.01 -0.01 0.01 -0.07 0.05 0.01 -0.05 0.04 -0.00 0.01 0.01 -0.00 0.00 -0.02 0.02 0.01 -0.03 -0.00 -0.00 0.01 0.01 0.00 0.00 0.09 0.15 0.24 -0.04 -0.17 -0.05 0.19 -0.09 -0.00 -0.03 -0.03 0.02 -0.01 -0.00 0.01 0.18 0.01 0.30 0.10 0.07 0.28 -0.06 -0.07 -0.29 -0.13 -0.00 -0.29 0.02 -0.00 -0.03 0.01 -0.00 0.00 -0.00 0.01 0.02 0.02 -0.02 -0.04 -0.06 -0.14 -0.07 0.03 0.01 -0.02 -0.02 0.00 0.00 -0.01 0.01 0.01 0.02 -0.02 0.03 -0.03 0.02 -0.01 0.01 -0.08 0.07 -0.01 0.01 -0.02 -0.00 0.10 -0.00 -0.00 0.01 -0.01 -0.06 -0.06 0.09 0.10 0.08 0.09 -0.09 -0.00 -0.01 0.10 0.05 -0.03 -0.08 0.02 -0.03 -0.02 -0.00 -0.01 -0.01 0.02 0.00 0.10 0.03 0.20 0.02 0.03 -0.09 -0.05 -0.01 -0.07 0.08 0.04 0.10 0.00 0.03 0.12 -0.09 -0.03 -0.17 -0.02 0.01 0.01 -0.00 -0.15 0.09 0.03 -0.10 0.03 -0.01 0.00 0.03 -0.02 0.02 -0.03 0.03 0.01 -0.04 -0.00 -0.01 0.03 0.01 -0.00 0.01 0.12 -0.10 0.21 -0.03 -0.08 0.02 0.19 -0.14 0.12 -0.04 -0.01 0.01 -0.01 0.02 0.00 -0.14 -0.06 -0.51 -0.20 -0.03 -0.41 0.10 -0.02 0.06 0.00 0.03 0.13 -0.01 0.00 0.01 -0.01 0.01 0.00 0.05 -0.05 -0.09 0.03 0.05 0.03 -0.01 0.02 0.01 0.02 0.01 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.06 -0.03 0.00 -0.00 0.00 -0.00 -0.04 -0.10 0.09 0.00 0.02 0.02 -0.11 0.26 -0.17 -0.01 0.00 0.00 0.11 -0.16 0.08 0.03 -0.09 0.04 0.04 0.08 -0.03 -0.02 0.11 -0.07 0.06 -0.15 0.08 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.05 0.02 -0.02 -0.02 -0.05 0.03 0.03 0.04 -0.01 -0.03 -0.05 -0.00 0.02 0.04 -0.04 0.06 -0.02 0.02 -0.02 0.02 0.03 0.00 -0.13 0.10 -0.02 -0.17 0.13 -0.02 -0.02 0.02 -0.04 0.05 -0.00 0.03 0.00 -0.04 0.00 -0.02 0.04 0.02 -0.02 0.03 0.15 -0.38 0.21 -0.05 0.52 -0.29 -0.02 0.14 -0.09 -0.03 -0.01 0.01 -0.01 0.01 0.00 0.07 -0.04 0.10 0.09 -0.01 0.06 -0.06 0.02 0.03 -0.02 0.05 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.07 0.15 0.17 0.07 -0.11 -0.15 0.06 0.08 0.02 0.06 -0.11 0.02 -0.06 0.08 0.01 -0.10 0.08 0.02 0.12 0.01 0.07 -0.04 0.05 -0.00 0.30 -0.22 0.01 0.00 0.01 -0.12 -0.02 0.04 -0.03 -0.01 0.01 0.01 -0.04 -0.05 -0.02 -0.05 -0.05 -0.01 -0.04 -0.04 -0.04 -0.06 0.00 0.01 0.04 -0.03 0.04 -0.08 0.03 -0.05 -0.08 0.07 0.03 0.02 -0.02 -0.04 0.00 0.03 -0.00 -0.01 -0.04 0.02 -0.01 0.03 -0.03 -0.01 -0.05 -0.01 -0.02 0.03 0.04 -0.01 0.00 0.01 0.17 -0.43 0.08 0.34 -0.20 -0.18 -0.02 -0.04 0.03 -0.04 0.05 -0.15 -0.01 0.02 0.01 -0.01 0.01 0.02 -0.01 0.02 -0.00 -0.06 -0.05 -0.00 -0.16 0.10 -0.10 -0.12 0.06 -0.06 -0.11 0.19 -0.05 -0.09 0.03 0.01 -0.01 0.06 0.15 0.01 0.01 0.13 0.02 0.02 0.02 0.05 -0.04 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.02 -0.05 -0.10 -0.13 0.17 0.16 -0.03 -0.06 -0.01 0.04 -0.11 0.03 -0.01 0.07 0.04 -0.08 0.06 0.01 -0.09 -0.08 -0.08 0.08 -0.04 0.02 0.23 -0.17 -0.16 -0.01 0.02 -0.02 0.00 -0.06 0.02 0.00 -0.02 0.04 0.04 0.04 -0.01 0.02 0.02 0.00 0.05 0.03 0.03 0.04 -0.01 0.01 -0.01 0.03 -0.03 -0.06 0.03 -0.02 -0.06 0.05 0.02 -0.02 0.02 0.02 -0.01 -0.03 0.01 0.01 0.04 -0.01 -0.01 -0.03 0.02 0.01 0.05 -0.00 0.02 -0.02 -0.02 0.06 -0.01 -0.00 0.47 0.02 -0.22 0.16 -0.24 0.26 -0.01 0.03 -0.31 0.02 -0.00 0.00 -0.09 -0.05 0.12 -0.00 0.02 -0.05 -0.04 -0.00 0.00 0.04 0.11 -0.07 0.14 -0.10 0.10 0.06 0.00 0.03 -0.06 0.25 -0.05 -0.05 -0.00 -0.03 0.01 -0.05 -0.09 0.00 0.00 -0.09 -0.05 -0.01 -0.03 -0.06 0.04 -0.02 -0.02 0.01 0.02 -0.02 0.01 0.01 -0.06 0.13 0.09 0.06 -0.06 -0.04 0.07 -0.12 -0.05 -0.01 0.01 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.02 -0.02 -0.02 0.04 0.00 0.01 -0.02 0.04 -0.04 0.03 -0.07 -0.03 -0.05 -0.06 -0.02 0.01 -0.01 0.03 0.04 -0.04 -0.09 -0.02 0.05 0.02 0.05 -0.01 -0.06 -0.05 0.09 0.06 0.09 0.02 0.01 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.04 0.02 0.00 -0.06 -0.09 0.09 0.03 0.13 -0.05 -0.11 -0.10 0.11 0.01 0.18 -0.05 0.08 -0.06 -0.05 0.05 -0.02 -0.05 0.03 0.13 -0.08 -0.04 0.05 0.03 0.02 -0.09 0.02 0.01 -0.06 -0.04 -0.10 -0.04 0.11 0.00 0.03 -0.09 -0.06 -0.00 0.00 0.18 -0.17 0.12 -0.03 -0.12 0.04 -0.00 -0.33 0.24 -0.00 -0.03 0.02 0.01 -0.00 -0.01 -0.10 -0.17 -0.34 0.11 0.09 0.03 -0.32 -0.01 -0.23 -0.14 0.20 0.11 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.01 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 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 0.01 0.01 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 0.02 0.06 -0.03 -0.03 -0.06 0.04 0.03 0.05 -0.03 -0.04 -0.07 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.02 0.01 0.01 -0.01 -0.01 -0.00 0.02 -0.00 -0.00 0.01 0.01 0.02 0.01 -0.02 -0.00 -0.01 0.02 0.01 0.00 -0.00 -0.02 0.00 -0.00 -0.00 0.03 -0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.15 -0.08 -0.42 0.16 0.11 0.51 -0.11 -0.08 -0.41 0.20 0.07 0.48 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.07 0.10 0.01 0.02 -0.01 0.01 -0.03 0.03 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.04 -0.04 -0.04 0.06 0.00 0.02 -0.04 -0.01 -0.05 0.03 -0.08 -0.03 0.02 -0.00 0.02 0.00 -0.01 0.06 -0.01 0.02 0.03 0.00 0.04 -0.03 0.00 0.00 0.05 0.01 0.05 -0.07 -0.03 -0.05 0.02 0.01 0.02 0.01 0.01 -0.01 -0.00 0.02 0.01 0.06 0.01 0.01 -0.06 -0.02 -0.04 -0.03 0.02 0.02 -0.06 -0.01 -0.06 -0.02 -0.01 0.02 0.05 0.07 0.02 -0.09 0.14 0.17 -0.11 -0.10 -0.03 0.21 0.02 -0.12 -0.11 0.02 -0.07 -0.03 -0.14 -0.08 0.15 0.02 0.03 -0.13 -0.11 -0.04 0.06 0.08 -0.31 0.19 0.01 0.17 -0.07 0.15 -0.38 0.20 -0.04 -0.06 0.05 0.01 -0.01 -0.02 0.09 0.08 0.25 0.05 0.03 0.22 0.16 0.04 0.25 0.13 -0.01 0.21 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.07 0.11 -0.01 0.04 -0.02 -0.00 -0.03 0.02 0.03 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.05 -0.02 -0.03 0.07 0.00 0.02 -0.05 -0.02 -0.01 0.04 -0.09 -0.03 -0.03 0.07 -0.04 0.00 -0.01 0.07 0.02 -0.01 0.02 0.02 -0.05 0.03 0.01 0.02 0.01 0.04 -0.07 0.02 -0.02 0.02 -0.02 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.07 0.03 0.03 0.04 0.01 -0.02 0.05 0.05 0.03 0.03 0.01 -0.03 0.04 -0.03 0.00 -0.04 0.06 0.05 -0.11 0.08 0.09 -0.05 -0.09 -0.04 0.17 0.02 -0.16 -0.08 0.00 -0.07 -0.03 -0.14 -0.08 0.16 0.02 0.03 -0.14 -0.13 -0.05 0.08 -0.09 0.27 -0.15 0.06 -0.00 0.01 -0.09 0.46 -0.27 -0.04 -0.07 0.05 0.01 -0.01 -0.01 -0.09 -0.04 -0.27 -0.08 -0.07 -0.18 -0.05 -0.07 -0.31 -0.04 -0.08 -0.22 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 0.02 -0.01 -0.01 0.01 -0.05 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.02 0.01 -0.02 -0.00 -0.02 0.04 -0.03 0.00 -0.00 0.01 0.01 -0.03 0.00 0.02 -0.04 0.04 -0.01 0.05 -0.03 0.02 -0.05 0.05 -0.01 0.04 -0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 0.02 0.11 -0.03 -0.02 -0.05 -0.01 0.02 -0.06 -0.04 -0.03 -0.04 -0.02 0.02 -0.06 0.03 -0.00 0.05 0.01 0.01 -0.02 -0.02 -0.02 0.02 -0.00 -0.01 0.00 0.00 -0.04 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 0.03 0.00 0.01 -0.03 -0.02 -0.01 0.01 -0.07 0.31 -0.18 0.08 -0.30 0.17 -0.10 0.41 -0.20 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.10 0.05 0.27 0.10 0.09 0.26 0.08 0.07 0.35 0.08 0.11 0.37 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.02 0.03 -0.02 -0.00 0.00 -0.01 0.03 0.03 -0.02 -0.01 0.00 0.01 0.01 0.00 0.00 -0.01 0.01 0.00 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.09 -0.13 0.09 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.02 0.02 0.00 -0.03 -0.00 -0.00 -0.01 -0.00 -0.02 -0.01 0.01 0.00 0.00 -0.02 -0.02 -0.01 0.02 0.01 -0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 0.01 0.45 0.73 -0.45 0.07 0.11 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.03 -0.10 -0.02 0.02 0.03 0.02 -0.04 -0.01 0.00 -0.00 0.01 -0.02 -0.01 -0.02 0.00 -0.00 0.01 0.03 0.05 0.06 0.02 0.08 0.01 0.03 0.02 0.07 0.02 -0.11 -0.06 0.02 -0.01 0.01 -0.03 0.04 0.06 -0.03 0.03 -0.02 -0.00 0.00 -0.01 0.01 -0.12 0.05 -0.00 -0.01 0.03 -0.01 0.07 -0.04 0.00 -0.01 -0.01 0.01 0.02 -0.01 0.02 -0.00 0.02 -0.01 -0.01 -0.00 0.00 0.02 -0.01 -0.03 -0.02 0.00 -0.01 0.03 -0.01 0.01 -0.01 0.00 -0.01 0.15 -0.10 -0.16 -0.15 0.13 0.10 0.04 -0.20 0.01 -0.15 -0.21 -0.00 -0.09 -0.04 0.02 -0.07 -0.13 0.07 -0.08 -0.12 -0.18 -0.19 0.33 -0.02 0.03 -0.02 -0.20 0.54 -0.32 -0.02 0.04 -0.01 -0.00 -0.03 -0.01 -0.06 -0.05 0.07 -0.00 -0.00 0.02 0.01 0.03 0.01 -0.02 0.01 0.06 -0.02 0.04 0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 0.07 0.02 -0.02 -0.02 -0.02 -0.04 0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 0.00 0.00 -0.01 -0.03 -0.03 -0.05 -0.01 -0.06 -0.00 -0.02 -0.02 -0.04 -0.02 0.08 0.05 -0.02 0.01 -0.02 0.02 -0.03 -0.05 0.01 0.03 -0.03 0.01 0.00 0.01 0.05 -0.11 0.08 0.02 -0.03 0.03 -0.03 0.08 -0.06 0.00 0.01 0.01 -0.01 -0.02 0.01 0.01 0.00 0.03 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.01 -0.11 0.07 0.11 0.10 -0.08 -0.06 -0.03 0.13 -0.01 0.11 0.17 -0.00 0.07 0.03 -0.02 0.05 0.10 -0.06 0.07 0.09 0.14 0.14 -0.25 0.02 0.07 -0.03 -0.16 0.66 -0.37 -0.04 0.19 -0.08 -0.01 0.00 0.01 0.08 0.09 -0.09 0.01 0.01 0.02 0.00 0.02 0.01 0.03 0.01 0.07 0.01 0.02 0.07 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.02 0.02 -0.02 0.01 0.03 -0.01 0.01 0.01 0.01 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.01 -0.09 -0.13 0.09 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.02 -0.03 0.02 0.01 0.01 -0.03 0.00 -0.02 -0.04 0.00 -0.01 -0.01 0.01 -0.01 -0.03 0.01 -0.02 -0.02 -0.03 -0.03 0.05 -0.01 -0.01 0.00 0.00 -0.04 0.02 0.00 -0.02 0.01 -0.07 -0.12 0.07 0.47 0.69 -0.48 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.02 0.03 -0.01 -0.03 0.00 -0.00 0.00 -0.07 0.05 -0.13 0.00 -0.03 0.02 0.19 0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.07 0.03 0.07 -0.12 -0.02 -0.01 -0.02 0.05 0.01 0.09 0.03 0.05 0.04 0.04 0.03 -0.10 0.02 -0.16 0.04 0.16 -0.02 -0.08 -0.09 -0.11 0.02 0.09 0.04 -0.05 -0.13 -0.02 0.01 0.02 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.06 -0.03 -0.02 -0.03 -0.03 0.01 0.01 0.04 -0.02 -0.09 -0.03 0.06 -0.00 0.09 0.00 0.01 -0.01 -0.01 -0.05 0.06 -0.02 -0.02 -0.10 0.08 0.00 -0.03 0.02 -0.04 -0.05 0.08 -0.07 0.18 0.12 -0.21 -0.01 0.41 -0.11 0.14 0.08 0.13 0.21 -0.37 -0.26 -0.02 -0.06 -0.14 0.04 0.10 0.09 -0.09 -0.07 0.00 -0.00 -0.01 -0.01 -0.02 0.02 -0.05 -0.03 0.08 0.02 0.08 0.03 -0.18 0.02 -0.05 -0.12 0.07 -0.11 0.02 -0.00 -0.02 0.00 -0.00 0.00 0.08 -0.05 0.16 -0.01 0.04 -0.02 0.12 0.01 -0.00 -0.00 0.01 -0.02 0.02 0.00 0.03 -0.00 -0.00 -0.01 0.03 -0.10 -0.07 -0.07 0.11 0.02 -0.06 -0.03 -0.08 -0.04 -0.08 -0.01 0.01 0.06 0.00 -0.02 0.10 -0.03 -0.09 0.02 0.10 -0.02 -0.04 -0.06 -0.06 0.03 0.07 0.03 -0.07 -0.07 -0.02 0.01 0.00 -0.00 0.01 0.02 0.01 -0.00 -0.01 0.04 -0.02 -0.01 -0.02 -0.02 0.01 0.01 0.03 -0.01 -0.06 -0.02 0.04 -0.00 0.06 0.00 0.01 -0.01 -0.01 0.08 -0.12 0.01 0.20 0.18 -0.16 -0.15 -0.01 0.24 0.05 0.14 -0.07 0.11 -0.23 -0.14 0.19 0.01 -0.38 0.11 -0.12 -0.12 -0.14 -0.19 0.34 -0.14 -0.08 -0.00 -0.07 0.04 0.07 0.01 0.13 -0.16 0.01 0.04 0.01 -0.01 -0.05 -0.01 -0.03 -0.02 0.05 0.01 0.05 0.02 -0.11 0.01 -0.04 -0.07 0.04 -0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 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 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.04 0.03 0.02 0.08 0.02 0.01 0.07 -0.04 -0.02 -0.08 -0.02 -0.01 -0.07 0.01 0.00 0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.04 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 -0.17 -0.10 -0.49 -0.14 -0.11 -0.43 0.16 0.10 0.50 0.14 0.09 0.40 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.02 -0.04 -0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.02 0.00 -0.03 0.00 -0.01 -0.03 0.01 -0.01 0.04 -0.11 0.03 0.05 0.01 -0.00 0.00 0.05 -0.00 0.06 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.14 -0.14 -0.36 -0.06 -0.05 0.05 0.05 -0.04 -0.05 0.08 0.49 0.24 0.21 -0.27 -0.09 -0.23 -0.15 0.22 0.09 0.08 -0.38 -0.24 -0.07 0.06 -0.01 0.05 -0.02 0.00 -0.00 -0.01 -0.01 -0.06 0.03 -0.00 0.01 -0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.00 -0.00 -0.00 -0.06 -0.06 -0.15 0.15 -0.15 -0.07 -0.16 0.31 0.29 -0.00 0.04 0.02 0.00 -0.00 0.00 -0.05 -0.00 -0.03 -0.00 -0.01 0.02 0.01 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 0.00 -0.16 0.01 -0.12 0.25 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 0.10 -0.09 0.00 -0.13 0.12 0.02 0.01 0.03 0.06 0.01 -0.03 0.00 0.00 -0.01 -0.02 0.02 -0.01 -0.04 -0.03 -0.02 0.04 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.02 0.22 -0.33 -0.37 0.31 -0.35 -0.12 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -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 -0.07 0.03 0.01 0.09 0.02 0.01 0.08 -0.03 -0.01 -0.09 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.06 0.03 -0.00 -0.01 0.00 -0.00 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.09 0.40 -0.16 -0.13 -0.48 -0.15 -0.10 -0.42 0.17 0.11 0.49 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.02 0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.02 0.01 -0.01 0.02 -0.02 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.04 -0.10 0.07 0.00 -0.00 0.02 -0.02 0.08 -0.06 -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 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.04 0.03 -0.00 -0.01 -0.02 -0.00 0.03 0.00 -0.04 0.01 -0.01 0.01 0.01 0.05 0.02 -0.06 0.01 -0.01 0.01 0.01 -0.01 0.02 -0.21 0.66 -0.39 -0.03 0.07 -0.02 0.12 -0.48 0.25 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.01 0.00 0.02 -0.02 -0.01 -0.06 -0.01 -0.00 -0.02 0.02 0.01 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.06 0.02 -0.02 -0.07 -0.01 -0.00 -0.00 -0.02 -0.04 -0.09 0.16 0.13 0.33 -0.03 -0.04 -0.09 -0.03 0.16 0.15 0.01 -0.03 -0.00 -0.07 -0.04 -0.09 -0.00 -0.00 0.04 0.03 0.01 0.03 -0.00 0.03 0.02 0.00 -0.01 -0.01 0.00 0.00 -0.03 -0.02 -0.03 -0.05 -0.01 0.01 0.04 0.00 0.01 0.01 0.00 -0.08 -0.10 -0.08 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 -0.02 0.04 -0.10 0.38 -0.18 -0.02 -0.30 0.25 0.24 0.01 0.04 0.25 0.00 -0.01 0.02 0.01 -0.04 -0.07 0.05 -0.04 -0.09 -0.07 -0.07 0.13 0.04 -0.11 0.04 -0.04 -0.04 -0.04 0.03 0.09 0.05 0.02 -0.10 -0.13 0.01 -0.23 -0.31 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.02 -0.01 -0.01 0.06 0.24 -0.07 -0.16 -0.19 0.09 -0.10 -0.14 0.06 0.06 0.16 -0.05 0.11 -0.06 -0.03 -0.00 0.00 0.00 0.03 0.00 -0.00 -0.03 0.00 0.03 -0.00 0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 0.02 -0.01 -0.03 -0.01 -0.00 0.03 -0.00 0.01 0.01 0.00 0.00 -0.00 0.40 0.25 -0.19 0.02 -0.45 0.16 0.04 -0.36 0.06 0.30 0.15 -0.17 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.03 0.00 -0.01 -0.05 -0.02 0.13 -0.01 -0.00 0.00 -0.00 0.04 -0.04 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.24 -0.05 -0.04 -0.00 0.02 -0.00 -0.12 -0.10 0.01 -0.05 0.07 -0.12 0.16 0.09 -0.01 0.01 -0.04 0.01 -0.04 0.04 0.10 0.01 -0.06 -0.04 -0.01 -0.11 -0.19 -0.15 0.08 0.18 0.02 0.00 -0.01 0.00 0.03 0.06 0.01 -0.02 -0.02 -0.00 -0.00 0.00 -0.01 -0.03 0.01 0.02 0.02 -0.01 0.01 0.02 -0.01 -0.01 -0.02 0.01 -0.01 0.01 0.00 -0.01 0.04 0.01 0.23 0.01 -0.02 -0.27 0.09 0.25 -0.02 0.13 -0.36 0.03 0.00 -0.05 -0.06 0.01 0.14 -0.05 0.06 0.04 0.04 0.07 -0.13 0.07 0.12 -0.18 0.21 -0.10 -0.28 -0.06 0.05 0.28 -0.02 0.07 0.07 0.00 -0.03 -0.00 -0.05 -0.03 0.03 -0.00 0.06 -0.02 -0.00 0.05 -0.01 -0.04 -0.02 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 0.03 0.02 -0.07 0.17 0.01 0.00 0.00 0.01 0.01 -0.02 0.06 0.05 0.14 -0.03 0.00 -0.02 0.08 -0.16 -0.05 -0.03 0.06 -0.03 -0.01 0.08 0.08 -0.06 0.09 -0.19 -0.05 -0.01 -0.04 0.02 -0.04 0.02 0.03 -0.03 -0.06 -0.01 0.02 0.07 0.01 0.05 0.09 0.02 -0.04 -0.08 -0.01 -0.00 -0.00 -0.01 -0.10 -0.15 -0.03 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.03 -0.34 0.16 0.05 0.05 0.14 -0.26 -0.03 0.15 -0.29 0.02 0.02 -0.14 -0.10 -0.01 0.19 -0.05 0.08 0.01 0.01 0.07 -0.13 -0.10 0.08 0.06 -0.13 0.05 0.14 -0.10 -0.12 -0.17 0.17 -0.25 -0.28 0.02 -0.12 -0.18 0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.03 0.06 0.02 -0.10 0.16 -0.13 0.00 0.00 0.00 0.04 -0.01 0.01 0.03 0.04 0.09 -0.03 0.01 -0.01 0.08 -0.10 -0.20 0.00 0.02 0.02 0.01 0.02 0.15 0.07 -0.16 0.23 0.04 -0.00 -0.01 0.01 -0.04 -0.04 -0.03 0.03 0.07 -0.00 -0.01 -0.02 0.01 -0.02 -0.04 -0.05 0.02 0.06 0.00 -0.01 -0.01 -0.02 -0.10 -0.15 -0.04 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.15 -0.38 0.06 0.13 0.17 -0.14 -0.18 0.04 -0.24 -0.16 -0.00 -0.08 0.19 0.01 0.05 0.08 -0.07 0.05 0.11 0.12 0.09 -0.19 0.09 -0.02 -0.04 0.21 -0.02 -0.11 -0.03 0.03 0.07 0.12 -0.20 -0.26 0.00 -0.06 -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 0.01 0.02 -0.00 0.00 0.00 -0.02 -0.00 -0.02 -0.06 0.05 -0.03 -0.01 0.00 -0.00 -0.01 0.01 -0.04 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.17 0.04 -0.03 -0.00 0.03 -0.02 -0.06 -0.08 0.01 0.01 -0.05 0.07 0.07 0.00 -0.01 0.00 -0.04 0.00 0.08 -0.06 -0.14 -0.01 0.06 0.09 -0.04 0.03 0.07 -0.01 -0.05 -0.07 0.02 0.01 0.01 0.00 0.04 0.06 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 0.01 -0.01 -0.00 -0.03 0.06 -0.01 0.23 -0.17 0.04 -0.18 0.11 0.11 0.02 -0.04 -0.13 0.01 -0.03 0.10 -0.04 0.01 0.10 -0.05 0.04 0.06 0.04 0.05 -0.10 -0.22 0.00 0.21 -0.53 -0.01 0.25 -0.28 -0.20 -0.28 -0.07 0.12 0.11 0.00 -0.01 0.01 -0.03 0.00 0.01 -0.02 0.02 -0.00 -0.01 0.03 -0.00 -0.03 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.10 0.05 -0.08 0.02 -0.03 -0.02 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.04 0.02 -0.04 0.08 -0.16 0.30 -0.01 -0.02 0.04 -0.09 0.04 -0.02 0.02 -0.01 -0.02 0.04 0.11 -0.12 0.01 -0.00 -0.01 -0.00 0.02 0.03 -0.01 0.01 0.02 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.05 -0.19 0.46 -0.06 0.03 0.02 0.01 -0.06 0.02 -0.00 0.25 -0.22 0.12 -0.17 -0.12 0.22 0.05 -0.41 0.18 -0.08 -0.25 0.05 -0.06 0.11 -0.01 -0.01 0.05 -0.06 0.00 0.04 -0.10 -0.06 -0.09 0.03 -0.03 -0.04 -0.00 0.00 -0.00 -0.02 0.00 0.01 -0.01 0.01 -0.00 -0.01 0.02 -0.00 -0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.03 0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.02 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.06 0.11 -0.00 -0.10 -0.00 0.04 0.07 0.07 -0.04 -0.03 -0.09 0.03 0.30 -0.19 -0.07 -0.00 0.00 -0.02 -0.02 0.02 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.02 -0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.00 0.02 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.47 0.12 0.14 -0.25 0.22 0.02 -0.10 0.40 -0.05 -0.48 -0.10 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 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 -0.01 0.05 -0.06 -0.01 -0.08 0.01 0.03 -0.07 0.02 0.02 0.04 -0.07 0.00 0.04 0.03 -0.02 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 0.02 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.53 -0.06 -0.17 -0.30 0.36 0.01 -0.32 0.44 0.02 0.35 -0.08 -0.10 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.01 -0.03 -0.02 0.03 -0.03 -0.00 -0.00 -0.00 -0.02 -0.00 -0.02 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.08 0.11 -0.15 0.05 0.13 0.02 0.03 -0.05 0.01 -0.07 -0.02 -0.05 0.01 0.00 0.15 -0.02 -0.05 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.32 0.31 0.23 0.06 -0.04 -0.02 -0.04 0.17 -0.07 -0.01 -0.11 0.02 -0.04 -0.05 -0.20 -0.20 -0.09 0.27 0.06 0.28 -0.41 -0.06 0.14 -0.34 -0.00 -0.00 -0.03 0.04 0.01 -0.01 0.10 0.05 0.05 -0.04 0.05 0.06 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 -0.00 -0.00 0.00 0.00 -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 -0.01 0.03 -0.02 -0.00 -0.03 -0.05 -0.10 0.00 -0.00 0.01 0.01 0.01 0.00 -0.04 0.02 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.09 -0.01 -0.11 0.12 0.04 0.18 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.05 0.10 -0.03 -0.06 0.04 0.02 0.00 0.02 -0.01 0.01 -0.02 0.00 0.00 0.01 0.00 -0.01 -0.00 0.02 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 -0.50 0.38 0.12 0.02 0.39 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.00 0.01 0.00 0.00 -0.04 -0.01 -0.06 0.02 0.00 0.02 0.02 -0.01 -0.00 0.02 0.03 -0.03 0.03 0.04 0.00 0.01 -0.01 0.02 -0.04 -0.02 -0.00 -0.09 -0.07 -0.05 -0.02 -0.02 -0.01 -0.08 0.00 0.04 0.04 0.02 0.01 0.04 0.05 0.06 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.04 0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 0.04 0.05 0.13 -0.34 0.14 -0.08 0.24 -0.12 0.02 0.10 -0.08 0.06 -0.10 0.06 0.02 0.05 0.03 -0.05 -0.00 0.11 0.07 0.03 -0.05 0.49 0.04 -0.15 0.43 0.08 -0.07 -0.27 -0.18 -0.21 -0.10 0.13 0.11 0.02 -0.03 -0.01 -0.02 0.00 0.01 0.01 -0.02 -0.00 0.01 -0.02 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.01 0.06 -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 -0.05 0.03 0.01 0.10 0.14 0.04 0.01 0.00 -0.01 -0.13 -0.09 -0.02 -0.01 0.01 0.03 -0.04 -0.08 -0.03 0.03 0.00 -0.01 -0.04 -0.02 -0.01 -0.01 -0.02 -0.02 0.04 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 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 0.18 0.22 0.01 -0.02 0.00 0.02 -0.04 0.01 0.05 0.35 -0.15 0.21 -0.37 0.14 0.06 0.15 0.13 -0.16 0.03 0.33 0.23 0.11 -0.20 -0.24 -0.04 0.06 -0.10 -0.02 0.01 0.27 0.16 0.18 0.02 -0.01 -0.00 -0.00 -0.01 -0.02 0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -0.05 0.03 0.05 -0.04 0.03 0.00 0.01 0.00 0.03 -0.00 0.06 -0.01 -0.00 -0.01 -0.02 0.01 0.00 -0.11 0.17 -0.09 -0.07 0.05 0.03 -0.02 -0.02 0.00 -0.01 -0.04 -0.04 0.11 0.01 -0.00 0.06 -0.01 -0.01 -0.01 -0.00 0.00 0.06 0.03 0.01 -0.03 -0.00 0.00 -0.07 -0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.03 -0.05 -0.01 0.01 0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.20 0.24 0.16 -0.05 0.11 -0.04 0.12 -0.43 0.24 -0.00 -0.04 -0.06 0.03 -0.06 0.09 -0.08 -0.03 0.12 0.00 0.12 -0.13 -0.04 0.06 -0.13 0.26 0.01 -0.04 -0.05 -0.01 0.01 -0.41 -0.23 -0.24 0.08 -0.11 -0.09 -0.02 0.02 0.01 -0.08 -0.00 0.03 -0.05 0.08 -0.01 0.01 -0.04 0.00 0.06 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 -0.03 -0.02 0.03 -0.04 -0.00 -0.02 -0.01 0.03 0.01 0.05 -0.01 -0.01 -0.02 -0.02 0.01 0.00 0.02 -0.09 0.17 0.06 0.02 -0.00 0.01 0.02 -0.06 -0.03 -0.02 0.00 0.03 0.04 -0.01 -0.04 -0.02 -0.01 -0.03 0.00 0.03 0.06 -0.00 -0.02 -0.01 0.00 0.01 -0.04 -0.02 -0.00 0.05 0.03 0.01 0.01 -0.02 -0.02 -0.01 0.00 -0.01 -0.05 0.02 0.02 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.02 -0.01 -0.01 -0.02 0.01 -0.00 0.00 0.00 0.05 0.06 -0.06 -0.07 0.35 -0.18 0.02 -0.07 0.08 0.02 0.12 0.22 0.02 -0.07 -0.09 0.05 0.06 0.00 -0.06 -0.04 0.16 0.09 0.01 -0.01 0.30 0.05 -0.14 -0.15 -0.00 0.06 -0.40 -0.25 -0.27 0.10 -0.12 -0.08 -0.02 0.04 0.03 0.21 0.01 -0.07 0.14 -0.21 0.01 -0.03 0.10 -0.01 -0.17 -0.01 0.06 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.01 0.02 -0.02 -0.03 0.03 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.05 0.08 0.03 0.01 -0.00 0.01 0.01 -0.02 -0.01 -0.00 0.01 0.01 0.01 -0.01 -0.02 -0.01 -0.00 0.01 -0.01 -0.02 0.02 0.01 0.02 -0.01 -0.00 0.00 -0.02 -0.00 0.00 -0.04 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.09 -0.05 -0.02 -0.02 -0.01 0.01 -0.03 0.03 0.00 -0.02 -0.05 0.02 0.04 0.03 -0.02 0.00 -0.00 -0.00 0.04 0.00 -0.03 -0.02 0.12 -0.06 -0.00 0.02 0.00 0.01 0.05 0.09 0.00 -0.02 -0.04 0.02 0.03 -0.01 -0.02 -0.02 0.07 0.04 0.00 0.01 0.08 0.04 -0.02 0.09 0.00 -0.04 -0.06 -0.03 -0.02 0.03 -0.04 -0.02 -0.01 0.01 0.01 -0.47 -0.01 0.17 -0.31 0.49 -0.02 0.12 -0.29 0.02 0.43 0.03 -0.15 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.01 -0.02 -0.08 -0.03 -0.01 -0.01 -0.02 -0.00 0.01 0.01 0.01 -0.00 0.01 -0.01 0.01 -0.05 -0.01 -0.00 -0.00 0.00 0.01 0.02 0.00 0.00 -0.00 -0.03 0.00 0.03 0.00 0.00 0.00 -0.05 0.03 0.08 -0.04 -0.05 -0.07 0.02 0.00 -0.01 0.04 0.01 -0.00 0.19 0.07 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.16 0.10 0.04 -0.06 0.02 0.02 -0.05 0.04 0.01 0.08 -0.02 -0.02 0.05 -0.06 -0.01 0.01 0.00 -0.00 0.00 -0.02 0.01 0.00 -0.09 0.05 0.01 0.02 -0.03 -0.00 -0.02 -0.06 0.00 0.01 0.02 -0.01 -0.01 -0.00 0.01 0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.06 -0.09 -0.48 -0.03 0.19 -0.08 -0.07 -0.11 -0.06 0.06 0.03 0.02 -0.05 -0.04 -0.10 0.03 0.03 -0.12 0.15 0.01 0.29 -0.37 -0.03 0.48 -0.07 -0.15 0.00 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 -0.08 0.07 0.01 0.08 -0.05 0.00 -0.07 -0.01 -0.09 0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.04 -0.05 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.02 0.02 0.06 -0.01 0.03 0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.07 -0.12 0.02 0.01 -0.01 0.01 -0.00 -0.00 -0.04 -0.00 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.02 -0.01 0.01 0.02 0.00 -0.00 0.03 0.01 0.01 0.50 -0.45 -0.23 -0.13 0.42 0.47 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.03 -0.00 0.03 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.03 -0.01 -0.00 0.05 -0.02 -0.01 0.11 0.01 0.10 -0.04 -0.00 -0.04 -0.02 0.03 0.02 0.19 0.16 0.03 -0.01 0.00 -0.01 -0.09 -0.08 -0.02 0.00 -0.01 -0.00 -0.15 -0.07 -0.01 0.00 -0.00 0.01 -0.08 -0.05 -0.05 -0.03 0.00 0.01 0.06 0.04 0.04 0.05 -0.00 -0.03 -0.02 0.01 0.02 0.01 -0.05 -0.07 -0.02 0.00 -0.01 -0.08 0.05 0.02 -0.02 0.01 0.01 -0.02 0.02 0.00 0.03 0.01 -0.01 0.02 -0.03 -0.00 0.01 -0.01 -0.00 -0.07 0.11 -0.02 0.03 0.43 -0.19 -0.11 -0.14 0.26 0.01 0.01 0.05 -0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.12 -0.02 0.06 0.54 0.08 -0.13 0.23 0.12 0.10 0.04 -0.09 -0.09 -0.03 0.02 -0.00 0.01 0.01 -0.01 -0.00 -0.02 0.00 0.10 -0.11 -0.01 0.14 -0.03 -0.04 -0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.01 -0.01 0.02 0.01 -0.02 0.24 -0.04 -0.02 -0.04 -0.00 -0.03 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.10 -0.09 0.05 -0.00 -0.02 -0.00 0.04 0.03 -0.01 -0.02 0.01 0.01 0.17 0.05 -0.04 0.00 0.01 0.00 -0.01 -0.06 -0.10 0.07 0.05 0.06 -0.03 -0.02 -0.01 -0.08 -0.02 0.01 -0.19 -0.03 0.02 0.00 0.02 0.02 0.01 -0.00 0.00 -0.23 0.11 0.05 -0.04 0.03 0.01 -0.06 0.06 0.01 0.06 0.03 -0.03 0.05 -0.07 -0.00 0.02 -0.04 0.00 0.00 -0.03 -0.02 -0.03 -0.09 0.03 0.04 0.05 -0.08 -0.01 0.03 -0.17 0.02 0.00 0.20 0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.33 0.03 0.22 0.44 0.03 -0.21 -0.11 0.00 -0.00 -0.05 0.07 0.05 0.03 -0.05 -0.04 0.05 0.04 -0.04 0.03 -0.11 -0.00 0.23 -0.23 -0.03 0.27 -0.08 -0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.06 -0.00 0.03 0.02 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.06 0.05 0.05 0.03 -0.00 -0.00 0.02 0.04 -0.03 -0.05 0.03 -0.01 -0.01 -0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 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 -0.01 0.00 0.00 -0.00 -0.00 0.10 -0.05 0.14 0.00 -0.09 0.05 0.02 -0.04 -0.00 0.03 -0.06 0.71 -0.07 -0.02 -0.62 0.03 0.06 0.03 -0.03 0.00 0.07 0.08 0.02 -0.02 -0.07 -0.01 0.04 0.02 0.00 -0.01 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.02 -0.02 -0.00 0.03 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.09 0.01 0.01 0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.02 0.01 0.00 0.00 0.00 -0.06 0.01 0.05 -0.00 0.00 -0.00 0.10 0.04 0.02 -0.01 0.01 0.02 -0.02 -0.01 -0.01 -0.02 -0.02 -0.02 -0.11 -0.08 -0.09 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.03 0.04 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.02 -0.01 0.01 0.04 -0.01 -0.04 0.06 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.70 0.07 -0.25 -0.46 -0.04 0.15 0.23 0.17 0.18 0.01 -0.01 -0.01 -0.02 0.02 0.02 -0.07 0.00 0.02 0.04 -0.09 -0.00 -0.00 0.02 -0.00 0.09 -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 0.06 0.02 -0.16 0.10 -0.01 -0.09 -0.05 -0.16 0.03 0.00 0.01 -0.00 -0.00 -0.00 0.03 -0.02 -0.01 -0.00 0.00 0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -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 0.05 -0.00 0.05 0.22 -0.03 0.18 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.04 -0.03 -0.00 0.11 -0.20 0.07 -0.00 0.00 -0.03 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.06 0.01 -0.03 -0.02 0.00 0.01 0.03 0.02 0.02 0.23 -0.18 -0.06 0.42 -0.56 -0.42 -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 0.02 0.01 0.01 -0.00 0.01 -0.02 0.03 -0.02 -0.01 0.02 0.00 0.02 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.00 0.07 0.00 -0.02 -0.01 -0.01 0.00 -0.03 -0.01 -0.01 -0.02 0.10 -0.13 -0.29 -0.00 0.01 0.00 0.05 0.09 0.11 -0.14 0.02 0.11 -0.16 0.01 0.10 0.08 0.09 0.12 0.06 -0.11 -0.20 0.01 -0.01 -0.00 0.01 0.00 0.01 0.11 0.31 -0.09 -0.19 -0.05 0.08 0.05 -0.18 0.02 0.08 -0.21 0.01 -0.21 -0.06 0.09 0.14 0.25 -0.10 -0.13 0.20 -0.01 0.01 0.04 -0.04 -0.03 0.02 0.04 0.01 0.05 0.08 0.01 0.00 0.21 -0.01 -0.02 -0.01 0.01 -0.02 0.00 -0.02 -0.01 0.02 -0.23 0.04 0.13 0.14 0.04 0.00 -0.09 -0.03 -0.00 0.02 -0.02 -0.01 0.01 -0.02 -0.02 -0.13 -0.05 0.06 0.02 -0.14 0.03 -0.07 0.03 0.02 0.16 -0.08 -0.05 -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 0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.02 -0.00 0.01 0.01 0.00 -0.00 0.01 0.01 0.01 0.01 -0.03 0.05 0.11 0.00 -0.00 -0.00 -0.02 -0.04 -0.06 0.06 0.00 -0.03 0.05 -0.00 -0.03 -0.05 -0.04 -0.04 -0.04 0.03 0.06 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.10 -0.01 0.04 0.04 -0.09 0.00 0.00 -0.05 0.01 -0.04 -0.02 0.02 0.09 0.17 -0.07 0.06 -0.09 -0.01 -0.01 -0.00 0.01 0.02 -0.02 -0.01 -0.00 -0.02 -0.05 -0.00 -0.00 -0.08 0.01 0.01 0.01 -0.01 0.01 -0.00 0.01 0.01 -0.01 0.11 0.00 -0.05 -0.02 -0.01 -0.01 0.06 0.03 0.03 -0.01 0.01 0.01 -0.01 0.01 0.01 0.37 -0.02 -0.12 -0.25 0.38 -0.01 0.23 -0.44 0.01 -0.45 -0.02 0.16 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.02 -0.00 -0.02 0.00 -0.02 0.01 -0.00 0.01 0.02 -0.01 0.01 0.00 0.00 -0.01 -0.01 0.02 0.01 0.01 0.01 0.01 0.01 0.01 0.01 -0.02 0.06 0.11 0.00 -0.01 -0.00 -0.05 -0.05 -0.06 0.07 -0.00 -0.04 0.07 0.00 -0.03 -0.05 -0.04 -0.04 -0.02 0.05 0.08 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.08 0.14 -0.05 -0.01 -0.01 0.01 0.01 -0.03 0.00 0.04 -0.09 0.00 -0.09 -0.00 0.03 -0.00 0.00 0.00 0.09 -0.13 -0.02 -0.02 -0.00 0.01 0.06 -0.10 0.02 -0.01 -0.03 -0.08 -0.00 -0.00 -0.11 0.01 0.01 0.01 -0.01 0.02 -0.00 0.01 0.01 -0.02 -0.01 -0.01 -0.01 0.02 0.00 -0.02 0.03 0.01 0.01 -0.02 0.02 0.01 -0.00 0.01 0.01 -0.39 -0.01 0.14 0.21 -0.36 0.01 -0.28 0.44 0.01 0.44 -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.17 -0.04 0.09 -0.05 -0.01 -0.06 -0.12 0.06 -0.04 -0.08 -0.01 -0.03 -0.01 0.03 0.01 -0.05 0.00 -0.01 0.01 0.00 0.01 0.03 0.02 0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.02 0.10 -0.06 0.01 -0.02 0.03 0.03 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.13 -0.22 0.02 0.20 -0.29 0.10 -0.35 0.69 -0.20 -0.01 -0.06 -0.05 0.01 -0.01 -0.07 0.01 0.02 0.02 -0.02 0.03 -0.00 0.00 0.01 -0.03 -0.06 -0.01 0.02 -0.02 -0.01 -0.00 -0.05 -0.03 -0.03 0.14 -0.08 0.01 -0.02 -0.01 -0.03 -0.02 -0.00 0.01 0.01 -0.01 0.00 -0.02 0.03 0.00 0.02 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.02 -0.01 0.03 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.03 -0.04 0.05 -0.08 -0.06 0.01 -0.03 0.03 -0.03 -0.04 -0.08 0.00 0.02 0.03 0.01 0.05 0.01 -0.02 -0.01 -0.01 0.02 -0.00 -0.01 0.03 0.00 -0.01 -0.02 -0.01 -0.01 -0.00 0.02 0.02 0.01 0.00 0.01 0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.33 0.44 0.34 -0.02 0.07 -0.01 -0.08 0.22 -0.12 0.04 0.15 0.45 -0.01 0.03 0.43 -0.08 -0.08 -0.02 0.07 -0.08 0.01 -0.08 -0.07 0.14 -0.02 -0.00 0.00 -0.04 -0.00 0.01 0.03 0.02 0.02 0.02 -0.00 0.00 0.01 -0.01 -0.01 -0.02 -0.00 0.01 0.01 -0.01 -0.00 -0.02 0.03 0.00 0.02 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 0.01 0.03 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.00 -0.03 0.03 -0.06 0.03 0.00 -0.01 0.01 -0.02 0.03 0.06 0.01 0.00 0.01 -0.05 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.28 0.64 -0.47 -0.00 0.03 -0.00 -0.03 0.10 -0.06 -0.03 -0.01 -0.17 0.01 -0.08 -0.42 0.08 0.03 -0.11 0.01 -0.09 0.00 0.13 0.05 -0.04 -0.03 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -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 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.05 -0.02 -0.01 0.01 0.01 0.04 -0.02 0.01 -0.06 0.06 -0.01 -0.02 0.03 0.01 0.07 -0.17 0.07 0.01 0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 0.00 0.02 0.01 0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.00 0.01 0.01 0.01 -0.00 0.00 0.01 -0.03 0.02 -0.01 0.03 -0.03 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.10 -0.17 -0.00 -0.17 0.63 -0.23 -0.19 0.53 -0.27 -0.01 -0.06 -0.05 0.01 -0.01 -0.05 0.03 0.02 0.01 -0.02 0.05 -0.03 0.00 0.02 -0.05 -0.02 -0.02 0.00 0.04 -0.00 -0.03 -0.07 -0.05 -0.06 -0.01 -0.00 -0.02 0.03 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.06 -0.04 -0.13 0.12 -0.13 -0.07 -0.12 0.05 -0.04 0.02 0.03 0.01 -0.00 0.01 -0.01 0.02 -0.01 0.05 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.21 -0.07 0.11 -0.14 0.18 0.13 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.06 0.05 -0.30 0.41 -0.11 0.10 -0.18 0.06 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.02 -0.00 -0.02 -0.00 -0.00 0.02 -0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.17 0.35 0.36 -0.03 -0.23 -0.35 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.02 0.03 -0.01 -0.11 0.00 -0.00 -0.01 -0.02 0.02 0.09 -0.00 0.00 0.00 0.05 0.04 -0.03 0.02 0.00 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.12 0.03 0.54 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.02 0.03 -0.30 -0.01 -0.08 -0.49 -0.29 -0.13 0.19 0.06 -0.09 0.25 -0.16 -0.17 0.22 0.01 0.00 -0.02 0.04 -0.00 -0.02 -0.04 -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 0.01 -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 0.01 -0.01 -0.03 0.00 0.09 0.00 -0.01 0.00 0.02 -0.00 -0.03 0.01 -0.00 -0.00 0.04 0.02 -0.14 -0.01 -0.00 0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 -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 0.05 0.01 -0.40 -0.01 0.02 -0.01 -0.01 0.01 -0.01 0.01 -0.02 0.06 -0.01 0.05 0.14 -0.34 0.09 0.42 -0.04 -0.06 0.49 -0.05 -0.33 0.34 -0.01 0.01 0.01 -0.02 0.00 0.02 0.03 0.03 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.03 -0.01 -0.03 0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.03 -0.01 -0.04 -0.00 -0.01 0.03 -0.02 0.03 0.01 0.00 -0.01 -0.02 -0.07 0.03 0.09 -0.00 0.00 -0.02 0.19 0.05 -0.02 -0.09 -0.07 -0.06 -0.17 -0.08 -0.04 0.17 0.05 0.00 -0.07 0.06 0.14 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.02 -0.03 0.02 -0.06 0.04 0.01 0.06 -0.02 -0.02 0.06 -0.03 -0.02 -0.06 0.03 0.01 -0.01 -0.03 0.01 -0.01 0.06 -0.14 0.07 -0.06 0.04 0.05 -0.10 -0.03 0.01 0.02 0.08 -0.01 0.04 0.12 -0.01 0.03 0.03 -0.01 -0.01 0.04 0.02 -0.03 0.03 0.13 -0.05 -0.17 0.38 -0.04 -0.27 -0.33 -0.31 -0.38 0.02 -0.01 -0.00 -0.01 0.02 0.02 0.15 0.05 -0.06 -0.03 0.14 -0.02 -0.04 0.15 -0.02 0.18 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 0.01 0.03 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.03 -0.02 -0.05 0.00 -0.00 0.00 -0.06 -0.01 0.01 0.02 0.03 0.03 0.06 0.03 0.01 -0.06 -0.02 -0.01 0.02 -0.03 -0.05 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.06 -0.12 0.04 -0.15 0.11 0.03 0.16 -0.07 -0.04 0.15 -0.04 -0.04 -0.12 0.11 0.02 -0.06 -0.12 0.04 0.01 -0.02 0.03 -0.03 -0.01 -0.01 -0.02 0.03 0.04 -0.00 -0.01 -0.02 0.00 -0.01 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 0.05 -0.14 0.01 0.10 0.14 0.12 0.15 -0.02 0.01 0.00 0.00 -0.01 -0.01 0.41 0.12 -0.17 -0.13 0.44 -0.06 -0.06 0.36 -0.05 0.35 0.13 -0.15 -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 -0.12 0.21 0.16 0.05 -0.08 -0.06 0.07 -0.02 0.04 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.08 -0.05 -0.08 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.02 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.01 0.02 0.01 -0.11 -0.14 -0.03 0.06 0.05 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.02 -0.02 -0.20 -0.55 0.10 -0.22 0.26 0.43 0.01 0.02 0.03 -0.01 0.02 0.03 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.04 -0.03 -0.04 -0.27 0.17 -0.01 0.03 -0.17 -0.22 -0.02 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.02 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.05 0.05 0.03 -0.03 -0.02 0.02 -0.01 0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -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 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.04 -0.02 0.03 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.73 0.12 -0.01 0.20 -0.19 -0.59 -0.00 -0.01 0.00 0.01 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.03 -0.00 0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.00 -0.06 0.03 -0.02 0.01 -0.06 -0.09 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.03 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.07 0.04 0.10 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.03 0.01 -0.01 -0.02 0.33 0.54 0.27 -0.18 0.40 -0.31 0.09 -0.27 0.37 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 -0.02 0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.04 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.06 0.06 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.09 -0.19 0.03 0.16 -0.13 0.06 -0.20 0.06 0.27 0.28 -0.44 -0.31 0.62 0.06 0.13 0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.13 0.08 0.06 0.00 -0.00 0.00 -0.03 -0.07 -0.10 -0.13 -0.01 0.06 -0.12 0.02 0.08 -0.03 -0.05 -0.07 0.15 0.03 -0.02 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.06 -0.03 -0.01 -0.06 -0.03 0.02 -0.02 0.06 -0.01 -0.02 0.07 -0.01 -0.05 -0.02 0.02 0.04 -0.03 -0.01 0.00 -0.01 0.01 0.03 -0.01 0.01 -0.01 0.03 -0.05 0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 -0.00 -0.01 0.02 -0.01 -0.01 -0.00 0.00 0.49 0.05 -0.17 0.42 0.05 -0.10 0.32 0.19 0.17 -0.00 -0.01 -0.01 0.00 -0.01 -0.02 0.20 -0.03 -0.06 0.15 -0.20 -0.00 0.14 -0.19 -0.01 0.22 -0.03 -0.07 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.03 -0.08 0.01 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -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 0.01 -0.03 -0.01 0.01 0.01 -0.00 0.00 0.01 -0.02 0.28 0.57 -0.14 -0.52 0.43 -0.08 -0.04 0.04 0.08 0.08 -0.13 -0.13 0.21 0.03 0.03 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 0.02 0.00 -0.02 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.07 0.04 0.02 0.00 -0.00 -0.00 -0.02 -0.04 -0.05 -0.08 -0.01 0.03 -0.05 0.01 0.04 0.00 -0.02 -0.03 0.07 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.11 0.06 0.02 0.08 0.05 -0.04 0.01 -0.11 0.02 0.05 -0.13 0.01 0.14 0.03 -0.06 -0.11 0.05 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 0.00 0.00 -0.02 -0.03 -0.06 0.02 0.05 -0.04 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.02 -0.00 -0.00 0.25 0.02 -0.09 0.18 0.02 -0.04 0.14 0.08 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.34 0.06 0.10 -0.27 0.34 0.02 -0.26 0.37 0.02 -0.43 0.05 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 -0.12 0.08 -0.00 -0.05 0.09 0.09 -0.15 0.13 0.04 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 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.25 -0.20 -0.04 0.11 -0.20 -0.17 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.11 0.03 0.00 0.10 -0.13 -0.09 -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 0.02 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.31 0.40 0.30 -0.04 0.36 0.46 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 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 -0.01 0.01 0.03 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.07 -0.15 -0.28 0.00 -0.00 0.00 0.09 0.13 0.18 -0.10 0.07 0.17 0.06 -0.09 -0.17 -0.10 -0.18 -0.26 -0.04 0.21 0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.09 0.03 0.05 0.04 -0.02 -0.01 0.08 -0.01 0.00 -0.08 0.02 -0.04 -0.05 0.03 0.04 0.10 -0.03 0.01 -0.02 0.01 0.01 0.04 -0.02 0.00 -0.01 -0.00 0.00 0.01 -0.02 -0.01 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.32 0.11 0.03 -0.11 -0.10 -0.13 0.41 0.17 0.10 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.07 0.04 0.02 0.11 -0.10 -0.01 -0.08 0.06 0.02 0.07 -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 -0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.04 0.04 0.05 -0.01 0.02 0.04 -0.01 -0.03 -0.05 -0.04 -0.06 -0.07 -0.01 0.07 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 0.11 0.35 -0.10 -0.07 -0.17 0.06 0.06 -0.30 0.04 -0.07 0.30 -0.04 0.08 0.15 -0.06 -0.10 -0.30 0.10 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.05 0.03 0.02 0.00 -0.03 -0.06 0.09 0.04 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.10 -0.19 0.01 -0.30 0.26 0.05 0.29 -0.28 -0.04 -0.14 0.17 0.01 0.00 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 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.11 0.04 -0.01 0.00 0.00 -0.00 -0.13 -0.06 -0.04 -0.20 -0.04 0.04 0.17 0.03 -0.04 0.16 0.07 0.04 -0.09 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.17 0.00 0.06 0.28 -0.03 -0.09 0.18 -0.13 -0.04 -0.17 0.12 0.04 -0.26 0.04 0.08 0.13 -0.00 -0.05 0.00 -0.00 0.00 0.01 0.02 -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 0.23 -0.00 -0.13 -0.18 0.00 0.09 -0.09 -0.11 -0.16 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.34 -0.03 0.12 -0.07 0.29 -0.04 0.03 -0.23 0.04 0.30 0.04 -0.12 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.15 -0.03 0.03 -0.00 0.00 -0.00 0.17 0.07 0.03 0.27 0.05 -0.06 -0.27 -0.03 0.09 -0.22 -0.09 -0.05 0.20 0.01 -0.06 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.17 -0.00 0.06 0.21 -0.01 -0.07 0.13 -0.08 -0.03 -0.10 0.05 0.03 -0.17 0.02 0.05 0.08 0.02 -0.03 -0.00 0.01 -0.00 -0.01 -0.02 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 -0.00 -0.00 0.00 -0.30 -0.00 0.17 0.32 0.01 -0.13 0.14 0.18 0.23 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.27 -0.00 0.09 -0.05 0.21 -0.03 -0.02 -0.11 0.03 0.19 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 0.02 0.01 0.00 0.00 0.00 -0.00 -0.04 -0.06 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.24 -0.14 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.19 0.06 -0.00 0.63 0.67 -0.12 0.04 -0.04 0.03 -0.03 -0.01 -0.01 -0.00 0.03 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.07 -0.04 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.80 0.46 0.15 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.14 0.05 -0.01 0.18 0.19 -0.03 -0.05 0.05 -0.04 -0.07 -0.04 -0.02 0.02 -0.06 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.05 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 0.04 -0.01 -0.41 0.41 -0.33 0.48 0.26 0.10 0.08 -0.40 -0.27 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.02 0.02 -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 -0.16 -0.42 0.77 0.39 0.20 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.08 -0.05 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.06 -0.02 0.00 0.00 0.01 -0.00 -0.44 0.45 -0.37 -0.42 -0.25 -0.08 -0.06 0.36 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 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.03 -0.07 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.08 0.05 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.19 0.08 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.55 0.29 0.10 -0.14 0.59 0.42 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 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.09 0.02 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.09 0.05 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.88 -0.35 0.00 0.13 0.16 -0.02 0.03 -0.03 0.02 0.13 0.07 0.02 -0.02 0.10 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 -0.03 -0.04 -0.08 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.30 0.84 0.38 0.19 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.01 -0.05 -0.03 0.02 -0.02 -0.01 0.01 -0.00 0.04 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.03 -0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.33 0.06 0.58 0.36 -0.28 0.21 0.13 -0.10 0.03 -0.50 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 -0.06 0.01 -0.02 -0.01 0.01 0.04 0.02 -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 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.02 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.69 -0.13 0.28 0.17 -0.13 -0.44 -0.27 0.21 0.01 -0.24 0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.02 0.00 0.00 0.00 0.05 -0.02 -0.06 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.09 -0.20 -0.29 -0.01 -0.02 -0.03 -0.63 0.20 0.65 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 -0.04 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 -0.04 -0.02 0.02 -0.02 -0.01 0.01 0.00 -0.07 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.23 -0.04 0.42 0.25 -0.20 0.23 0.14 -0.11 -0.04 0.74 -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 0.00 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 0.01 -0.01 -0.05 -0.03 0.02 -0.00 0.03 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.56 -0.10 -0.17 -0.10 0.08 0.58 0.34 -0.27 0.02 -0.30 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.05 -0.07 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 0.07 0.10 0.26 0.53 0.79 -0.06 0.02 0.06 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.04 -0.06 0.00 0.01 0.01 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.24 0.51 0.73 -0.04 -0.08 -0.12 -0.24 0.08 0.25 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.08 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.07 0.01 0.09 0.84 -0.26 0.46 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.07 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 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.59 0.12 0.78 -0.09 0.03 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 17 17 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 17 17 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 34.96885 15.99491 15.99491 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 405.06470 0.99989 0.00504 0.01376 -0.00423 0.99829 -0.05832 -0.01403 0.05826 0.9982 asymmetric 1 0.01364 0.00406 0.00381 0.28424 0.08469 0.07944 877282.8 9.76 26.52 38.93 48.02 56.83 65.00 80.60 106.66 141.10 173.52 204.05 244.42 254.73 274.83 286.77 334.17 337.29 364.68 431.04 443.03 470.95 480.44 507.48 546.17 578.77 581.68 605.74 613.94 658.69 679.65 698.64 742.79 760.91 842.64 867.44 915.02 923.31 948.01 969.46 984.85 997.47 1016.31 1049.68 1075.94 1086.75 1121.07 1178.67 1187.48 1209.11 1217.04 1230.05 1239.72 1285.48 1286.12 1291.13 1339.39 1344.25 1375.67 1381.84 1399.95 1402.41 1420.60 1457.59 1479.06 1481.82 1510.84 1515.57 1561.38 1574.07 1582.44 1631.25 1637.01 1666.98 1671.10 1680.96 1708.22 1716.91 1717.45 1750.63 1761.71 1794.13 1808.58 1809.74 1860.69 1878.65 1881.44 1897.98 1907.62 1926.87 1931.86 1960.72 1983.03 2000.01 2016.76 2038.85 2050.45 2068.54 2089.62 2132.31 2138.57 2158.90 2170.08 2178.21 2184.53 2215.24 2302.48 2331.85 2340.88 2366.92 4322.45 4351.28 4358.99 4445.29 4455.91 4475.90 4490.22 4553.71 4587.84 4591.02 4598.62 4609.11 4611.77 4621.70 4627.38 4666.68 4692.75 0.334139 0.357519 0.358463 0.276221 -2044.609319 -2044.585939 -2044.584995 -2044.667237 224.346 89.147 173.093 0.000 0.000 0.000 0.889 2.981 43.888 0.889 2.981 36.373 222.569 83.186 92.832 1 0.593 1.987 8.783 2 0.593 1.986 6.797 3 0.593 1.984 6.034 4 0.594 1.983 5.618 5 0.594 1.981 5.284 6 0.595 1.979 5.018 7 0.596 1.975 4.593 8 0.599 1.966 4.040 9 0.604 1.951 3.492 10 0.609 1.932 3.091 11 0.615 1.911 2.779 12 0.625 1.880 2.437 13 0.628 1.871 2.359 14 0.634 1.852 2.218 15 0.637 1.841 2.139 16 0.653 1.792 1.861 17 0.654 1.788 1.845 18 0.665 1.757 1.706 19 0.692 1.674 1.419 20 0.698 1.659 1.373 21 0.711 1.621 1.273 22 0.715 1.608 1.241 23 0.729 1.570 1.154 24 0.750 1.514 1.041 25 0.768 1.465 0.954 26 0.769 1.461 0.947 27 0.784 1.425 0.889 28 0.788 1.412 0.869 29 0.816 1.344 0.773 30 0.829 1.311 0.731 31 0.842 1.282 0.695 32 0.871 1.214 0.619 33 0.884 1.186 0.590 34 0.943 1.062 0.475 35 0.961 1.026 0.445 0.437111e+27 26.640592 61.342230 0.687315e+11 10.837156 24.953473 0.100000e+01 0.000000 0.000000 0.320435e+09 8.505740 19.585191 0.198470e+08 7.297696 16.803566 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -2044.943458 3.526E-9 3.775E-6 0.3341394 0.3575187 -2044.5859393 -2044.5849951 -2044.6672371 5.5265283,1.529589,-7.0561172,-3.4008646,9.0647936,-4.3716325 C01 [X(C19H17Cl2N3O3)] 1.3304087 -1.572282 0.2743214 -0.3599388 -0.1279514 0.3110099 -0.1799446 -0.1133738 0.1353344 0.368252 0.1221869 -0.4651072 -0.7294272 0.1544534 0.2903534 0.2010234 -0.1326649 -0.0987003 0.380848 -0.0990206 -0.2409246 -0.8041955 0.374372 -0.2728927 0.4386888 -0.9372795 0.2765069 -0.2726029 0.2346918 -0.71554 -0.8813427 0.2621602 -0.0321835 0.4250845 -0.902616 0.0120426 -0.000175 0.1046225 -0.5301407 -2.7455639 -0.002311 0.2409348 -0.2281777 -0.2482142 -0.1109655 0.447849 -0.1377845 -0.4543409 -0.4050161 0.2157804 0.254592 0.110834 -0.2455454 -0.1146195 0.1714429 -0.1556154 -0.1758204 -0.0827697 -0.1175886 -0.0876551 -0.0793392 -0.1815583 0.0688482 0.0573662 -0.1237862 -0.518922 -0.5062812 0.2404708 0.0725793 0.1200804 -0.4372491 -0.0766982 -0.0169249 -0.0430082 -0.4547143 1.2757953 -0.2537922 0.3245998 -0.308392 0.8463091 0.0304279 0.3686707 -0.128658 0.8146835 0.6305234 -0.2855981 0.1794691 -0.3271567 0.703977 -0.3216981 0.0796199 -0.0946729 0.2592853 0.275107 -0.2437354 -0.193818 -0.0380757 0.2417271 0.1157565 -0.1849801 0.1922081 0.1719645 0.3427486 -0.016579 0.0387748 -0.2377654 0.5964827 -0.0233944 0.1624427 -0.1937501 0.2415115 -0.4823613 0.0115525 0.0738569 -0.0178325 -0.1677378 0.0901003 0.0252577 0.0877659 -0.3320778 0.0502194 -0.0777021 0.0447755 -0.0194078 -0.0469086 0.0826207 0.0065048 0.0781255 0.0380883 0.6317894 0.2161642 -0.4560818 0.2407751 0.075846 -0.2785917 -0.3831699 -0.2111536 0.7307483 0.2190976 0.0862661 -0.061807 0.1008755 -0.079705 -0.006559 -0.0376214 -0.017224 -0.003612 -0.5964069 -0.0605011 0.1157643 -0.0971451 -0.1179679 0.0309605 0.2088862 0.0557061 -0.080709 -0.3693298 0.0021308 -0.0131695 -0.0465301 -0.1092344 0.014172 -0.349777 -0.0315387 -0.1104196 2.016273 0.135341 0.0589395 0.54525 0.0978085 -0.0618059 0.4099266 -0.0229921 0.2577349 0.3092383 -0.2131148 -0.215221 -0.1266526 0.1576271 0.0829628 -0.1843465 0.2530134 0.3940882 0.2215798 -0.1288 0.097549 -0.1432286 0.0781122 -0.0772876 0.1122784 -0.1134423 0.3707622 1.5962501 -0.1360304 -0.3855107 -0.3192814 0.1560993 0.1181131 -1.0307647 0.0939593 0.2750412 -0.2886274 0.0624325 0.0412697 -0.0154463 0.0054597 0.086935 -0.0013094 0.0602311 -0.0609093 -0.1969884 -0.0093339 -0.0008988 0.2356994 -0.0732683 -0.0315102 0.2005865 0.023865 -0.1139577 -0.1178981 0.0708173 0.0320667 0.1325855 -0.0044909 0.0069758 0.0603465 0.0287598 -0.118623 -0.1074593 0.0851881 0.0424401 0.0326508 0.0225216 0.0500757 0.007135 0.0390634 -0.0861484 0.8871122 -0.2760288 -0.4758576 -0.3413364 0.0331133 0.150263 -0.548302 0.1474464 0.2507097 -0.177908 0.0081281 -0.0898566 -0.0374772 -0.0329431 -0.0020188 -0.0781098 0.0142888 -0.0262639 0.0842059 0.0528312 -0.0106117 0.0647926 0.048483 0.0330807 0.0481219 0.0190219 0.0282405 -0.0811887 0.0222188 -0.0062941 -0.0528747 0.0235479 -0.0633796 -0.0852857 -0.0618091 0.0265428 -0.0941959 0.0889427 0.0412781 0.0500449 0.0238159 -0.000884 0.0214441 -0.0128875 0.0585443 -0.0216992 -0.121129 -0.0517764 -0.0334446 -0.0845145 -0.0245098 -0.0470045 -0.0131853 0.0020353 -0.0271427 0.1143631 -0.0085567 0.096084 -0.0728554 0.0328092 0.0177284 -0.0059946 0.0689445 -0.0633549 -0.0576414 -0.040616 -0.0462499 0.0618766 -0.0138512 -0.0772958 -0.0174606 0.0023518 0.0747857 -0.0242789 0.0468354 -0.0006521 0.0445954 -0.0655345 0.0215419 -0.0047345 -0.0975202 0.1080523 -0.018629 0.017776 -0.0060188 0.1202872 0.0076973 -0.0177495 0.0173175 -0.0069762 0.0896888 -0.0129381 -0.0270923 -0.0092443 0.1299171 0.0208923 -0.037866 0.0144912 0.0273541 0.0363425 -0.0433812 0.0332669 -0.0662836 0.113551 0.0128541 0.0927817 0.0197894 0.0319895 0.0630915 0.0427592 -0.0063773 0.0519032 0.1404748 0.0424126 -0.0181013 0.0424786 0.094463 0.0221729 0.0802887 -0.0171233 0.0722534 0.1143914 0.0245834 -0.0185526 0.0158978 0.0649439 0.0936003 0.0139155 0.0343767 0.0070565 0.0097423 -0.0699095 0.0338201 -0.0720817 0.085859 0.0339606 -0.0482336 0.0309546 -0.1019042 0.0631557 -0.0080336 0.0367959 -0.0221222 0.0881426 -0.0024598 -0.062495 0.0131873 -0.0606634 0.0631636 -0.0157479 0.0286524 -0.0171157 0.1189742 0.0799207 -0.0027836 0.0167503 0.0148429 0.0160414 -0.0607256 0.0216395 -0.0648926 0.0897238 359.1391442|-8.4823562|222.7742034|-23.6578517|9.4031487|241.0939074 0.000004718 0.000003878 -0.000003529 -0.000008636 0.000002884 0.000005316 0.000002447 -0.000001387 0.000007831 0.000003477 0.000001538 -0.000006078 0.000000286 0.000000501 0.000002320 -0.000010672 -0.000004857 0.000007469 0.000002298 0.000001494 -0.000005205 -0.000004249 0.000002289 0.000003130 -0.000005024 -0.000004431 -0.000002847 -0.000005198 0.000001630 -0.000008103 0.000000252 0.000001157 -0.000001905 0.000000973 0.000002782 0.000008083 0.000014875 0.000006261 0.000004994 0.000002143 0.000002423 0.000001515 -0.000002832 -0.000001443 -0.000001512 -0.000002050 -0.000001730 0.000001719 0.000002708 0.000002336 -0.000007194 -0.000004209 0.000000488 -0.000001921 -0.000006692 -0.000002904 -0.000000271 0.000006087 0.000000624 -0.000002004 0.000004027 -0.000001524 0.000003558 0.000003716 0.000003248 -0.000002004 -0.000003982 -0.000002917 -0.000000074 0.000009525 -0.000005070 -0.000005377 -0.000006135 -0.000005106 -0.000000951 -0.000009095 0.000004874 0.000005870 0.000008245 0.000002550 -0.000001926 0.000001727 -0.000001045 0.000001481 0.000002036 0.000001979 -0.000000709 0.000001549 -0.000000011 -0.000001696 -0.000000373 -0.000003165 -0.000003077 0.000000414 -0.000001421 -0.000002402 0.000000160 -0.000002564 -0.000000536 -0.000001697 -0.000001436 -0.000000727 -0.000000371 -0.000002334 0.000000854 -0.000001231 -0.000000219 0.000001678 -0.000000618 0.000000488 0.000001133 0.000000656 -0.000000628 0.000001341 -0.000000931 -0.000001090 0.000002501 -0.000000467 -0.000000305 0.000000395 0.000001347 0.000000256 -0.000001500 0.000000099 0.000001226 0.000000366 -0.000000004 0.000000564 -0.000000520 0.000000703 0.000000117 0.000000514 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 5-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=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 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/gas/CONF7/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction difenoconazole_RR CONF7 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 3 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.1005750438 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538718477 0.000000 10.407964 0.000000 4.588753 10.425287 0.000000 3.046043 11.445924 2.263365 0.000000 5.028946 5.907303 6.344678 6.461397 0.000000 4.270962 9.526675 2.941933 3.670410 6.123891 0.000000 4.199955 8.745578 4.090384 4.538363 5.586401 1.359647 0.000000 6.155662 8.392988 4.234037 5.638968 6.480367 2.193982 2.264516 0.000000 3.193436 10.271565 1.428886 1.411457 5.717665 2.469216 3.379843 4.288695 0.000000 5.115536 11.432485 1.446842 2.319895 7.066212 4.327998 5.471034 5.659056 2.340200 0.000000 3.459729 10.532138 2.403787 2.378358 6.398448 1.450950 2.447107 3.606415 1.537719 3.520198 0.000000 4.106117 11.747507 2.328952 1.426231 6.769682 4.673572 5.631416 6.378646 2.255607 1.534426 3.552624 0.000000 2.773124 8.989676 2.429301 2.462823 4.185682 2.910148 3.280229 4.351095 1.534471 3.289608 2.544006 3.048674 0.000000 6.109760 11.122600 2.438379 3.638781 7.055409 5.329117 6.382979 6.251885 3.492157 1.517520 4.785604 2.575323 3.954874 0.000000 1.760074 8.940440 3.751732 3.059160 3.635774 3.668931 3.604564 5.177863 2.586567 4.460507 3.253686 3.816697 1.401275 5.148647 0.000000 4.041790 7.952918 2.733546 3.617402 3.676863 3.363881 3.656238 4.087391 2.530742 3.632115 3.486417 3.826171 1.398624 3.803566 2.389035 0.000000 2.681959 7.915944 4.858252 4.405627 2.356482 4.605583 4.230501 5.701141 3.862999 5.569804 4.492676 4.989267 2.437207 5.996465 1.390843 2.768452 0.000000 4.539601 6.771391 4.116395 4.816563 2.431180 4.364831 4.276515 4.721740 3.828083 4.926063 4.667016 4.999218 2.441740 4.879679 2.781988 1.388135 2.415710 0.000000 3.988812 6.751886 4.997071 5.126400 1.377755 4.888803 4.520809 5.488097 4.340741 5.758413 5.068465 5.483949 2.809718 5.880338 2.402242 2.394371 1.389835 1.392547 0.000000 5.511387 9.311900 3.083486 4.508432 6.614756 1.352278 2.214237 1.320821 3.220389 4.491592 2.531727 5.233700 3.658112 5.252044 4.659253 3.647045 5.464068 4.621893 5.437389 0.000000 5.415272 8.029486 4.661449 5.580736 5.826703 2.091312 1.322050 1.362754 4.286699 6.103546 3.483477 6.517111 4.091282 6.814990 4.565952 4.034685 4.963024 4.474631 4.909118 2.096248 0.000000 6.177776 4.527159 7.013530 7.464515 1.382589 6.551388 5.906717 6.444040 6.541513 7.857286 7.091770 7.775633 5.057673 7.746401 4.717204 4.289910 3.535884 2.943682 2.387351 6.829301 5.841459 0.000000 7.382375 4.022958 8.145566 8.633445 2.363676 7.892642 7.282812 7.679232 7.764956 8.878745 8.416619 8.806170 6.271180 8.589015 5.939673 5.418231 4.709173 4.031337 3.560001 8.095443 7.153104 1.392065 0.000000 6.389374 4.024500 6.918144 7.584048 2.434067 5.980749 5.199435 5.526789 6.486170 7.961173 6.772897 8.043960 5.130952 7.962747 4.943511 4.335269 3.967722 3.175242 2.920023 6.133347 4.894125 1.394711 2.421222 0.000000 8.581702 2.728932 9.070485 9.762030 3.645646 8.638138 7.964297 8.092328 8.785813 9.882917 9.332531 9.950401 7.342341 9.539354 7.113098 6.383579 5.930293 5.027682 4.744773 8.688263 7.622722 2.408926 1.391859 2.795411 0.000000 7.743383 2.728796 7.980616 8.843770 3.690247 6.930700 6.114613 6.082005 7.674550 9.061620 7.878454 9.278011 6.391915 8.972764 6.303000 5.488533 5.359257 4.365537 4.282629 6.891268 5.554032 2.407930 2.790987 1.391958 2.422166 0.000000 8.728600 1.759463 8.985493 9.844235 4.148079 8.205029 7.447388 7.373360 8.734598 9.953986 9.083951 10.150780 7.382462 9.702817 7.256294 6.401457 6.188651 5.152742 5.022263 8.142774 6.915625 2.767708 2.403409 2.406154 1.391749 1.391939 0.000000 5.804080 12.336849 2.055983 2.810548 8.110847 4.677532 5.939005 5.999082 2.989643 1.095338 3.818227 2.171453 4.198175 2.160602 5.351183 4.605186 6.539340 5.938682 6.783595 4.749268 6.556479 8.875206 9.922898 8.898365 10.894366 9.964172 10.901831 0.000000 2.785364 10.744565 3.343916 2.616912 6.377291 2.060914 2.513782 4.227034 2.165981 4.311241 1.087027 3.989582 2.842035 5.612912 3.061773 3.994725 4.287325 5.004905 5.111597 3.353357 3.767563 7.158048 8.508644 6.875371 9.473187 8.035878 9.254084 4.636527 0.000000 4.284602 11.465372 2.561932 2.612375 7.449896 2.092500 3.253897 4.026030 2.140481 3.468907 1.090109 3.661378 3.465183 4.849847 4.255535 4.340946 5.540777 5.607765 6.104461 2.811554 4.146403 8.130810 9.441495 7.787704 10.337232 8.848341 10.060959 3.440818 1.780856 0.000000 4.671933 12.820473 3.237374 2.046619 7.731145 5.516429 6.509835 7.303699 3.181327 2.212861 4.271159 1.089095 4.075018 3.174717 4.695951 4.911844 5.882519 6.060192 6.474062 6.101151 7.451456 8.790286 9.798024 9.098698 10.972842 10.348807 11.211128 2.407844 4.607122 4.182690 0.000000 3.992817 11.247643 2.870011 2.081903 6.085576 5.138879 5.925893 6.732898 2.691352 2.185503 4.152217 1.097568 2.904914 2.659227 3.498962 3.535793 4.465384 4.498436 4.891290 5.714779 6.781316 7.153328 8.087562 7.589079 9.283545 8.848207 9.612319 3.052549 4.502496 4.484784 1.788207 0.000000 6.722638 12.021902 3.384612 4.168291 7.823919 6.319277 7.393392 7.325337 4.328383 2.155663 5.640350 2.873860 4.832373 1.094196 5.909923 4.774956 6.754841 5.779037 6.696698 6.288916 7.881590 8.580314 9.347660 8.901573 10.335595 9.927266 10.590860 2.504224 6.404900 5.615503 3.128851 2.904955 0.000000 5.778743 10.277159 2.707727 3.780954 6.121188 5.358624 6.233466 6.206925 3.502571 2.158129 4.921141 2.804128 3.518127 1.092450 4.618332 3.157842 5.270491 4.041105 5.026114 5.351284 6.642852 6.817983 7.593305 7.146631 8.571482 8.171631 8.821674 3.068521 5.666495 5.216608 3.576565 2.477456 1.777003 0.000000 6.870156 11.012333 2.701185 4.394493 7.483106 5.405812 6.501492 5.983574 4.000407 2.158312 5.095128 3.509879 4.495524 1.091790 5.801012 4.121208 6.603755 5.175170 6.334888 5.053126 6.740811 8.005491 8.829242 8.087499 9.653443 8.972412 9.708044 2.496385 6.040721 5.081264 4.106196 3.701221 1.770181 1.774416 0.000000 4.902422 8.224720 2.305068 3.841329 4.562712 3.395063 3.957755 3.821259 2.684705 3.224249 3.620493 3.848138 2.132382 3.205374 3.365562 1.080911 3.849303 2.139083 3.375140 3.303158 4.132142 4.989012 6.030896 4.912895 6.865537 5.900634 6.796952 4.116331 4.369274 4.276873 4.920474 3.713802 4.254992 2.688920 3.283223 0.000000 2.799364 8.147674 5.840708 5.111729 2.560917 5.406145 4.877291 6.539605 4.739200 6.498981 5.245172 5.759166 3.418042 6.971211 2.155754 3.849721 1.081341 3.391293 2.141407 6.360393 5.655344 3.778364 4.841159 4.313182 6.083954 5.673415 6.422907 7.446215 4.849964 6.287968 6.557300 5.206894 7.669404 6.242162 7.631401 4.930545 0.000000 5.621398 6.060291 4.715127 5.724594 2.694291 5.034614 4.945621 4.963287 4.682085 5.492023 5.502393 5.766935 3.419727 5.193747 3.864138 2.152564 3.396956 1.082185 2.152845 5.033784 4.878205 2.749001 3.611211 2.940547 4.427872 3.892668 4.532811 6.483686 5.940186 6.385238 6.830402 5.250686 6.085524 4.313356 5.320847 2.474462 4.284419 0.000000 6.058980 9.971052 2.746105 4.493325 7.267622 2.135165 3.238524 2.151005 3.319546 4.009159 2.857234 5.000659 4.030866 4.708926 5.211350 3.966901 6.111544 5.080067 6.046239 1.078135 3.154554 7.512838 8.720505 6.900827 9.322187 7.640669 8.825868 4.098070 3.848577 2.810280 5.797778 5.583712 5.701593 4.988820 4.369026 3.373225 7.066988 5.422130 0.000000 5.970235 7.413744 5.675632 6.518298 5.830025 3.131852 2.100236 2.153690 5.242687 7.110360 4.469488 7.470475 4.849327 7.754750 5.122254 4.698268 5.270116 4.855520 5.130278 3.137551 1.079356 5.656848 6.923661 4.546448 7.252380 5.029819 6.417186 7.608637 4.609677 5.171764 8.422930 7.653836 8.829471 7.496842 7.675568 4.888334 5.836169 5.159948 4.167710 0.000000 7.498528 4.888296 8.441739 8.770651 2.560167 8.468438 7.939004 8.453587 8.043665 9.022990 8.836335 8.835457 6.531211 8.663856 6.121516 5.748207 4.859000 4.381744 3.808751 8.743935 7.938003 2.139594 1.082804 3.394350 2.159578 3.873606 3.393469 10.097669 8.902336 9.856609 9.771351 8.016988 9.323648 7.620026 8.994029 6.400014 4.900167 4.037820 9.317030 7.791837 0.000000 5.679775 4.879852 6.224205 6.860166 2.691579 4.993047 4.139884 4.609412 5.714778 7.369029 5.839457 7.456528 4.452929 7.545282 4.298144 3.806632 3.518838 2.897041 2.699484 5.213292 3.865489 2.153487 3.401313 1.082734 3.878127 2.151101 3.390170 8.251613 5.916174 6.851992 8.508327 7.120134 8.530146 6.827014 7.673134 4.409364 3.952441 2.934212 6.053309 3.538681 4.284183 0.000000 9.520176 2.864462 9.993193 10.687252 4.514949 9.689233 9.040483 9.121444 9.749674 10.735029 10.358864 10.798212 8.297710 10.294586 8.061672 7.314464 6.851947 5.950153 5.672386 9.713750 8.690033 3.393487 2.153384 3.877671 1.082290 3.400314 2.149320 11.759140 10.508880 11.357922 11.802274 10.078066 11.037216 9.297005 10.403222 7.764485 6.957424 5.299379 10.311606 8.314444 2.499190 4.960391 0.000000 8.148662 2.863723 8.185256 9.164796 4.578932 6.843040 5.968473 5.723945 7.917947 9.366979 7.937954 9.682404 6.764538 9.352326 6.764216 5.891699 5.961263 4.940825 4.979694 6.693929 5.220734 3.392479 3.873295 2.151628 3.400147 1.082338 2.149261 10.196882 8.116916 8.856995 10.760027 9.361094 10.355524 8.639146 9.264531 6.205727 6.312865 4.497039 7.473830 4.559817 4.955938 2.483183 4.289622 0.000000 C19H17Cl2N3O3 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 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2842411 0.0846861 0.0794411 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= 712 RedAO= T EigKep= 1.25D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 7.16D-07 NBFU= 709 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= 723 723 723 723 723 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94345800584 -2044.94345801 1 2.038246057462e+03 -1.033609713159e+04 3.488860912922e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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. PT1005.900S Mon Jul 5 16:37:00 2021 GINC-CIBELES2-315 PAULAPLA 05-Jul-2021 0 Wavefunction difenoconazole_RR CONF7 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2044.943458 RMSD=4.829e-09 Dipole=1.3304092,-1.5722829,0.2743195 Quadrupole=5.5265276,1.5295912,-7.0561188,-3.4008557,9.0647956,-4.3716358 PG=C01 [X(C19H17Cl2N3O3)] 0 2.4943138351 0.2326666543 -3.0033826994 0 -6.9896361483 0.4211169496 1.2797104946 0 3.3910050259 -0.5306134359 1.4317046758 0 4.2404793878 -0.6359513162 -0.663556456 0 -2.1206858888 -1.2221834782 -1.6338991876 0 2.3659471509 2.1555214403 0.8080823674 0 1.3559985687 2.7743359109 0.1404655628 0 0.9787753748 2.8193711541 2.3728871674 0 3.2024527103 -0.056223902 0.0971194917 0 4.243947324 -1.6988347813 1.3985247589 0 3.4231690422 1.4655666167 0.0928904763 0 4.4357132004 -1.9339172813 -0.1056112459 0 1.8002904077 -0.4301396352 -0.4016074177 0 3.6051506738 -2.8498512549 2.1534860828 0 1.3953166905 -0.3024287816 -1.7369943564 0 0.8289619744 -0.8232520687 0.5247473562 0 0.0865505233 -0.5622624848 -2.1295011069 0 -0.4839899376 -1.0860646717 0.1586789837 0 -0.8507634086 -0.9447440941 -1.1772444684 0 2.1133130634 2.1858305815 2.1362062618 0 0.5574509852 3.1577563058 1.121855197 0 -3.2181930226 -0.8156438636 -0.8978584328 0 -4.3291193745 -1.6544067735 -0.9107338132 0 -3.2588486244 0.4078076282 -0.2294778986 0 -5.4917683107 -1.2738857095 -0.2468634119 0 -4.4180373876 0.7849268065 0.4425418291 0 -5.5258373557 -0.0577419162 0.4290055858 0 5.1956373966 -1.4168738335 1.861718814 0 3.429702764 1.8380704443 -0.9282979452 0 4.3855560949 1.6652976727 0.5643311312 0 5.4347334264 -2.2729470834 -0.3760667985 0 3.6879054424 -2.6361656347 -0.4958490019 0 4.2623635597 -3.7245027598 2.1355547001 0 2.6487465525 -3.1207268803 1.700315033 0 3.4324117433 -2.5755559562 3.1960452949 0 1.1214241027 -0.9120353917 1.5615460304 0 -0.2152629378 -0.452502481 -3.1620516656 0 -1.2160785661 -1.3811665007 0.8990074344 0 2.7678196118 1.7296397693 2.8613857017 0 -0.3524745314 3.705900442 0.9305910178 0 -4.2728227338 -2.5956287876 -1.4430834345 0 -2.3930952283 1.058025562 -0.229963156 0 -6.3615254939 -1.9179862857 -0.2497391175 0 -4.4620254113 1.7305085817 0.9673224238 Gaussian 16 5-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/gas/CONF7/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum difenoconazole_RR CONF7 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 3 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2764.1005750438 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538718477 0.000000 10.407964 0.000000 4.588753 10.425287 0.000000 3.046043 11.445924 2.263365 0.000000 5.028946 5.907303 6.344678 6.461397 0.000000 4.270962 9.526675 2.941933 3.670410 6.123891 0.000000 4.199955 8.745578 4.090384 4.538363 5.586401 1.359647 0.000000 6.155662 8.392988 4.234037 5.638968 6.480367 2.193982 2.264516 0.000000 3.193436 10.271565 1.428886 1.411457 5.717665 2.469216 3.379843 4.288695 0.000000 5.115536 11.432485 1.446842 2.319895 7.066212 4.327998 5.471034 5.659056 2.340200 0.000000 3.459729 10.532138 2.403787 2.378358 6.398448 1.450950 2.447107 3.606415 1.537719 3.520198 0.000000 4.106117 11.747507 2.328952 1.426231 6.769682 4.673572 5.631416 6.378646 2.255607 1.534426 3.552624 0.000000 2.773124 8.989676 2.429301 2.462823 4.185682 2.910148 3.280229 4.351095 1.534471 3.289608 2.544006 3.048674 0.000000 6.109760 11.122600 2.438379 3.638781 7.055409 5.329117 6.382979 6.251885 3.492157 1.517520 4.785604 2.575323 3.954874 0.000000 1.760074 8.940440 3.751732 3.059160 3.635774 3.668931 3.604564 5.177863 2.586567 4.460507 3.253686 3.816697 1.401275 5.148647 0.000000 4.041790 7.952918 2.733546 3.617402 3.676863 3.363881 3.656238 4.087391 2.530742 3.632115 3.486417 3.826171 1.398624 3.803566 2.389035 0.000000 2.681959 7.915944 4.858252 4.405627 2.356482 4.605583 4.230501 5.701141 3.862999 5.569804 4.492676 4.989267 2.437207 5.996465 1.390843 2.768452 0.000000 4.539601 6.771391 4.116395 4.816563 2.431180 4.364831 4.276515 4.721740 3.828083 4.926063 4.667016 4.999218 2.441740 4.879679 2.781988 1.388135 2.415710 0.000000 3.988812 6.751886 4.997071 5.126400 1.377755 4.888803 4.520809 5.488097 4.340741 5.758413 5.068465 5.483949 2.809718 5.880338 2.402242 2.394371 1.389835 1.392547 0.000000 5.511387 9.311900 3.083486 4.508432 6.614756 1.352278 2.214237 1.320821 3.220389 4.491592 2.531727 5.233700 3.658112 5.252044 4.659253 3.647045 5.464068 4.621893 5.437389 0.000000 5.415272 8.029486 4.661449 5.580736 5.826703 2.091312 1.322050 1.362754 4.286699 6.103546 3.483477 6.517111 4.091282 6.814990 4.565952 4.034685 4.963024 4.474631 4.909118 2.096248 0.000000 6.177776 4.527159 7.013530 7.464515 1.382589 6.551388 5.906717 6.444040 6.541513 7.857286 7.091770 7.775633 5.057673 7.746401 4.717204 4.289910 3.535884 2.943682 2.387351 6.829301 5.841459 0.000000 7.382375 4.022958 8.145566 8.633445 2.363676 7.892642 7.282812 7.679232 7.764956 8.878745 8.416619 8.806170 6.271180 8.589015 5.939673 5.418231 4.709173 4.031337 3.560001 8.095443 7.153104 1.392065 0.000000 6.389374 4.024500 6.918144 7.584048 2.434067 5.980749 5.199435 5.526789 6.486170 7.961173 6.772897 8.043960 5.130952 7.962747 4.943511 4.335269 3.967722 3.175242 2.920023 6.133347 4.894125 1.394711 2.421222 0.000000 8.581702 2.728932 9.070485 9.762030 3.645646 8.638138 7.964297 8.092328 8.785813 9.882917 9.332531 9.950401 7.342341 9.539354 7.113098 6.383579 5.930293 5.027682 4.744773 8.688263 7.622722 2.408926 1.391859 2.795411 0.000000 7.743383 2.728796 7.980616 8.843770 3.690247 6.930700 6.114613 6.082005 7.674550 9.061620 7.878454 9.278011 6.391915 8.972764 6.303000 5.488533 5.359257 4.365537 4.282629 6.891268 5.554032 2.407930 2.790987 1.391958 2.422166 0.000000 8.728600 1.759463 8.985493 9.844235 4.148079 8.205029 7.447388 7.373360 8.734598 9.953986 9.083951 10.150780 7.382462 9.702817 7.256294 6.401457 6.188651 5.152742 5.022263 8.142774 6.915625 2.767708 2.403409 2.406154 1.391749 1.391939 0.000000 5.804080 12.336849 2.055983 2.810548 8.110847 4.677532 5.939005 5.999082 2.989643 1.095338 3.818227 2.171453 4.198175 2.160602 5.351183 4.605186 6.539340 5.938682 6.783595 4.749268 6.556479 8.875206 9.922898 8.898365 10.894366 9.964172 10.901831 0.000000 2.785364 10.744565 3.343916 2.616912 6.377291 2.060914 2.513782 4.227034 2.165981 4.311241 1.087027 3.989582 2.842035 5.612912 3.061773 3.994725 4.287325 5.004905 5.111597 3.353357 3.767563 7.158048 8.508644 6.875371 9.473187 8.035878 9.254084 4.636527 0.000000 4.284602 11.465372 2.561932 2.612375 7.449896 2.092500 3.253897 4.026030 2.140481 3.468907 1.090109 3.661378 3.465183 4.849847 4.255535 4.340946 5.540777 5.607765 6.104461 2.811554 4.146403 8.130810 9.441495 7.787704 10.337232 8.848341 10.060959 3.440818 1.780856 0.000000 4.671933 12.820473 3.237374 2.046619 7.731145 5.516429 6.509835 7.303699 3.181327 2.212861 4.271159 1.089095 4.075018 3.174717 4.695951 4.911844 5.882519 6.060192 6.474062 6.101151 7.451456 8.790286 9.798024 9.098698 10.972842 10.348807 11.211128 2.407844 4.607122 4.182690 0.000000 3.992817 11.247643 2.870011 2.081903 6.085576 5.138879 5.925893 6.732898 2.691352 2.185503 4.152217 1.097568 2.904914 2.659227 3.498962 3.535793 4.465384 4.498436 4.891290 5.714779 6.781316 7.153328 8.087562 7.589079 9.283545 8.848207 9.612319 3.052549 4.502496 4.484784 1.788207 0.000000 6.722638 12.021902 3.384612 4.168291 7.823919 6.319277 7.393392 7.325337 4.328383 2.155663 5.640350 2.873860 4.832373 1.094196 5.909923 4.774956 6.754841 5.779037 6.696698 6.288916 7.881590 8.580314 9.347660 8.901573 10.335595 9.927266 10.590860 2.504224 6.404900 5.615503 3.128851 2.904955 0.000000 5.778743 10.277159 2.707727 3.780954 6.121188 5.358624 6.233466 6.206925 3.502571 2.158129 4.921141 2.804128 3.518127 1.092450 4.618332 3.157842 5.270491 4.041105 5.026114 5.351284 6.642852 6.817983 7.593305 7.146631 8.571482 8.171631 8.821674 3.068521 5.666495 5.216608 3.576565 2.477456 1.777003 0.000000 6.870156 11.012333 2.701185 4.394493 7.483106 5.405812 6.501492 5.983574 4.000407 2.158312 5.095128 3.509879 4.495524 1.091790 5.801012 4.121208 6.603755 5.175170 6.334888 5.053126 6.740811 8.005491 8.829242 8.087499 9.653443 8.972412 9.708044 2.496385 6.040721 5.081264 4.106196 3.701221 1.770181 1.774416 0.000000 4.902422 8.224720 2.305068 3.841329 4.562712 3.395063 3.957755 3.821259 2.684705 3.224249 3.620493 3.848138 2.132382 3.205374 3.365562 1.080911 3.849303 2.139083 3.375140 3.303158 4.132142 4.989012 6.030896 4.912895 6.865537 5.900634 6.796952 4.116331 4.369274 4.276873 4.920474 3.713802 4.254992 2.688920 3.283223 0.000000 2.799364 8.147674 5.840708 5.111729 2.560917 5.406145 4.877291 6.539605 4.739200 6.498981 5.245172 5.759166 3.418042 6.971211 2.155754 3.849721 1.081341 3.391293 2.141407 6.360393 5.655344 3.778364 4.841159 4.313182 6.083954 5.673415 6.422907 7.446215 4.849964 6.287968 6.557300 5.206894 7.669404 6.242162 7.631401 4.930545 0.000000 5.621398 6.060291 4.715127 5.724594 2.694291 5.034614 4.945621 4.963287 4.682085 5.492023 5.502393 5.766935 3.419727 5.193747 3.864138 2.152564 3.396956 1.082185 2.152845 5.033784 4.878205 2.749001 3.611211 2.940547 4.427872 3.892668 4.532811 6.483686 5.940186 6.385238 6.830402 5.250686 6.085524 4.313356 5.320847 2.474462 4.284419 0.000000 6.058980 9.971052 2.746105 4.493325 7.267622 2.135165 3.238524 2.151005 3.319546 4.009159 2.857234 5.000659 4.030866 4.708926 5.211350 3.966901 6.111544 5.080067 6.046239 1.078135 3.154554 7.512838 8.720505 6.900827 9.322187 7.640669 8.825868 4.098070 3.848577 2.810280 5.797778 5.583712 5.701593 4.988820 4.369026 3.373225 7.066988 5.422130 0.000000 5.970235 7.413744 5.675632 6.518298 5.830025 3.131852 2.100236 2.153690 5.242687 7.110360 4.469488 7.470475 4.849327 7.754750 5.122254 4.698268 5.270116 4.855520 5.130278 3.137551 1.079356 5.656848 6.923661 4.546448 7.252380 5.029819 6.417186 7.608637 4.609677 5.171764 8.422930 7.653836 8.829471 7.496842 7.675568 4.888334 5.836169 5.159948 4.167710 0.000000 7.498528 4.888296 8.441739 8.770651 2.560167 8.468438 7.939004 8.453587 8.043665 9.022990 8.836335 8.835457 6.531211 8.663856 6.121516 5.748207 4.859000 4.381744 3.808751 8.743935 7.938003 2.139594 1.082804 3.394350 2.159578 3.873606 3.393469 10.097669 8.902336 9.856609 9.771351 8.016988 9.323648 7.620026 8.994029 6.400014 4.900167 4.037820 9.317030 7.791837 0.000000 5.679775 4.879852 6.224205 6.860166 2.691579 4.993047 4.139884 4.609412 5.714778 7.369029 5.839457 7.456528 4.452929 7.545282 4.298144 3.806632 3.518838 2.897041 2.699484 5.213292 3.865489 2.153487 3.401313 1.082734 3.878127 2.151101 3.390170 8.251613 5.916174 6.851992 8.508327 7.120134 8.530146 6.827014 7.673134 4.409364 3.952441 2.934212 6.053309 3.538681 4.284183 0.000000 9.520176 2.864462 9.993193 10.687252 4.514949 9.689233 9.040483 9.121444 9.749674 10.735029 10.358864 10.798212 8.297710 10.294586 8.061672 7.314464 6.851947 5.950153 5.672386 9.713750 8.690033 3.393487 2.153384 3.877671 1.082290 3.400314 2.149320 11.759140 10.508880 11.357922 11.802274 10.078066 11.037216 9.297005 10.403222 7.764485 6.957424 5.299379 10.311606 8.314444 2.499190 4.960391 0.000000 8.148662 2.863723 8.185256 9.164796 4.578932 6.843040 5.968473 5.723945 7.917947 9.366979 7.937954 9.682404 6.764538 9.352326 6.764216 5.891699 5.961263 4.940825 4.979694 6.693929 5.220734 3.392479 3.873295 2.151628 3.400147 1.082338 2.149261 10.196882 8.116916 8.856995 10.760027 9.361094 10.355524 8.639146 9.264531 6.205727 6.312865 4.497039 7.473830 4.559817 4.955938 2.483183 4.289622 0.000000 C19H17Cl2N3O3 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 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2842411 0.0846861 0.0794411 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= 712 RedAO= T EigKep= 1.25D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 7.16D-07 NBFU= 709 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= 723 723 723 723 723 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94345800584 -2044.94345800589 -0.000000000052 -2044.94345801 2 2.038246057973e+03 -1.033609713138e+04 3.488860912203e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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 4.5487 272.57 0.0147 0.000 101 109 0.10471 104 107 -0.11780 105 106 0.66703 -2044.77629745 2 Singlet-A 4.7983 258.39 0.2703 0.000 105 106 0.10395 105 107 0.67631 3 Singlet-A 4.9199 252.01 0.0162 0.000 101 107 0.15398 101 109 0.13160 103 106 -0.15208 103 107 -0.11408 104 107 0.17021 105 108 0.59481 4 Singlet-A 5.2486 236.23 0.0086 0.000 103 106 0.34909 103 107 0.12947 104 106 0.38125 104 107 -0.27245 105 108 0.29458 105 109 0.13428 5 Singlet-A 5.3360 232.35 0.0147 0.000 103 107 0.11197 104 107 0.34147 104 108 0.12661 105 109 0.56416 6 Singlet-A 5.4508 227.46 0.1977 0.000 101 107 -0.10145 102 106 -0.12869 103 106 -0.19808 103 108 0.13324 104 106 0.51383 104 107 0.17092 104 108 0.15974 105 109 -0.23125 7 Singlet-A 5.5773 222.30 0.0079 0.000 101 107 -0.11097 102 106 0.48079 102 108 -0.12215 103 106 0.20256 103 107 -0.14813 103 108 0.13018 104 108 0.28367 105 110 0.12324 105 112 0.16631 8 Singlet-A 5.6035 221.26 0.0189 0.000 102 106 -0.22268 105 110 0.45298 105 111 -0.16282 105 112 0.39845 9 Singlet-A 5.6213 220.56 0.0022 0.000 102 106 0.21257 103 106 -0.13450 103 107 0.17221 105 110 0.44213 105 111 0.30888 105 112 -0.24441 10 Singlet-A 5.6413 219.78 0.0067 0.000 102 106 0.25747 102 107 0.22187 103 106 -0.28877 103 107 0.29888 103 108 -0.17574 104 106 0.10707 104 108 -0.13172 105 110 -0.13643 105 111 -0.20474 105 112 0.22612 PT72031.700S Mon Jul 5 17:52:04 2021 GINC-CIBELES2-315 PAULAPLA 05-Jul-2021 0 Electronic spectrum difenoconazole_RR CONF7 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2044.943458 RMSD=2.635e-09 PG=C01 [X(C19H17Cl2N3O3)] 0 2.4943138351 0.2326666543 -3.0033826994 0 -6.9896361483 0.4211169496 1.2797104946 0 3.3910050259 -0.5306134359 1.4317046758 0 4.2404793878 -0.6359513162 -0.663556456 0 -2.1206858888 -1.2221834782 -1.6338991876 0 2.3659471509 2.1555214403 0.8080823674 0 1.3559985687 2.7743359109 0.1404655628 0 0.9787753748 2.8193711541 2.3728871674 0 3.2024527103 -0.056223902 0.0971194917 0 4.243947324 -1.6988347813 1.3985247589 0 3.4231690422 1.4655666167 0.0928904763 0 4.4357132004 -1.9339172813 -0.1056112459 0 1.8002904077 -0.4301396352 -0.4016074177 0 3.6051506738 -2.8498512549 2.1534860828 0 1.3953166905 -0.3024287816 -1.7369943564 0 0.8289619744 -0.8232520687 0.5247473562 0 0.0865505233 -0.5622624848 -2.1295011069 0 -0.4839899376 -1.0860646717 0.1586789837 0 -0.8507634086 -0.9447440941 -1.1772444684 0 2.1133130634 2.1858305815 2.1362062618 0 0.5574509852 3.1577563058 1.121855197 0 -3.2181930226 -0.8156438636 -0.8978584328 0 -4.3291193745 -1.6544067735 -0.9107338132 0 -3.2588486244 0.4078076282 -0.2294778986 0 -5.4917683107 -1.2738857095 -0.2468634119 0 -4.4180373876 0.7849268065 0.4425418291 0 -5.5258373557 -0.0577419162 0.4290055858 0 5.1956373966 -1.4168738335 1.861718814 0 3.429702764 1.8380704443 -0.9282979452 0 4.3855560949 1.6652976727 0.5643311312 0 5.4347334264 -2.2729470834 -0.3760667985 0 3.6879054424 -2.6361656347 -0.4958490019 0 4.2623635597 -3.7245027598 2.1355547001 0 2.6487465525 -3.1207268803 1.700315033 0 3.4324117433 -2.5755559562 3.1960452949 0 1.1214241027 -0.9120353917 1.5615460304 0 -0.2152629378 -0.452502481 -3.1620516656 0 -1.2160785661 -1.3811665007 0.8990074344 0 2.7678196118 1.7296397693 2.8613857017 0 -0.3524745314 3.705900442 0.9305910178 0 -4.2728227338 -2.5956287876 -1.4430834345 0 -2.3930952283 1.058025562 -0.229963156 0 -6.3615254939 -1.9179862857 -0.2497391175 0 -4.4620254113 1.7305085817 0.9673224238 Gaussian 16 5-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/gas/CONF7/o #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point difenoconazole_RR CONF7 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 3 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1384 A 1222 A 1222 1787 1384 105 105 2764.1005750438 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0538718477 0.000000 10.407964 0.000000 4.588753 10.425287 0.000000 3.046043 11.445924 2.263365 0.000000 5.028946 5.907303 6.344678 6.461397 0.000000 4.270962 9.526675 2.941933 3.670410 6.123891 0.000000 4.199955 8.745578 4.090384 4.538363 5.586401 1.359647 0.000000 6.155662 8.392988 4.234037 5.638968 6.480367 2.193982 2.264516 0.000000 3.193436 10.271565 1.428886 1.411457 5.717665 2.469216 3.379843 4.288695 0.000000 5.115536 11.432485 1.446842 2.319895 7.066212 4.327998 5.471034 5.659056 2.340200 0.000000 3.459729 10.532138 2.403787 2.378358 6.398448 1.450950 2.447107 3.606415 1.537719 3.520198 0.000000 4.106117 11.747507 2.328952 1.426231 6.769682 4.673572 5.631416 6.378646 2.255607 1.534426 3.552624 0.000000 2.773124 8.989676 2.429301 2.462823 4.185682 2.910148 3.280229 4.351095 1.534471 3.289608 2.544006 3.048674 0.000000 6.109760 11.122600 2.438379 3.638781 7.055409 5.329117 6.382979 6.251885 3.492157 1.517520 4.785604 2.575323 3.954874 0.000000 1.760074 8.940440 3.751732 3.059160 3.635774 3.668931 3.604564 5.177863 2.586567 4.460507 3.253686 3.816697 1.401275 5.148647 0.000000 4.041790 7.952918 2.733546 3.617402 3.676863 3.363881 3.656238 4.087391 2.530742 3.632115 3.486417 3.826171 1.398624 3.803566 2.389035 0.000000 2.681959 7.915944 4.858252 4.405627 2.356482 4.605583 4.230501 5.701141 3.862999 5.569804 4.492676 4.989267 2.437207 5.996465 1.390843 2.768452 0.000000 4.539601 6.771391 4.116395 4.816563 2.431180 4.364831 4.276515 4.721740 3.828083 4.926063 4.667016 4.999218 2.441740 4.879679 2.781988 1.388135 2.415710 0.000000 3.988812 6.751886 4.997071 5.126400 1.377755 4.888803 4.520809 5.488097 4.340741 5.758413 5.068465 5.483949 2.809718 5.880338 2.402242 2.394371 1.389835 1.392547 0.000000 5.511387 9.311900 3.083486 4.508432 6.614756 1.352278 2.214237 1.320821 3.220389 4.491592 2.531727 5.233700 3.658112 5.252044 4.659253 3.647045 5.464068 4.621893 5.437389 0.000000 5.415272 8.029486 4.661449 5.580736 5.826703 2.091312 1.322050 1.362754 4.286699 6.103546 3.483477 6.517111 4.091282 6.814990 4.565952 4.034685 4.963024 4.474631 4.909118 2.096248 0.000000 6.177776 4.527159 7.013530 7.464515 1.382589 6.551388 5.906717 6.444040 6.541513 7.857286 7.091770 7.775633 5.057673 7.746401 4.717204 4.289910 3.535884 2.943682 2.387351 6.829301 5.841459 0.000000 7.382375 4.022958 8.145566 8.633445 2.363676 7.892642 7.282812 7.679232 7.764956 8.878745 8.416619 8.806170 6.271180 8.589015 5.939673 5.418231 4.709173 4.031337 3.560001 8.095443 7.153104 1.392065 0.000000 6.389374 4.024500 6.918144 7.584048 2.434067 5.980749 5.199435 5.526789 6.486170 7.961173 6.772897 8.043960 5.130952 7.962747 4.943511 4.335269 3.967722 3.175242 2.920023 6.133347 4.894125 1.394711 2.421222 0.000000 8.581702 2.728932 9.070485 9.762030 3.645646 8.638138 7.964297 8.092328 8.785813 9.882917 9.332531 9.950401 7.342341 9.539354 7.113098 6.383579 5.930293 5.027682 4.744773 8.688263 7.622722 2.408926 1.391859 2.795411 0.000000 7.743383 2.728796 7.980616 8.843770 3.690247 6.930700 6.114613 6.082005 7.674550 9.061620 7.878454 9.278011 6.391915 8.972764 6.303000 5.488533 5.359257 4.365537 4.282629 6.891268 5.554032 2.407930 2.790987 1.391958 2.422166 0.000000 8.728600 1.759463 8.985493 9.844235 4.148079 8.205029 7.447388 7.373360 8.734598 9.953986 9.083951 10.150780 7.382462 9.702817 7.256294 6.401457 6.188651 5.152742 5.022263 8.142774 6.915625 2.767708 2.403409 2.406154 1.391749 1.391939 0.000000 5.804080 12.336849 2.055983 2.810548 8.110847 4.677532 5.939005 5.999082 2.989643 1.095338 3.818227 2.171453 4.198175 2.160602 5.351183 4.605186 6.539340 5.938682 6.783595 4.749268 6.556479 8.875206 9.922898 8.898365 10.894366 9.964172 10.901831 0.000000 2.785364 10.744565 3.343916 2.616912 6.377291 2.060914 2.513782 4.227034 2.165981 4.311241 1.087027 3.989582 2.842035 5.612912 3.061773 3.994725 4.287325 5.004905 5.111597 3.353357 3.767563 7.158048 8.508644 6.875371 9.473187 8.035878 9.254084 4.636527 0.000000 4.284602 11.465372 2.561932 2.612375 7.449896 2.092500 3.253897 4.026030 2.140481 3.468907 1.090109 3.661378 3.465183 4.849847 4.255535 4.340946 5.540777 5.607765 6.104461 2.811554 4.146403 8.130810 9.441495 7.787704 10.337232 8.848341 10.060959 3.440818 1.780856 0.000000 4.671933 12.820473 3.237374 2.046619 7.731145 5.516429 6.509835 7.303699 3.181327 2.212861 4.271159 1.089095 4.075018 3.174717 4.695951 4.911844 5.882519 6.060192 6.474062 6.101151 7.451456 8.790286 9.798024 9.098698 10.972842 10.348807 11.211128 2.407844 4.607122 4.182690 0.000000 3.992817 11.247643 2.870011 2.081903 6.085576 5.138879 5.925893 6.732898 2.691352 2.185503 4.152217 1.097568 2.904914 2.659227 3.498962 3.535793 4.465384 4.498436 4.891290 5.714779 6.781316 7.153328 8.087562 7.589079 9.283545 8.848207 9.612319 3.052549 4.502496 4.484784 1.788207 0.000000 6.722638 12.021902 3.384612 4.168291 7.823919 6.319277 7.393392 7.325337 4.328383 2.155663 5.640350 2.873860 4.832373 1.094196 5.909923 4.774956 6.754841 5.779037 6.696698 6.288916 7.881590 8.580314 9.347660 8.901573 10.335595 9.927266 10.590860 2.504224 6.404900 5.615503 3.128851 2.904955 0.000000 5.778743 10.277159 2.707727 3.780954 6.121188 5.358624 6.233466 6.206925 3.502571 2.158129 4.921141 2.804128 3.518127 1.092450 4.618332 3.157842 5.270491 4.041105 5.026114 5.351284 6.642852 6.817983 7.593305 7.146631 8.571482 8.171631 8.821674 3.068521 5.666495 5.216608 3.576565 2.477456 1.777003 0.000000 6.870156 11.012333 2.701185 4.394493 7.483106 5.405812 6.501492 5.983574 4.000407 2.158312 5.095128 3.509879 4.495524 1.091790 5.801012 4.121208 6.603755 5.175170 6.334888 5.053126 6.740811 8.005491 8.829242 8.087499 9.653443 8.972412 9.708044 2.496385 6.040721 5.081264 4.106196 3.701221 1.770181 1.774416 0.000000 4.902422 8.224720 2.305068 3.841329 4.562712 3.395063 3.957755 3.821259 2.684705 3.224249 3.620493 3.848138 2.132382 3.205374 3.365562 1.080911 3.849303 2.139083 3.375140 3.303158 4.132142 4.989012 6.030896 4.912895 6.865537 5.900634 6.796952 4.116331 4.369274 4.276873 4.920474 3.713802 4.254992 2.688920 3.283223 0.000000 2.799364 8.147674 5.840708 5.111729 2.560917 5.406145 4.877291 6.539605 4.739200 6.498981 5.245172 5.759166 3.418042 6.971211 2.155754 3.849721 1.081341 3.391293 2.141407 6.360393 5.655344 3.778364 4.841159 4.313182 6.083954 5.673415 6.422907 7.446215 4.849964 6.287968 6.557300 5.206894 7.669404 6.242162 7.631401 4.930545 0.000000 5.621398 6.060291 4.715127 5.724594 2.694291 5.034614 4.945621 4.963287 4.682085 5.492023 5.502393 5.766935 3.419727 5.193747 3.864138 2.152564 3.396956 1.082185 2.152845 5.033784 4.878205 2.749001 3.611211 2.940547 4.427872 3.892668 4.532811 6.483686 5.940186 6.385238 6.830402 5.250686 6.085524 4.313356 5.320847 2.474462 4.284419 0.000000 6.058980 9.971052 2.746105 4.493325 7.267622 2.135165 3.238524 2.151005 3.319546 4.009159 2.857234 5.000659 4.030866 4.708926 5.211350 3.966901 6.111544 5.080067 6.046239 1.078135 3.154554 7.512838 8.720505 6.900827 9.322187 7.640669 8.825868 4.098070 3.848577 2.810280 5.797778 5.583712 5.701593 4.988820 4.369026 3.373225 7.066988 5.422130 0.000000 5.970235 7.413744 5.675632 6.518298 5.830025 3.131852 2.100236 2.153690 5.242687 7.110360 4.469488 7.470475 4.849327 7.754750 5.122254 4.698268 5.270116 4.855520 5.130278 3.137551 1.079356 5.656848 6.923661 4.546448 7.252380 5.029819 6.417186 7.608637 4.609677 5.171764 8.422930 7.653836 8.829471 7.496842 7.675568 4.888334 5.836169 5.159948 4.167710 0.000000 7.498528 4.888296 8.441739 8.770651 2.560167 8.468438 7.939004 8.453587 8.043665 9.022990 8.836335 8.835457 6.531211 8.663856 6.121516 5.748207 4.859000 4.381744 3.808751 8.743935 7.938003 2.139594 1.082804 3.394350 2.159578 3.873606 3.393469 10.097669 8.902336 9.856609 9.771351 8.016988 9.323648 7.620026 8.994029 6.400014 4.900167 4.037820 9.317030 7.791837 0.000000 5.679775 4.879852 6.224205 6.860166 2.691579 4.993047 4.139884 4.609412 5.714778 7.369029 5.839457 7.456528 4.452929 7.545282 4.298144 3.806632 3.518838 2.897041 2.699484 5.213292 3.865489 2.153487 3.401313 1.082734 3.878127 2.151101 3.390170 8.251613 5.916174 6.851992 8.508327 7.120134 8.530146 6.827014 7.673134 4.409364 3.952441 2.934212 6.053309 3.538681 4.284183 0.000000 9.520176 2.864462 9.993193 10.687252 4.514949 9.689233 9.040483 9.121444 9.749674 10.735029 10.358864 10.798212 8.297710 10.294586 8.061672 7.314464 6.851947 5.950153 5.672386 9.713750 8.690033 3.393487 2.153384 3.877671 1.082290 3.400314 2.149320 11.759140 10.508880 11.357922 11.802274 10.078066 11.037216 9.297005 10.403222 7.764485 6.957424 5.299379 10.311606 8.314444 2.499190 4.960391 0.000000 8.148662 2.863723 8.185256 9.164796 4.578932 6.843040 5.968473 5.723945 7.917947 9.366979 7.937954 9.682404 6.764538 9.352326 6.764216 5.891699 5.961263 4.940825 4.979694 6.693929 5.220734 3.392479 3.873295 2.151628 3.400147 1.082338 2.149261 10.196882 8.116916 8.856995 10.760027 9.361094 10.355524 8.639146 9.264531 6.205727 6.312865 4.497039 7.473830 4.559817 4.955938 2.483183 4.289622 0.000000 C19H17Cl2N3O3 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 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2842411 0.0846861 0.0794411 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= 1222 RedAO= T EigKep= 1.02D-06 NBF= 1222 NBsUse= 1216 1.00D-06 EigRej= 9.17D-07 NBFU= 1216 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= 1355 1355 1355 1355 1355 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94820142921 -2045.03336873745 -0.085167308247 -2045.03311654988 0.000252187569 -2045.03395760915 -0.000841059265 -2045.03399955458 -0.000041945435 -2045.03401507535 -0.000015520769 -2045.03401667280 -0.000001597447 -2045.03401674339 -0.000000070588 -2045.03401675638 -0.000000012993 -2045.03401675788 -0.000000001495 -2045.03401675837 -0.000000000497 -2045.03401675825 0.000000000126 -2045.03401675808 0.000000000168 -2045.03401676 13 2.037831977867e+03 -1.033625378123e+04 3.489341083413e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2827289734 LenY= 2825372894 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. PT66912.600S Mon Jul 5 19:01:48 2021 GINC-CIBELES2-315 PAULAPLA 05-Jul-2021 0 Single Point difenoconazole_RR CONF7 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2045.0340168 RMSD=2.600e-09 Dipole=1.3189133,-1.5387556,0.2442853 Quadrupole=5.1744864,1.4959887,-6.6704751,-3.1603864,9.0065256,-4.1717936 PG=C01 [X(C19H17Cl2N3O3)] 0 2.4943138351 0.2326666543 -3.0033826994 0 -6.9896361483 0.4211169496 1.2797104946 0 3.3910050259 -0.5306134359 1.4317046758 0 4.2404793878 -0.6359513162 -0.663556456 0 -2.1206858888 -1.2221834782 -1.6338991876 0 2.3659471509 2.1555214403 0.8080823674 0 1.3559985687 2.7743359109 0.1404655628 0 0.9787753748 2.8193711541 2.3728871674 0 3.2024527103 -0.056223902 0.0971194917 0 4.243947324 -1.6988347813 1.3985247589 0 3.4231690422 1.4655666167 0.0928904763 0 4.4357132004 -1.9339172813 -0.1056112459 0 1.8002904077 -0.4301396352 -0.4016074177 0 3.6051506738 -2.8498512549 2.1534860828 0 1.3953166905 -0.3024287816 -1.7369943564 0 0.8289619744 -0.8232520687 0.5247473562 0 0.0865505233 -0.5622624848 -2.1295011069 0 -0.4839899376 -1.0860646717 0.1586789837 0 -0.8507634086 -0.9447440941 -1.1772444684 0 2.1133130634 2.1858305815 2.1362062618 0 0.5574509852 3.1577563058 1.121855197 0 -3.2181930226 -0.8156438636 -0.8978584328 0 -4.3291193745 -1.6544067735 -0.9107338132 0 -3.2588486244 0.4078076282 -0.2294778986 0 -5.4917683107 -1.2738857095 -0.2468634119 0 -4.4180373876 0.7849268065 0.4425418291 0 -5.5258373557 -0.0577419162 0.4290055858 0 5.1956373966 -1.4168738335 1.861718814 0 3.429702764 1.8380704443 -0.9282979452 0 4.3855560949 1.6652976727 0.5643311312 0 5.4347334264 -2.2729470834 -0.3760667985 0 3.6879054424 -2.6361656347 -0.4958490019 0 4.2623635597 -3.7245027598 2.1355547001 0 2.6487465525 -3.1207268803 1.700315033 0 3.4324117433 -2.5755559562 3.1960452949 0 1.1214241027 -0.9120353917 1.5615460304 0 -0.2152629378 -0.452502481 -3.1620516656 0 -1.2160785661 -1.3811665007 0.8990074344 0 2.7678196118 1.7296397693 2.8613857017 0 -0.3524745314 3.705900442 0.9305910178 0 -4.2728227338 -2.5956287876 -1.4430834345 0 -2.3930952283 1.058025562 -0.229963156 0 -6.3615254939 -1.9179862857 -0.2497391175 0 -4.4620254113 1.7305085817 0.9673224238