Gaussian 16 GINC-DEPAZ17 PAULAPLA Optimization prochloraz CONF643 gas EM64L-G16RevC.01 9-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 39 39 97 97 626 (5D, 7F) 6-311+G(d,p) 111 111 C1[X(C15H16Cl3N3O2)] C1[X(C15H16Cl3N3O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 360.5383999999998 0 1 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2940685/Gau-19883.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2940685/" chk=/home/paulapla/almacen/ADAMA/censo_results/prochloraz/gas/CONF643/opt-b3lyp #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 prochloraz CONF643 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 35 35 35 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 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 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 3 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -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 1 2 3 4 4 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 14 14 14 15 15 16 16 17 18 19 20 21 21 22 22 18 19 23 12 15 13 9 10 13 13 16 17 17 20 11 24 25 12 26 27 14 28 29 30 31 32 33 34 18 19 20 35 36 21 22 37 23 38 23 39 1.7206 1.7186 1.7227 1.422 1.3449 1.2046 1.4597 1.4561 1.3556 1.4218 1.3784 1.3662 1.2959 1.3672 1.5226 1.0939 1.0903 1.516 1.0904 1.0911 1.5223 1.0912 1.0909 1.0931 1.095 1.0893 1.0922 1.0914 1.3924 1.393 1.3591 1.0759 1.0781 1.3846 1.3845 1.0783 1.3848 1.0803 1.3847 1.0804 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 12 9 9 10 13 13 16 17 6 6 6 11 11 24 6 6 6 12 12 26 9 9 9 14 14 28 4 4 4 10 10 30 5 5 6 11 11 11 32 32 33 4 4 18 7 7 20 7 7 8 1 1 15 2 2 15 8 8 16 18 18 23 19 19 23 3 3 21 4 6 6 6 7 7 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 15 10 13 13 16 17 17 20 11 24 25 24 25 25 12 26 27 26 27 27 14 28 29 28 29 29 10 30 31 30 31 31 6 7 7 32 33 34 33 34 34 18 19 19 20 35 35 8 36 36 15 21 21 15 22 22 16 37 37 23 38 38 23 39 39 21 22 22 115.8521 117.9505 116.7255 124.1712 129.077 124.2028 106.3813 105.6608 115.7101 107.1388 107.8545 109.9245 109.4811 106.2977 116.1862 106.6576 112.0461 108.3102 107.3815 105.7153 110.7485 110.1339 109.2035 109.9037 110.1111 106.653 108.7226 110.7182 110.3599 111.6484 107.9444 107.4084 125.0587 119.5439 115.3844 111.1176 111.7283 111.3829 107.3488 107.4753 107.5703 121.3714 120.7778 117.833 105.3034 122.8887 131.6583 111.9385 121.8271 126.2225 118.7757 119.5352 121.6772 118.6172 119.7098 121.6593 110.6869 121.6508 127.657 118.765 120.3609 120.8738 118.7758 120.3549 120.8689 119.3343 119.3785 121.2858 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 15 15 15 12 12 10 10 10 13 13 13 9 9 9 13 13 13 9 9 10 10 16 16 17 17 13 13 17 17 13 13 16 16 20 20 17 17 6 6 6 24 24 24 25 25 25 6 6 6 26 26 26 27 27 27 9 9 9 28 28 28 29 29 29 4 4 19 19 4 4 18 18 7 7 35 35 1 1 15 15 2 2 15 15 18 18 38 38 19 19 39 39 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 21 21 21 21 22 22 22 22 12 12 12 15 15 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 13 13 13 13 16 16 16 16 17 17 17 17 17 17 20 20 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 10 30 31 18 19 11 24 25 11 24 25 12 26 27 12 26 27 5 7 5 7 5 6 5 6 20 35 20 35 8 36 8 36 7 36 16 37 14 28 29 14 28 29 14 28 29 4 30 31 4 30 31 4 30 31 32 33 34 32 33 34 32 33 34 1 21 1 21 2 22 2 22 8 37 8 37 23 38 23 38 23 39 23 39 3 22 3 22 3 21 3 21 170.3358 47.3355 -71.4507 88.3426 -93.2219 -80.1246 42.8509 156.9216 88.1256 -148.8988 -34.8281 114.3977 -6.4373 -121.6636 -52.903 -173.738 71.0358 -11.6807 166.9997 155.7619 -25.5577 133.3811 -45.3772 -38.998 142.2436 -174.3728 1.6528 -0.9373 175.0882 175.5559 -5.6244 1.716 -179.4644 -1.7213 179.5219 1.0881 -178.1352 -176.3703 61.8514 -54.9505 62.1351 -59.6432 -176.4451 -54.2785 -176.0568 67.1413 -64.722 57.7171 175.5491 55.2254 177.6646 -64.5035 168.9624 -68.5984 49.2335 -179.5091 -59.64 60.6934 -57.5957 62.2734 -177.3932 59.6075 179.4766 -60.19 -0.7363 178.0047 -179.2163 -0.4753 0.5992 -178.0492 179.0887 0.4402 -0.0631 179.1017 -175.5951 3.5697 179.2673 -0.9195 0.5356 -179.6512 -179.1009 1.1181 -0.4669 179.7521 179.8903 -0.5571 0.0781 179.6307 -179.924 0.5236 -0.1441 -179.6965 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 649 A 626 A 1007 649 2459.3901673794 39 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= 626 RedAO= T EigKep= 1.09D-06 NBF= 626 NBsUse= 624 1.00D-06 EigRej= 8.39D-07 NBFU= 624 Berny optimization. local minimum Step number 13 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00288 0.00435 0.00579 0.00628 0.00914 0.01376 0.01484 0.01736 0.01890 0.02203 0.02243 0.02267 0.02279 0.02288 0.02291 0.02292 0.02293 0.02302 0.02323 0.02430 0.02471 0.02560 0.02595 0.02926 0.03746 0.04122 0.04781 0.04899 0.04970 0.05494 0.05526 0.05576 0.05683 0.05761 0.05883 0.08177 0.09750 0.09911 0.10133 0.11388 0.12063 0.13091 0.13859 0.15527 0.15922 0.15968 0.16001 0.16002 0.16004 0.16011 0.16031 0.16967 0.20433 0.21910 0.22044 0.23279 0.23363 0.23486 0.23633 0.24304 0.24667 0.24781 0.24971 0.25006 0.25189 0.25423 0.26637 0.28530 0.29423 0.30203 0.30243 0.31143 0.32366 0.33315 0.33786 0.34200 0.34345 0.34485 0.34575 0.34614 0.34664 0.34728 0.34761 0.34901 0.34947 0.35121 0.35539 0.35952 0.35968 0.36244 0.36466 0.36535 0.37924 0.41015 0.42109 0.43590 0.43877 0.45025 0.46336 0.46974 0.48045 0.48493 0.49438 0.50522 0.51408 0.52357 0.53458 0.58708 0.61440 0.66787 1.03129 -5.39182680e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 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 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 3.30761 3.30217 3.31256 2.72447 2.57163 2.29461 2.78789 2.78132 2.57477 2.71806 2.62773 2.60462 2.47112 2.61093 2.89174 2.06871 2.06148 2.87385 2.06044 2.06195 2.89220 2.06444 2.06376 2.06350 2.06990 2.06490 2.06980 2.06827 2.64751 2.64909 2.58223 2.03268 2.03644 2.62753 2.62784 2.03881 2.62740 2.04239 2.62706 2.04239 2.01536 2.05700 2.02954 2.17420 2.26402 2.15976 1.85627 1.84342 1.99983 1.86915 1.87028 1.92905 1.91472 1.87590 2.01957 1.85807 1.94317 1.88572 1.88405 1.86669 1.94122 1.91155 1.88988 1.92946 1.92764 1.86200 1.88584 1.91507 1.90977 1.95262 1.90190 1.89830 2.17977 2.08344 2.01995 1.93692 1.94492 1.94222 1.87766 1.87900 1.88014 2.11931 2.11018 2.05271 1.84050 2.13273 2.30778 1.95244 2.11508 2.21546 2.07739 2.07921 2.12656 2.07529 2.08270 2.12518 1.93171 2.12042 2.23091 2.06935 2.10214 2.11170 2.07030 2.10095 2.11194 2.08004 2.08086 2.12228 2.94956 0.81640 -1.26508 1.56286 -1.62743 -1.41012 0.73597 2.74448 1.51599 -2.62110 -0.61259 1.98034 -0.11492 -2.14335 -0.92627 -3.02153 1.23323 -0.14751 2.98900 2.76243 -0.38424 2.32616 -0.81065 -0.71834 2.42803 -3.07258 0.00618 -0.01509 3.06367 3.09153 -0.07020 0.02772 -3.13401 -0.02787 3.13528 0.01772 -3.10699 -3.12708 1.01815 -1.00597 1.04263 -1.09532 -3.11945 -1.02290 3.12233 1.09821 -1.16626 0.94367 3.04336 0.91389 3.02382 -1.15967 2.92684 -1.24642 0.85327 -3.14134 -1.04915 1.04977 -1.01376 1.07843 -3.10583 1.04291 3.13510 -1.04916 -0.04166 3.09219 -3.13611 -0.00226 0.04065 -3.09438 3.13535 0.00033 -0.00114 3.12223 -3.07091 0.05245 3.13729 -0.00376 0.00345 -3.13760 -3.13466 0.00492 0.00034 3.13992 3.14124 -0.00273 -0.00090 3.13831 3.14010 0.00089 0.00053 -3.13868 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00002 -0.00000 0.00002 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00002 -0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 -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 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00006 -0.00004 -0.00004 -0.00000 0.00002 -0.00003 -0.00006 0.00001 0.00001 -0.00001 0.00003 0.00003 -0.00001 0.00002 0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00002 0.00003 -0.00001 0.00001 0.00002 0.00000 0.00000 0.00001 0.00004 -0.00001 0.00002 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00006 -0.00005 0.00004 0.00002 0.00003 -0.00001 0.00001 -0.00002 -0.00006 0.00001 0.00005 -0.00002 0.00004 -0.00001 0.00016 -0.00002 0.00002 -0.00010 -0.00005 -0.00003 0.00003 -0.00002 0.00002 -0.00001 0.00000 -0.00002 0.00003 0.00001 0.00004 0.00012 -0.00017 -0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00007 0.00006 0.00001 -0.00001 0.00003 -0.00003 -0.00000 0.00000 -0.00000 0.00002 -0.00001 -0.00001 0.00003 0.00000 -0.00003 0.00003 0.00001 -0.00004 0.00003 -0.00003 -0.00000 0.00006 -0.00004 -0.00002 0.00003 0.00002 -0.00005 0.00028 0.00011 0.00011 -0.00005 -0.00009 0.00031 0.00026 0.00027 0.00039 0.00033 0.00034 -0.00003 0.00001 0.00005 -0.00011 -0.00007 -0.00004 0.00014 0.00016 0.00021 0.00024 0.00005 0.00002 -0.00030 -0.00033 -0.00030 -0.00039 0.00000 -0.00009 0.00029 0.00027 0.00001 -0.00001 -0.00002 0.00000 0.00002 0.00003 -0.00004 -0.00003 -0.00000 0.00001 0.00002 0.00005 0.00001 0.00003 0.00005 -0.00020 -0.00009 -0.00016 -0.00020 -0.00009 -0.00016 -0.00030 -0.00020 -0.00027 -0.00010 -0.00009 -0.00009 -0.00012 -0.00011 -0.00011 -0.00015 -0.00014 -0.00014 0.00005 0.00002 0.00009 0.00006 0.00004 -0.00002 -0.00001 -0.00006 -0.00001 -0.00002 0.00008 0.00007 -0.00005 -0.00005 -0.00002 -0.00003 -0.00003 0.00000 0.00002 0.00006 -0.00004 -0.00002 -0.00004 -0.00002 0.00004 0.00002 0.00001 -0.00002 0.00003 0.00005 0.00002 -0.00001 0.00001 -0.00003 0.00001 0.00004 -0.00000 0.00002 -0.00002 -0.00003 -0.00002 -0.00001 -0.00003 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00003 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00002 0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00004 0.00000 -0.00003 0.00001 0.00003 -0.00003 0.00001 0.00000 0.00003 -0.00001 -0.00004 0.00004 -0.00006 0.00004 -0.00014 0.00002 0.00002 0.00007 0.00003 0.00002 -0.00003 0.00005 -0.00003 0.00001 0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00013 0.00011 0.00000 -0.00003 -0.00002 0.00005 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00008 -0.00007 -0.00001 -0.00000 -0.00003 0.00002 0.00000 -0.00000 0.00000 -0.00002 0.00001 0.00001 -0.00001 -0.00002 0.00003 -0.00000 -0.00001 0.00002 -0.00002 0.00002 -0.00000 -0.00005 0.00003 0.00002 -0.00003 -0.00002 0.00005 -0.00006 0.00009 0.00007 -0.00015 -0.00013 0.00008 0.00014 0.00016 -0.00002 0.00005 0.00007 0.00002 0.00000 -0.00004 0.00013 0.00011 0.00007 -0.00018 -0.00015 -0.00028 -0.00025 0.00012 0.00009 -0.00014 -0.00017 -0.00001 -0.00014 0.00021 0.00008 -0.00002 0.00015 -0.00023 -0.00006 0.00014 -0.00004 0.00000 -0.00005 -0.00003 -0.00006 -0.00006 -0.00007 -0.00010 -0.00010 -0.00011 -0.00014 -0.00014 0.00009 0.00002 0.00002 0.00008 0.00001 0.00001 0.00015 0.00008 0.00008 0.00009 0.00007 0.00007 0.00015 0.00013 0.00013 0.00014 0.00013 0.00013 0.00001 -0.00003 -0.00000 -0.00004 -0.00000 0.00003 0.00001 0.00004 -0.00014 -0.00008 0.00001 0.00007 -0.00002 0.00001 0.00002 0.00005 0.00001 -0.00003 -0.00002 -0.00006 0.00006 0.00001 0.00003 -0.00002 -0.00006 -0.00001 -0.00002 0.00003 0.00001 -0.00000 -0.00002 -0.00004 0.00001 -0.00000 -0.00002 -0.00003 0.00001 0.00002 -0.00003 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00002 -0.00004 0.00000 0.00003 0.00006 -0.00004 0.00002 -0.00002 -0.00004 0.00000 0.00001 0.00002 -0.00001 0.00003 0.00002 -0.00000 0.00004 -0.00002 -0.00002 -0.00001 0.00000 0.00003 -0.00001 -0.00000 0.00001 -0.00004 0.00002 0.00002 0.00005 -0.00001 -0.00006 -0.00002 -0.00001 -0.00003 0.00004 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00002 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00002 -0.00001 0.00002 0.00000 -0.00002 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00021 0.00020 0.00018 -0.00020 -0.00022 0.00039 0.00040 0.00043 0.00038 0.00038 0.00041 -0.00001 0.00002 0.00001 0.00001 0.00004 0.00003 -0.00005 0.00001 -0.00007 -0.00002 0.00017 0.00011 -0.00044 -0.00049 -0.00031 -0.00053 0.00022 -0.00001 0.00027 0.00042 -0.00022 -0.00007 0.00012 -0.00004 0.00002 -0.00002 -0.00007 -0.00009 -0.00006 -0.00006 -0.00008 -0.00005 -0.00010 -0.00012 -0.00009 -0.00010 -0.00007 -0.00014 -0.00012 -0.00008 -0.00015 -0.00015 -0.00012 -0.00019 -0.00001 -0.00002 -0.00002 0.00003 0.00002 0.00002 -0.00001 -0.00001 -0.00001 0.00006 -0.00001 0.00008 0.00002 0.00003 0.00001 0.00001 -0.00002 -0.00015 -0.00011 0.00010 0.00014 -0.00007 -0.00004 -0.00001 0.00002 -0.00002 -0.00003 0.00000 -0.00000 0.00002 -0.00001 -0.00001 -0.00003 -0.00002 0.00001 -0.00001 0.00002 3.30762 3.30217 3.31255 2.72443 2.57164 2.29460 2.78787 2.78129 2.57478 2.71808 2.62770 2.60462 2.47113 2.61092 2.89173 2.06872 2.06147 2.87386 2.06045 2.06194 2.89219 2.06444 2.06377 2.06350 2.06990 2.06490 2.06979 2.06827 2.64752 2.64908 2.58224 2.03269 2.03644 2.62752 2.62786 2.03880 2.62741 2.04239 2.62704 2.04239 2.01539 2.05696 2.02955 2.17423 2.26408 2.15972 1.85628 1.84340 1.99979 1.86915 1.87029 1.92907 1.91470 1.87592 2.01959 1.85806 1.94322 1.88569 1.88403 1.86668 1.94122 1.91158 1.88988 1.92946 1.92765 1.86196 1.88586 1.91509 1.90982 1.95261 1.90184 1.89828 2.17976 2.08341 2.02000 1.93691 1.94492 1.94221 1.87767 1.87901 1.88014 2.11933 2.11017 2.05271 1.84048 2.13274 2.30778 1.95244 2.11508 2.21547 2.07739 2.07921 2.12656 2.07531 2.08268 2.12517 1.93173 2.12042 2.23089 2.06935 2.10213 2.11170 2.07030 2.10094 2.11194 2.08004 2.08087 2.12227 2.94977 0.81660 -1.26490 1.56266 -1.62765 -1.40973 0.73637 2.74491 1.51637 -2.62072 -0.61217 1.98033 -0.11490 -2.14334 -0.92626 -3.02149 1.23326 -0.14756 2.98901 2.76236 -0.38426 2.32633 -0.81054 -0.71878 2.42754 -3.07289 0.00565 -0.01487 3.06367 3.09180 -0.06978 0.02750 -3.13408 -0.02775 3.13524 0.01774 -3.10701 -3.12715 1.01806 -1.00603 1.04257 -1.09540 -3.11949 -1.02300 3.12221 1.09812 -1.16636 0.94360 3.04322 0.91377 3.02374 -1.15983 2.92668 -1.24654 0.85308 -3.14135 -1.04916 1.04976 -1.01373 1.07845 -3.10581 1.04290 3.13509 -1.04917 -0.04161 3.09218 -3.13603 -0.00224 0.04068 -3.09437 3.13536 0.00031 -0.00129 3.12212 -3.07082 0.05260 3.13722 -0.00380 0.00344 -3.13758 -3.13468 0.00489 0.00034 3.13992 3.14126 -0.00274 -0.00091 3.13828 3.14008 0.00089 0.00052 -3.13867 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000022 0.000005 0.000885 0.000244 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.087572e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 2 3 4 4 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 14 14 14 15 15 16 16 17 18 19 20 21 21 22 22 18 19 23 12 15 13 9 10 13 13 16 17 17 20 11 24 25 12 26 27 14 28 29 30 31 32 33 34 18 19 20 35 36 21 22 37 23 38 23 39 1.7503 1.7474 1.7529 1.4417 1.3608 1.2143 1.4753 1.4718 1.3625 1.4383 1.3905 1.3783 1.3077 1.3816 1.5302 1.0947 1.0909 1.5208 1.0903 1.0911 1.5305 1.0925 1.0921 1.092 1.0953 1.0927 1.0953 1.0945 1.401 1.4018 1.3665 1.0756 1.0776 1.3904 1.3906 1.0789 1.3904 1.0808 1.3902 1.0808 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 12 9 9 10 13 13 16 17 6 6 6 11 11 24 6 6 6 12 12 26 9 9 9 14 14 28 4 4 4 10 10 30 5 5 6 11 11 11 32 32 33 4 4 18 7 7 20 7 7 8 1 1 15 2 2 15 8 8 16 18 18 23 19 19 23 3 3 21 4 6 6 6 7 7 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 15 10 13 13 16 17 17 20 11 24 25 24 25 25 12 26 27 26 27 27 14 28 29 28 29 29 10 30 31 30 31 31 6 7 7 32 33 34 33 34 34 18 19 19 20 35 35 8 36 36 15 21 21 15 22 22 16 37 37 23 38 38 23 39 39 21 22 22 115.4717 117.8576 116.2844 124.5723 129.7187 123.7451 106.3563 105.6201 114.5816 107.0945 107.1593 110.5262 109.7053 107.4809 115.713 106.4595 111.3357 108.0437 107.9482 106.9534 111.2235 109.5235 108.2824 110.5499 110.4455 106.6848 108.0507 109.7254 109.422 111.8772 108.9707 108.7644 124.8919 119.3726 115.7349 110.9773 111.4356 111.2809 107.5822 107.6586 107.7242 121.4276 120.9045 117.6117 105.4528 122.1966 132.226 111.8668 121.1849 126.9368 119.0256 119.1301 121.8429 118.9054 119.33 121.7636 110.6789 121.4912 127.8216 118.5649 120.4435 120.9916 118.6192 120.3756 121.0051 119.1777 119.2248 121.5974 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 15 15 15 12 12 10 10 10 13 13 13 9 9 9 13 13 13 9 9 10 10 16 16 17 17 13 13 17 17 13 13 16 16 20 20 17 17 6 6 6 24 24 24 25 25 25 6 6 6 26 26 26 27 27 27 9 9 9 28 28 28 29 29 29 4 4 19 19 4 4 18 18 7 7 35 35 1 1 15 15 2 2 15 15 18 18 38 38 19 19 39 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 21 21 21 21 22 22 22 12 12 12 15 15 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 13 13 13 13 16 16 16 16 17 17 17 17 17 17 20 20 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 10 30 31 18 19 11 24 25 11 24 25 12 26 27 12 26 27 5 7 5 7 5 6 5 6 20 35 20 35 8 36 8 36 7 36 16 37 14 28 29 14 28 29 14 28 29 4 30 31 4 30 31 4 30 31 32 33 34 32 33 34 32 33 34 1 21 1 21 2 22 2 22 8 37 8 37 23 38 23 38 23 39 23 39 3 22 3 22 3 21 3 168.9972 46.776 -72.4838 89.5451 -93.2447 -80.794 42.1681 157.2474 86.8599 -150.178 -35.0988 113.4651 -6.5842 -122.8047 -53.0715 -173.1208 70.6587 -8.452 171.257 158.2757 -22.0153 133.2793 -46.4468 -41.1581 139.1159 -176.0458 0.3541 -0.8645 175.5355 177.1315 -4.0222 1.5882 -179.5655 -1.5968 179.6381 1.015 -178.0176 -179.1687 58.3357 -57.6381 59.7383 -62.7573 -178.7311 -58.608 178.8964 62.9226 -66.8218 54.0683 174.3717 52.362 173.2521 -66.4445 167.6954 -71.4145 48.8889 -179.9853 -60.1117 60.1477 -58.0842 61.7895 -177.9512 59.7546 179.6283 -60.1124 -2.3872 177.1692 -179.6859 -0.1295 2.329 -177.2949 179.6425 0.0187 -0.0653 178.8905 -175.9504 3.0053 179.7533 -0.2155 0.1974 -179.7714 -179.6028 0.282 0.0195 179.9043 179.9799 -0.1566 -0.0515 179.812 179.9142 0.0508 0.0301 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0512192468 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.357131 0.000000 5.366863 5.368176 0.000000 2.942945 2.925762 5.849603 0.000000 7.209998 3.426212 8.725173 4.287684 0.000000 5.628780 3.902024 8.498811 2.975936 2.272604 0.000000 6.579143 3.898692 8.448904 4.044804 2.271890 2.347672 0.000000 7.538746 4.827837 8.518144 5.449017 4.086689 4.507306 2.206500 0.000000 6.128080 4.482270 9.121509 3.572108 2.732355 1.459691 3.672291 5.867835 0.000000 4.533651 4.272462 8.050553 2.388313 3.577767 1.456090 2.837949 4.646952 2.498665 0.000000 5.728634 3.999571 8.352311 3.264145 3.322478 2.525319 4.589319 6.667891 1.522574 3.284235 0.000000 3.455374 3.520434 6.618215 1.421970 4.092800 2.523204 3.156046 4.464768 3.585276 1.515970 3.868350 0.000000 6.402719 3.476526 8.460473 3.590474 1.204601 1.355605 1.421768 3.558949 2.397525 2.484994 3.269765 3.098337 0.000000 6.840024 5.278015 9.460919 4.667695 4.388596 3.841436 5.934678 8.056191 2.505539 4.638758 1.522262 5.338666 4.550707 0.000000 2.684379 2.680924 4.505127 1.344854 5.060440 4.165424 4.779069 5.768759 4.790941 3.630027 4.278573 2.344863 4.504426 5.611924 0.000000 6.926107 5.144006 9.267213 4.762200 3.479233 3.008519 1.378432 2.242629 4.357664 3.078471 5.498479 3.568943 2.528297 6.803056 5.565547 0.000000 7.017209 3.726497 8.010441 4.597279 2.878082 3.555601 1.366154 1.295908 4.827406 3.955810 5.510598 3.824704 2.464038 6.880034 4.983190 2.197419 0.000000 1.720574 3.965191 3.969371 2.386898 6.427862 5.334818 5.959797 6.759003 5.928576 4.540495 5.381536 3.193424 5.796221 6.608253 1.392449 6.572789 6.136695 0.000000 3.968668 1.718589 3.969672 2.380431 4.838884 4.599113 4.798414 5.546059 5.234286 4.428239 4.636492 3.226814 4.554150 5.939086 1.393027 5.799497 4.682174 2.385526 0.000000 7.492227 5.575700 9.281290 5.537469 4.353961 4.243827 2.176289 1.367215 5.631090 4.207630 6.662513 4.327017 3.570895 8.017952 6.093080 1.359129 2.122548 7.013915 6.168314 0.000000 2.688170 4.488896 2.687568 3.655380 7.393159 6.563405 6.945377 7.455665 7.169888 5.848408 6.519645 4.436566 6.866513 7.695713 2.425066 7.607044 6.897266 1.384604 2.770486 7.878453 0.000000 4.490819 2.688685 2.688035 3.651024 6.045006 5.973389 5.965831 6.362189 6.600390 5.760444 5.912295 4.460662 5.842777 7.122626 2.425298 6.941195 5.625310 2.770372 1.384534 7.126239 2.413827 0.000000 3.969133 3.968665 1.722731 4.126942 7.211815 6.815205 6.929125 7.260880 7.441253 6.345729 6.730523 4.935068 6.867705 7.908572 2.782399 7.750682 6.656873 2.383328 2.383266 7.910765 1.384818 1.384662 0.000000 6.178431 5.420626 9.744740 3.997175 3.729297 2.065990 4.328520 6.505530 1.093872 2.617166 2.156369 3.904103 3.232057 2.764600 5.303730 4.730975 5.589968 6.280424 5.963048 6.064908 7.596186 7.332820 8.038329 0.000000 7.189638 4.925647 9.880966 4.531829 2.459740 2.072516 3.822906 5.996691 1.090287 3.364557 2.148068 4.483977 2.501489 2.693935 5.680862 4.533747 4.938273 6.892077 5.942589 5.788833 8.084372 7.281909 8.236998 1.747757 0.000000 4.307031 4.894639 8.376555 2.579557 4.296615 2.054134 3.885684 5.734746 2.468456 1.090416 3.094516 2.127396 3.328631 4.256523 3.895153 4.072808 5.030770 4.629742 4.884975 5.239112 6.002350 6.203553 6.659051 2.206207 3.466417 0.000000 5.068831 5.093733 8.712089 3.306529 4.089950 2.122123 2.828311 4.392589 3.248998 1.091109 4.271479 2.115879 2.905999 5.550599 4.438352 2.553078 3.978686 5.224368 5.236683 3.663561 6.502833 6.512553 7.043189 3.192386 3.948431 1.738976 0.000000 4.734750 3.981803 7.721222 2.580051 4.039898 2.813561 4.894246 6.874516 2.157023 3.069504 1.091206 3.399943 3.747119 2.153839 3.589696 5.718035 5.787086 4.528180 4.196027 6.841468 5.707058 5.444292 6.079749 2.489884 3.053363 2.687187 4.118442 0.000000 5.918652 3.153008 7.795102 3.247197 2.838027 2.749203 4.358418 6.290031 2.144952 3.651500 1.090855 3.950340 3.053696 2.156198 4.019248 5.470776 5.054194 5.249524 4.050810 6.502966 6.246719 5.267123 6.238493 3.052009 2.516955 3.740070 4.657445 1.750126 0.000000 4.127140 3.125429 6.395672 2.077683 3.825899 2.807902 2.564144 3.506253 4.075178 2.171592 4.422999 1.093140 2.880347 5.940868 2.563101 3.074691 2.920657 3.514505 3.020844 3.577496 4.543582 4.168470 4.792876 4.573994 4.804585 3.053133 2.526927 4.132849 4.271308 0.000000 2.932986 4.439225 6.688773 2.074728 5.140491 3.425812 3.947881 4.965987 4.441506 2.126048 4.747960 1.095008 4.084255 6.149074 2.727122 4.049177 4.565244 3.099179 3.815789 4.676792 4.331115 4.875400 5.067047 4.554245 5.384735 2.459765 2.345666 4.137927 4.943330 1.763585 0.000000 6.887440 5.389634 9.167008 4.934059 5.090716 4.674852 6.689200 8.730546 3.460628 5.368197 2.167636 5.837631 5.322919 1.089284 5.678984 7.643452 7.518136 6.581478 5.929619 8.802312 7.546312 6.978509 7.710892 3.759083 3.708598 4.963460 6.352874 2.488887 2.504350 6.441996 6.624494 0.000000 6.955356 6.135975 10.114316 5.065812 5.097934 4.164817 6.416350 8.590617 2.770825 4.773888 2.177409 5.630482 5.086119 1.092171 6.117068 7.108930 7.488239 6.990248 6.642463 8.391095 8.155087 7.855683 8.527140 2.581103 3.033431 4.181672 5.589440 2.528759 3.074863 6.363297 6.308779 1.757520 0.000000 7.802812 5.616370 10.149450 5.428966 4.209761 4.129557 6.022047 8.132221 2.773638 5.174846 2.172534 5.978620 4.603156 1.091395 6.366243 6.921148 6.937049 7.465535 6.534771 8.124546 8.525792 7.714093 8.622003 3.146569 2.509914 4.934318 6.008978 3.069294 2.513026 6.452099 6.865227 1.758320 1.761717 0.000000 7.038482 5.820433 9.942713 4.999382 3.878618 2.946357 2.160605 3.297243 4.144895 2.913560 5.453223 3.773088 2.866031 6.649887 5.978669 1.075887 3.225924 6.926646 6.404543 2.224560 8.071510 7.622371 8.361365 4.281203 4.325730 3.726131 2.160229 5.666436 5.630768 3.574909 4.142873 7.568324 6.796800 6.781303 0.000000 7.143549 3.074897 7.502263 4.635241 2.786728 3.922581 2.140626 2.119676 5.027056 4.470077 5.449162 4.171420 2.748139 6.779384 4.829876 3.226360 1.078146 6.043553 4.244723 3.174757 6.670003 5.075255 6.234754 5.924175 5.101264 5.493290 4.714157 5.760518 4.800419 3.260538 5.011892 7.298670 7.515748 6.802515 4.209175 0.000000 8.090641 6.588785 9.965306 6.395626 5.397283 5.167060 3.230917 2.139926 6.544251 4.983760 7.637431 5.104157 4.597758 8.979667 6.926745 2.191055 3.146532 7.729553 7.066267 1.078315 8.563415 7.961954 8.651986 6.873222 6.704770 5.954841 4.274560 7.777271 7.536154 4.399604 5.272767 9.790299 9.287603 9.095469 2.733978 4.160681 0.000000 2.835703 5.569172 2.841851 4.528092 8.425316 7.467269 7.887805 8.332542 8.055633 6.635183 7.404332 5.238204 7.847792 8.525323 3.401160 8.453408 7.857049 2.143904 3.850799 8.694271 1.080320 3.394211 2.149465 8.393574 9.010836 6.700363 7.225813 6.521623 7.209291 5.411515 4.953243 8.340356 8.907430 9.407427 8.870940 7.679553 9.306470 0.000000 5.571171 2.838225 2.842634 4.521914 6.228370 6.528066 6.303907 6.524826 7.138662 6.496897 6.435212 5.274255 6.202104 7.589370 3.401518 7.364782 5.781285 3.850745 2.143827 7.451503 3.394260 1.080378 2.149322 7.966694 7.699754 7.018480 7.241123 6.109796 5.651205 4.844981 5.782392 7.410530 8.416193 8.067447 8.133999 5.068199 8.302835 4.289323 0.000000 C15H16Cl3N3O2 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 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2766914 0.1315156 0.1180157 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.431562 0.000000 5.420589 5.421700 0.000000 2.983288 2.968096 5.907450 0.000000 7.327371 3.445365 8.797129 4.371934 0.000000 5.710311 3.876577 8.543128 2.999699 2.285522 0.000000 6.604277 3.881898 8.454181 4.063105 2.292704 2.372153 0.000000 7.456172 4.773615 8.403193 5.412098 4.127998 4.539227 2.225371 0.000000 6.219186 4.406333 9.128282 3.574876 2.735258 1.475286 3.713181 5.914495 0.000000 4.597000 4.281412 8.118270 2.397937 3.615037 1.471810 2.863726 4.667730 2.524268 0.000000 5.811537 3.842547 8.287791 3.233910 3.313940 2.529097 4.577311 6.627541 1.530241 3.299695 0.000000 3.504420 3.552229 6.692256 1.441727 4.139713 2.534012 3.144276 4.411324 3.599983 1.520777 3.857898 0.000000 6.484407 3.471805 8.509521 3.640563 1.214254 1.362509 1.438335 3.591813 2.411046 2.509685 3.258053 3.118749 0.000000 6.871121 5.116131 9.336053 4.603200 4.423457 3.865490 5.968275 8.066072 2.525801 4.650322 1.530485 5.317290 4.578821 0.000000 2.721394 2.717863 4.547497 1.360846 5.130608 4.184530 4.772813 5.680147 4.787511 3.650844 4.226006 2.370239 4.539918 5.522031 0.000000 6.916298 5.130494 9.251325 4.763817 3.515179 3.059274 1.390537 2.260432 4.446847 3.107268 5.533405 3.534375 2.560966 6.890133 5.540396 0.000000 6.989465 3.675383 7.948438 4.584052 2.905960 3.572432 1.378307 1.307659 4.847515 3.976078 5.451814 3.794424 2.484161 6.867171 4.928808 2.216479 0.000000 1.750310 4.008127 4.004828 2.408927 6.507927 5.375533 5.958353 6.653921 5.955249 4.581746 5.368536 3.232683 5.843712 6.544850 1.401000 6.546320 6.078627 0.000000 4.012155 1.747434 4.005693 2.403466 4.889786 4.599383 4.786972 5.459235 5.194486 4.446627 4.522152 3.257737 4.574449 5.794043 1.401836 5.776918 4.621666 2.397594 0.000000 7.417354 5.541616 9.198956 5.506739 4.397958 4.288902 2.193934 1.381647 5.709691 4.228908 6.668164 4.268165 3.607620 8.078849 6.020975 1.366459 2.142865 6.927170 6.104754 0.000000 2.714090 4.532379 2.717028 3.684099 7.466655 6.601052 6.938499 7.332826 7.186843 5.894420 6.486520 4.482654 6.909406 7.607642 2.439586 7.574512 6.827319 1.390429 2.784968 7.779563 0.000000 4.534118 2.714381 2.717523 3.680224 6.089019 5.977687 5.948744 6.252870 6.562512 5.788207 5.797228 4.500144 5.860614 6.965043 2.439523 6.910660 5.551030 2.783827 1.390595 7.046190 2.427162 0.000000 4.001869 4.001302 1.752934 4.154646 7.266458 6.833721 6.913465 7.135737 7.425830 6.382613 6.648257 4.978586 6.894943 7.773390 2.794565 7.714844 6.578721 2.390631 2.391292 7.814329 1.390358 1.390179 0.000000 6.254405 5.343343 9.745830 3.973377 3.733679 2.079504 4.386446 6.578922 1.094715 2.635165 2.171358 3.911171 3.250737 2.775599 5.284361 4.847328 5.630846 6.293801 5.913538 6.174196 7.603057 7.287726 8.014718 0.000000 7.278761 4.840350 9.877199 4.539279 2.434068 2.077530 3.863331 6.058251 1.090887 3.384648 2.158102 4.494155 2.501513 2.752561 5.677244 4.631853 4.964635 6.915972 5.899812 5.884460 8.096305 7.236695 8.214510 1.762354 0.000000 4.375675 4.872603 8.425532 2.555825 4.323550 2.065054 3.913904 5.757308 2.487236 1.090339 3.115868 2.128099 3.347209 4.255995 3.893760 4.121412 5.045584 4.659647 4.874360 5.275521 6.036138 6.205244 6.676116 2.217072 3.483327 0.000000 5.130937 5.116493 8.803022 3.323288 4.108472 2.127297 2.859740 4.445514 3.273355 1.091136 4.288596 2.127449 2.918263 5.571795 4.471052 2.588880 4.023316 5.277642 5.273069 3.709133 6.565543 6.561069 7.100986 3.220914 3.965209 1.753065 0.000000 4.785057 3.756964 7.598305 2.461177 3.993434 2.775788 4.813742 6.743336 2.156953 3.040768 1.092454 3.323938 3.684724 2.170173 3.455194 5.682414 5.646246 4.454407 3.997945 6.762725 5.615015 5.256396 5.931833 2.517827 3.057989 2.691353 4.100542 0.000000 6.061414 3.014068 7.781839 3.295522 2.804491 2.751127 4.318876 6.215066 2.140749 3.685979 1.092095 3.977644 3.023359 2.168588 4.035783 5.471190 4.963916 5.301963 3.990079 6.472356 6.275672 5.200957 6.212566 3.056906 2.486175 3.782839 4.680111 1.752483 0.000000 4.162284 3.127230 6.451903 2.081741 3.835182 2.791724 2.526986 3.437753 4.055770 2.177772 4.354250 1.091957 2.868783 5.876148 2.564136 3.026209 2.866165 3.533944 3.028253 3.510061 4.571469 4.186669 4.817818 4.562089 4.778815 3.052877 2.561072 3.991829 4.221767 0.000000 2.965498 4.471823 6.765368 2.080526 5.186094 3.448589 3.933982 4.896465 4.476241 2.143730 4.760790 1.095343 4.106267 6.144611 2.744161 4.004223 4.528792 3.133262 3.843904 4.598046 4.375873 4.915094 5.111543 4.588034 5.413046 2.488735 2.373671 4.098704 4.987923 1.778101 0.000000 6.908848 5.185135 8.983584 4.854575 5.110547 4.691072 6.691100 8.686974 3.480693 5.375278 2.175726 5.803324 5.332978 1.092700 5.559191 7.697344 7.458376 6.489199 5.738392 8.818137 7.419430 6.765463 7.524509 3.779252 3.757855 4.967704 6.369273 2.509490 2.518104 6.351932 6.607521 0.000000 6.925586 5.962764 9.950427 4.948885 5.137863 4.181682 6.458748 8.615759 2.792606 4.761089 2.183411 5.575823 5.116499 1.095289 5.981118 7.210884 7.487294 6.874626 6.465813 8.469086 8.017792 7.666760 8.351291 2.594138 3.115706 4.150139 5.595636 2.540778 3.085384 6.280571 6.270386 1.765421 0.000000 7.859424 5.507963 10.073308 5.408028 4.274809 4.170774 6.098655 8.205515 2.790214 5.203695 2.180867 5.988724 4.662657 1.094480 6.324820 7.050032 6.982016 7.443402 6.446125 8.240769 8.481837 7.611406 8.537252 3.138580 2.568306 4.938685 6.042779 3.084356 2.525783 6.426408 6.886663 1.765628 1.768458 0.000000 7.050164 5.811830 9.948815 5.008867 3.904021 3.002515 2.164380 3.316877 4.257764 2.942262 5.526172 3.743961 2.889463 6.777486 5.969241 1.075650 3.241755 6.921480 6.394768 2.236035 8.061949 7.607775 8.345777 4.429094 4.446118 3.790146 2.179275 5.681848 5.663910 3.535212 4.106550 7.670331 6.944384 6.938667 0.000000 7.124481 3.012354 7.445114 4.622489 2.798409 3.914190 2.144581 2.136568 5.003311 4.478551 5.341250 4.149564 2.749988 6.710184 4.778872 3.241817 1.077636 5.990780 4.183329 3.197010 6.606379 5.001450 6.161018 5.917389 5.078903 5.485733 4.747632 5.573877 4.663415 3.217963 4.986619 7.179698 7.456781 6.793578 4.218916 0.000000 7.985537 6.550898 9.855630 6.353748 5.442898 5.218057 3.249563 2.151809 6.636446 5.005758 7.654354 5.037435 4.636692 9.055621 6.839322 2.199831 3.166369 7.620009 6.990749 1.078890 8.438109 7.865546 8.532739 7.002282 6.818067 5.997709 4.323797 7.708458 7.512927 4.332555 5.180058 9.818668 9.384843 9.228077 2.751841 4.184074 0.000000 2.853282 5.613150 2.865832 4.556606 8.501579 7.512309 7.881005 8.201516 8.085474 6.686927 7.390352 5.285994 7.893957 8.452748 3.416134 8.418127 7.784552 2.150406 3.865747 8.586816 1.080784 3.407563 2.156081 8.415076 9.035016 6.745897 7.294285 6.458438 7.255783 5.442923 5.001331 8.232347 8.783052 9.374167 8.861116 7.614392 9.168364 0.000000 5.614897 2.854921 2.866979 4.550879 6.258349 6.521546 6.284378 6.422567 7.081957 6.520100 6.293283 5.312008 6.210284 7.405869 3.415934 7.335674 5.708567 3.864607 2.149840 7.379175 3.407682 1.080784 2.156060 7.904819 7.632966 7.012402 7.286838 5.899044 5.547912 4.862899 5.821665 7.164241 8.208548 7.939798 8.117689 4.994871 8.216044 4.302885 0.000000 C15H16Cl3N3O2 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 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2724295 0.1311977 0.1189249 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= 641 641 641 641 641 MxSgAt= 39 MxSgA2= 39. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2458.7851356454 39 39 39 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 -0.0526503298 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2408.7282477659 39 39 39 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 -0.0489781205 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2448.7453557952 39 39 39 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 -0.0516270593 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2436.1403741170 39 39 39 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 -0.0508008125 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2446.8465030572 39 39 39 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 -0.0515634154 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2449.9942041454 39 39 39 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 -0.0518503691 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2447.4403233395 39 39 39 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 -0.0516798583 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2450.7708347538 39 39 39 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 -0.0519350068 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2449.4378636772 39 39 39 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 -0.0518506737 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2449.0598227862 39 39 39 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 -0.0518083098 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2449.1438196066 39 39 39 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 -0.0518087943 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2449.1976692825 39 39 39 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 -0.0518104849 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= 626 RedAO= T EigKep= 1.16D-06 NBF= 626 NBsUse= 624 1.00D-06 EigRej= 9.00D-07 NBFU= 624 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= 641 641 641 641 641 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -2276.26638959470 -2276.43352796031 -0.167138365612 -2276.79019435227 -0.356666391959 -2276.84448353425 -0.054289181977 -2276.87829099065 -0.033807456402 -2276.87917760320 -0.000886612553 -2276.87928383269 -0.000106229490 -2276.87929393749 -0.000010104799 -2276.87929536133 -0.000001423832 -2276.87929556287 -0.000000201544 -2276.87929556955 -0.000000006685 -2276.87929557098 -0.000000001430 -2276.87929557098 0.000000000001 -2276.87929557113 -0.000000000146 -2276.87929557103 0.000000000096 -2276.87929557113 -0.000000000101 -2276.87929557123 -0.000000000092 -2276.87929557 17 2.270625038096e+03 -1.028700426708e+04 3.280160985284e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245867807 LenY= 4245445957 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. -1.79422696e-01 1.30919482e+00 1.34262035e+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 17 17 17 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.000716141 -0.007417210 0.012809182 -0.012219665 0.004698697 -0.006427297 0.012759498 0.002994711 -0.006391547 -0.009910250 -0.009126652 -0.000121080 -0.006899837 -0.000634317 -0.015666840 -0.000837862 -0.000435341 0.001169006 -0.000304252 -0.003301562 -0.000166511 0.006006543 0.014052901 -0.001193154 -0.005153122 -0.005100838 0.000104614 0.002280202 -0.002748656 0.008632058 0.003155415 -0.000568737 -0.001792260 -0.001927707 0.007185471 0.007560110 0.001469936 -0.001502164 0.005507216 -0.001361679 -0.002657556 -0.001492816 0.005420325 0.003038523 -0.001410765 -0.004987965 -0.002711421 0.010233938 0.004956283 -0.001578887 -0.015616346 0.002016229 0.001657325 -0.005113978 0.004882767 -0.001701123 -0.000418888 -0.001559211 0.005791643 0.011749815 0.004535756 -0.001212327 0.002482532 0.000414944 0.003146180 -0.004180062 -0.005822099 -0.001629961 0.002756015 0.000133752 -0.000659979 0.001143410 0.000051022 0.001794387 -0.001190396 0.000863868 -0.000747217 -0.001048349 -0.000549372 0.001176691 -0.000097837 0.001675565 0.001071419 0.001239317 0.000064418 0.001772067 -0.000183771 -0.000382662 -0.000314387 -0.002186894 0.001565423 -0.001141551 0.000335363 0.001358497 -0.001276710 -0.001497462 -0.000520377 -0.001035923 0.001897472 -0.001742180 0.000767871 -0.000969728 0.000183024 -0.000572184 -0.000773705 -0.000510238 -0.001416993 0.000026065 -0.000141333 0.000444355 0.000547422 0.000429804 -0.000240285 0.000205931 -0.000109599 0.000139736 -0.000459780 0.015666840 0.004631542 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2276.88327007745 -2276.88327753655 -0.000007459105 -2276.88327754425 -0.000000007700 -2276.88327761736 -0.000000073106 -2276.88327762431 -0.000000006958 -2276.88327762527 -0.000000000956 -2276.88327762522 0.000000000046 -2276.88327762543 -0.000000000207 -2276.88327762561 -0.000000000184 -2276.88327762564 -0.000000000025 -2276.88327762552 0.000000000116 -2276.88327763 11 2.269958041237e+03 -1.026612488122e+04 3.270137703563e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245867807 LenY= 4245445957 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) PT126989.400S Thu Dec 9 20:09:00 2021 -1.67764031e-01 1.26340024e+00 1.38671458e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -2276.8832776 1.208E-9 8.281E-6 0.4993371,-9.1794078,8.6800708,5.6136315,-8.1612358,0.5627765 C01 [X(C15H16Cl3N3O2)] 0.1778269 -1.3608845 1.2898346 0.000000323 -0.000005104 0.000003635 -0.000003191 0.000007339 -0.000003062 0.000000406 -0.000000987 0.000001195 -0.000028787 0.000013274 -0.000001749 0.000016667 -0.000001105 0.000007026 0.000008449 -0.000009912 -0.000005321 -0.000031545 0.000032260 0.000003047 -0.000000547 0.000001850 0.000002747 -0.000002859 -0.000000334 0.000001317 -0.000003668 -0.000000900 0.000002179 -0.000002369 0.000005432 0.000007400 0.000018989 -0.000023471 -0.000009442 -0.000019838 -0.000004693 -0.000003676 -0.000003186 -0.000002154 -0.000000221 0.000014920 -0.000008316 0.000011648 0.000021962 -0.000012694 0.000000896 0.000014151 -0.000011089 0.000007214 0.000006459 0.000010625 -0.000006813 -0.000006916 -0.000009665 0.000004489 -0.000002436 0.000003502 -0.000009968 -0.000000218 -0.000005406 0.000010015 0.000012341 0.000004146 -0.000006706 -0.000007481 0.000005611 -0.000006839 -0.000000268 0.000003131 0.000001517 0.000003890 0.000000909 -0.000005377 -0.000001534 -0.000001658 -0.000001713 0.000005044 -0.000004191 0.000001979 0.000006866 0.000000772 -0.000003551 0.000001231 0.000001895 0.000000247 -0.000005685 0.000002927 0.000002556 -0.000004029 0.000005382 -0.000000306 0.000000631 0.000000766 0.000000855 -0.000000473 0.000000694 -0.000001497 0.000001494 0.000001032 0.000000205 -0.000007009 0.000001226 -0.000001592 -0.000001719 0.000000420 -0.000002879 0.000000173 -0.000000743 0.000000559 -0.000000592 0.000000213 -0.000001252 0.000000353 -0.000000983 0.000001240 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-DEPAZ17 PAULAPLA Optimization prochloraz CONF643 gas EM64L-G16RevC.01 111 C1[X(C15H16Cl3N3O2)] 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 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization prochloraz CONF643 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 35 35 35 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 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 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 3 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 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 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/prochloraz/gas/CONF643/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 1 2 3 4 4 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 14 14 14 15 15 16 16 17 18 19 20 21 21 22 22 18 19 23 12 15 13 9 10 13 13 16 17 17 20 11 24 25 12 26 27 14 28 29 30 31 32 33 34 18 19 20 35 36 21 22 37 23 38 23 39 1.7503 1.7474 1.7529 1.4417 1.3608 1.2143 1.4753 1.4718 1.3625 1.4383 1.3905 1.3783 1.3077 1.3816 1.5302 1.0947 1.0909 1.5208 1.0903 1.0911 1.5305 1.0925 1.0921 1.092 1.0953 1.0927 1.0953 1.0945 1.401 1.4018 1.3665 1.0756 1.0776 1.3904 1.3906 1.0789 1.3904 1.0808 1.3902 1.0808 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 12 9 9 10 13 13 16 17 6 6 6 11 11 24 6 6 6 12 12 26 9 9 9 14 14 28 4 4 4 10 10 30 5 5 6 11 11 11 32 32 33 4 4 18 7 7 20 7 7 8 1 1 15 2 2 15 8 8 16 18 18 23 19 19 23 3 3 21 4 6 6 6 7 7 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 15 10 13 13 16 17 17 20 11 24 25 24 25 25 12 26 27 26 27 27 14 28 29 28 29 29 10 30 31 30 31 31 6 7 7 32 33 34 33 34 34 18 19 19 20 35 35 8 36 36 15 21 21 15 22 22 16 37 37 23 38 38 23 39 39 21 22 22 115.4717 117.8576 116.2844 124.5723 129.7187 123.7451 106.3563 105.6201 114.5816 107.0945 107.1593 110.5262 109.7053 107.4809 115.713 106.4595 111.3357 108.0437 107.9482 106.9534 111.2235 109.5235 108.2824 110.5499 110.4455 106.6848 108.0507 109.7254 109.422 111.8772 108.9707 108.7644 124.8919 119.3726 115.7349 110.9773 111.4356 111.2809 107.5822 107.6586 107.7242 121.4276 120.9045 117.6117 105.4528 122.1966 132.226 111.8668 121.1849 126.9368 119.0256 119.1301 121.8429 118.9054 119.33 121.7636 110.6789 121.4912 127.8216 118.5649 120.4435 120.9916 118.6192 120.3756 121.0051 119.1777 119.2248 121.5974 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 15 15 15 12 12 10 10 10 13 13 13 9 9 9 13 13 13 9 9 10 10 16 16 17 17 13 13 17 17 13 13 16 16 20 20 17 17 6 6 6 24 24 24 25 25 25 6 6 6 26 26 26 27 27 27 9 9 9 28 28 28 29 29 29 4 4 19 19 4 4 18 18 7 7 35 35 1 1 15 15 2 2 15 15 18 18 38 38 19 19 39 39 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 21 21 21 21 22 22 22 22 12 12 12 15 15 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 13 13 13 13 16 16 16 16 17 17 17 17 17 17 20 20 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 10 30 31 18 19 11 24 25 11 24 25 12 26 27 12 26 27 5 7 5 7 5 6 5 6 20 35 20 35 8 36 8 36 7 36 16 37 14 28 29 14 28 29 14 28 29 4 30 31 4 30 31 4 30 31 32 33 34 32 33 34 32 33 34 1 21 1 21 2 22 2 22 8 37 8 37 23 38 23 38 23 39 23 39 3 22 3 22 3 21 3 21 168.9972 46.776 -72.4838 89.5451 -93.2447 -80.794 42.1681 157.2474 86.8599 -150.178 -35.0988 113.4651 -6.5842 -122.8047 -53.0715 -173.1208 70.6587 -8.452 171.257 158.2757 -22.0153 133.2793 -46.4468 -41.1581 139.1159 -176.0458 0.3541 -0.8645 175.5355 177.1315 -4.0222 1.5882 -179.5655 -1.5968 179.6381 1.015 -178.0176 -179.1687 58.3357 -57.6381 59.7383 -62.7573 -178.7311 -58.608 178.8964 62.9226 -66.8218 54.0683 174.3717 52.362 173.2521 -66.4445 167.6954 -71.4145 48.8889 -179.9853 -60.1117 60.1477 -58.0842 61.7895 -177.9512 59.7546 179.6283 -60.1124 -2.3872 177.1692 -179.6859 -0.1295 2.329 -177.2949 179.6425 0.0187 -0.0653 178.8905 -175.9504 3.0053 179.7533 -0.2155 0.1974 -179.7714 -179.6028 0.282 0.0195 179.9043 179.9799 -0.1566 -0.0515 179.812 179.9142 0.0508 0.0301 -179.8333 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00220 0.00277 0.00337 0.00399 0.00455 0.00558 0.00810 0.01060 0.01351 0.01576 0.01686 0.01723 0.01895 0.02046 0.02071 0.02296 0.02336 0.02438 0.02632 0.02835 0.02976 0.03044 0.03586 0.03897 0.04300 0.04395 0.04508 0.04574 0.04618 0.04753 0.05152 0.05225 0.05507 0.05947 0.06401 0.07086 0.08477 0.08703 0.09838 0.09864 0.10336 0.10594 0.10618 0.11312 0.11551 0.11838 0.12127 0.12727 0.13776 0.13959 0.14712 0.15867 0.16056 0.16180 0.16201 0.16846 0.18265 0.18453 0.19894 0.20492 0.21528 0.22173 0.22446 0.22729 0.23394 0.23586 0.23703 0.24298 0.25671 0.25777 0.26278 0.26815 0.27492 0.29370 0.29653 0.30800 0.31659 0.31982 0.32671 0.32737 0.32828 0.33118 0.33164 0.33388 0.33739 0.34107 0.34203 0.34427 0.34532 0.35325 0.36320 0.36503 0.36586 0.36822 0.37438 0.37590 0.37741 0.39375 0.40469 0.42687 0.43155 0.44782 0.45947 0.46296 0.46395 0.47316 0.50689 0.56463 0.57658 0.61089 0.82523 Angle between quadratic step and forces= 72.12 degrees. 1 2 0.00070155 0.00000026 0.00000017 0.00000004 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 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 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 3.30761 3.30217 3.31256 2.72447 2.57163 2.29461 2.78789 2.78132 2.57477 2.71806 2.62773 2.60462 2.47112 2.61093 2.89174 2.06871 2.06148 2.87385 2.06044 2.06195 2.89220 2.06444 2.06376 2.06350 2.06990 2.06490 2.06980 2.06827 2.64751 2.64909 2.58223 2.03268 2.03644 2.62753 2.62784 2.03881 2.62740 2.04239 2.62706 2.04239 2.01536 2.05700 2.02954 2.17420 2.26402 2.15976 1.85627 1.84342 1.99983 1.86915 1.87028 1.92905 1.91472 1.87590 2.01957 1.85807 1.94317 1.88572 1.88405 1.86669 1.94122 1.91155 1.88988 1.92946 1.92764 1.86200 1.88584 1.91507 1.90977 1.95262 1.90190 1.89830 2.17977 2.08344 2.01995 1.93692 1.94492 1.94222 1.87766 1.87900 1.88014 2.11931 2.11018 2.05271 1.84050 2.13273 2.30778 1.95244 2.11508 2.21546 2.07739 2.07921 2.12656 2.07529 2.08270 2.12518 1.93171 2.12042 2.23091 2.06935 2.10214 2.11170 2.07030 2.10095 2.11194 2.08004 2.08086 2.12228 2.94956 0.81640 -1.26508 1.56286 -1.62743 -1.41012 0.73597 2.74448 1.51599 -2.62110 -0.61259 1.98034 -0.11492 -2.14335 -0.92627 -3.02153 1.23323 -0.14751 2.98900 2.76243 -0.38424 2.32616 -0.81065 -0.71834 2.42803 -3.07258 0.00618 -0.01509 3.06367 3.09153 -0.07020 0.02772 -3.13401 -0.02787 3.13528 0.01772 -3.10699 -3.12708 1.01815 -1.00597 1.04263 -1.09532 -3.11945 -1.02290 3.12233 1.09821 -1.16626 0.94367 3.04336 0.91389 3.02382 -1.15967 2.92684 -1.24642 0.85327 -3.14134 -1.04915 1.04977 -1.01376 1.07843 -3.10583 1.04291 3.13510 -1.04916 -0.04166 3.09219 -3.13611 -0.00226 0.04065 -3.09438 3.13535 0.00033 -0.00114 3.12223 -3.07091 0.05245 3.13729 -0.00376 0.00345 -3.13760 -3.13466 0.00492 0.00034 3.13992 3.14124 -0.00273 -0.00090 3.13831 3.14010 0.00089 0.00053 -3.13868 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00002 -0.00000 0.00002 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00002 -0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 -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 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00004 0.00001 0.00000 -0.00009 0.00003 -0.00002 -0.00002 0.00001 0.00003 0.00001 -0.00005 -0.00000 0.00001 -0.00002 -0.00002 0.00001 -0.00002 0.00002 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00002 0.00001 0.00000 -0.00002 0.00003 0.00000 0.00002 -0.00000 -0.00002 -0.00000 0.00004 -0.00012 0.00001 0.00007 0.00016 -0.00009 0.00003 -0.00001 -0.00003 -0.00001 0.00000 0.00004 -0.00004 0.00004 -0.00003 -0.00004 0.00007 0.00001 0.00000 -0.00000 -0.00001 0.00009 -0.00002 -0.00001 0.00002 -0.00007 -0.00001 0.00002 0.00012 -0.00006 -0.00002 -0.00004 0.00000 -0.00006 0.00005 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00011 -0.00011 -0.00000 -0.00002 -0.00002 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00002 0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 0.00000 0.00001 -0.00002 0.00001 0.00001 0.00034 0.00041 0.00038 -0.00072 -0.00074 0.00086 0.00089 0.00093 0.00066 0.00069 0.00073 0.00014 0.00019 0.00018 0.00038 0.00042 0.00041 -0.00021 -0.00005 -0.00046 -0.00029 0.00104 0.00089 -0.00042 -0.00058 -0.00103 -0.00137 0.00024 -0.00010 0.00095 0.00107 -0.00023 -0.00011 0.00013 -0.00001 0.00003 0.00001 -0.00011 -0.00015 -0.00010 -0.00011 -0.00015 -0.00010 -0.00015 -0.00019 -0.00015 0.00024 0.00022 0.00012 0.00017 0.00015 0.00004 0.00017 0.00015 0.00005 0.00011 0.00010 0.00010 0.00021 0.00020 0.00019 0.00012 0.00012 0.00011 0.00015 0.00002 0.00018 0.00005 0.00008 0.00000 0.00006 -0.00002 -0.00017 -0.00015 0.00022 0.00024 -0.00017 -0.00011 -0.00004 0.00002 -0.00009 -0.00008 -0.00001 0.00000 0.00003 -0.00000 -0.00003 -0.00006 -0.00001 0.00002 -0.00002 0.00001 0.00004 0.00001 0.00000 -0.00009 0.00003 -0.00002 -0.00002 0.00001 0.00003 0.00001 -0.00005 -0.00000 0.00001 -0.00002 -0.00002 0.00001 -0.00002 0.00002 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00002 0.00001 0.00000 -0.00002 0.00003 0.00000 0.00002 -0.00000 -0.00002 -0.00000 0.00004 -0.00012 0.00001 0.00007 0.00016 -0.00009 0.00003 -0.00001 -0.00003 -0.00001 0.00000 0.00004 -0.00004 0.00004 -0.00003 -0.00004 0.00007 0.00001 0.00000 -0.00000 -0.00001 0.00009 -0.00002 -0.00001 0.00002 -0.00007 -0.00001 0.00002 0.00012 -0.00006 -0.00002 -0.00004 0.00000 -0.00006 0.00005 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00011 -0.00011 -0.00000 -0.00002 -0.00002 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00002 0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 0.00000 0.00001 -0.00002 0.00001 0.00001 0.00034 0.00041 0.00038 -0.00072 -0.00074 0.00086 0.00089 0.00093 0.00066 0.00069 0.00073 0.00014 0.00019 0.00018 0.00038 0.00042 0.00041 -0.00021 -0.00005 -0.00046 -0.00029 0.00104 0.00089 -0.00042 -0.00058 -0.00103 -0.00137 0.00024 -0.00010 0.00095 0.00107 -0.00023 -0.00011 0.00013 -0.00001 0.00003 0.00001 -0.00011 -0.00015 -0.00010 -0.00011 -0.00015 -0.00010 -0.00015 -0.00019 -0.00015 0.00024 0.00022 0.00012 0.00017 0.00015 0.00004 0.00017 0.00015 0.00005 0.00011 0.00010 0.00010 0.00021 0.00020 0.00019 0.00012 0.00012 0.00011 0.00015 0.00002 0.00018 0.00005 0.00008 0.00000 0.00006 -0.00002 -0.00017 -0.00015 0.00022 0.00024 -0.00017 -0.00011 -0.00004 0.00002 -0.00009 -0.00008 -0.00001 0.00000 0.00003 -0.00000 -0.00003 -0.00006 -0.00001 0.00002 -0.00002 0.00001 3.30764 3.30218 3.31257 2.72438 2.57165 2.29459 2.78786 2.78133 2.57480 2.71807 2.62769 2.60462 2.47113 2.61092 2.89172 2.06872 2.06146 2.87387 2.06045 2.06195 2.89220 2.06444 2.06377 2.06351 2.06989 2.06490 2.06979 2.06826 2.64751 2.64909 2.58225 2.03269 2.03644 2.62752 2.62787 2.03881 2.62742 2.04238 2.62704 2.04238 2.01540 2.05688 2.02955 2.17427 2.26418 2.15967 1.85630 1.84341 1.99980 1.86914 1.87029 1.92909 1.91468 1.87593 2.01954 1.85802 1.94324 1.88573 1.88405 1.86669 1.94120 1.91163 1.88987 1.92945 1.92766 1.86193 1.88583 1.91509 1.90989 1.95256 1.90188 1.89825 2.17978 2.08339 2.02001 1.93692 1.94491 1.94221 1.87766 1.87901 1.88014 2.11943 2.11007 2.05271 1.84048 2.13271 2.30779 1.95243 2.11507 2.21548 2.07740 2.07920 2.12656 2.07530 2.08268 2.12518 1.93172 2.12042 2.23090 2.06935 2.10215 2.11169 2.07028 2.10095 2.11195 2.08002 2.08087 2.12229 2.94989 0.81680 -1.26470 1.56214 -1.62817 -1.40926 0.73686 2.74542 1.51665 -2.62041 -0.61186 1.98048 -0.11473 -2.14317 -0.92590 -3.02111 1.23364 -0.14773 2.98895 2.76198 -0.38453 2.32721 -0.80976 -0.71877 2.42745 -3.07361 0.00481 -0.01485 3.06357 3.09248 -0.06913 0.02749 -3.13412 -0.02774 3.13527 0.01775 -3.10698 -3.12719 1.01800 -1.00608 1.04252 -1.09547 -3.11955 -1.02306 3.12214 1.09806 -1.16602 0.94389 3.04348 0.91406 3.02397 -1.15963 2.92701 -1.24627 0.85332 -3.14123 -1.04904 1.04987 -1.01355 1.07863 -3.10564 1.04304 3.13522 -1.04905 -0.04152 3.09220 -3.13593 -0.00221 0.04073 -3.09438 3.13541 0.00030 -0.00131 3.12208 -3.07070 0.05269 3.13712 -0.00387 0.00341 -3.13758 -3.13475 0.00484 0.00033 3.13992 3.14127 -0.00273 -0.00092 3.13826 3.14009 0.00091 0.00051 -3.13867 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000022 0.000005 0.003653 0.000702 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -4.487576e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 649 A 626 A 626 1007 649 97 97 2449.1976692825 39 39 39 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 -0.0518104849 0.000000 5.431562 0.000000 5.420589 5.421700 0.000000 2.983288 2.968096 5.907450 0.000000 7.327371 3.445365 8.797129 4.371934 0.000000 5.710311 3.876577 8.543128 2.999699 2.285522 0.000000 6.604277 3.881898 8.454181 4.063105 2.292704 2.372153 0.000000 7.456172 4.773615 8.403193 5.412098 4.127998 4.539227 2.225371 0.000000 6.219186 4.406333 9.128282 3.574876 2.735258 1.475286 3.713181 5.914495 0.000000 4.597000 4.281412 8.118270 2.397937 3.615037 1.471810 2.863726 4.667730 2.524268 0.000000 5.811537 3.842547 8.287791 3.233910 3.313940 2.529097 4.577311 6.627541 1.530241 3.299695 0.000000 3.504420 3.552229 6.692256 1.441727 4.139713 2.534012 3.144276 4.411324 3.599983 1.520777 3.857898 0.000000 6.484407 3.471805 8.509521 3.640563 1.214254 1.362509 1.438335 3.591813 2.411046 2.509685 3.258053 3.118749 0.000000 6.871121 5.116131 9.336053 4.603200 4.423457 3.865490 5.968275 8.066072 2.525801 4.650322 1.530485 5.317290 4.578821 0.000000 2.721394 2.717863 4.547497 1.360846 5.130608 4.184530 4.772813 5.680147 4.787511 3.650844 4.226006 2.370239 4.539918 5.522031 0.000000 6.916298 5.130494 9.251325 4.763817 3.515179 3.059274 1.390537 2.260432 4.446847 3.107268 5.533405 3.534375 2.560966 6.890133 5.540396 0.000000 6.989465 3.675383 7.948438 4.584052 2.905960 3.572432 1.378307 1.307659 4.847515 3.976078 5.451814 3.794424 2.484161 6.867171 4.928808 2.216479 0.000000 1.750310 4.008127 4.004828 2.408927 6.507927 5.375533 5.958353 6.653921 5.955249 4.581746 5.368536 3.232683 5.843712 6.544850 1.401000 6.546320 6.078627 0.000000 4.012155 1.747434 4.005693 2.403466 4.889786 4.599383 4.786972 5.459235 5.194486 4.446627 4.522152 3.257737 4.574449 5.794043 1.401836 5.776918 4.621666 2.397594 0.000000 7.417354 5.541616 9.198956 5.506739 4.397958 4.288902 2.193934 1.381647 5.709691 4.228908 6.668164 4.268165 3.607620 8.078849 6.020975 1.366459 2.142865 6.927170 6.104754 0.000000 2.714090 4.532379 2.717028 3.684099 7.466655 6.601052 6.938499 7.332826 7.186843 5.894420 6.486520 4.482654 6.909406 7.607642 2.439586 7.574512 6.827319 1.390429 2.784968 7.779563 0.000000 4.534118 2.714381 2.717523 3.680224 6.089019 5.977687 5.948744 6.252870 6.562512 5.788207 5.797228 4.500144 5.860614 6.965043 2.439523 6.910660 5.551030 2.783827 1.390595 7.046190 2.427162 0.000000 4.001869 4.001302 1.752934 4.154646 7.266458 6.833721 6.913465 7.135737 7.425830 6.382613 6.648257 4.978586 6.894943 7.773390 2.794565 7.714844 6.578721 2.390631 2.391292 7.814329 1.390358 1.390179 0.000000 6.254405 5.343343 9.745830 3.973377 3.733679 2.079504 4.386446 6.578922 1.094715 2.635165 2.171358 3.911171 3.250737 2.775599 5.284361 4.847328 5.630846 6.293801 5.913538 6.174196 7.603057 7.287726 8.014718 0.000000 7.278761 4.840350 9.877199 4.539279 2.434068 2.077530 3.863331 6.058251 1.090887 3.384648 2.158102 4.494155 2.501513 2.752561 5.677244 4.631853 4.964635 6.915972 5.899812 5.884460 8.096305 7.236695 8.214510 1.762354 0.000000 4.375675 4.872603 8.425532 2.555825 4.323550 2.065054 3.913904 5.757308 2.487236 1.090339 3.115868 2.128099 3.347209 4.255995 3.893760 4.121412 5.045584 4.659647 4.874360 5.275521 6.036138 6.205244 6.676116 2.217072 3.483327 0.000000 5.130937 5.116493 8.803022 3.323288 4.108472 2.127297 2.859740 4.445514 3.273355 1.091136 4.288596 2.127449 2.918263 5.571795 4.471052 2.588880 4.023316 5.277642 5.273069 3.709133 6.565543 6.561069 7.100986 3.220914 3.965209 1.753065 0.000000 4.785057 3.756964 7.598305 2.461177 3.993434 2.775788 4.813742 6.743336 2.156953 3.040768 1.092454 3.323938 3.684724 2.170173 3.455194 5.682414 5.646246 4.454407 3.997945 6.762725 5.615015 5.256396 5.931833 2.517827 3.057989 2.691353 4.100542 0.000000 6.061414 3.014068 7.781839 3.295522 2.804491 2.751127 4.318876 6.215066 2.140749 3.685979 1.092095 3.977644 3.023359 2.168588 4.035783 5.471190 4.963916 5.301963 3.990079 6.472356 6.275672 5.200957 6.212566 3.056906 2.486175 3.782839 4.680111 1.752483 0.000000 4.162284 3.127230 6.451903 2.081741 3.835182 2.791724 2.526986 3.437753 4.055770 2.177772 4.354250 1.091957 2.868783 5.876148 2.564136 3.026209 2.866165 3.533944 3.028253 3.510061 4.571469 4.186669 4.817818 4.562089 4.778815 3.052877 2.561072 3.991829 4.221767 0.000000 2.965498 4.471823 6.765368 2.080526 5.186094 3.448589 3.933982 4.896465 4.476241 2.143730 4.760790 1.095343 4.106267 6.144611 2.744161 4.004223 4.528792 3.133262 3.843904 4.598046 4.375873 4.915094 5.111543 4.588034 5.413046 2.488735 2.373671 4.098704 4.987923 1.778101 0.000000 6.908848 5.185135 8.983584 4.854575 5.110547 4.691072 6.691100 8.686974 3.480693 5.375278 2.175726 5.803324 5.332978 1.092700 5.559191 7.697344 7.458376 6.489199 5.738392 8.818137 7.419430 6.765463 7.524509 3.779252 3.757855 4.967704 6.369273 2.509490 2.518104 6.351932 6.607521 0.000000 6.925586 5.962764 9.950427 4.948885 5.137863 4.181682 6.458748 8.615759 2.792606 4.761089 2.183411 5.575823 5.116499 1.095289 5.981118 7.210884 7.487294 6.874626 6.465813 8.469086 8.017792 7.666760 8.351291 2.594138 3.115706 4.150139 5.595636 2.540778 3.085384 6.280571 6.270386 1.765421 0.000000 7.859424 5.507963 10.073308 5.408028 4.274809 4.170774 6.098655 8.205515 2.790214 5.203695 2.180867 5.988724 4.662657 1.094480 6.324820 7.050032 6.982016 7.443402 6.446125 8.240769 8.481837 7.611406 8.537252 3.138580 2.568306 4.938685 6.042779 3.084356 2.525783 6.426408 6.886663 1.765628 1.768458 0.000000 7.050164 5.811830 9.948815 5.008867 3.904021 3.002515 2.164380 3.316877 4.257764 2.942262 5.526172 3.743961 2.889463 6.777486 5.969241 1.075650 3.241755 6.921480 6.394768 2.236035 8.061949 7.607775 8.345777 4.429094 4.446118 3.790146 2.179275 5.681848 5.663910 3.535212 4.106550 7.670331 6.944384 6.938667 0.000000 7.124481 3.012354 7.445114 4.622489 2.798409 3.914190 2.144581 2.136568 5.003311 4.478551 5.341250 4.149564 2.749988 6.710184 4.778872 3.241817 1.077636 5.990780 4.183329 3.197010 6.606379 5.001450 6.161018 5.917389 5.078903 5.485733 4.747632 5.573877 4.663415 3.217963 4.986619 7.179698 7.456781 6.793578 4.218916 0.000000 7.985537 6.550898 9.855630 6.353748 5.442898 5.218057 3.249563 2.151809 6.636446 5.005758 7.654354 5.037435 4.636692 9.055621 6.839322 2.199831 3.166369 7.620009 6.990749 1.078890 8.438109 7.865546 8.532739 7.002282 6.818067 5.997709 4.323797 7.708458 7.512927 4.332555 5.180058 9.818668 9.384843 9.228077 2.751841 4.184074 0.000000 2.853282 5.613150 2.865832 4.556606 8.501579 7.512309 7.881005 8.201516 8.085474 6.686927 7.390352 5.285994 7.893957 8.452748 3.416134 8.418127 7.784552 2.150406 3.865747 8.586816 1.080784 3.407563 2.156081 8.415076 9.035016 6.745897 7.294285 6.458438 7.255783 5.442923 5.001331 8.232347 8.783052 9.374167 8.861116 7.614392 9.168364 0.000000 5.614897 2.854921 2.866979 4.550879 6.258349 6.521546 6.284378 6.422567 7.081957 6.520100 6.293283 5.312008 6.210284 7.405869 3.415934 7.335674 5.708567 3.864607 2.149840 7.379175 3.407682 1.080784 2.156060 7.904819 7.632966 7.012402 7.286838 5.899044 5.547912 4.862899 5.821665 7.164241 8.208548 7.939798 8.117689 4.994871 8.216044 4.302885 0.000000 C15H16Cl3N3O2 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 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2724295 0.1311977 0.1189249 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= 626 RedAO= T EigKep= 1.16D-06 NBF= 626 NBsUse= 624 1.00D-06 EigRej= 9.00D-07 NBFU= 624 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= 641 641 641 641 641 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -2276.88327762572 -2276.88327762545 0.000000000277 -2276.88327763 2 2.269958041201e+03 -1.026612488123e+04 3.270137703603e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245867807 LenY= 4245445957 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= 39. Will process 40 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111 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. 12036 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 780000000 NMat= 117 IRICut= 292 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= 117 NMatS0= 117 NMatT0= 0 NMatD0= 117 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 77.29% of shell-pairs survive, threshold= 0.20 IRatSp=77. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 5.11D-14 1.00D-09 XBig12= 2.39D+02 5.83D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 5.11D-14 1.00D-09 XBig12= 5.74D+01 1.28D+00. 117 vectors produced by pass 2 Test12= 5.11D-14 1.00D-09 XBig12= 4.87D-01 5.45D-02. 117 vectors produced by pass 3 Test12= 5.11D-14 1.00D-09 XBig12= 2.88D-03 5.74D-03. 117 vectors produced by pass 4 Test12= 5.11D-14 1.00D-09 XBig12= 9.37D-06 2.80D-04. 108 vectors produced by pass 5 Test12= 5.11D-14 1.00D-09 XBig12= 1.74D-08 1.11D-05. 59 vectors produced by pass 6 Test12= 5.11D-14 1.00D-09 XBig12= 2.93D-11 4.68D-07. 3 vectors produced by pass 7 Test12= 5.11D-14 1.00D-09 XBig12= 4.24D-14 1.70D-08. InvSVY: IOpt=1 It= 1 EMax= 1.60D-14 Solved reduced A of dimension 755 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 239.81 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 265.597 12.871 225.484 5.641 12.444 228.345 365.171 27.493 325.692 2.075 39.230 387.355 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT106362.100S Thu Dec 9 21:22:58 2021 -1.67764026e-01 1.26340030e+00 1.38671462e+00 2.65596574e+02 1.28712256e+01 2.25484229e+02 5.64088182e+00 1.24438002e+01 2.28345474e+02 -3.1949 -0.0005 0.0006 0.0015 2.0521 3.6923 19.1145 32.7496 45.0120 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 19.1105 32.7492 45.0099 46.7529 53.7808 69.2940 72.9055 79.9982 95.7763 126.8304 132.3420 153.0521 179.0728 192.2515 200.7774 205.8056 210.1452 232.8923 243.2187 295.4602 298.9495 323.6488 332.3466 373.3347 378.0338 405.0116 430.4803 436.6201 464.9943 521.5130 524.5341 580.0749 583.0484 591.5896 641.3952 664.4221 677.8142 707.8528 742.5252 764.7826 772.2757 776.5762 803.3011 837.5952 839.7858 867.4805 871.8815 880.1445 883.5298 896.0428 910.2633 916.0406 934.5182 987.8289 1028.4495 1043.8908 1055.5792 1085.5696 1097.3530 1102.0550 1127.1719 1128.1099 1145.8717 1152.6732 1211.7795 1225.2056 1231.7945 1258.0820 1275.9469 1281.0195 1285.0374 1295.2968 1309.7894 1327.3283 1343.3115 1348.8186 1382.3849 1386.1482 1408.7814 1416.7969 1419.1825 1422.3982 1441.5077 1478.3537 1485.6824 1498.2163 1499.4703 1503.3108 1508.4104 1513.4658 1515.3305 1545.4707 1581.8198 1607.0476 1752.7194 3015.0584 3030.8136 3031.6579 3058.0730 3066.3428 3069.5727 3090.6547 3091.6442 3092.2597 3111.5413 3115.4131 3218.1129 3218.5596 3237.9953 3265.9520 3279.0347 8.5825 9.5623 5.4730 6.8826 6.8017 4.6328 4.8354 4.4202 1.9437 5.1995 12.5889 5.0203 6.4926 22.6617 7.5759 4.9184 5.8303 3.4534 1.1460 11.8779 2.9325 3.5488 5.0236 12.7323 7.6639 2.3655 6.7362 8.2248 5.9751 3.7205 4.8087 6.3948 4.0827 3.6625 4.0589 3.6902 4.4029 5.1985 1.2017 1.1752 5.8331 7.8836 11.3099 3.1689 1.5710 1.8840 1.4358 1.3685 1.3628 1.6331 3.7111 6.1717 2.1287 2.5111 3.7889 3.0420 3.4538 1.6774 1.9687 2.3939 2.1004 1.8631 3.3702 2.5439 2.7129 1.5176 2.0890 1.4802 2.8926 1.6842 11.4817 1.6945 3.1180 1.3289 1.2708 1.2629 1.5991 2.6900 3.2540 1.3160 1.3576 1.3837 1.6932 2.8838 1.1023 1.0530 2.8266 1.0474 1.1994 1.1015 1.1662 4.4935 8.8059 6.8997 11.0505 1.0370 1.0627 1.0663 1.0624 1.1000 1.0620 1.0996 1.0989 1.0995 1.1036 1.1031 1.0929 1.0931 1.0939 1.0972 1.1035 0.0018 0.0060 0.0065 0.0089 0.0116 0.0131 0.0151 0.0167 0.0105 0.0493 0.1299 0.0693 0.1227 0.4935 0.1799 0.1227 0.1517 0.1104 0.0399 0.6109 0.1544 0.2190 0.3269 1.0456 0.6453 0.2286 0.7355 0.9238 0.7612 0.5962 0.7795 1.2678 0.8177 0.7552 0.9838 0.9598 1.1918 1.5347 0.3904 0.4050 2.0497 2.8012 4.3000 1.3099 0.6528 0.8353 0.6431 0.6246 0.6268 0.7725 1.8117 3.0513 1.0953 1.4437 2.3612 1.9531 2.2674 1.1646 1.3967 1.7131 1.5723 1.3970 2.6072 1.9914 2.3471 1.3422 1.8675 1.3803 2.7746 1.6283 11.1709 1.6751 3.1515 1.3795 1.3511 1.3537 1.8005 3.0452 3.8051 1.5564 1.6111 1.6495 2.0729 3.7134 1.4335 1.3926 3.7444 1.3947 1.6079 1.4865 1.5777 6.3235 12.9819 10.4987 20.0012 5.5544 5.7514 5.7741 5.8539 6.0939 5.8954 6.1887 6.1888 6.1946 6.2955 6.3083 6.6683 6.6717 6.7576 6.8954 6.9906 0.4146 0.6396 1.1909 0.1899 0.1927 0.3159 0.6195 0.8231 0.0737 6.0931 0.4687 1.2020 1.4218 0.0218 1.0212 0.3101 4.2936 2.0054 0.2952 2.4539 1.4539 0.8804 3.3634 1.0500 1.7354 4.9256 3.2888 4.6825 1.9090 2.5280 0.4603 4.7172 6.3007 13.1207 3.7992 36.0428 0.0913 21.6248 32.1002 12.4243 31.8162 50.7075 75.4169 62.8438 15.6697 3.6518 30.8838 0.5876 0.1598 7.8833 2.0672 3.9052 7.0637 1.7652 81.3310 30.8029 43.3718 14.8180 38.1089 11.2889 1.9614 14.0170 29.9737 12.9599 10.2172 7.0021 42.1464 131.0194 124.5915 23.2961 3.0435 78.6982 65.4343 13.1068 1.0269 65.4922 28.0579 32.3643 30.9352 14.1966 73.5889 20.0873 141.3484 209.9980 11.9939 1.1687 60.0319 11.8902 55.7935 21.8889 7.1048 6.8692 44.6950 35.9314 339.1455 36.1125 15.3811 33.6076 10.2814 19.4837 22.0014 20.9451 9.4960 19.5203 15.2173 20.6322 2.1673 1.7455 4.0349 1.5999 0.7448 -0.02 0.06 -0.02 -0.02 -0.16 0.06 -0.09 0.19 -0.05 -0.02 -0.07 0.02 -0.00 0.03 0.01 -0.03 -0.02 0.03 0.11 -0.00 0.00 0.30 -0.05 -0.02 -0.10 0.00 0.04 -0.03 -0.09 0.02 -0.12 -0.05 0.02 -0.02 -0.10 -0.02 0.02 0.01 0.01 -0.16 -0.05 0.01 -0.03 -0.03 0.01 0.20 0.02 -0.02 0.19 -0.04 0.00 -0.04 0.05 -0.01 -0.04 -0.05 0.02 0.31 -0.01 -0.04 -0.06 0.11 -0.03 -0.06 0.01 0.01 -0.07 0.10 -0.02 -0.15 0.01 0.05 -0.08 0.06 0.06 -0.04 -0.11 0.07 -0.02 -0.12 -0.00 -0.12 -0.08 0.01 -0.08 -0.07 0.03 0.00 -0.08 -0.06 -0.03 -0.15 -0.02 -0.17 -0.08 -0.00 -0.20 -0.03 0.01 -0.15 -0.02 0.02 0.17 0.06 -0.03 0.15 -0.07 0.02 0.40 0.00 -0.06 -0.07 0.18 -0.05 -0.06 -0.00 0.01 -0.02 0.27 -0.14 -0.01 -0.11 0.01 0.01 -0.16 0.12 0.00 0.01 -0.05 0.04 0.08 0.04 0.01 -0.01 0.07 -0.02 -0.01 -0.04 0.04 -0.03 -0.22 0.04 0.01 0.14 -0.04 -0.04 0.04 0.06 0.06 0.15 -0.04 -0.02 -0.03 0.01 0.02 0.03 0.09 0.07 0.20 -0.01 0.03 -0.04 -0.09 -0.07 -0.03 0.06 0.02 -0.16 -0.01 0.11 -0.06 -0.01 -0.07 0.01 -0.05 -0.08 -0.15 -0.01 0.06 -0.01 -0.01 -0.12 0.05 -0.00 -0.06 0.05 0.04 -0.03 0.17 0.04 0.02 0.14 -0.03 -0.06 0.08 -0.08 -0.08 0.04 0.05 0.06 0.14 0.05 0.09 0.12 -0.04 -0.01 -0.05 -0.09 -0.03 -0.05 0.10 0.11 0.21 0.10 0.03 0.23 0.09 0.08 0.20 -0.15 -0.10 0.05 0.13 0.07 -0.19 -0.09 -0.12 -0.17 -0.01 0.12 -0.03 -0.00 -0.20 0.09 0.07 -0.07 0.01 -0.07 -0.04 -0.07 -0.07 0.05 0.05 0.00 -0.05 -0.07 0.21 0.10 0.12 0.03 0.05 0.09 0.06 0.05 0.04 -0.01 0.06 -0.09 0.00 0.06 0.09 -0.04 0.02 0.04 0.06 -0.07 -0.10 -0.01 -0.03 -0.03 0.11 0.07 0.09 0.04 -0.08 -0.15 -0.01 -0.04 -0.03 -0.10 -0.00 0.09 0.11 0.08 -0.07 0.02 -0.04 0.00 -0.05 -0.03 -0.04 -0.14 0.01 0.01 -0.00 -0.02 0.03 -0.07 -0.00 -0.01 -0.04 0.00 0.02 -0.17 0.11 0.12 0.10 0.11 0.22 -0.10 0.01 0.04 -0.06 0.04 0.08 -0.03 -0.08 -0.21 0.21 -0.14 -0.09 0.04 -0.02 -0.04 -0.05 -0.05 -0.05 0.08 -0.18 -0.29 -0.11 -0.01 -0.17 0.13 -0.08 -0.04 -0.17 -0.04 0.18 0.23 0.13 -0.12 -0.25 -0.03 0.02 0.02 -0.02 0.05 -0.10 0.01 -0.02 -0.14 0.04 0.06 0.09 0.05 0.16 0.07 -0.04 -0.06 -0.05 0.08 0.15 0.04 0.02 0.01 -0.02 -0.00 0.00 -0.02 -0.01 -0.03 0.05 -0.04 -0.19 -0.04 -0.00 -0.02 0.00 -0.00 0.02 0.01 -0.11 -0.18 -0.01 0.02 0.05 0.01 0.00 0.01 -0.01 -0.13 -0.23 -0.02 0.06 0.10 -0.08 -0.06 -0.02 0.06 0.00 -0.13 -0.06 0.05 0.05 0.04 0.04 0.10 -0.03 -0.07 -0.12 -0.03 0.02 -0.00 0.07 0.01 0.05 0.03 0.00 0.00 -0.17 0.05 -0.02 0.04 0.02 0.08 0.03 -0.01 0.03 0.01 -0.02 -0.00 -0.06 -0.11 -0.27 0.13 -0.17 -0.16 -0.04 0.05 -0.02 0.04 -0.04 0.06 0.03 -0.21 -0.35 -0.12 -0.06 -0.26 0.07 -0.13 -0.14 -0.14 -0.09 0.05 0.13 0.04 -0.16 -0.06 -0.11 -0.14 -0.06 0.01 -0.04 0.12 0.00 0.06 -0.06 -0.00 0.01 -0.09 0.18 -0.08 -0.03 -0.10 0.06 -0.06 0.07 -0.03 0.01 -0.04 0.03 -0.02 -0.04 0.03 0.02 -0.04 0.04 0.17 -0.07 0.05 0.04 -0.05 0.06 -0.07 -0.06 -0.00 0.13 -0.03 -0.06 -0.09 -0.00 -0.07 -0.00 -0.04 0.03 0.23 -0.04 -0.04 -0.07 0.08 -0.03 0.14 -0.01 -0.00 0.05 -0.06 0.07 -0.06 0.03 -0.01 -0.08 0.12 -0.05 0.24 -0.03 -0.00 -0.05 -0.02 0.01 -0.07 0.07 -0.03 -0.05 -0.00 0.01 -0.03 -0.05 0.09 0.11 -0.06 0.14 -0.03 -0.07 0.04 -0.12 -0.13 -0.01 0.07 0.00 -0.14 0.20 -0.03 -0.08 -0.10 0.03 -0.14 -0.11 -0.06 -0.09 0.30 -0.02 -0.13 0.17 -0.04 -0.02 0.30 -0.08 0.05 0.15 0.02 -0.04 -0.03 -0.08 0.11 0.34 -0.03 -0.03 -0.03 -0.07 0.04 -0.07 0.09 -0.04 -0.04 -0.07 0.04 -0.01 -0.09 0.06 -0.05 0.05 -0.03 -0.04 0.03 -0.01 -0.08 -0.04 -0.04 0.00 0.03 -0.05 -0.04 0.01 -0.00 0.15 -0.03 -0.05 0.11 -0.00 -0.07 -0.01 0.12 -0.05 0.12 0.12 0.01 0.00 0.07 -0.00 -0.05 -0.00 -0.03 0.23 0.09 0.02 -0.03 -0.02 0.02 -0.13 0.06 0.06 0.13 -0.04 -0.06 -0.03 -0.04 0.02 -0.02 -0.05 0.03 -0.01 0.04 0.03 -0.03 -0.03 0.01 -0.03 -0.04 0.02 -0.03 -0.01 0.00 0.22 -0.03 -0.08 0.06 -0.09 -0.12 -0.05 0.15 -0.15 -0.00 0.21 0.01 0.16 0.19 0.06 0.01 0.16 0.02 0.02 0.06 0.03 0.03 0.10 0.01 0.25 0.20 0.08 0.35 0.05 0.02 0.18 0.02 -0.03 -0.25 0.11 0.13 0.24 -0.09 -0.12 -0.03 0.06 0.06 -0.03 -0.03 0.01 -0.02 -0.05 0.02 -0.07 0.01 0.02 -0.02 0.01 0.05 -0.03 -0.01 0.00 -0.05 0.04 0.03 0.27 -0.07 -0.03 0.04 -0.02 -0.11 0.11 -0.03 -0.03 -0.05 0.01 0.06 0.04 -0.02 -0.10 0.02 -0.02 -0.13 0.03 -0.01 -0.07 0.02 -0.03 -0.12 0.15 -0.04 -0.06 -0.09 0.12 0.18 -0.05 0.03 0.02 0.02 -0.01 0.02 0.06 -0.02 0.00 -0.05 0.02 0.02 -0.03 0.01 0.03 -0.07 0.01 0.07 -0.05 0.01 0.00 -0.03 0.00 0.02 -0.03 0.00 0.01 0.04 -0.03 -0.09 0.03 -0.01 -0.11 0.01 -0.02 -0.13 0.01 -0.01 -0.12 -0.01 -0.20 -0.11 0.13 0.09 -0.19 0.01 0.02 -0.23 0.08 -0.14 -0.11 -0.09 0.11 0.18 -0.24 0.02 0.32 -0.02 0.33 0.25 0.03 -0.02 0.02 0.11 -0.03 -0.03 -0.16 0.03 0.12 -0.05 0.01 -0.00 -0.01 -0.01 0.02 -0.05 -0.01 0.00 0.00 -0.09 0.06 -0.03 0.02 -0.03 -0.02 -0.03 0.03 0.02 0.10 -0.03 -0.00 0.02 0.01 0.01 0.04 -0.06 -0.16 0.09 0.07 0.03 0.03 0.07 0.00 -0.05 0.01 0.13 0.02 -0.08 0.00 -0.05 -0.01 0.01 0.06 -0.04 0.19 0.03 -0.02 -0.02 -0.04 0.03 0.16 0.03 -0.14 -0.18 0.08 0.05 -0.03 -0.02 0.01 -0.01 -0.07 0.04 0.05 0.06 -0.05 -0.03 -0.01 -0.01 -0.00 -0.06 0.03 -0.02 -0.02 0.00 -0.10 0.02 0.12 0.12 0.07 0.19 0.01 -0.07 0.06 0.01 -0.10 -0.03 0.04 0.00 -0.19 0.25 0.02 -0.12 -0.00 -0.04 -0.03 0.01 -0.08 -0.00 0.27 0.02 -0.15 0.06 0.03 0.02 0.30 0.03 0.11 0.30 0.01 -0.24 -0.33 0.09 0.13 0.11 0.05 -0.08 -0.04 0.02 -0.02 0.01 -0.08 0.04 -0.03 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.01 0.09 0.00 -0.00 0.02 -0.00 -0.01 0.05 -0.00 -0.02 -0.04 0.02 0.01 0.02 0.00 0.00 0.01 -0.02 -0.02 -0.05 0.07 0.16 0.01 -0.02 -0.04 0.06 0.00 -0.01 0.04 -0.06 -0.11 -0.02 0.01 0.01 0.04 -0.01 -0.02 0.00 0.02 -0.00 -0.02 0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.02 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.15 -0.03 -0.01 -0.07 -0.02 -0.11 0.01 -0.03 -0.01 -0.00 -0.04 -0.03 0.08 0.28 0.33 -0.32 0.00 0.31 0.01 0.00 -0.09 0.02 -0.07 -0.04 -0.04 0.02 0.07 0.39 -0.01 -0.27 -0.17 -0.30 -0.34 0.06 -0.02 -0.03 -0.00 0.03 0.00 -0.03 0.00 0.01 -0.02 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.02 0.00 -0.01 -0.04 -0.01 -0.01 0.03 -0.01 -0.01 0.05 -0.05 0.24 -0.09 0.12 -0.07 0.04 -0.04 -0.17 0.00 0.11 0.02 -0.05 -0.09 -0.02 0.02 -0.08 -0.01 0.11 0.00 -0.03 0.07 -0.02 -0.03 0.16 0.10 0.02 -0.01 0.07 -0.02 0.08 -0.00 0.00 0.01 -0.01 0.04 -0.10 -0.02 -0.16 0.03 0.06 0.01 -0.02 0.00 0.00 -0.02 -0.00 0.15 -0.13 -0.15 0.01 -0.04 0.01 0.00 -0.03 0.01 0.00 -0.03 0.01 0.06 0.02 -0.11 -0.06 -0.04 -0.13 0.06 0.13 -0.02 0.02 0.10 -0.02 -0.01 0.08 0.01 -0.09 0.10 -0.03 -0.06 0.08 0.26 -0.03 0.34 0.12 -0.04 0.11 0.05 0.04 0.04 0.00 -0.06 0.07 -0.05 0.07 -0.13 -0.02 -0.28 0.10 0.13 0.30 -0.20 -0.27 0.02 -0.04 0.02 0.00 -0.04 0.01 -0.11 0.20 -0.10 -0.09 0.23 -0.10 -0.07 0.14 -0.08 0.02 -0.20 0.09 0.02 -0.02 -0.01 0.04 0.01 -0.02 0.03 0.00 0.00 0.03 0.00 -0.01 0.06 -0.01 -0.05 0.08 0.05 0.01 0.04 -0.00 -0.01 0.12 -0.06 0.15 0.03 -0.01 -0.01 0.02 -0.00 -0.02 0.04 -0.28 0.14 -0.00 0.01 0.02 0.04 0.00 -0.01 0.02 -0.23 0.11 0.02 -0.20 0.10 0.00 0.01 0.01 0.02 -0.25 0.11 0.02 -0.21 0.10 0.02 -0.22 0.09 0.10 -0.00 -0.07 0.03 -0.04 -0.08 0.02 0.08 -0.08 0.16 0.17 0.05 0.05 -0.01 0.01 0.02 0.00 -0.01 0.16 -0.11 0.26 0.18 0.03 0.18 0.00 0.00 0.01 0.05 -0.00 -0.02 -0.00 0.00 -0.04 -0.02 0.01 0.03 0.06 0.01 -0.02 -0.01 0.01 0.02 0.00 -0.16 0.07 0.00 -0.09 0.04 -0.09 -0.03 0.01 -0.04 -0.04 -0.02 -0.03 0.00 -0.01 -0.01 0.10 -0.05 -0.12 0.01 -0.00 0.26 0.02 0.09 0.01 0.01 0.02 -0.02 0.02 -0.03 0.23 -0.01 0.02 0.08 0.11 0.00 0.12 -0.14 0.08 0.06 0.14 -0.06 0.04 0.01 0.03 -0.16 -0.10 0.03 -0.01 0.04 -0.01 0.05 -0.03 -0.02 -0.04 0.04 0.01 -0.02 0.01 -0.01 -0.02 0.00 0.00 0.03 -0.03 -0.05 -0.01 -0.01 -0.01 -0.02 -0.02 0.01 -0.02 -0.02 -0.00 0.27 0.04 -0.03 0.19 -0.02 -0.04 0.11 0.12 -0.04 -0.03 0.10 0.08 0.16 -0.26 0.14 0.16 -0.20 0.11 0.07 0.14 -0.05 0.06 0.14 -0.05 -0.28 -0.27 0.08 -0.23 -0.03 -0.01 -0.20 0.05 -0.03 0.08 -0.05 -0.02 -0.08 0.08 0.03 0.06 -0.06 -0.08 -0.01 -0.02 0.00 -0.00 -0.03 0.01 0.14 0.01 -0.01 0.06 0.05 0.08 -0.01 0.10 -0.06 -0.09 0.21 -0.10 -0.03 0.01 0.00 -0.01 -0.02 0.03 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.03 -0.00 0.06 -0.11 -0.05 -0.04 -0.02 -0.02 0.03 -0.13 0.06 -0.23 -0.02 -0.00 0.00 -0.02 -0.03 0.01 -0.06 0.11 -0.06 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.04 0.02 0.00 -0.05 0.02 -0.00 -0.00 0.01 0.03 -0.19 0.10 0.05 -0.21 0.09 0.04 -0.18 0.09 -0.07 -0.01 0.08 -0.01 0.03 0.08 -0.05 -0.08 0.05 -0.23 -0.18 -0.05 -0.03 -0.01 0.02 -0.01 -0.04 0.04 -0.15 0.15 -0.41 -0.19 -0.12 -0.27 -0.02 -0.06 -0.02 -0.05 -0.01 -0.01 -0.01 -0.04 0.02 -0.00 0.01 -0.01 -0.01 -0.03 0.01 0.00 0.00 0.01 0.04 -0.23 0.12 0.05 -0.26 0.11 -0.30 -0.12 -0.14 0.35 0.11 0.10 -0.21 0.18 0.45 0.06 -0.01 -0.14 -0.02 0.01 -0.01 -0.03 -0.01 -0.00 0.04 -0.01 -0.01 -0.02 -0.00 0.00 -0.06 -0.00 0.01 -0.01 -0.03 0.01 -0.04 0.01 -0.01 -0.03 0.02 -0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.07 -0.02 -0.15 0.02 -0.02 -0.00 0.01 -0.01 -0.01 0.07 -0.08 -0.15 0.10 -0.04 -0.15 -0.02 -0.01 0.01 0.14 -0.12 -0.15 0.09 -0.07 -0.20 0.10 -0.08 -0.14 -0.07 -0.00 0.01 -0.05 0.02 0.02 0.04 -0.04 0.04 -0.03 -0.08 -0.02 -0.05 0.03 -0.03 -0.04 0.02 -0.02 -0.03 -0.02 0.06 -0.09 0.11 -0.03 0.02 0.02 -0.02 0.01 0.00 -0.00 0.01 -0.02 0.01 0.03 -0.03 -0.01 0.02 -0.00 -0.01 -0.04 -0.01 0.01 0.14 -0.15 -0.15 0.09 -0.06 -0.21 0.17 -0.00 -0.08 0.08 0.12 0.17 -0.09 -0.07 0.01 -0.06 -0.16 0.03 0.08 -0.01 0.01 0.06 0.02 0.01 -0.19 0.04 0.00 0.06 -0.01 0.00 0.15 0.00 0.01 -0.04 0.07 -0.04 0.10 -0.05 0.05 0.03 -0.11 -0.03 -0.03 0.02 -0.01 -0.08 -0.04 -0.02 -0.06 -0.13 0.01 -0.08 0.09 -0.03 -0.10 -0.01 0.01 -0.06 -0.02 -0.04 -0.06 -0.05 -0.01 0.07 0.06 -0.03 -0.10 0.10 -0.08 -0.07 0.02 -0.06 -0.09 0.05 -0.07 0.19 -0.00 0.00 0.13 -0.04 -0.01 -0.22 0.11 -0.19 -0.01 0.27 0.08 0.13 -0.11 0.09 0.11 -0.09 0.09 0.11 -0.09 -0.05 0.08 -0.17 -0.02 -0.18 -0.15 0.05 -0.07 0.02 -0.07 -0.14 0.03 -0.11 -0.13 0.16 -0.06 -0.16 -0.06 0.04 0.19 0.08 -0.05 -0.11 0.16 -0.10 -0.07 0.02 -0.07 -0.01 0.08 -0.03 0.02 -0.08 0.06 0.00 -0.01 -0.01 -0.00 0.00 -0.02 0.05 0.03 -0.01 -0.00 -0.02 -0.00 -0.03 -0.00 -0.05 0.01 -0.01 0.02 0.02 -0.02 0.02 -0.00 -0.00 -0.00 0.01 -0.03 0.02 -0.02 0.03 0.03 0.00 -0.00 -0.03 -0.01 -0.03 0.01 -0.01 0.00 0.00 -0.02 0.04 -0.04 -0.01 -0.03 -0.02 0.03 -0.14 0.07 -0.04 0.14 -0.06 0.00 0.04 0.01 0.06 -0.29 0.14 -0.08 0.30 -0.14 -0.01 0.01 0.00 0.01 -0.02 0.03 0.02 -0.01 0.03 0.02 0.00 -0.01 -0.01 -0.01 0.00 0.02 -0.04 0.03 0.02 -0.04 0.03 -0.04 -0.00 0.08 -0.02 0.09 0.04 -0.02 -0.05 0.01 -0.02 -0.02 0.00 -0.01 -0.02 0.01 -0.02 0.07 -0.06 -0.01 -0.07 -0.02 0.01 0.07 0.03 0.10 -0.49 0.24 -0.12 0.50 -0.23 0.07 0.02 -0.04 0.02 0.02 0.09 -0.05 -0.04 -0.02 -0.02 -0.04 -0.01 -0.20 -0.08 0.03 0.04 0.06 0.01 0.21 -0.00 0.13 -0.09 0.05 -0.08 -0.04 0.04 -0.10 0.02 0.04 -0.00 -0.03 0.08 -0.08 0.04 -0.02 -0.05 0.04 0.00 0.09 0.04 0.10 -0.03 -0.03 -0.04 0.00 0.15 -0.19 0.10 0.06 0.14 0.04 -0.03 -0.05 0.00 -0.05 0.02 -0.02 -0.04 -0.16 -0.04 -0.03 -0.05 0.01 -0.06 0.08 -0.05 -0.05 0.01 -0.03 0.01 0.08 -0.14 -0.07 0.00 -0.13 -0.02 0.03 0.01 0.02 0.04 -0.01 -0.03 0.10 -0.08 -0.06 0.13 -0.11 0.10 0.00 -0.10 0.04 -0.11 -0.06 0.05 0.19 0.03 0.12 0.03 0.00 0.01 0.08 -0.06 0.20 -0.33 0.19 0.07 0.31 0.06 -0.13 -0.28 -0.12 -0.02 -0.08 0.03 -0.07 0.13 -0.08 0.06 -0.02 -0.02 -0.00 0.04 0.05 -0.05 -0.03 -0.02 -0.01 0.03 -0.05 0.03 0.07 -0.03 -0.02 -0.05 0.00 0.13 -0.04 -0.09 -0.03 0.01 0.02 -0.03 -0.06 0.00 0.03 0.03 0.04 -0.02 -0.06 0.00 -0.07 0.19 0.20 0.03 -0.02 -0.03 0.03 -0.06 0.05 -0.02 -0.00 -0.01 0.07 -0.00 -0.05 0.07 -0.03 -0.05 -0.03 0.01 -0.03 -0.03 -0.02 0.00 -0.04 0.02 0.02 -0.04 0.03 -0.03 -0.03 -0.04 0.00 -0.05 -0.01 -0.02 -0.04 -0.05 -0.00 -0.02 -0.05 0.00 0.22 0.04 0.06 -0.00 -0.07 0.00 -0.03 -0.06 -0.01 -0.01 -0.04 -0.02 -0.15 0.04 0.49 -0.05 0.53 0.24 0.02 0.03 0.13 0.13 -0.13 0.07 -0.02 -0.08 -0.01 0.10 -0.00 -0.08 0.10 -0.05 -0.06 -0.11 0.05 0.07 -0.04 0.06 -0.03 -0.01 -0.06 0.02 -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 0.02 0.01 -0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.02 -0.05 -0.08 -0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.02 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 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.09 0.02 0.00 0.05 0.01 0.06 -0.03 -0.01 0.01 -0.01 0.00 0.01 -0.01 -0.11 -0.12 0.10 -0.02 -0.12 0.00 -0.00 -0.04 -0.01 -0.05 -0.02 -0.19 0.26 0.52 0.49 -0.21 0.04 -0.33 0.00 -0.38 -0.01 0.01 0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.11 -0.05 -0.17 0.03 -0.08 -0.16 -0.07 0.02 0.08 -0.26 0.23 0.58 -0.00 0.00 -0.00 -0.03 0.00 -0.01 0.03 0.01 -0.01 -0.01 0.02 -0.01 0.03 -0.03 -0.03 0.01 0.04 0.02 0.01 -0.03 0.02 -0.00 0.03 0.10 -0.00 0.00 0.00 0.02 -0.04 0.02 -0.01 0.03 0.06 0.02 0.00 -0.01 0.01 0.02 -0.01 -0.10 -0.06 -0.07 0.11 0.05 0.02 -0.00 0.01 -0.01 -0.07 -0.07 -0.06 0.09 0.04 -0.00 0.01 -0.03 -0.07 0.09 -0.02 -0.05 -0.00 -0.08 -0.07 0.02 0.05 0.00 0.04 0.06 0.01 0.03 -0.04 0.05 -0.01 -0.03 0.02 -0.04 0.19 -0.23 0.20 -0.33 0.15 0.04 -0.04 -0.01 -0.01 -0.03 0.03 0.04 -0.04 0.05 0.03 -0.00 -0.01 0.02 0.03 -0.01 -0.02 0.00 -0.01 -0.08 -0.11 -0.07 0.14 0.06 -0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.01 -0.01 -0.06 0.01 -0.02 0.03 -0.06 -0.02 -0.01 -0.07 0.04 0.09 0.08 0.10 0.01 -0.07 0.01 0.16 0.13 0.00 -0.03 0.01 0.05 -0.02 -0.01 -0.02 -0.12 0.17 -0.14 0.00 0.01 -0.00 0.01 -0.06 -0.01 0.02 -0.09 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.02 -0.05 0.04 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.02 0.19 0.18 0.08 0.21 0.09 -0.10 0.12 0.02 -0.18 -0.07 0.13 0.07 -0.03 0.21 0.08 0.03 -0.08 -0.02 0.10 -0.02 0.08 0.06 -0.32 -0.05 -0.01 -0.11 0.30 -0.25 -0.25 0.29 -0.31 0.02 -0.06 -0.01 0.04 -0.11 -0.01 -0.05 -0.03 0.07 -0.00 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.02 -0.04 -0.03 0.01 0.03 -0.09 -0.03 -0.03 0.07 0.06 0.02 0.00 -0.07 -0.03 0.13 0.01 -0.00 -0.11 0.04 0.05 0.05 0.01 -0.01 -0.07 0.07 0.04 0.20 -0.17 0.02 -0.07 0.02 -0.03 0.09 0.03 -0.00 0.03 0.01 -0.02 0.03 0.02 0.00 0.05 0.05 0.01 -0.09 0.04 0.04 -0.03 0.02 0.02 0.02 0.01 -0.03 -0.01 0.03 0.02 0.01 0.03 0.01 0.01 -0.02 -0.02 -0.01 -0.00 0.02 -0.05 -0.03 -0.01 -0.20 0.08 0.07 -0.02 0.21 0.09 0.43 -0.25 0.32 0.14 -0.48 -0.17 -0.10 0.04 -0.08 -0.02 0.03 -0.05 -0.00 0.03 -0.00 0.12 0.05 0.01 0.07 0.10 0.01 0.09 -0.03 0.02 0.03 -0.04 0.00 -0.08 0.04 0.05 -0.01 0.00 0.01 0.05 0.03 -0.00 0.03 -0.01 0.02 0.03 -0.01 0.02 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.03 -0.02 -0.01 0.02 0.04 0.01 0.02 0.21 0.07 0.13 0.04 0.10 -0.02 -0.13 -0.10 -0.02 -0.18 0.09 -0.09 0.07 -0.04 0.05 0.15 0.05 -0.11 0.06 -0.06 0.12 0.03 -0.09 0.01 0.02 0.04 0.04 0.05 -0.01 0.03 -0.01 0.02 -0.01 -0.08 -0.08 -0.03 -0.23 -0.01 0.01 -0.02 0.00 0.00 -0.01 0.02 -0.00 -0.08 0.05 0.00 0.01 -0.01 -0.01 0.02 0.00 -0.02 0.01 -0.01 -0.13 0.14 -0.08 -0.10 0.14 -0.05 -0.07 0.18 -0.06 0.02 0.26 0.15 -0.13 0.11 -0.08 -0.12 0.09 -0.08 0.26 0.11 -0.24 0.08 -0.19 -0.13 0.12 0.16 -0.04 0.07 -0.00 0.03 0.07 -0.02 0.04 -0.02 -0.03 -0.13 -0.08 -0.34 0.00 0.02 -0.01 0.11 0.01 0.02 -0.00 0.00 0.03 -0.01 -0.02 -0.10 -0.24 -0.20 0.03 0.13 0.32 0.10 0.12 -0.13 0.05 -0.04 -0.00 -0.05 -0.05 0.10 0.01 -0.01 -0.02 -0.00 0.01 0.01 -0.02 0.01 -0.05 0.08 0.09 0.02 -0.03 -0.06 -0.04 0.01 0.01 -0.05 0.14 -0.07 0.04 -0.00 -0.03 0.02 -0.00 0.00 -0.05 -0.21 0.06 -0.02 -0.01 0.01 -0.01 -0.02 0.01 -0.02 -0.19 0.01 -0.04 -0.16 0.09 -0.00 -0.02 0.01 -0.04 0.07 -0.02 -0.02 0.06 -0.04 0.07 0.18 -0.03 -0.24 0.06 0.17 0.04 0.27 0.19 0.20 -0.06 0.09 -0.10 -0.23 -0.12 -0.09 0.01 -0.06 0.04 -0.01 -0.00 -0.10 0.11 -0.02 0.01 0.18 -0.04 0.04 0.05 0.01 0.07 -0.02 -0.00 0.01 -0.06 -0.00 -0.02 -0.02 0.02 -0.00 -0.03 0.01 0.01 -0.01 0.01 -0.08 0.13 -0.09 -0.07 0.14 -0.07 0.02 0.10 0.16 0.16 -0.01 -0.13 -0.03 -0.04 0.01 -0.15 0.05 -0.04 -0.01 -0.07 -0.06 0.09 0.01 -0.02 -0.02 -0.00 0.01 0.01 -0.02 0.00 -0.06 0.09 0.12 0.00 -0.01 -0.08 -0.04 0.01 0.01 -0.06 0.15 -0.08 0.04 -0.00 -0.04 0.02 -0.01 0.01 -0.05 -0.24 0.07 -0.02 -0.02 0.01 -0.01 -0.01 0.01 -0.03 -0.16 0.15 0.07 -0.21 0.00 -0.00 -0.02 0.01 -0.07 0.07 -0.01 -0.02 0.05 -0.08 -0.04 0.16 -0.08 -0.28 0.06 0.21 0.05 0.30 0.23 0.18 -0.04 0.06 -0.12 -0.21 -0.13 -0.10 0.00 -0.07 0.06 -0.02 0.01 -0.11 0.12 -0.03 0.00 0.19 -0.05 0.04 0.04 0.01 0.08 -0.03 -0.00 0.01 -0.08 -0.00 -0.01 -0.02 0.02 -0.00 -0.02 0.01 0.00 -0.02 0.00 -0.13 0.14 -0.10 -0.10 0.13 -0.12 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.02 0.00 -0.01 0.03 -0.02 0.02 -0.00 -0.12 -0.07 -0.01 0.01 -0.06 0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.06 0.09 0.17 -0.02 0.13 -0.07 -0.02 -0.02 0.04 0.05 -0.00 0.02 0.02 -0.01 -0.06 0.01 -0.05 0.02 0.01 0.05 -0.01 0.02 -0.02 -0.00 0.00 -0.01 0.00 0.00 0.05 -0.03 -0.01 0.05 -0.01 0.00 -0.02 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.04 0.02 -0.34 0.01 0.32 0.09 0.34 0.34 -0.21 0.19 -0.31 0.05 0.40 0.08 -0.10 -0.04 -0.06 0.12 -0.07 0.05 0.08 -0.01 0.04 0.08 0.02 0.03 0.02 -0.01 0.03 0.07 -0.05 -0.00 -0.01 -0.11 0.00 -0.00 -0.02 0.02 0.00 -0.00 0.01 -0.00 -0.03 -0.01 0.03 -0.03 0.02 0.02 -0.03 0.02 0.01 0.00 0.03 0.07 -0.02 -0.04 0.10 0.06 0.02 -0.13 -0.18 0.04 -0.01 -0.02 -0.03 0.30 0.01 0.09 -0.03 -0.01 -0.01 0.01 -0.03 0.01 -0.01 0.07 -0.05 0.00 -0.06 -0.04 -0.07 0.05 -0.05 -0.09 -0.06 0.12 0.10 0.00 -0.00 0.02 0.07 -0.03 -0.17 0.05 -0.09 -0.03 0.00 -0.01 -0.02 -0.03 -0.00 -0.16 0.15 -0.06 -0.08 0.12 -0.15 0.01 -0.00 0.00 -0.11 -0.04 0.07 -0.04 -0.06 -0.01 0.03 -0.13 0.11 -0.04 0.15 -0.10 -0.04 0.16 -0.09 -0.01 -0.06 -0.04 -0.07 -0.05 0.03 -0.07 0.08 -0.05 -0.09 0.08 -0.07 -0.20 -0.20 0.38 0.06 0.24 0.22 0.08 0.13 -0.05 0.04 0.03 -0.01 0.05 0.02 0.01 -0.04 0.02 -0.02 -0.03 -0.06 0.00 0.02 0.01 0.01 -0.14 -0.13 0.05 -0.13 -0.13 0.04 -0.07 -0.09 -0.17 0.17 0.01 -0.07 0.01 -0.03 -0.06 0.04 0.01 -0.04 0.00 0.00 0.01 -0.05 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 0.01 0.01 0.01 -0.02 -0.02 -0.00 0.00 -0.00 -0.01 0.00 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 0.01 -0.00 0.03 -0.04 -0.02 0.03 -0.02 -0.00 -0.00 0.00 -0.00 -0.13 0.12 0.29 -0.14 0.11 0.30 -0.17 0.14 0.32 0.01 -0.02 0.01 0.00 -0.03 0.01 -0.01 0.01 0.00 0.01 0.01 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 0.03 0.02 -0.04 -0.02 -0.02 -0.04 -0.01 -0.02 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.24 0.45 -0.35 0.08 0.34 0.00 0.00 0.01 0.01 -0.00 -0.00 0.02 0.01 0.01 -0.02 -0.04 0.00 -0.01 0.33 -0.09 -0.11 0.07 -0.19 -0.01 0.03 0.11 0.04 -0.08 0.01 0.06 0.04 -0.03 0.08 -0.03 -0.17 0.02 -0.07 0.05 0.04 0.01 -0.01 -0.02 0.10 -0.11 0.01 -0.12 0.06 -0.03 0.00 -0.02 -0.07 -0.12 0.17 -0.03 0.01 0.15 -0.04 0.04 -0.02 -0.02 0.03 -0.04 0.02 -0.16 0.04 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.04 0.02 0.02 -0.02 0.03 0.07 0.08 -0.01 0.17 -0.08 -0.01 0.15 -0.14 -0.30 0.06 -0.12 0.10 0.03 -0.12 0.08 -0.04 -0.04 0.09 0.16 0.13 0.06 0.05 -0.08 0.04 0.02 -0.14 0.08 0.03 -0.15 0.09 -0.11 -0.22 0.31 -0.10 0.04 0.18 0.05 -0.21 -0.02 -0.03 -0.03 -0.00 -0.03 -0.02 -0.01 0.01 0.00 0.03 0.02 0.01 -0.01 0.05 0.03 0.01 -0.05 -0.03 -0.01 0.01 -0.07 0.07 -0.15 0.06 -0.03 -0.01 -0.01 -0.02 -0.01 0.00 0.01 0.01 0.02 0.02 0.14 0.07 0.10 0.02 -0.02 0.02 0.15 0.07 -0.05 -0.08 0.01 0.05 0.00 -0.04 0.02 -0.06 -0.05 -0.03 0.04 0.01 -0.06 0.04 -0.03 -0.05 -0.10 0.17 -0.08 -0.05 -0.09 -0.04 -0.03 0.03 0.01 -0.06 -0.04 0.02 -0.07 0.01 -0.08 0.00 -0.09 0.04 0.01 -0.00 0.03 0.02 -0.03 0.03 0.37 0.00 0.34 0.15 -0.22 -0.11 0.02 -0.06 0.01 0.06 -0.05 0.03 0.38 0.16 -0.21 0.09 -0.20 -0.11 -0.00 -0.04 0.03 0.01 -0.04 0.02 -0.00 -0.05 0.02 0.12 0.01 -0.12 0.09 -0.05 -0.08 -0.06 0.06 0.04 -0.06 -0.15 0.04 -0.17 0.15 -0.14 -0.00 0.03 0.00 0.01 -0.02 0.01 0.02 0.01 0.01 -0.02 -0.02 -0.01 0.00 -0.03 0.03 -0.07 0.03 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.01 0.06 0.03 0.04 0.01 -0.01 0.01 0.07 0.03 -0.02 -0.04 0.01 0.02 0.00 -0.02 0.01 -0.03 -0.01 -0.01 0.02 0.00 -0.03 0.02 -0.01 -0.02 0.03 -0.30 0.14 -0.11 0.34 -0.19 -0.02 0.01 0.00 -0.06 0.11 -0.05 0.00 -0.12 0.03 0.00 -0.04 0.01 0.01 0.00 0.01 0.01 -0.01 0.01 0.16 0.00 0.15 0.07 -0.10 -0.05 0.01 -0.03 0.01 0.03 -0.03 0.02 0.17 0.06 -0.09 0.04 -0.08 -0.05 0.00 -0.02 0.01 0.00 -0.02 0.01 -0.00 -0.02 0.01 0.06 0.00 -0.06 0.05 -0.03 -0.04 -0.03 0.03 0.02 -0.15 0.44 -0.23 0.06 -0.47 0.19 -0.03 0.02 0.05 -0.01 0.02 0.05 0.03 -0.01 -0.03 -0.09 0.08 0.18 0.01 0.03 -0.04 0.02 -0.09 0.02 0.04 -0.01 -0.01 0.01 0.02 -0.01 -0.04 -0.08 0.02 0.02 0.01 0.04 0.00 0.02 -0.00 0.01 0.03 0.04 0.04 -0.04 -0.03 -0.00 0.04 -0.02 0.08 -0.09 -0.19 -0.06 0.02 0.06 -0.04 0.03 0.03 0.25 0.02 -0.07 -0.14 -0.12 -0.23 0.04 -0.01 -0.02 0.22 0.09 0.04 -0.23 -0.10 -0.13 -0.04 -0.00 0.10 -0.05 -0.10 0.05 -0.02 -0.04 0.05 0.03 0.05 -0.07 0.00 0.08 0.10 -0.02 0.04 -0.03 -0.01 0.05 -0.03 0.03 0.10 -0.10 0.04 -0.13 0.03 -0.04 -0.01 -0.02 -0.02 0.07 -0.05 -0.02 0.06 -0.04 -0.11 0.03 0.09 -0.12 0.07 0.07 0.08 -0.03 -0.06 0.32 0.21 0.15 -0.44 -0.10 -0.11 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.02 -0.01 -0.02 -0.01 0.06 -0.01 -0.07 0.04 0.00 0.18 -0.03 -0.09 0.02 0.02 -0.01 -0.04 0.02 0.09 0.19 -0.06 -0.06 -0.03 -0.06 -0.01 -0.04 0.01 -0.08 -0.06 0.04 -0.04 0.09 0.04 0.01 -0.09 0.05 0.03 0.05 -0.08 0.11 -0.05 -0.10 0.07 -0.07 -0.05 0.10 -0.01 -0.01 -0.01 -0.05 -0.03 -0.07 -0.00 0.05 0.11 -0.03 0.04 -0.03 -0.07 0.01 -0.04 0.16 -0.04 0.12 0.24 -0.12 0.04 0.13 -0.12 -0.08 -0.10 0.13 0.00 -0.14 -0.18 0.03 -0.10 0.06 0.03 -0.11 0.05 -0.19 -0.10 0.11 0.00 0.05 0.09 0.09 0.03 0.02 0.05 -0.16 0.10 0.05 -0.14 0.10 0.20 -0.07 -0.16 0.23 -0.14 -0.14 -0.15 0.04 0.12 0.18 -0.16 0.17 -0.03 -0.23 0.09 0.01 0.01 0.01 0.01 0.01 -0.01 0.03 0.00 0.02 0.01 -0.02 -0.01 0.01 0.02 -0.02 -0.02 -0.06 0.00 0.04 -0.01 -0.01 0.00 0.01 -0.01 -0.03 -0.06 0.02 0.08 0.03 0.06 0.01 0.01 0.00 0.08 -0.02 0.02 0.01 -0.03 -0.02 -0.00 0.03 -0.01 -0.06 0.11 -0.06 -0.05 0.02 0.04 -0.03 0.02 0.02 -0.07 -0.02 0.00 -0.03 -0.03 -0.01 0.03 0.00 -0.02 -0.05 -0.15 0.06 -0.00 -0.14 0.03 -0.09 0.30 -0.16 -0.05 -0.09 0.05 -0.01 -0.04 0.05 0.07 0.06 -0.02 0.10 0.09 0.09 -0.01 0.02 -0.02 -0.00 0.03 -0.01 0.16 0.01 -0.03 0.04 -0.09 -0.01 -0.03 -0.02 -0.01 -0.01 0.05 -0.03 -0.02 0.04 -0.03 -0.07 0.02 0.06 -0.09 0.05 0.05 0.06 -0.01 -0.04 0.01 -0.54 0.21 0.06 -0.51 0.20 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 0.01 -0.01 0.10 0.04 0.05 -0.13 -0.01 -0.21 0.04 0.14 0.07 0.02 -0.05 -0.06 -0.14 0.04 0.05 -0.01 -0.11 0.00 0.02 -0.00 0.06 0.01 -0.02 -0.05 -0.07 0.01 -0.00 0.05 -0.03 -0.00 -0.00 -0.00 0.23 -0.05 -0.07 0.05 0.04 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.14 0.04 0.08 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.16 -0.20 0.12 0.01 -0.02 0.12 -0.04 0.04 -0.30 0.04 0.17 0.03 -0.01 0.07 -0.02 -0.06 0.08 -0.03 -0.05 -0.02 0.05 0.15 0.12 0.03 -0.05 -0.03 -0.02 -0.03 0.11 -0.06 -0.03 0.08 -0.06 0.32 -0.06 -0.14 0.32 0.03 -0.15 -0.38 0.05 0.18 -0.00 -0.02 0.01 -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.03 -0.04 -0.11 -0.00 0.03 0.03 0.05 0.01 -0.02 0.24 -0.08 -0.12 0.01 0.03 -0.01 -0.04 0.03 0.15 -0.00 -0.00 -0.00 -0.03 -0.01 0.03 0.02 0.05 -0.08 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.07 -0.04 -0.04 -0.17 0.04 0.11 -0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.17 0.01 0.10 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.10 0.07 -0.07 -0.03 -0.04 -0.07 -0.01 0.03 0.14 -0.02 -0.01 0.11 -0.01 -0.02 -0.01 0.02 -0.02 -0.00 0.11 0.05 -0.09 -0.16 -0.17 -0.05 0.01 0.01 0.00 0.01 -0.03 0.02 0.00 -0.01 0.01 0.08 -0.06 -0.02 -0.47 0.10 0.27 -0.48 0.09 0.27 -0.02 0.02 -0.02 -0.01 0.02 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.03 -0.04 0.02 -0.07 0.00 0.22 -0.03 0.01 -0.05 0.14 -0.08 -0.09 0.12 -0.01 -0.07 -0.00 0.01 0.00 0.03 -0.03 -0.25 0.01 0.00 0.01 0.04 0.03 -0.05 0.03 -0.08 0.19 -0.00 -0.01 0.00 0.01 -0.03 0.01 -0.05 0.07 -0.03 -0.15 0.01 -0.00 0.02 0.04 -0.00 0.01 0.04 -0.01 -0.05 0.08 0.01 0.04 -0.00 0.01 0.03 -0.01 0.02 0.02 0.03 -0.00 -0.12 -0.05 0.09 0.06 0.08 0.08 0.05 -0.07 -0.13 0.01 -0.08 -0.25 0.02 0.01 0.03 -0.01 -0.00 0.02 -0.16 -0.08 0.15 0.27 0.27 0.07 -0.00 -0.02 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.09 0.13 -0.06 -0.50 0.10 0.19 -0.13 0.14 0.08 0.06 -0.05 0.04 0.04 -0.05 0.04 0.01 0.02 0.02 0.03 0.01 -0.01 0.07 0.02 0.02 0.13 0.15 0.00 -0.02 -0.00 0.06 -0.02 0.03 -0.03 0.03 -0.02 -0.02 0.01 -0.00 -0.00 0.02 0.05 -0.02 0.07 -0.07 -0.03 -0.00 -0.00 -0.00 0.05 -0.13 0.08 0.02 -0.00 0.06 -0.00 -0.02 0.01 -0.01 0.24 -0.09 -0.01 0.01 -0.02 -0.02 -0.01 -0.01 -0.05 -0.21 0.02 -0.06 -0.20 0.06 0.00 0.01 -0.00 -0.16 0.02 -0.08 -0.15 0.02 -0.08 -0.11 -0.12 -0.01 -0.00 0.04 -0.00 0.03 0.05 -0.01 -0.26 -0.03 -0.23 0.25 0.28 0.09 0.02 -0.00 0.03 -0.01 -0.03 0.02 -0.22 -0.15 0.10 0.04 0.06 0.10 0.01 0.01 0.01 -0.00 -0.04 0.03 0.01 -0.02 0.02 -0.08 0.04 0.01 -0.06 -0.00 0.01 -0.02 0.03 0.02 -0.21 0.22 -0.19 -0.22 0.23 -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 0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.08 0.02 0.06 0.04 -0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.05 0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.01 0.01 0.01 0.01 -0.02 0.01 -0.02 0.01 0.01 -0.01 0.01 0.01 0.01 -0.02 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.76 -0.19 -0.46 -0.14 0.04 0.08 0.29 -0.08 -0.17 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.02 0.00 -0.01 -0.02 0.00 -0.00 -0.02 0.01 0.01 0.00 -0.00 0.00 -0.02 0.00 0.04 0.01 -0.01 -0.02 -0.02 0.03 0.06 0.01 0.00 -0.00 0.07 0.01 0.02 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.38 -0.05 -0.05 -0.26 -0.14 -0.25 -0.01 -0.00 -0.04 0.01 0.02 0.00 -0.30 -0.29 -0.31 0.50 0.06 -0.15 -0.02 -0.01 0.01 0.02 0.03 0.00 0.02 -0.05 -0.08 0.12 0.16 -0.16 -0.05 -0.24 -0.04 0.04 -0.01 -0.04 0.00 -0.02 -0.01 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.15 0.02 -0.05 -0.13 0.02 -0.07 -0.12 0.03 0.05 0.01 -0.02 0.01 -0.02 -0.02 -0.03 -0.02 0.02 0.06 0.05 -0.02 -0.03 -0.03 0.00 0.02 0.56 0.00 0.12 0.01 -0.02 -0.00 0.02 -0.04 0.01 -0.04 0.01 -0.06 -0.03 -0.05 -0.04 -0.01 0.01 -0.03 0.01 0.02 -0.02 0.01 0.02 0.01 -0.02 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.20 0.01 0.02 0.12 0.02 0.14 0.03 0.03 0.05 0.04 0.02 0.01 0.23 0.21 0.20 -0.30 -0.06 0.13 0.08 0.06 -0.09 -0.13 -0.13 -0.03 -0.06 -0.04 0.08 -0.11 -0.11 0.11 0.02 0.20 0.01 0.14 -0.01 -0.20 0.08 -0.13 -0.11 0.06 0.06 0.03 -0.01 -0.02 0.01 0.00 -0.02 0.02 -0.01 -0.01 -0.04 -0.04 0.01 0.01 -0.07 -0.03 -0.02 -0.17 -0.20 -0.01 -0.02 0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.00 0.01 -0.00 0.01 0.00 -0.02 -0.05 0.01 0.07 0.10 0.03 0.00 0.00 0.01 0.02 0.01 0.01 0.06 -0.03 0.01 0.00 0.01 -0.00 -0.21 0.37 -0.23 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.08 -0.13 0.20 0.14 -0.19 0.05 0.01 0.01 -0.00 0.08 0.14 0.08 0.14 0.08 -0.06 0.22 0.03 0.10 -0.05 -0.07 0.04 -0.00 0.01 0.03 0.34 0.07 0.18 0.01 -0.15 -0.11 -0.03 -0.05 -0.02 0.05 0.04 -0.03 0.29 0.02 0.01 0.04 -0.13 0.00 -0.01 -0.04 -0.02 0.02 0.07 -0.05 -0.02 -0.03 -0.02 -0.07 0.03 0.04 0.05 -0.01 -0.04 -0.04 0.02 0.02 0.01 0.21 -0.03 0.04 0.19 -0.10 -0.00 -0.06 -0.13 0.11 -0.02 -0.09 0.01 -0.00 -0.02 0.02 0.00 -0.02 -0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.02 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.05 0.01 0.00 0.00 -0.00 0.00 -0.16 0.11 0.34 0.00 -0.00 -0.01 0.02 -0.01 -0.02 0.04 0.22 0.42 -0.39 0.04 0.27 0.01 -0.00 0.00 0.30 0.05 -0.04 -0.19 -0.14 -0.20 0.00 -0.01 -0.03 0.02 0.01 -0.01 -0.02 -0.03 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 0.01 0.02 -0.00 -0.01 -0.02 0.01 -0.01 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.02 -0.00 -0.04 0.01 0.02 -0.10 0.01 0.05 -0.03 0.01 0.03 0.21 -0.03 -0.15 -0.04 -0.13 -0.23 -0.00 -0.01 -0.02 -0.02 -0.00 0.01 -0.04 -0.02 -0.01 -0.02 0.13 -0.06 0.00 0.00 0.02 -0.03 -0.01 -0.02 0.03 -0.02 -0.01 0.02 -0.01 -0.01 0.03 0.06 -0.02 0.11 -0.08 0.06 -0.01 0.00 -0.01 0.02 -0.08 0.04 -0.02 -0.01 0.01 -0.01 -0.01 -0.00 -0.05 -0.10 0.02 -0.00 0.01 -0.00 -0.09 0.02 0.05 -0.04 0.07 0.08 0.03 0.01 -0.09 -0.02 0.01 0.01 -0.04 0.03 0.13 0.07 -0.05 -0.11 0.16 0.07 0.05 0.03 0.04 -0.00 0.03 0.04 -0.02 -0.25 -0.01 -0.24 0.29 0.34 0.25 0.01 -0.01 0.02 -0.01 -0.04 0.02 -0.21 -0.07 0.02 -0.07 0.04 0.01 0.03 0.06 -0.01 0.01 -0.06 0.03 0.02 -0.02 0.03 0.05 -0.00 -0.04 0.46 -0.08 -0.24 0.18 -0.03 -0.10 -0.13 0.01 0.01 -0.07 -0.03 -0.11 0.00 0.00 0.00 0.01 0.00 -0.01 0.01 0.00 0.00 0.01 -0.04 0.02 0.00 0.00 0.00 0.01 -0.00 0.00 0.04 -0.02 -0.02 0.03 -0.02 -0.02 -0.00 -0.01 -0.00 -0.04 0.03 -0.02 -0.00 0.00 0.00 -0.01 0.02 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.03 0.00 -0.00 0.01 0.00 -0.14 0.03 0.08 0.01 -0.02 -0.01 -0.02 -0.00 0.03 -0.03 0.01 0.01 0.02 -0.01 -0.04 -0.03 0.01 0.03 -0.05 -0.02 -0.02 -0.01 -0.01 0.01 0.00 0.01 0.01 0.08 0.01 0.08 -0.09 -0.11 -0.08 -0.01 -0.02 -0.00 0.01 0.01 -0.01 0.06 0.02 -0.01 0.02 -0.02 -0.00 0.00 -0.01 -0.01 0.01 0.02 -0.02 -0.00 -0.02 -0.00 0.05 0.00 -0.04 0.78 -0.15 -0.41 0.28 -0.05 -0.16 0.04 -0.01 -0.01 0.02 0.00 0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.01 -0.04 -0.02 -0.01 0.06 0.07 0.02 0.05 -0.02 0.00 -0.04 0.01 -0.11 -0.06 0.08 -0.01 -0.01 -0.06 0.06 -0.02 -0.01 0.07 0.01 -0.04 0.00 0.11 -0.01 0.04 -0.03 -0.02 -0.00 0.01 -0.01 -0.01 -0.02 -0.04 0.01 -0.01 0.03 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.03 -0.02 0.01 -0.02 0.03 0.01 0.00 0.00 -0.03 0.03 -0.00 0.01 0.22 0.02 -0.09 -0.28 -0.28 -0.12 -0.09 -0.04 -0.02 -0.03 -0.01 -0.04 0.03 0.33 -0.08 -0.07 -0.13 0.12 -0.06 -0.06 0.11 0.21 0.20 0.04 -0.18 -0.16 0.20 -0.19 -0.12 0.14 0.01 0.43 -0.09 -0.05 -0.07 0.03 0.02 -0.06 0.02 0.15 -0.01 -0.04 -0.00 -0.12 0.06 -0.00 -0.08 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.00 0.01 -0.01 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 0.02 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.03 -0.02 -0.01 0.02 -0.01 -0.00 -0.00 0.00 0.03 -0.12 0.05 0.02 -0.09 0.05 -0.02 0.07 -0.03 0.02 -0.00 -0.01 -0.04 -0.03 -0.01 0.01 -0.00 0.01 -0.01 -0.02 -0.02 0.00 0.04 -0.01 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.03 0.02 0.01 -0.03 -0.03 0.03 -0.02 -0.01 0.01 -0.00 0.05 -0.02 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.03 -0.00 -0.01 -0.15 0.67 -0.32 -0.12 0.54 -0.25 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.07 -0.02 -0.04 0.04 -0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.13 0.04 0.07 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.00 0.01 0.04 0.03 0.02 0.02 0.00 0.01 0.00 0.00 0.01 0.00 -0.04 0.01 0.00 0.02 -0.02 0.01 0.01 -0.01 -0.03 -0.03 -0.01 0.02 0.01 -0.02 0.02 0.02 -0.02 -0.00 -0.05 0.01 -0.32 0.07 0.22 -0.23 0.04 0.11 0.73 -0.16 -0.41 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 -0.01 0.04 -0.02 0.00 0.00 -0.00 -0.02 0.09 -0.05 0.03 -0.12 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 0.00 -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 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.13 -0.55 0.26 -0.15 0.68 -0.32 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.02 -0.01 -0.00 0.01 -0.01 -0.03 -0.04 -0.00 -0.01 -0.02 0.01 0.00 0.02 -0.00 0.10 0.04 0.11 0.02 -0.01 0.00 -0.09 -0.03 -0.04 0.01 0.01 -0.01 0.01 -0.04 -0.00 -0.04 0.04 -0.09 -0.01 0.01 -0.01 0.01 0.00 0.02 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 0.01 0.02 -0.01 -0.02 -0.00 0.01 0.03 -0.02 -0.01 -0.01 0.38 -0.03 0.06 -0.07 -0.12 -0.09 0.01 0.01 -0.06 -0.00 0.04 0.06 -0.08 0.10 -0.04 -0.02 -0.34 0.19 0.01 0.01 0.00 0.02 0.03 -0.01 0.18 0.53 -0.02 -0.01 -0.37 0.27 0.14 0.17 0.13 0.00 0.03 -0.00 -0.01 0.01 -0.01 0.00 -0.02 -0.02 0.04 0.02 -0.01 0.02 0.02 0.02 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.01 0.20 0.00 0.09 -0.00 0.00 -0.01 0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.07 -0.04 0.03 -0.20 0.06 -0.08 -0.06 -0.02 -0.01 0.03 0.07 0.00 0.02 -0.01 -0.00 -0.03 0.05 -0.03 0.06 0.02 0.02 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.05 0.01 0.05 0.00 -0.03 -0.06 -0.00 0.00 0.00 -0.15 0.02 0.13 0.00 -0.09 -0.18 0.10 0.04 0.04 0.01 -0.05 0.05 0.11 -0.04 0.08 0.12 -0.03 0.24 -0.36 -0.36 -0.26 -0.02 -0.12 0.04 -0.03 -0.03 -0.01 0.21 0.08 -0.01 0.14 -0.06 0.04 0.15 0.27 -0.12 0.09 -0.03 0.00 0.04 -0.14 0.08 -0.00 0.02 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.01 -0.24 -0.02 0.03 -0.15 -0.08 -0.17 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.06 -0.06 -0.13 0.17 0.38 0.13 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.09 -0.21 -0.06 -0.07 0.12 -0.14 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.07 -0.22 0.24 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.02 -0.02 -0.02 0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.02 0.01 0.02 -0.01 0.01 0.02 -0.01 -0.00 -0.01 0.01 0.02 0.01 0.00 -0.03 -0.07 0.02 -0.02 0.02 -0.01 -0.01 0.02 -0.02 -0.13 0.10 -0.33 -0.09 -0.29 -0.18 -0.08 -0.54 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 -0.04 0.01 -0.01 -0.00 -0.04 -0.01 -0.04 0.04 0.05 0.02 0.08 -0.03 0.01 -0.03 0.03 0.07 -0.13 0.01 0.01 -0.03 0.01 -0.06 -0.04 -0.01 0.07 -0.00 -0.05 0.02 0.13 0.01 -0.05 0.09 -0.00 -0.02 0.00 -0.01 -0.05 -0.03 -0.07 0.02 0.01 0.04 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.04 0.00 0.03 -0.00 -0.02 0.00 0.01 0.03 -0.01 -0.01 -0.00 -0.18 -0.05 0.04 0.25 -0.15 0.26 -0.15 -0.03 -0.03 0.03 0.06 0.06 0.06 -0.29 0.17 -0.15 0.12 -0.11 -0.11 -0.10 0.13 0.18 0.25 0.02 0.19 0.26 -0.23 0.19 0.14 -0.13 0.00 -0.33 0.08 -0.02 -0.12 -0.02 0.03 -0.06 0.04 0.03 0.04 0.07 0.04 0.01 -0.01 0.02 0.02 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 0.04 0.01 0.01 -0.05 -0.07 -0.04 0.05 -0.02 -0.06 0.02 -0.01 0.02 -0.02 0.02 0.11 -0.05 -0.08 -0.08 0.09 0.03 0.05 -0.03 0.16 0.06 -0.13 0.03 -0.06 -0.02 -0.01 -0.06 0.04 -0.01 0.03 -0.01 0.05 0.03 0.08 -0.03 -0.02 -0.05 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.03 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 0.17 -0.08 0.04 0.02 -0.01 -0.31 -0.08 0.03 -0.29 -0.03 0.29 0.07 0.02 0.03 -0.02 0.11 -0.05 -0.06 -0.13 0.26 0.36 0.50 0.01 -0.02 -0.11 0.01 0.01 -0.00 -0.02 -0.03 -0.12 0.02 0.04 0.12 0.02 -0.03 0.01 -0.05 -0.05 -0.08 -0.08 0.00 0.02 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.05 0.08 -0.06 0.01 -0.00 -0.04 0.01 0.11 0.02 -0.01 -0.06 0.00 0.00 0.05 -0.03 -0.05 -0.07 0.02 -0.03 0.06 -0.04 -0.00 -0.15 0.06 0.06 -0.12 0.07 0.00 0.02 -0.02 0.04 0.13 -0.03 -0.01 -0.03 0.00 0.13 0.04 0.22 -0.12 -0.12 -0.16 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 0.07 -0.00 0.02 0.00 -0.01 0.00 0.01 0.02 0.00 0.00 0.00 -0.08 0.08 -0.08 -0.04 -0.11 0.04 -0.04 -0.05 0.28 0.09 -0.10 -0.25 0.06 -0.22 0.14 -0.06 -0.14 0.06 0.01 -0.12 0.07 0.05 -0.00 0.07 0.04 0.08 -0.07 0.06 0.21 -0.11 0.02 0.09 -0.06 0.15 -0.02 0.28 -0.14 -0.30 -0.19 -0.16 -0.19 -0.20 0.02 -0.01 -0.01 0.01 -0.00 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.06 -0.05 0.00 -0.01 -0.01 0.02 0.03 0.03 0.00 0.01 -0.01 0.00 0.01 0.00 0.07 -0.09 0.08 -0.03 0.04 -0.05 -0.01 0.24 -0.13 0.05 -0.08 0.09 0.01 0.02 -0.00 -0.10 -0.18 0.06 -0.01 -0.02 -0.00 0.03 0.00 0.05 -0.03 -0.03 -0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.01 0.02 -0.00 -0.01 0.00 0.01 0.02 0.00 0.00 0.00 0.14 -0.14 0.10 0.13 -0.20 0.16 0.05 -0.02 0.12 0.04 -0.09 -0.19 -0.04 0.32 -0.18 -0.09 0.37 -0.21 0.10 -0.02 -0.01 0.02 -0.13 0.07 0.01 -0.04 0.00 -0.02 -0.28 0.11 -0.04 -0.32 0.14 0.05 -0.09 0.13 -0.04 -0.13 -0.05 -0.03 -0.03 -0.04 0.01 -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 -0.08 0.12 -0.10 -0.00 0.02 0.00 0.01 -0.05 -0.00 -0.01 -0.02 0.02 -0.01 -0.03 -0.01 -0.00 0.06 -0.04 -0.16 0.01 -0.03 -0.00 -0.04 0.03 0.21 -0.11 0.16 0.01 -0.06 -0.01 0.03 0.02 -0.01 -0.04 -0.03 -0.01 -0.06 -0.00 -0.11 0.07 0.08 0.09 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.05 0.02 0.05 -0.00 -0.04 0.01 0.03 0.05 0.01 0.00 0.00 -0.02 0.02 -0.01 -0.03 0.13 -0.08 -0.03 -0.07 0.24 -0.19 -0.24 -0.18 -0.02 -0.05 0.01 0.06 -0.10 0.06 0.33 -0.06 0.09 0.21 -0.12 0.14 -0.02 -0.01 0.03 -0.02 0.03 -0.00 0.01 0.11 -0.04 -0.14 0.26 -0.29 0.11 0.34 0.11 0.08 0.06 0.10 0.03 -0.03 -0.06 -0.03 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 0.02 0.00 0.00 -0.02 0.01 0.06 -0.01 -0.00 -0.07 0.02 -0.04 -0.05 -0.06 -0.00 -0.06 0.03 0.05 0.07 0.03 -0.00 0.01 -0.01 -0.05 -0.06 -0.06 0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.02 -0.00 0.01 0.02 0.05 0.01 0.02 0.03 0.01 0.01 -0.01 -0.02 -0.01 0.01 0.02 0.02 -0.05 0.07 -0.01 0.01 0.02 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.02 -0.06 0.02 0.01 -0.05 0.04 0.02 0.02 0.18 0.10 -0.03 -0.09 -0.02 0.03 -0.03 -0.02 0.03 -0.02 -0.21 -0.15 0.11 -0.05 0.18 -0.03 0.01 0.02 -0.01 0.00 -0.02 0.01 -0.00 -0.02 0.01 -0.13 0.65 -0.41 0.05 0.31 0.02 -0.05 -0.20 -0.03 0.02 0.03 0.06 0.06 -0.00 -0.03 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.04 -0.02 0.00 0.00 -0.01 -0.01 -0.02 0.00 0.06 -0.00 -0.02 0.00 -0.03 -0.03 -0.03 -0.01 0.03 0.02 0.01 -0.10 -0.08 0.01 -0.02 -0.03 -0.01 0.10 0.07 0.00 0.07 -0.00 -0.01 0.01 0.02 -0.04 -0.01 -0.02 0.03 0.04 0.04 -0.01 -0.00 -0.01 -0.02 0.03 0.08 0.05 -0.02 -0.07 0.01 -0.03 0.04 0.03 -0.02 -0.06 -0.03 0.02 0.07 0.00 0.00 -0.00 0.03 0.17 -0.10 -0.01 -0.19 0.05 0.03 -0.02 -0.30 -0.01 0.12 0.09 0.10 -0.02 0.09 -0.12 0.05 -0.04 0.16 0.25 -0.23 0.02 -0.31 0.04 0.02 -0.03 -0.05 0.05 0.08 -0.06 -0.03 -0.10 0.00 -0.04 0.40 -0.22 -0.00 0.06 -0.01 -0.10 -0.21 -0.09 -0.10 -0.13 -0.23 -0.25 -0.00 0.10 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.07 0.02 0.05 -0.00 0.01 0.01 0.03 0.02 -0.06 0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.05 -0.01 -0.01 0.07 0.07 -0.01 0.02 0.03 -0.03 -0.04 -0.08 -0.00 -0.03 0.00 0.00 -0.01 -0.02 -0.04 -0.02 -0.01 -0.01 -0.01 -0.02 0.00 0.00 0.00 -0.03 0.06 0.14 0.10 -0.04 -0.12 -0.01 0.01 -0.02 0.05 -0.04 -0.10 -0.05 0.04 0.10 0.00 0.00 0.00 -0.03 -0.17 0.09 0.02 0.15 -0.03 -0.04 0.02 0.22 0.04 -0.07 -0.07 -0.09 0.02 -0.08 0.11 -0.03 0.03 -0.18 -0.18 0.17 0.01 0.23 -0.03 -0.01 0.04 0.04 -0.04 -0.09 0.06 0.03 0.10 0.00 0.01 -0.13 0.07 -0.01 -0.02 0.01 0.03 0.07 0.03 -0.19 -0.24 -0.41 -0.48 -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 0.01 0.00 -0.01 0.02 0.01 0.03 -0.00 -0.00 0.00 -0.02 -0.01 -0.04 -0.16 0.01 -0.05 0.01 0.00 -0.01 0.19 0.05 0.05 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.12 -0.01 -0.04 0.00 -0.00 -0.00 -0.01 -0.03 -0.00 -0.01 0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.04 0.01 0.06 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.00 -0.07 -0.13 -0.08 0.00 0.01 0.00 -0.01 0.01 0.02 -0.01 0.26 -0.14 0.16 0.22 -0.12 0.18 -0.00 0.01 -0.01 -0.00 -0.02 0.00 0.20 0.43 -0.15 0.16 -0.31 0.13 0.10 -0.27 0.25 0.01 -0.08 0.03 0.01 0.12 -0.04 0.15 0.19 0.20 -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 0.01 0.00 -0.02 -0.02 0.01 0.01 -0.00 -0.01 0.00 -0.06 -0.02 -0.09 0.05 0.01 0.04 0.01 0.00 -0.01 -0.06 -0.03 -0.03 -0.01 0.00 -0.00 -0.01 -0.02 -0.00 0.04 0.01 0.03 0.00 0.00 -0.00 -0.01 -0.07 0.01 -0.04 0.03 -0.09 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.09 0.03 0.16 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 0.00 0.06 0.10 -0.03 0.03 -0.06 0.02 -0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.04 0.05 -0.02 -0.14 0.06 -0.08 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.06 -0.16 0.02 -0.03 0.15 -0.07 -0.05 0.04 -0.09 0.04 -0.22 0.11 0.01 0.31 -0.10 0.38 0.49 0.50 -0.02 -0.02 -0.03 -0.03 -0.00 0.01 0.00 0.01 0.02 0.02 -0.00 -0.01 -0.03 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.01 -0.02 -0.01 0.04 -0.01 -0.01 0.00 0.02 0.01 0.03 -0.01 0.04 0.03 0.04 0.04 -0.02 0.01 -0.02 -0.04 -0.02 -0.03 -0.02 0.01 -0.04 -0.01 -0.01 0.01 0.03 0.06 0.02 0.02 -0.01 -0.00 -0.02 0.02 0.01 0.03 -0.02 -0.08 -0.17 -0.15 0.02 0.11 -0.02 0.01 -0.04 0.01 -0.04 -0.08 -0.06 0.02 0.06 0.27 0.11 0.09 0.06 0.17 -0.09 -0.05 -0.13 0.01 0.10 0.03 0.02 0.01 -0.01 -0.03 0.09 0.02 0.07 -0.11 0.01 -0.01 -0.07 -0.04 0.01 -0.07 0.07 -0.03 0.02 -0.03 -0.05 0.05 0.09 -0.06 -0.03 -0.11 0.00 -0.01 -0.05 0.01 0.03 0.02 0.03 -0.03 -0.00 -0.05 -0.25 -0.26 -0.43 -0.54 -0.05 0.16 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.01 0.02 0.01 0.01 0.02 -0.04 -0.05 -0.03 0.09 -0.02 -0.05 0.01 0.04 0.04 0.05 -0.03 0.09 0.09 0.06 0.10 -0.06 0.03 -0.05 -0.09 -0.04 -0.07 -0.03 0.01 -0.12 -0.02 -0.02 0.03 0.06 -0.00 -0.01 0.00 -0.03 -0.02 -0.05 0.04 0.03 0.06 0.01 0.04 0.07 0.06 -0.01 -0.05 -0.04 0.02 -0.08 -0.01 0.01 0.02 0.01 -0.00 -0.02 -0.09 -0.03 -0.03 0.15 0.41 -0.21 -0.12 -0.33 0.02 0.19 0.05 0.11 0.07 -0.03 -0.15 0.22 0.04 0.16 -0.27 0.02 -0.04 -0.15 -0.13 0.06 -0.04 0.06 -0.01 0.04 -0.07 -0.11 0.12 0.20 -0.13 -0.07 -0.24 0.01 -0.01 -0.15 0.04 0.06 0.10 0.07 -0.01 0.07 -0.05 0.04 0.05 0.09 0.10 0.00 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.01 0.00 0.02 -0.00 0.07 0.17 -0.12 -0.00 -0.13 0.06 0.04 0.04 0.07 -0.03 -0.08 0.08 -0.05 -0.08 0.07 0.02 -0.03 -0.04 0.02 0.11 0.04 -0.01 -0.06 -0.02 -0.02 0.02 0.03 -0.02 0.00 -0.01 -0.03 -0.02 -0.04 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.03 0.04 -0.08 0.01 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.12 -0.07 0.02 -0.09 -0.06 -0.02 -0.57 -0.17 0.15 0.19 0.08 -0.01 0.06 0.10 0.00 -0.14 -0.01 -0.00 -0.09 0.23 -0.20 0.16 -0.15 0.07 0.04 -0.00 -0.07 0.07 0.08 -0.06 -0.04 -0.11 0.01 -0.03 -0.08 -0.00 0.07 0.38 -0.00 0.04 0.15 -0.00 0.02 0.01 0.01 0.04 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.05 -0.04 -0.11 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.08 0.05 0.06 -0.11 -0.03 -0.00 -0.00 0.00 -0.00 -0.05 0.00 0.03 0.01 0.02 0.05 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.44 -0.31 -0.44 0.67 0.13 -0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.06 -0.06 0.01 0.13 -0.03 -0.11 0.01 0.04 0.01 0.06 0.03 -0.02 -0.07 0.04 0.02 -0.06 -0.05 0.06 0.11 -0.02 0.01 0.01 0.02 0.02 -0.01 0.04 -0.04 -0.08 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.02 0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.23 0.13 -0.09 0.21 -0.09 0.18 -0.01 -0.02 0.03 0.10 0.05 -0.07 -0.17 -0.26 -0.03 0.22 0.19 -0.09 -0.18 0.08 -0.14 0.16 -0.10 0.08 -0.07 0.07 0.17 -0.16 -0.21 0.14 0.10 0.28 -0.01 0.01 -0.10 0.06 0.08 0.44 -0.01 0.00 0.07 -0.03 0.03 0.02 0.03 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.02 0.02 -0.00 -0.01 0.01 0.01 -0.02 -0.03 -0.01 -0.07 0.02 0.04 -0.02 0.08 -0.01 0.00 -0.00 -0.02 -0.03 0.00 0.01 -0.01 -0.02 0.01 -0.03 -0.02 -0.00 0.12 0.01 -0.01 0.01 0.01 0.02 0.00 0.01 -0.00 0.01 -0.01 -0.03 -0.01 -0.06 0.01 0.00 0.01 0.01 0.00 -0.00 -0.01 0.02 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.06 -0.12 0.06 -0.02 0.03 -0.02 0.27 0.09 -0.26 -0.10 -0.02 0.07 0.03 0.05 0.00 -0.03 -0.05 0.03 0.40 -0.15 0.25 -0.36 0.17 -0.16 0.01 -0.02 -0.03 0.03 0.03 -0.02 -0.02 -0.05 0.00 0.02 -0.11 0.08 0.07 0.54 -0.07 -0.04 -0.04 -0.06 -0.03 -0.02 -0.02 -0.04 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 0.00 -0.15 -0.05 -0.04 0.00 0.01 -0.01 0.01 0.05 -0.00 0.02 -0.00 0.04 -0.00 0.02 -0.02 0.00 -0.02 0.01 0.00 -0.03 -0.02 -0.01 0.01 0.03 0.05 0.00 0.03 -0.01 -0.04 -0.01 0.01 -0.01 -0.03 0.22 0.09 0.09 -0.01 -0.02 -0.01 0.00 -0.00 0.01 0.11 0.05 0.04 0.11 0.04 0.02 -0.01 -0.01 -0.02 -0.09 -0.01 0.03 -0.02 -0.04 -0.08 -0.08 -0.02 -0.02 -0.04 0.12 -0.08 0.04 -0.12 0.08 -0.11 -0.05 0.01 0.01 0.03 0.02 -0.03 -0.12 0.02 0.01 0.13 -0.07 0.10 0.03 -0.01 -0.34 0.09 -0.14 -0.02 0.03 0.05 -0.05 -0.06 0.04 0.04 0.08 0.00 -0.04 0.11 -0.11 -0.04 -0.23 0.01 0.07 0.13 0.07 -0.35 -0.20 -0.27 -0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.02 0.03 0.01 0.01 -0.02 0.01 0.03 -0.01 0.06 -0.04 0.14 0.01 0.05 -0.01 -0.00 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.02 -0.00 -0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.01 -0.02 -0.06 -0.02 -0.01 -0.02 -0.04 -0.02 -0.01 -0.01 -0.02 -0.02 -0.01 -0.01 -0.03 -0.01 -0.01 -0.04 -0.01 -0.07 0.02 -0.00 -0.01 0.01 0.01 0.02 0.02 0.01 0.01 -0.02 0.11 -0.06 0.03 -0.13 0.07 0.12 0.03 -0.12 -0.06 0.01 0.06 -0.00 -0.13 0.05 -0.01 0.13 -0.07 0.26 -0.09 0.15 -0.20 0.08 -0.09 -0.02 0.02 0.05 -0.05 -0.05 0.03 0.03 0.07 -0.00 -0.08 0.27 -0.27 -0.11 -0.48 -0.01 0.20 0.38 0.20 0.10 0.06 0.07 0.14 0.03 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.22 0.15 0.42 0.00 0.00 0.00 0.00 0.00 0.01 0.34 0.01 -0.14 -0.15 -0.18 -0.31 0.01 0.00 0.01 -0.16 -0.16 -0.26 0.34 0.04 -0.07 -0.17 0.13 0.36 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.02 -0.00 0.01 0.03 0.00 -0.02 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.03 -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.04 0.04 0.02 0.07 0.01 -0.03 -0.06 -0.03 0.00 -0.03 -0.07 0.15 0.01 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.03 0.01 -0.00 -0.03 -0.02 -0.05 0.04 0.05 -0.02 0.12 0.02 0.01 0.03 0.01 0.01 -0.05 0.02 0.04 0.01 0.00 -0.01 -0.04 -0.02 -0.03 0.01 -0.01 0.08 0.00 -0.01 0.02 0.05 0.04 0.01 0.02 -0.01 -0.00 -0.03 -0.04 -0.03 -0.07 0.03 0.01 0.00 0.02 0.01 0.01 -0.02 -0.01 -0.04 -0.02 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.03 -0.28 0.16 0.01 0.18 -0.07 0.14 0.06 0.00 -0.16 -0.06 0.08 -0.02 0.23 -0.09 0.06 -0.30 0.18 -0.36 0.06 -0.18 0.43 -0.14 0.20 0.02 -0.07 -0.08 0.07 0.10 -0.05 -0.06 -0.13 -0.01 -0.04 0.12 -0.13 -0.05 -0.04 -0.07 0.08 0.16 0.08 -0.06 -0.04 -0.05 -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.02 -0.01 0.01 -0.01 -0.04 0.12 0.16 0.17 0.01 -0.00 0.02 -0.00 0.01 0.05 0.00 0.01 0.01 -0.00 -0.00 0.02 0.00 -0.01 0.00 -0.04 -0.09 -0.01 0.01 -0.02 -0.04 -0.01 -0.00 -0.00 -0.07 0.08 -0.16 -0.09 -0.15 -0.11 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.05 -0.03 0.09 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 -0.12 -0.05 -0.12 0.01 0.00 0.00 0.04 -0.11 -0.03 0.08 0.05 -0.22 0.12 -0.09 0.29 -0.18 -0.09 0.01 -0.03 0.07 -0.02 0.03 -0.02 0.05 0.06 -0.06 -0.07 0.04 0.05 0.11 0.01 0.00 -0.20 0.03 0.02 0.36 -0.13 -0.23 -0.44 -0.20 0.02 0.01 0.01 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.01 0.00 -0.03 -0.01 -0.01 0.08 0.02 0.03 0.05 -0.00 0.01 -0.01 0.02 -0.01 -0.06 -0.01 -0.02 -0.04 -0.01 0.02 -0.01 0.01 0.03 -0.01 -0.00 -0.04 0.00 -0.00 0.02 0.04 -0.01 0.00 -0.01 -0.02 0.01 -0.04 -0.01 -0.03 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 -0.01 -0.01 0.12 -0.03 0.07 -0.25 -0.11 0.15 0.41 0.11 -0.28 -0.12 0.27 -0.17 0.20 -0.38 0.25 0.19 0.01 0.05 -0.32 0.11 -0.15 0.01 -0.06 -0.04 0.04 0.08 -0.03 -0.06 -0.10 -0.01 -0.01 -0.02 -0.01 0.00 0.00 -0.01 -0.04 -0.08 -0.04 0.02 0.01 0.01 0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.05 -0.05 0.02 -0.01 -0.01 0.00 0.06 -0.08 0.07 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 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 -0.22 0.37 -0.21 -0.09 0.27 -0.21 0.07 0.02 -0.06 0.04 0.01 -0.02 -0.20 0.52 -0.34 -0.05 0.26 -0.16 0.03 -0.01 0.02 0.05 -0.01 0.02 0.09 0.19 -0.08 0.13 0.01 -0.06 0.03 0.02 0.10 -0.00 0.02 -0.01 -0.00 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 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.09 0.04 0.01 -0.00 0.02 0.00 -0.01 0.01 -0.00 0.05 0.02 -0.03 0.01 -0.00 0.02 -0.03 -0.01 0.01 0.02 -0.01 0.00 0.06 0.00 -0.00 -0.01 -0.02 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.15 -0.24 0.18 -0.17 0.28 -0.23 -0.15 -0.06 0.16 0.47 0.10 -0.33 0.14 -0.16 0.15 -0.20 0.34 -0.24 -0.01 0.04 -0.03 -0.04 0.07 -0.03 0.01 0.03 -0.00 -0.00 -0.07 0.02 0.03 0.05 0.01 -0.01 0.05 -0.02 -0.02 -0.03 -0.02 0.03 0.04 0.03 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.03 0.04 -0.06 -0.07 0.00 0.04 -0.02 0.02 -0.04 0.05 -0.00 -0.01 0.02 -0.11 -0.02 0.08 -0.02 0.05 -0.01 0.00 0.00 -0.03 -0.00 0.02 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.04 -0.02 0.03 -0.05 0.01 0.00 -0.01 0.01 0.01 0.01 -0.03 -0.05 -0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.10 0.40 -0.24 0.05 -0.25 0.13 0.32 0.08 -0.08 0.47 0.18 -0.23 -0.00 -0.09 0.04 0.12 -0.18 0.13 -0.10 -0.01 -0.01 0.27 0.01 0.08 -0.04 -0.03 0.05 -0.06 0.01 0.02 -0.01 -0.04 -0.01 -0.00 0.10 -0.02 -0.03 0.04 -0.06 0.07 0.09 0.08 -0.03 -0.02 -0.02 -0.04 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.15 -0.06 0.05 -0.09 0.14 0.01 0.01 -0.00 0.08 0.04 -0.05 0.00 -0.00 0.00 0.03 0.01 0.03 -0.00 -0.07 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.00 0.10 -0.05 0.06 -0.13 -0.02 -0.00 0.01 -0.01 -0.01 -0.02 -0.08 -0.13 -0.08 0.01 -0.00 -0.01 -0.00 0.01 0.01 0.01 0.00 0.00 -0.04 0.01 0.01 -0.02 -0.03 -0.02 -0.43 -0.11 0.19 -0.32 -0.18 0.09 -0.01 0.03 -0.02 -0.00 0.01 -0.01 -0.09 0.05 -0.06 -0.35 0.02 -0.13 0.01 0.01 -0.01 0.01 0.01 -0.01 0.00 0.01 0.00 0.00 0.28 -0.09 -0.02 0.24 -0.15 0.18 0.25 0.21 0.05 0.03 0.04 0.07 0.02 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -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 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.04 0.03 0.09 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.13 -0.08 -0.12 0.19 0.04 -0.01 0.00 0.00 0.00 0.18 0.05 0.02 -0.15 -0.08 -0.09 -0.09 0.07 0.18 0.00 0.01 -0.00 0.01 -0.03 0.02 0.00 0.01 -0.01 -0.02 -0.02 -0.00 -0.00 0.02 -0.01 0.00 0.01 -0.01 -0.06 0.01 -0.03 -0.04 0.01 -0.02 -0.01 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.21 -0.29 -0.50 0.59 0.02 -0.23 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.02 0.03 0.00 0.01 -0.00 0.00 0.00 0.00 0.02 -0.05 0.02 0.01 -0.01 -0.01 -0.01 0.06 -0.04 -0.03 -0.00 -0.01 -0.00 -0.02 -0.00 -0.01 -0.11 0.05 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.11 0.06 -0.02 -0.14 0.24 -0.21 0.00 -0.02 0.00 0.00 0.04 0.03 0.12 -0.22 0.15 0.06 -0.17 0.12 0.17 -0.03 0.06 0.10 -0.02 0.05 0.29 0.33 -0.07 0.00 0.34 -0.32 -0.09 0.46 -0.12 -0.00 0.02 -0.01 0.01 0.03 -0.00 0.01 0.01 0.01 -0.03 -0.03 -0.04 -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 0.02 -0.01 0.00 0.00 -0.01 -0.02 0.03 0.03 0.00 0.02 -0.01 0.00 -0.00 0.01 0.03 -0.06 0.03 0.04 -0.01 -0.01 -0.00 0.03 -0.03 -0.08 -0.00 -0.02 -0.00 -0.04 -0.00 0.02 0.07 -0.02 -0.02 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.03 -0.00 -0.02 0.02 0.02 0.03 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.02 -0.02 -0.00 0.00 -0.12 0.11 -0.04 -0.15 0.33 -0.26 -0.10 -0.04 0.02 0.00 0.02 0.04 0.06 -0.14 0.08 0.01 -0.09 0.06 0.44 -0.08 0.17 0.28 -0.05 0.13 -0.19 -0.28 0.04 -0.06 -0.23 0.24 0.01 -0.33 0.01 -0.00 0.03 -0.02 0.01 0.04 -0.01 0.01 0.02 0.01 -0.07 -0.05 -0.07 -0.08 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.03 -0.01 0.00 -0.01 0.01 -0.04 0.07 -0.04 0.02 -0.01 0.01 0.00 -0.06 0.04 -0.09 -0.00 -0.03 -0.00 -0.04 0.01 -0.02 -0.02 0.00 -0.03 -0.01 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.01 0.04 -0.00 -0.02 0.02 0.02 0.04 -0.01 -0.02 -0.01 -0.00 0.01 0.02 0.01 -0.01 -0.02 -0.02 -0.01 -0.00 0.17 -0.26 0.13 0.18 -0.34 0.29 -0.11 -0.04 0.05 0.08 0.04 -0.00 -0.08 0.21 -0.10 -0.03 0.16 -0.13 0.45 -0.09 0.18 0.37 -0.06 0.16 0.07 0.12 -0.02 0.05 0.08 -0.10 0.01 0.13 0.02 0.00 0.02 -0.00 -0.00 0.02 -0.01 0.02 0.01 0.02 -0.08 -0.05 -0.08 -0.10 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.03 -0.02 0.12 0.07 0.00 0.06 -0.02 0.01 -0.00 0.02 -0.02 -0.02 -0.02 -0.08 -0.06 -0.03 0.00 -0.02 0.00 0.03 -0.00 -0.01 -0.00 -0.12 0.01 -0.00 0.01 -0.00 0.02 0.01 0.01 0.01 -0.02 0.02 -0.01 -0.02 -0.00 -0.02 -0.00 0.01 -0.00 -0.01 -0.02 -0.01 -0.02 -0.02 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 0.01 0.23 -0.27 0.10 0.08 0.29 0.06 0.64 0.01 0.03 0.13 0.43 0.20 -0.01 0.04 -0.02 -0.06 0.07 -0.05 -0.13 -0.02 0.01 -0.03 -0.00 -0.04 0.00 -0.04 -0.04 0.03 -0.04 0.03 -0.01 -0.01 -0.01 0.00 0.06 -0.05 0.02 0.11 -0.01 0.02 0.04 0.03 0.03 0.02 0.03 0.06 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.07 -0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.02 -0.00 0.02 -0.01 -0.00 -0.00 -0.08 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.22 0.08 0.08 -0.00 -0.01 0.00 0.00 -0.01 0.01 -0.13 0.01 0.09 -0.02 -0.07 -0.14 -0.00 0.00 -0.00 -0.03 -0.06 -0.10 -0.11 -0.00 0.05 0.11 0.04 0.04 -0.06 -0.01 0.03 -0.03 -0.07 -0.03 -0.09 -0.01 -0.02 0.06 -0.01 -0.03 0.03 0.02 0.05 0.06 0.00 -0.02 0.40 0.01 -0.04 0.32 0.13 0.17 0.00 0.02 0.02 -0.03 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 -0.02 0.01 0.02 0.01 0.00 0.01 -0.00 0.31 0.22 0.31 0.49 0.09 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.02 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.05 -0.03 -0.01 0.01 0.01 0.03 0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.03 -0.01 -0.00 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.48 0.10 -0.26 0.25 0.43 0.31 -0.14 0.10 -0.30 0.03 -0.27 -0.20 -0.10 -0.14 -0.14 -0.19 -0.03 0.10 0.03 0.01 -0.01 0.02 0.01 0.01 0.03 0.02 -0.01 -0.02 0.01 0.00 -0.02 0.01 -0.03 0.01 -0.02 0.04 -0.01 -0.04 -0.01 0.01 -0.01 0.02 0.01 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.02 0.01 0.00 -0.00 -0.00 0.00 0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.04 0.00 -0.01 0.01 0.00 0.00 0.00 0.02 -0.01 0.00 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.09 -0.02 0.06 -0.03 -0.09 -0.05 0.02 0.00 0.00 0.01 0.02 0.01 -0.16 -0.24 -0.19 -0.28 -0.07 0.16 0.01 0.00 -0.00 0.01 0.01 0.01 -0.14 -0.32 -0.08 0.58 -0.09 -0.12 0.25 0.32 0.31 0.01 -0.03 0.03 -0.01 -0.03 -0.01 0.00 -0.01 0.01 0.01 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.03 0.01 -0.01 -0.11 0.05 -0.01 -0.09 0.03 0.01 -0.01 0.00 0.00 -0.01 -0.03 -0.01 -0.01 0.00 0.00 0.02 -0.01 0.01 -0.02 -0.02 0.01 0.00 0.01 0.02 0.01 0.00 0.01 0.23 -0.09 0.01 0.20 -0.08 -0.01 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.14 0.05 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.05 -0.02 0.03 -0.03 -0.01 -0.04 0.08 -0.07 0.18 -0.05 0.18 0.15 0.05 0.07 0.06 0.10 0.02 -0.05 -0.01 -0.09 0.19 -0.01 -0.19 -0.03 0.08 0.01 -0.11 -0.07 -0.06 0.08 -0.11 -0.01 -0.14 0.14 -0.35 0.38 -0.14 -0.47 -0.07 0.04 -0.12 0.11 0.02 0.01 0.02 0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.02 -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 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 -0.02 -0.00 -0.00 0.05 -0.01 0.02 -0.04 0.10 -0.01 0.08 0.06 -0.04 -0.03 -0.08 -0.11 -0.07 0.07 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.25 0.24 0.58 -0.18 0.33 -0.25 0.30 -0.25 0.36 0.01 -0.03 0.02 -0.01 -0.03 -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 0.01 -0.00 0.00 -0.01 -0.01 0.03 0.01 -0.06 -0.04 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.01 0.00 -0.05 0.03 0.02 0.01 -0.02 -0.02 0.01 0.00 0.06 -0.02 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.17 0.14 -0.17 0.10 0.10 0.15 0.03 -0.21 0.56 -0.08 0.36 0.30 -0.12 -0.12 -0.16 -0.19 -0.03 0.11 0.14 0.09 -0.19 0.01 0.23 0.04 0.08 0.01 -0.11 -0.05 -0.04 0.06 -0.10 0.00 -0.12 0.00 -0.00 -0.03 -0.00 0.00 0.00 -0.02 -0.01 -0.03 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.03 0.01 0.01 0.00 -0.01 -0.07 -0.01 -0.02 -0.01 -0.01 0.01 0.00 0.02 -0.01 -0.02 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.22 0.10 -0.16 0.10 0.20 0.14 -0.02 -0.04 0.11 -0.03 0.05 0.06 0.26 0.26 0.37 0.48 0.00 -0.20 0.05 0.04 -0.09 -0.01 0.11 0.01 -0.12 -0.15 0.04 0.30 -0.01 -0.10 0.18 0.15 0.23 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.03 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.02 0.00 -0.01 0.00 -0.02 -0.06 0.03 -0.00 -0.03 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.00 0.04 -0.01 0.00 0.02 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.03 0.00 0.01 0.01 0.01 0.02 0.00 -0.00 -0.01 -0.01 -0.01 -0.11 -0.07 0.09 -0.06 -0.07 -0.08 0.07 0.07 -0.19 0.01 -0.10 -0.06 0.00 0.02 -0.00 -0.00 0.01 -0.01 0.18 0.26 -0.58 0.03 0.64 0.10 0.00 0.03 0.02 -0.05 0.01 0.01 -0.01 -0.04 -0.01 0.02 -0.04 0.06 -0.01 -0.04 -0.00 0.02 -0.00 0.03 -0.03 -0.02 -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 0.01 0.01 -0.02 -0.00 0.03 0.02 0.03 0.02 0.06 0.00 -0.23 0.10 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.06 -0.23 -0.01 -0.00 0.26 -0.13 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.09 0.28 0.04 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.03 0.03 -0.01 0.01 -0.02 0.01 0.04 -0.12 0.01 -0.06 -0.04 0.00 0.00 0.01 0.00 0.00 -0.01 0.02 0.02 -0.04 0.00 0.04 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.15 0.04 -0.27 -0.17 -0.39 -0.14 -0.31 -0.30 -0.43 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.16 -0.12 -0.34 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.18 0.05 0.19 -0.02 0.11 0.24 0.00 0.00 -0.00 -0.01 -0.14 -0.29 0.23 -0.04 -0.20 -0.19 0.15 0.40 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.00 0.01 0.01 0.01 0.01 -0.01 -0.02 0.01 -0.02 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 0.35 0.13 0.12 -0.32 -0.13 -0.13 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.03 0.01 -0.02 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.20 0.07 0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.31 -0.08 -0.03 -0.25 -0.13 -0.15 0.00 0.00 -0.00 0.25 0.15 0.19 0.34 0.08 0.01 -0.17 -0.06 -0.05 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.00 0.00 0.03 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.07 -0.06 0.14 0.10 -0.12 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.18 -0.21 -0.35 -0.43 -0.03 0.14 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.10 0.04 -0.44 0.05 -0.06 -0.12 -0.01 -0.02 -0.05 -0.00 -0.01 -0.00 -0.02 -0.02 0.03 0.01 -0.01 -0.02 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.18 0.03 0.75 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.03 -0.01 0.02 0.02 0.02 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.15 0.19 -0.17 0.03 0.14 0.11 -0.04 -0.07 0.09 -0.09 0.04 0.07 -0.00 -0.05 -0.01 -0.06 0.03 0.01 0.03 0.01 -0.01 -0.04 0.00 -0.01 0.01 0.02 -0.01 0.01 -0.02 0.01 -0.00 0.01 0.00 0.01 -0.02 0.04 0.00 -0.07 0.04 -0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.05 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.05 -0.06 -0.03 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.34 0.16 -0.22 0.16 0.42 0.52 0.45 -0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 0.03 0.03 -0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 0.11 0.15 0.05 -0.01 -0.04 0.01 -0.06 -0.02 -0.07 0.08 -0.09 -0.01 0.00 0.01 -0.01 -0.02 -0.03 0.02 -0.35 -0.19 -0.35 -0.07 0.81 -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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.04 -0.04 0.00 0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.22 0.51 0.70 0.25 -0.03 -0.21 0.01 -0.06 -0.02 -0.01 0.00 -0.00 -0.04 0.01 0.04 -0.04 -0.10 -0.13 -0.01 0.08 0.04 0.08 0.01 -0.18 -0.02 0.01 -0.01 0.01 0.04 0.04 0.03 -0.00 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.06 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.09 0.12 -0.02 0.00 0.02 0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.60 -0.05 -0.46 0.13 0.35 0.44 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.16 0.08 -0.10 0.01 0.01 0.01 -0.08 0.01 0.07 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.03 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 0.01 0.02 0.07 -0.01 -0.05 0.00 -0.04 -0.01 -0.03 0.03 -0.03 -0.14 0.01 0.10 0.08 0.19 0.23 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.13 0.07 -0.06 -0.16 -0.39 -0.47 0.52 -0.04 -0.40 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.06 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.05 0.03 -0.00 -0.02 -0.07 0.52 0.17 0.42 -0.41 0.53 0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.20 -0.10 -0.02 -0.00 0.04 -0.01 0.01 -0.01 -0.01 -0.02 -0.03 0.03 -0.00 -0.03 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 -0.03 -0.00 0.01 -0.00 -0.02 0.00 0.02 0.00 -0.01 -0.01 -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 0.04 0.08 0.10 -0.30 0.03 0.23 0.00 -0.04 -0.02 0.04 -0.03 0.05 0.20 -0.01 -0.15 -0.02 -0.03 -0.04 -0.00 0.11 0.05 -0.02 -0.01 0.06 0.57 -0.30 0.37 0.01 0.07 0.08 0.32 -0.02 -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 0.03 -0.01 -0.03 -0.01 0.02 -0.01 0.00 0.02 0.03 0.01 -0.04 -0.04 -0.00 0.00 -0.00 0.03 -0.00 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.05 0.07 -0.34 0.03 0.26 0.02 -0.13 -0.05 0.13 -0.13 0.17 0.08 -0.00 -0.06 -0.08 -0.21 -0.25 -0.02 0.51 0.26 -0.11 -0.03 0.25 -0.29 0.16 -0.19 -0.04 -0.13 -0.15 -0.04 0.00 0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.01 0.03 -0.01 0.02 -0.01 0.00 -0.02 -0.03 0.01 -0.04 -0.04 -0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.08 -0.10 0.40 -0.04 -0.30 0.01 -0.09 -0.03 0.12 -0.11 0.15 -0.14 0.01 0.10 0.09 0.22 0.27 -0.02 0.52 0.26 -0.11 -0.03 0.25 0.17 -0.09 0.10 0.04 0.12 0.14 -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 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.04 0.02 -0.04 0.00 -0.02 0.03 0.05 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.11 -0.15 0.36 -0.04 -0.27 -0.04 0.39 0.14 -0.14 0.13 -0.18 0.37 -0.02 -0.27 -0.12 -0.29 -0.36 -0.00 0.16 0.08 -0.02 -0.01 0.05 0.02 -0.01 0.01 -0.04 -0.09 -0.10 0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.03 0.02 -0.07 0.00 0.01 -0.01 -0.03 0.00 -0.02 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.05 0.10 0.14 -0.24 0.03 0.18 -0.07 0.65 0.23 -0.22 0.20 -0.27 -0.21 0.01 0.15 0.07 0.16 0.20 -0.01 0.23 0.12 -0.03 -0.01 0.07 -0.01 0.00 -0.01 0.02 0.05 0.05 -0.07 0.00 0.06 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.07 0.01 0.05 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.79 -0.10 -0.58 -0.01 -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 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.04 -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 0.13 -0.02 -0.10 0.08 0.43 0.88 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.02 0.06 -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 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.13 -0.14 -0.15 0.02 -0.00 0.04 0.23 -0.65 0.68 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.04 0.01 -0.08 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.09 0.10 0.10 0.45 -0.08 0.87 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.05 -0.05 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.50 0.56 0.58 -0.07 0.01 -0.15 0.06 -0.17 0.17 0.00 -0.00 -0.00 0.00 -0.00 -0.00 17 17 17 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 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 17 17 17 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 34.96885 34.96885 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 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 375.03081 0.99984 0.01748 0.00214 -0.01724 0.99638 -0.08327 -0.00359 0.08322 0.99652 asymmetric 1 0.01307 0.00630 0.00571 0.27243 0.13120 0.11892 777732.8 27.50 47.12 64.76 67.27 77.38 99.70 104.89 115.10 137.80 182.48 190.41 220.21 257.65 276.61 288.87 296.11 302.35 335.08 349.94 425.10 430.12 465.66 478.17 537.15 543.91 582.72 619.37 628.20 669.02 750.34 754.69 834.60 838.88 851.17 922.82 955.96 975.22 1018.44 1068.33 1100.35 1111.13 1117.32 1155.77 1205.11 1208.26 1248.11 1254.44 1266.33 1271.20 1289.21 1309.67 1317.98 1344.56 1421.27 1479.71 1501.93 1518.74 1561.89 1578.85 1585.61 1621.75 1623.10 1648.65 1658.44 1743.48 1762.80 1772.28 1810.10 1835.80 1843.10 1848.88 1863.64 1884.49 1909.73 1932.73 1940.65 1988.94 1994.36 2026.92 2038.45 2041.89 2046.51 2074.01 2127.02 2137.57 2155.60 2157.40 2162.93 2170.27 2177.54 2180.22 2223.59 2275.89 2312.18 2521.77 4338.00 4360.66 4361.88 4399.88 4411.78 4416.43 4446.76 4448.19 4449.07 4476.81 4482.38 4630.15 4630.79 4658.75 4698.98 4717.80 0.296223 0.318643 0.319587 0.241750 -2276.587055 -2276.564635 -2276.563691 -2276.641527 199.951 81.969 163.821 0.000 0.000 0.000 0.889 2.981 43.658 0.889 2.981 35.579 198.174 76.007 84.584 1 0.593 1.986 6.725 2 0.594 1.983 5.656 3 0.595 1.979 5.025 4 0.595 1.979 4.950 5 0.596 1.976 4.673 6 0.598 1.969 4.173 7 0.599 1.967 4.073 8 0.600 1.963 3.891 9 0.603 1.952 3.538 10 0.611 1.926 2.994 11 0.612 1.921 2.912 12 0.619 1.899 2.634 13 0.629 1.868 2.338 14 0.634 1.851 2.206 15 0.638 1.839 2.126 16 0.640 1.832 2.081 17 0.642 1.825 2.042 18 0.654 1.791 1.857 19 0.659 1.774 1.779 20 0.690 1.682 1.442 21 0.692 1.676 1.423 22 0.708 1.628 1.292 23 0.714 1.611 1.249 24 0.745 1.527 1.066 25 0.748 1.517 1.047 26 0.770 1.459 0.944 27 0.792 1.404 0.857 28 0.797 1.390 0.837 29 0.822 1.328 0.752 30 0.876 1.202 0.606 31 0.879 1.196 0.600 32 0.937 1.074 0.485 33 0.940 1.068 0.480 34 0.949 1.050 0.464 0.113673e+26 25.055658 57.692785 0.299132e+10 9.475862 21.818980 0.100000e+01 0.000000 0.000000 0.285466e+09 8.455554 19.469633 0.133119e+08 7.124241 16.404172 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -2276.8832776 6.057E-10 8.281E-6 0.2962228 0.3186426 -2276.564635 -2276.5636908 -2276.6415275 0.4993376,-9.1794082,8.6800706,5.6136315,-8.1612356,0.5627763 C01 [X(C15H16Cl3N3O2)] 0.1778268 -1.3608845 1.2898346 -0.0766684 0.0134762 0.0028123 0.0243797 -0.2116211 0.2939245 -0.013571 0.3060637 -0.5714938 -0.5850697 0.1561577 -0.1923043 0.1836587 -0.0874531 0.0550372 -0.2538037 0.0740587 -0.1427246 -0.7122297 -0.1103762 0.3268649 -0.1429418 -0.0817524 0.0879958 0.3322823 0.073178 -0.244509 -1.3690337 0.1000957 0.5103981 0.0776793 -0.4025812 -0.1030741 0.7048769 -0.1239605 -0.7100256 -0.6222058 0.1141194 -0.3343405 0.0413892 -0.7632094 -0.0461266 -0.4201249 0.0091174 -1.0171475 -0.5055068 -0.0742156 -0.0938256 0.1279314 -1.2134883 0.132329 -0.2441584 0.2418725 -0.6730075 -0.1834379 -0.3963647 -0.1547105 -0.2087381 -1.4249164 -0.4073737 -0.1722097 -0.4216202 -0.3005602 -0.3148109 -0.065499 -0.003403 -0.0367168 -0.7120851 -0.1147072 0.0120157 -0.1709263 -0.3738754 0.2512034 0.2137294 -0.0357467 0.2006996 0.5945763 0.1011454 -0.0023263 0.1798844 0.2843294 0.4323445 -0.0401531 0.1506414 -0.0385806 0.1187848 -0.0006912 0.2792779 -0.049881 0.4020723 0.0404209 -0.0394441 0.0493877 -0.0333782 0.0160323 0.0285335 0.0007297 0.0037177 0.0236398 0.4584429 -0.1539111 -0.1931531 -0.4300961 0.3760098 0.2824229 -0.4029066 0.2115271 0.5368218 0.5998608 0.0222526 0.4734567 -0.1517528 2.2761271 0.0984 0.6077087 -0.0803501 1.3011024 0.1013162 0.0354332 0.015104 -0.00459 0.0613647 -0.051914 0.0062368 -0.084819 0.1059378 0.8864996 0.0494866 -0.4934047 0.304217 -0.0177046 -0.0176842 -0.6124452 0.1021146 0.0734374 -0.105126 0.0909142 0.0204539 0.0506921 0.1110963 0.1388184 0.0318975 0.5014083 0.1063187 0.084926 0.3093248 0.0269207 0.1716139 0.8260372 0.1086406 -0.0260632 -0.1057113 0.0094367 0.0834505 -0.035094 0.0736474 -0.0162167 0.2525006 -0.4591398 0.0365061 -0.495532 0.8009685 0.8320349 -0.1743974 0.2397734 -0.2837165 0.0716339 -0.1360715 0.4677695 -0.176345 0.1979546 -0.0780587 0.0234341 -0.0922518 0.0456414 0.0140399 0.0386194 -0.100393 0.0195851 0.229241 -0.2642509 -0.0458427 0.1357041 -0.0737971 -0.1377404 0.1011122 0.1601728 0.1028921 -0.2880631 -0.4798387 -0.0077314 0.0859935 0.0177027 -0.082256 0.0052543 0.0202614 0.0139458 -0.1035464 1.0492799 0.1730931 -0.478738 0.2029855 0.0656108 -0.1699539 -0.4841778 -0.1549207 0.3494362 0.0626975 -0.0204174 0.0182155 -0.053389 -0.0858082 0.0517133 0.0758535 0.0626568 -0.0905797 -0.0634107 -0.0030847 -0.0190023 0.0434667 0.0274734 -0.0048359 -0.0931678 -0.0422203 0.0263922 0.0425739 0.0123515 -0.0201806 -0.0128761 -0.0792759 0.0643674 -0.0295422 0.0097307 0.0838364 -0.0625004 0.022844 0.0250544 0.0026717 0.073632 -0.1209003 -0.0232589 -0.0761162 -0.0748647 -0.0549784 0.0424082 -0.0343586 0.0772799 0.0391742 -0.0136679 -0.0668902 -0.0057749 -0.0009707 0.0602968 -0.0177995 0.0290041 -0.0248129 -0.0217167 0.0520568 0.064468 0.0418627 -0.024438 0.0536903 -0.0537286 0.0177664 0.006534 -0.0389517 -0.0040104 0.0466426 0.0623775 -0.0096877 -0.0365722 0.0023634 -0.0964143 0.0443994 0.0380841 -0.0089445 0.0001145 -0.0294697 -0.0856098 -0.0024044 0.0615287 0.0866347 0.0198765 -0.0472925 -0.0800682 0.0530087 -0.1127203 -0.0310029 0.0332829 -0.055766 0.0068586 -0.0603158 -0.0473362 0.0548085 0.0536943 0.138356 -0.0794761 -0.1182589 -0.0171921 -0.0944387 0.059563 0.0203039 0.0351826 -0.0859152 0.0005388 0.0224946 0.1456496 -0.0841407 0.0322997 -0.0746225 0.0744661 0.0469501 0.0343091 0.0131813 0.0622062 0.1441531 -0.0348725 0.0180523 -0.056396 0.1082912 -0.0332319 0.0259666 -0.0355362 0.0517043 0.136047 -0.0362917 0.0126667 -0.0137116 0.0527709 -0.0739208 0.0341275 -0.065954 0.0012103 0.0467748 0.0162706 -0.0149103 0.0149948 0.1237613 0.0274175 -0.0180866 0.0258163 0.089967 0.0894166 0.007039 -0.0065277 -0.0007279 0.1134185 0.0415868 0.0011205 0.0379721 0.0630752 264.8024897|3.3630093|223.7417472|-14.414123|-12.361381|230.8820403 0.000000323 -0.000005104 0.000003635 -0.000003190 0.000007339 -0.000003062 0.000000406 -0.000000987 0.000001195 -0.000028786 0.000013275 -0.000001749 0.000016667 -0.000001106 0.000007026 0.000008449 -0.000009913 -0.000005320 -0.000031545 0.000032261 0.000003048 -0.000000546 0.000001851 0.000002748 -0.000002859 -0.000000334 0.000001316 -0.000003668 -0.000000900 0.000002179 -0.000002369 0.000005431 0.000007400 0.000018990 -0.000023472 -0.000009443 -0.000019838 -0.000004691 -0.000003677 -0.000003186 -0.000002153 -0.000000220 0.000014919 -0.000008319 0.000011653 0.000021963 -0.000012695 0.000000895 0.000014150 -0.000011092 0.000007213 0.000006460 0.000010626 -0.000006815 -0.000006920 -0.000009663 0.000004488 -0.000002437 0.000003502 -0.000009967 -0.000000218 -0.000005406 0.000010015 0.000012343 0.000004147 -0.000006707 -0.000007477 0.000005609 -0.000006837 -0.000000268 0.000003131 0.000001517 0.000003890 0.000000909 -0.000005377 -0.000001534 -0.000001657 -0.000001713 0.000005044 -0.000004190 0.000001980 0.000006865 0.000000772 -0.000003551 0.000001231 0.000001895 0.000000247 -0.000005685 0.000002927 0.000002556 -0.000004030 0.000005383 -0.000000306 0.000000631 0.000000766 0.000000855 -0.000000473 0.000000694 -0.000001497 0.000001494 0.000001032 0.000000205 -0.000007009 0.000001226 -0.000001592 -0.000001719 0.000000420 -0.000002880 0.000000173 -0.000000743 0.000000560 -0.000000593 0.000000213 -0.000001252 0.000000353 -0.000000983 0.000001239 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 9-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C15H16Cl3N3O2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/prochloraz/gas/CONF643/opt-b3 #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 prochloraz CONF643 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 35 35 35 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 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 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 3 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 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 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 649 A 626 A 626 1007 649 97 97 2449.1976692825 39 39 39 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 -0.0518104849 0.000000 5.431562 0.000000 5.420589 5.421700 0.000000 2.983288 2.968096 5.907450 0.000000 7.327371 3.445365 8.797129 4.371934 0.000000 5.710311 3.876577 8.543128 2.999699 2.285522 0.000000 6.604277 3.881898 8.454181 4.063105 2.292704 2.372153 0.000000 7.456172 4.773615 8.403193 5.412098 4.127998 4.539227 2.225371 0.000000 6.219186 4.406333 9.128282 3.574876 2.735258 1.475286 3.713181 5.914495 0.000000 4.597000 4.281412 8.118270 2.397937 3.615037 1.471810 2.863726 4.667730 2.524268 0.000000 5.811537 3.842547 8.287791 3.233910 3.313940 2.529097 4.577311 6.627541 1.530241 3.299695 0.000000 3.504420 3.552229 6.692256 1.441727 4.139713 2.534012 3.144276 4.411324 3.599983 1.520777 3.857898 0.000000 6.484407 3.471805 8.509521 3.640563 1.214254 1.362509 1.438335 3.591813 2.411046 2.509685 3.258053 3.118749 0.000000 6.871121 5.116131 9.336053 4.603200 4.423457 3.865490 5.968275 8.066072 2.525801 4.650322 1.530485 5.317290 4.578821 0.000000 2.721394 2.717863 4.547497 1.360846 5.130608 4.184530 4.772813 5.680147 4.787511 3.650844 4.226006 2.370239 4.539918 5.522031 0.000000 6.916298 5.130494 9.251325 4.763817 3.515179 3.059274 1.390537 2.260432 4.446847 3.107268 5.533405 3.534375 2.560966 6.890133 5.540396 0.000000 6.989465 3.675383 7.948438 4.584052 2.905960 3.572432 1.378307 1.307659 4.847515 3.976078 5.451814 3.794424 2.484161 6.867171 4.928808 2.216479 0.000000 1.750310 4.008127 4.004828 2.408927 6.507927 5.375533 5.958353 6.653921 5.955249 4.581746 5.368536 3.232683 5.843712 6.544850 1.401000 6.546320 6.078627 0.000000 4.012155 1.747434 4.005693 2.403466 4.889786 4.599383 4.786972 5.459235 5.194486 4.446627 4.522152 3.257737 4.574449 5.794043 1.401836 5.776918 4.621666 2.397594 0.000000 7.417354 5.541616 9.198956 5.506739 4.397958 4.288902 2.193934 1.381647 5.709691 4.228908 6.668164 4.268165 3.607620 8.078849 6.020975 1.366459 2.142865 6.927170 6.104754 0.000000 2.714090 4.532379 2.717028 3.684099 7.466655 6.601052 6.938499 7.332826 7.186843 5.894420 6.486520 4.482654 6.909406 7.607642 2.439586 7.574512 6.827319 1.390429 2.784968 7.779563 0.000000 4.534118 2.714381 2.717523 3.680224 6.089019 5.977687 5.948744 6.252870 6.562512 5.788207 5.797228 4.500144 5.860614 6.965043 2.439523 6.910660 5.551030 2.783827 1.390595 7.046190 2.427162 0.000000 4.001869 4.001302 1.752934 4.154646 7.266458 6.833721 6.913465 7.135737 7.425830 6.382613 6.648257 4.978586 6.894943 7.773390 2.794565 7.714844 6.578721 2.390631 2.391292 7.814329 1.390358 1.390179 0.000000 6.254405 5.343343 9.745830 3.973377 3.733679 2.079504 4.386446 6.578922 1.094715 2.635165 2.171358 3.911171 3.250737 2.775599 5.284361 4.847328 5.630846 6.293801 5.913538 6.174196 7.603057 7.287726 8.014718 0.000000 7.278761 4.840350 9.877199 4.539279 2.434068 2.077530 3.863331 6.058251 1.090887 3.384648 2.158102 4.494155 2.501513 2.752561 5.677244 4.631853 4.964635 6.915972 5.899812 5.884460 8.096305 7.236695 8.214510 1.762354 0.000000 4.375675 4.872603 8.425532 2.555825 4.323550 2.065054 3.913904 5.757308 2.487236 1.090339 3.115868 2.128099 3.347209 4.255995 3.893760 4.121412 5.045584 4.659647 4.874360 5.275521 6.036138 6.205244 6.676116 2.217072 3.483327 0.000000 5.130937 5.116493 8.803022 3.323288 4.108472 2.127297 2.859740 4.445514 3.273355 1.091136 4.288596 2.127449 2.918263 5.571795 4.471052 2.588880 4.023316 5.277642 5.273069 3.709133 6.565543 6.561069 7.100986 3.220914 3.965209 1.753065 0.000000 4.785057 3.756964 7.598305 2.461177 3.993434 2.775788 4.813742 6.743336 2.156953 3.040768 1.092454 3.323938 3.684724 2.170173 3.455194 5.682414 5.646246 4.454407 3.997945 6.762725 5.615015 5.256396 5.931833 2.517827 3.057989 2.691353 4.100542 0.000000 6.061414 3.014068 7.781839 3.295522 2.804491 2.751127 4.318876 6.215066 2.140749 3.685979 1.092095 3.977644 3.023359 2.168588 4.035783 5.471190 4.963916 5.301963 3.990079 6.472356 6.275672 5.200957 6.212566 3.056906 2.486175 3.782839 4.680111 1.752483 0.000000 4.162284 3.127230 6.451903 2.081741 3.835182 2.791724 2.526986 3.437753 4.055770 2.177772 4.354250 1.091957 2.868783 5.876148 2.564136 3.026209 2.866165 3.533944 3.028253 3.510061 4.571469 4.186669 4.817818 4.562089 4.778815 3.052877 2.561072 3.991829 4.221767 0.000000 2.965498 4.471823 6.765368 2.080526 5.186094 3.448589 3.933982 4.896465 4.476241 2.143730 4.760790 1.095343 4.106267 6.144611 2.744161 4.004223 4.528792 3.133262 3.843904 4.598046 4.375873 4.915094 5.111543 4.588034 5.413046 2.488735 2.373671 4.098704 4.987923 1.778101 0.000000 6.908848 5.185135 8.983584 4.854575 5.110547 4.691072 6.691100 8.686974 3.480693 5.375278 2.175726 5.803324 5.332978 1.092700 5.559191 7.697344 7.458376 6.489199 5.738392 8.818137 7.419430 6.765463 7.524509 3.779252 3.757855 4.967704 6.369273 2.509490 2.518104 6.351932 6.607521 0.000000 6.925586 5.962764 9.950427 4.948885 5.137863 4.181682 6.458748 8.615759 2.792606 4.761089 2.183411 5.575823 5.116499 1.095289 5.981118 7.210884 7.487294 6.874626 6.465813 8.469086 8.017792 7.666760 8.351291 2.594138 3.115706 4.150139 5.595636 2.540778 3.085384 6.280571 6.270386 1.765421 0.000000 7.859424 5.507963 10.073308 5.408028 4.274809 4.170774 6.098655 8.205515 2.790214 5.203695 2.180867 5.988724 4.662657 1.094480 6.324820 7.050032 6.982016 7.443402 6.446125 8.240769 8.481837 7.611406 8.537252 3.138580 2.568306 4.938685 6.042779 3.084356 2.525783 6.426408 6.886663 1.765628 1.768458 0.000000 7.050164 5.811830 9.948815 5.008867 3.904021 3.002515 2.164380 3.316877 4.257764 2.942262 5.526172 3.743961 2.889463 6.777486 5.969241 1.075650 3.241755 6.921480 6.394768 2.236035 8.061949 7.607775 8.345777 4.429094 4.446118 3.790146 2.179275 5.681848 5.663910 3.535212 4.106550 7.670331 6.944384 6.938667 0.000000 7.124481 3.012354 7.445114 4.622489 2.798409 3.914190 2.144581 2.136568 5.003311 4.478551 5.341250 4.149564 2.749988 6.710184 4.778872 3.241817 1.077636 5.990780 4.183329 3.197010 6.606379 5.001450 6.161018 5.917389 5.078903 5.485733 4.747632 5.573877 4.663415 3.217963 4.986619 7.179698 7.456781 6.793578 4.218916 0.000000 7.985537 6.550898 9.855630 6.353748 5.442898 5.218057 3.249563 2.151809 6.636446 5.005758 7.654354 5.037435 4.636692 9.055621 6.839322 2.199831 3.166369 7.620009 6.990749 1.078890 8.438109 7.865546 8.532739 7.002282 6.818067 5.997709 4.323797 7.708458 7.512927 4.332555 5.180058 9.818668 9.384843 9.228077 2.751841 4.184074 0.000000 2.853282 5.613150 2.865832 4.556606 8.501579 7.512309 7.881005 8.201516 8.085474 6.686927 7.390352 5.285994 7.893957 8.452748 3.416134 8.418127 7.784552 2.150406 3.865747 8.586816 1.080784 3.407563 2.156081 8.415076 9.035016 6.745897 7.294285 6.458438 7.255783 5.442923 5.001331 8.232347 8.783052 9.374167 8.861116 7.614392 9.168364 0.000000 5.614897 2.854921 2.866979 4.550879 6.258349 6.521546 6.284378 6.422567 7.081957 6.520100 6.293283 5.312008 6.210284 7.405869 3.415934 7.335674 5.708567 3.864607 2.149840 7.379175 3.407682 1.080784 2.156060 7.904819 7.632966 7.012402 7.286838 5.899044 5.547912 4.862899 5.821665 7.164241 8.208548 7.939798 8.117689 4.994871 8.216044 4.302885 0.000000 C15H16Cl3N3O2 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 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2724295 0.1311977 0.1189249 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= 626 RedAO= T EigKep= 1.16D-06 NBF= 626 NBsUse= 624 1.00D-06 EigRej= 9.00D-07 NBFU= 624 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= 641 641 641 641 641 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -2276.88327762546 -2276.88327762551 -0.000000000053 -2276.88327763 2 2.269958041202e+03 -1.026612488125e+04 3.270137703629e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245867807 LenY= 4245445957 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. PT1305.900S Thu Dec 9 21:23:54 2021 GINC-DEPAZ17 PAULAPLA 09-Dec-2021 0 Wavefunction prochloraz CONF643 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2276.8832776 RMSD=1.040e-10 Dipole=0.1778268,-1.3608845,1.2898346 Quadrupole=0.4993376,-9.1794082,8.6800706,5.6136314,-8.1612356,0.5627764 PG=C01 [X(C15H16Cl3N3O2)] 0 2.5133769508 -1.9271882113 2.142521423 0 -0.2027461316 0.4254713289 -1.9305031607 0 5.2133515864 0.2073641279 -2.0451524077 0 0.0980280482 -1.0346437212 0.6360492326 0 -3.5027734977 0.8117980601 -1.0188485997 0 -2.8115295021 -0.3324259851 0.8349432117 0 -2.5762750878 2.0237412004 0.6926676597 0 -1.7005003053 4.0682026962 0.7666504408 0 -3.4219132254 -1.5725159165 0.3191152901 0 -1.8347275264 -0.4503523552 1.9295558463 0 -2.5520310731 -2.3442206551 -0.6755784505 0 -0.4043240112 -0.0689381038 1.5813705929 0 -3.0037980183 0.7907197039 0.0879444881 0 -3.2654904676 -3.6025057497 -1.175656096 0 1.279664976 -0.7128591499 0.0426770577 0 -2.7937926857 2.5047878476 1.9790861467 0 -1.9285848795 3.0286642788 0.0068414344 0 2.5062746939 -1.0847223231 0.6083158349 0 1.308225657 -0.0455609906 -1.1898165167 0 -2.2487291724 3.7577125161 1.996279846 0 3.7164788601 -0.811238884 -0.0193038365 0 2.5039204476 0.2427792563 -1.838606515 0 3.6968757435 -0.1460759293 -1.2400700186 0 -3.6614090676 -2.1977246895 1.1852316229 0 -4.3642588195 -1.2944058381 -0.1548835987 0 -1.8400202885 -1.4964431029 2.2369711724 0 -2.1378392735 0.1377814518 2.7971965964 0 -1.6013874693 -2.6041400398 -0.2042254735 0 -2.3168613251 -1.6814815503 -1.5111288704 0 -0.3434695314 0.9332224132 1.1520210864 0 0.2040692108 -0.099796922 2.4916904981 0 -2.6408517231 -4.1504683704 -1.88527358 0 -3.5033683471 -4.2824160845 -0.3505532964 0 -4.2028844574 -3.3527565225 -1.6824138589 0 -3.3487301893 1.9477281146 2.7130826525 0 -1.6493902301 2.9084617993 -1.0270357227 0 -2.2315261286 4.4605278248 2.8146671961 0 4.6495781681 -1.111748783 0.4357932111 0 2.4997149905 0.7570637859 -2.78917895 Gaussian 16 9-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C15H16Cl3N3O2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=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 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/prochloraz/gas/CONF643/opt-b3 #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 prochloraz CONF643 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 35 35 35 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 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 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 3 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 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 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 649 A 626 A 626 1007 649 97 97 2449.1976692825 39 39 39 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 -0.0518104849 0.000000 5.431562 0.000000 5.420589 5.421700 0.000000 2.983288 2.968096 5.907450 0.000000 7.327371 3.445365 8.797129 4.371934 0.000000 5.710311 3.876577 8.543128 2.999699 2.285522 0.000000 6.604277 3.881898 8.454181 4.063105 2.292704 2.372153 0.000000 7.456172 4.773615 8.403193 5.412098 4.127998 4.539227 2.225371 0.000000 6.219186 4.406333 9.128282 3.574876 2.735258 1.475286 3.713181 5.914495 0.000000 4.597000 4.281412 8.118270 2.397937 3.615037 1.471810 2.863726 4.667730 2.524268 0.000000 5.811537 3.842547 8.287791 3.233910 3.313940 2.529097 4.577311 6.627541 1.530241 3.299695 0.000000 3.504420 3.552229 6.692256 1.441727 4.139713 2.534012 3.144276 4.411324 3.599983 1.520777 3.857898 0.000000 6.484407 3.471805 8.509521 3.640563 1.214254 1.362509 1.438335 3.591813 2.411046 2.509685 3.258053 3.118749 0.000000 6.871121 5.116131 9.336053 4.603200 4.423457 3.865490 5.968275 8.066072 2.525801 4.650322 1.530485 5.317290 4.578821 0.000000 2.721394 2.717863 4.547497 1.360846 5.130608 4.184530 4.772813 5.680147 4.787511 3.650844 4.226006 2.370239 4.539918 5.522031 0.000000 6.916298 5.130494 9.251325 4.763817 3.515179 3.059274 1.390537 2.260432 4.446847 3.107268 5.533405 3.534375 2.560966 6.890133 5.540396 0.000000 6.989465 3.675383 7.948438 4.584052 2.905960 3.572432 1.378307 1.307659 4.847515 3.976078 5.451814 3.794424 2.484161 6.867171 4.928808 2.216479 0.000000 1.750310 4.008127 4.004828 2.408927 6.507927 5.375533 5.958353 6.653921 5.955249 4.581746 5.368536 3.232683 5.843712 6.544850 1.401000 6.546320 6.078627 0.000000 4.012155 1.747434 4.005693 2.403466 4.889786 4.599383 4.786972 5.459235 5.194486 4.446627 4.522152 3.257737 4.574449 5.794043 1.401836 5.776918 4.621666 2.397594 0.000000 7.417354 5.541616 9.198956 5.506739 4.397958 4.288902 2.193934 1.381647 5.709691 4.228908 6.668164 4.268165 3.607620 8.078849 6.020975 1.366459 2.142865 6.927170 6.104754 0.000000 2.714090 4.532379 2.717028 3.684099 7.466655 6.601052 6.938499 7.332826 7.186843 5.894420 6.486520 4.482654 6.909406 7.607642 2.439586 7.574512 6.827319 1.390429 2.784968 7.779563 0.000000 4.534118 2.714381 2.717523 3.680224 6.089019 5.977687 5.948744 6.252870 6.562512 5.788207 5.797228 4.500144 5.860614 6.965043 2.439523 6.910660 5.551030 2.783827 1.390595 7.046190 2.427162 0.000000 4.001869 4.001302 1.752934 4.154646 7.266458 6.833721 6.913465 7.135737 7.425830 6.382613 6.648257 4.978586 6.894943 7.773390 2.794565 7.714844 6.578721 2.390631 2.391292 7.814329 1.390358 1.390179 0.000000 6.254405 5.343343 9.745830 3.973377 3.733679 2.079504 4.386446 6.578922 1.094715 2.635165 2.171358 3.911171 3.250737 2.775599 5.284361 4.847328 5.630846 6.293801 5.913538 6.174196 7.603057 7.287726 8.014718 0.000000 7.278761 4.840350 9.877199 4.539279 2.434068 2.077530 3.863331 6.058251 1.090887 3.384648 2.158102 4.494155 2.501513 2.752561 5.677244 4.631853 4.964635 6.915972 5.899812 5.884460 8.096305 7.236695 8.214510 1.762354 0.000000 4.375675 4.872603 8.425532 2.555825 4.323550 2.065054 3.913904 5.757308 2.487236 1.090339 3.115868 2.128099 3.347209 4.255995 3.893760 4.121412 5.045584 4.659647 4.874360 5.275521 6.036138 6.205244 6.676116 2.217072 3.483327 0.000000 5.130937 5.116493 8.803022 3.323288 4.108472 2.127297 2.859740 4.445514 3.273355 1.091136 4.288596 2.127449 2.918263 5.571795 4.471052 2.588880 4.023316 5.277642 5.273069 3.709133 6.565543 6.561069 7.100986 3.220914 3.965209 1.753065 0.000000 4.785057 3.756964 7.598305 2.461177 3.993434 2.775788 4.813742 6.743336 2.156953 3.040768 1.092454 3.323938 3.684724 2.170173 3.455194 5.682414 5.646246 4.454407 3.997945 6.762725 5.615015 5.256396 5.931833 2.517827 3.057989 2.691353 4.100542 0.000000 6.061414 3.014068 7.781839 3.295522 2.804491 2.751127 4.318876 6.215066 2.140749 3.685979 1.092095 3.977644 3.023359 2.168588 4.035783 5.471190 4.963916 5.301963 3.990079 6.472356 6.275672 5.200957 6.212566 3.056906 2.486175 3.782839 4.680111 1.752483 0.000000 4.162284 3.127230 6.451903 2.081741 3.835182 2.791724 2.526986 3.437753 4.055770 2.177772 4.354250 1.091957 2.868783 5.876148 2.564136 3.026209 2.866165 3.533944 3.028253 3.510061 4.571469 4.186669 4.817818 4.562089 4.778815 3.052877 2.561072 3.991829 4.221767 0.000000 2.965498 4.471823 6.765368 2.080526 5.186094 3.448589 3.933982 4.896465 4.476241 2.143730 4.760790 1.095343 4.106267 6.144611 2.744161 4.004223 4.528792 3.133262 3.843904 4.598046 4.375873 4.915094 5.111543 4.588034 5.413046 2.488735 2.373671 4.098704 4.987923 1.778101 0.000000 6.908848 5.185135 8.983584 4.854575 5.110547 4.691072 6.691100 8.686974 3.480693 5.375278 2.175726 5.803324 5.332978 1.092700 5.559191 7.697344 7.458376 6.489199 5.738392 8.818137 7.419430 6.765463 7.524509 3.779252 3.757855 4.967704 6.369273 2.509490 2.518104 6.351932 6.607521 0.000000 6.925586 5.962764 9.950427 4.948885 5.137863 4.181682 6.458748 8.615759 2.792606 4.761089 2.183411 5.575823 5.116499 1.095289 5.981118 7.210884 7.487294 6.874626 6.465813 8.469086 8.017792 7.666760 8.351291 2.594138 3.115706 4.150139 5.595636 2.540778 3.085384 6.280571 6.270386 1.765421 0.000000 7.859424 5.507963 10.073308 5.408028 4.274809 4.170774 6.098655 8.205515 2.790214 5.203695 2.180867 5.988724 4.662657 1.094480 6.324820 7.050032 6.982016 7.443402 6.446125 8.240769 8.481837 7.611406 8.537252 3.138580 2.568306 4.938685 6.042779 3.084356 2.525783 6.426408 6.886663 1.765628 1.768458 0.000000 7.050164 5.811830 9.948815 5.008867 3.904021 3.002515 2.164380 3.316877 4.257764 2.942262 5.526172 3.743961 2.889463 6.777486 5.969241 1.075650 3.241755 6.921480 6.394768 2.236035 8.061949 7.607775 8.345777 4.429094 4.446118 3.790146 2.179275 5.681848 5.663910 3.535212 4.106550 7.670331 6.944384 6.938667 0.000000 7.124481 3.012354 7.445114 4.622489 2.798409 3.914190 2.144581 2.136568 5.003311 4.478551 5.341250 4.149564 2.749988 6.710184 4.778872 3.241817 1.077636 5.990780 4.183329 3.197010 6.606379 5.001450 6.161018 5.917389 5.078903 5.485733 4.747632 5.573877 4.663415 3.217963 4.986619 7.179698 7.456781 6.793578 4.218916 0.000000 7.985537 6.550898 9.855630 6.353748 5.442898 5.218057 3.249563 2.151809 6.636446 5.005758 7.654354 5.037435 4.636692 9.055621 6.839322 2.199831 3.166369 7.620009 6.990749 1.078890 8.438109 7.865546 8.532739 7.002282 6.818067 5.997709 4.323797 7.708458 7.512927 4.332555 5.180058 9.818668 9.384843 9.228077 2.751841 4.184074 0.000000 2.853282 5.613150 2.865832 4.556606 8.501579 7.512309 7.881005 8.201516 8.085474 6.686927 7.390352 5.285994 7.893957 8.452748 3.416134 8.418127 7.784552 2.150406 3.865747 8.586816 1.080784 3.407563 2.156081 8.415076 9.035016 6.745897 7.294285 6.458438 7.255783 5.442923 5.001331 8.232347 8.783052 9.374167 8.861116 7.614392 9.168364 0.000000 5.614897 2.854921 2.866979 4.550879 6.258349 6.521546 6.284378 6.422567 7.081957 6.520100 6.293283 5.312008 6.210284 7.405869 3.415934 7.335674 5.708567 3.864607 2.149840 7.379175 3.407682 1.080784 2.156060 7.904819 7.632966 7.012402 7.286838 5.899044 5.547912 4.862899 5.821665 7.164241 8.208548 7.939798 8.117689 4.994871 8.216044 4.302885 0.000000 C15H16Cl3N3O2 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 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2724295 0.1311977 0.1189249 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= 626 RedAO= T EigKep= 1.16D-06 NBF= 626 NBsUse= 624 1.00D-06 EigRej= 9.00D-07 NBFU= 624 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= 641 641 641 641 641 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -2276.88327762546 -2276.88327762549 -0.000000000025 -2276.88327763 2 2.269958041202e+03 -1.026612488125e+04 3.270137703629e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245867807 LenY= 4245445957 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 4.7941 258.62 0.0044 0.000 94 99 -0.18936 95 98 -0.12584 96 98 0.23549 97 98 0.62472 -2276.70709913 2 Singlet-A 4.8222 257.11 0.0061 0.000 94 99 -0.34041 95 98 -0.22265 96 98 0.45698 97 98 -0.32962 97 99 -0.11219 3 Singlet-A 4.9730 249.31 0.0013 0.000 97 99 0.69325 4 Singlet-A 5.2109 237.93 0.0223 0.000 97 100 0.58172 97 101 0.33121 5 Singlet-A 5.2867 234.52 0.0003 0.000 95 98 0.60259 96 98 0.35197 6 Singlet-A 5.3352 232.39 0.0001 0.000 95 100 -0.25741 95 101 0.16460 96 100 0.55428 96 101 -0.27454 97 101 -0.10801 7 Singlet-A 5.3758 230.64 0.0317 0.000 94 98 0.28890 95 99 0.17084 96 99 0.60631 8 Singlet-A 5.4320 228.25 0.0048 0.000 93 101 0.10172 97 100 -0.37093 97 101 0.54488 9 Singlet-A 5.4889 225.88 0.0006 0.000 94 98 -0.34322 95 99 0.61332 10 Singlet-A 5.5936 221.65 0.0068 0.000 91 100 -0.12540 91 101 -0.16234 92 101 -0.10016 93 99 0.13105 93 100 0.37476 93 101 0.41693 94 101 -0.10520 97 101 -0.20796 PT55375.800S Thu Dec 9 22:02:25 2021 GINC-DEPAZ17 PAULAPLA 09-Dec-2021 0 Electronic spectrum prochloraz CONF643 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2276.8832776 RMSD=2.508e-10 PG=C01 [X(C15H16Cl3N3O2)] 0 2.5133769508 -1.9271882113 2.142521423 0 -0.2027461316 0.4254713289 -1.9305031607 0 5.2133515864 0.2073641279 -2.0451524077 0 0.0980280482 -1.0346437212 0.6360492326 0 -3.5027734977 0.8117980601 -1.0188485997 0 -2.8115295021 -0.3324259851 0.8349432117 0 -2.5762750878 2.0237412004 0.6926676597 0 -1.7005003053 4.0682026962 0.7666504408 0 -3.4219132254 -1.5725159165 0.3191152901 0 -1.8347275264 -0.4503523552 1.9295558463 0 -2.5520310731 -2.3442206551 -0.6755784505 0 -0.4043240112 -0.0689381038 1.5813705929 0 -3.0037980183 0.7907197039 0.0879444881 0 -3.2654904676 -3.6025057497 -1.175656096 0 1.279664976 -0.7128591499 0.0426770577 0 -2.7937926857 2.5047878476 1.9790861467 0 -1.9285848795 3.0286642788 0.0068414344 0 2.5062746939 -1.0847223231 0.6083158349 0 1.308225657 -0.0455609906 -1.1898165167 0 -2.2487291724 3.7577125161 1.996279846 0 3.7164788601 -0.811238884 -0.0193038365 0 2.5039204476 0.2427792563 -1.838606515 0 3.6968757435 -0.1460759293 -1.2400700186 0 -3.6614090676 -2.1977246895 1.1852316229 0 -4.3642588195 -1.2944058381 -0.1548835987 0 -1.8400202885 -1.4964431029 2.2369711724 0 -2.1378392735 0.1377814518 2.7971965964 0 -1.6013874693 -2.6041400398 -0.2042254735 0 -2.3168613251 -1.6814815503 -1.5111288704 0 -0.3434695314 0.9332224132 1.1520210864 0 0.2040692108 -0.099796922 2.4916904981 0 -2.6408517231 -4.1504683704 -1.88527358 0 -3.5033683471 -4.2824160845 -0.3505532964 0 -4.2028844574 -3.3527565225 -1.6824138589 0 -3.3487301893 1.9477281146 2.7130826525 0 -1.6493902301 2.9084617993 -1.0270357227 0 -2.2315261286 4.4605278248 2.8146671961 0 4.6495781681 -1.111748783 0.4357932111 0 2.4997149905 0.7570637859 -2.78917895 Gaussian 16 9-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C15H16Cl3N3O2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=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 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/prochloraz/gas/CONF643/opt-b3 #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 prochloraz CONF643 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 35 35 35 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 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 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 3 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 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 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 1203 A 1065 A 1065 1561 1203 97 97 2449.1976692825 39 39 39 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 -0.0518104849 0.000000 5.431562 0.000000 5.420589 5.421700 0.000000 2.983288 2.968096 5.907450 0.000000 7.327371 3.445365 8.797129 4.371934 0.000000 5.710311 3.876577 8.543128 2.999699 2.285522 0.000000 6.604277 3.881898 8.454181 4.063105 2.292704 2.372153 0.000000 7.456172 4.773615 8.403193 5.412098 4.127998 4.539227 2.225371 0.000000 6.219186 4.406333 9.128282 3.574876 2.735258 1.475286 3.713181 5.914495 0.000000 4.597000 4.281412 8.118270 2.397937 3.615037 1.471810 2.863726 4.667730 2.524268 0.000000 5.811537 3.842547 8.287791 3.233910 3.313940 2.529097 4.577311 6.627541 1.530241 3.299695 0.000000 3.504420 3.552229 6.692256 1.441727 4.139713 2.534012 3.144276 4.411324 3.599983 1.520777 3.857898 0.000000 6.484407 3.471805 8.509521 3.640563 1.214254 1.362509 1.438335 3.591813 2.411046 2.509685 3.258053 3.118749 0.000000 6.871121 5.116131 9.336053 4.603200 4.423457 3.865490 5.968275 8.066072 2.525801 4.650322 1.530485 5.317290 4.578821 0.000000 2.721394 2.717863 4.547497 1.360846 5.130608 4.184530 4.772813 5.680147 4.787511 3.650844 4.226006 2.370239 4.539918 5.522031 0.000000 6.916298 5.130494 9.251325 4.763817 3.515179 3.059274 1.390537 2.260432 4.446847 3.107268 5.533405 3.534375 2.560966 6.890133 5.540396 0.000000 6.989465 3.675383 7.948438 4.584052 2.905960 3.572432 1.378307 1.307659 4.847515 3.976078 5.451814 3.794424 2.484161 6.867171 4.928808 2.216479 0.000000 1.750310 4.008127 4.004828 2.408927 6.507927 5.375533 5.958353 6.653921 5.955249 4.581746 5.368536 3.232683 5.843712 6.544850 1.401000 6.546320 6.078627 0.000000 4.012155 1.747434 4.005693 2.403466 4.889786 4.599383 4.786972 5.459235 5.194486 4.446627 4.522152 3.257737 4.574449 5.794043 1.401836 5.776918 4.621666 2.397594 0.000000 7.417354 5.541616 9.198956 5.506739 4.397958 4.288902 2.193934 1.381647 5.709691 4.228908 6.668164 4.268165 3.607620 8.078849 6.020975 1.366459 2.142865 6.927170 6.104754 0.000000 2.714090 4.532379 2.717028 3.684099 7.466655 6.601052 6.938499 7.332826 7.186843 5.894420 6.486520 4.482654 6.909406 7.607642 2.439586 7.574512 6.827319 1.390429 2.784968 7.779563 0.000000 4.534118 2.714381 2.717523 3.680224 6.089019 5.977687 5.948744 6.252870 6.562512 5.788207 5.797228 4.500144 5.860614 6.965043 2.439523 6.910660 5.551030 2.783827 1.390595 7.046190 2.427162 0.000000 4.001869 4.001302 1.752934 4.154646 7.266458 6.833721 6.913465 7.135737 7.425830 6.382613 6.648257 4.978586 6.894943 7.773390 2.794565 7.714844 6.578721 2.390631 2.391292 7.814329 1.390358 1.390179 0.000000 6.254405 5.343343 9.745830 3.973377 3.733679 2.079504 4.386446 6.578922 1.094715 2.635165 2.171358 3.911171 3.250737 2.775599 5.284361 4.847328 5.630846 6.293801 5.913538 6.174196 7.603057 7.287726 8.014718 0.000000 7.278761 4.840350 9.877199 4.539279 2.434068 2.077530 3.863331 6.058251 1.090887 3.384648 2.158102 4.494155 2.501513 2.752561 5.677244 4.631853 4.964635 6.915972 5.899812 5.884460 8.096305 7.236695 8.214510 1.762354 0.000000 4.375675 4.872603 8.425532 2.555825 4.323550 2.065054 3.913904 5.757308 2.487236 1.090339 3.115868 2.128099 3.347209 4.255995 3.893760 4.121412 5.045584 4.659647 4.874360 5.275521 6.036138 6.205244 6.676116 2.217072 3.483327 0.000000 5.130937 5.116493 8.803022 3.323288 4.108472 2.127297 2.859740 4.445514 3.273355 1.091136 4.288596 2.127449 2.918263 5.571795 4.471052 2.588880 4.023316 5.277642 5.273069 3.709133 6.565543 6.561069 7.100986 3.220914 3.965209 1.753065 0.000000 4.785057 3.756964 7.598305 2.461177 3.993434 2.775788 4.813742 6.743336 2.156953 3.040768 1.092454 3.323938 3.684724 2.170173 3.455194 5.682414 5.646246 4.454407 3.997945 6.762725 5.615015 5.256396 5.931833 2.517827 3.057989 2.691353 4.100542 0.000000 6.061414 3.014068 7.781839 3.295522 2.804491 2.751127 4.318876 6.215066 2.140749 3.685979 1.092095 3.977644 3.023359 2.168588 4.035783 5.471190 4.963916 5.301963 3.990079 6.472356 6.275672 5.200957 6.212566 3.056906 2.486175 3.782839 4.680111 1.752483 0.000000 4.162284 3.127230 6.451903 2.081741 3.835182 2.791724 2.526986 3.437753 4.055770 2.177772 4.354250 1.091957 2.868783 5.876148 2.564136 3.026209 2.866165 3.533944 3.028253 3.510061 4.571469 4.186669 4.817818 4.562089 4.778815 3.052877 2.561072 3.991829 4.221767 0.000000 2.965498 4.471823 6.765368 2.080526 5.186094 3.448589 3.933982 4.896465 4.476241 2.143730 4.760790 1.095343 4.106267 6.144611 2.744161 4.004223 4.528792 3.133262 3.843904 4.598046 4.375873 4.915094 5.111543 4.588034 5.413046 2.488735 2.373671 4.098704 4.987923 1.778101 0.000000 6.908848 5.185135 8.983584 4.854575 5.110547 4.691072 6.691100 8.686974 3.480693 5.375278 2.175726 5.803324 5.332978 1.092700 5.559191 7.697344 7.458376 6.489199 5.738392 8.818137 7.419430 6.765463 7.524509 3.779252 3.757855 4.967704 6.369273 2.509490 2.518104 6.351932 6.607521 0.000000 6.925586 5.962764 9.950427 4.948885 5.137863 4.181682 6.458748 8.615759 2.792606 4.761089 2.183411 5.575823 5.116499 1.095289 5.981118 7.210884 7.487294 6.874626 6.465813 8.469086 8.017792 7.666760 8.351291 2.594138 3.115706 4.150139 5.595636 2.540778 3.085384 6.280571 6.270386 1.765421 0.000000 7.859424 5.507963 10.073308 5.408028 4.274809 4.170774 6.098655 8.205515 2.790214 5.203695 2.180867 5.988724 4.662657 1.094480 6.324820 7.050032 6.982016 7.443402 6.446125 8.240769 8.481837 7.611406 8.537252 3.138580 2.568306 4.938685 6.042779 3.084356 2.525783 6.426408 6.886663 1.765628 1.768458 0.000000 7.050164 5.811830 9.948815 5.008867 3.904021 3.002515 2.164380 3.316877 4.257764 2.942262 5.526172 3.743961 2.889463 6.777486 5.969241 1.075650 3.241755 6.921480 6.394768 2.236035 8.061949 7.607775 8.345777 4.429094 4.446118 3.790146 2.179275 5.681848 5.663910 3.535212 4.106550 7.670331 6.944384 6.938667 0.000000 7.124481 3.012354 7.445114 4.622489 2.798409 3.914190 2.144581 2.136568 5.003311 4.478551 5.341250 4.149564 2.749988 6.710184 4.778872 3.241817 1.077636 5.990780 4.183329 3.197010 6.606379 5.001450 6.161018 5.917389 5.078903 5.485733 4.747632 5.573877 4.663415 3.217963 4.986619 7.179698 7.456781 6.793578 4.218916 0.000000 7.985537 6.550898 9.855630 6.353748 5.442898 5.218057 3.249563 2.151809 6.636446 5.005758 7.654354 5.037435 4.636692 9.055621 6.839322 2.199831 3.166369 7.620009 6.990749 1.078890 8.438109 7.865546 8.532739 7.002282 6.818067 5.997709 4.323797 7.708458 7.512927 4.332555 5.180058 9.818668 9.384843 9.228077 2.751841 4.184074 0.000000 2.853282 5.613150 2.865832 4.556606 8.501579 7.512309 7.881005 8.201516 8.085474 6.686927 7.390352 5.285994 7.893957 8.452748 3.416134 8.418127 7.784552 2.150406 3.865747 8.586816 1.080784 3.407563 2.156081 8.415076 9.035016 6.745897 7.294285 6.458438 7.255783 5.442923 5.001331 8.232347 8.783052 9.374167 8.861116 7.614392 9.168364 0.000000 5.614897 2.854921 2.866979 4.550879 6.258349 6.521546 6.284378 6.422567 7.081957 6.520100 6.293283 5.312008 6.210284 7.405869 3.415934 7.335674 5.708567 3.864607 2.149840 7.379175 3.407682 1.080784 2.156060 7.904819 7.632966 7.012402 7.286838 5.899044 5.547912 4.862899 5.821665 7.164241 8.208548 7.939798 8.117689 4.994871 8.216044 4.302885 0.000000 C15H16Cl3N3O2 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 0 360.5383999999998 AuxInfo=1/0/N:14,11,20,9,16,10,12,21,22,17,23,18,19,15,13,3,1,2,8,6,7,5,4/E:(8,9)(12,13)(17,18)/CRV:3.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,22.1/rA:39ClClClOO1NNN2CCCCC3CC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;;;s6;s6;s9;s4s10;s5s6s7;s11;s4;s7;s7s8;s1s15;s2s15;s8s16;s18;s19;s3s21s22;s9;s9;s10;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2724295 0.1311977 0.1189249 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= 1065 RedAO= T EigKep= 1.19D-06 NBF= 1065 NBsUse= 1061 1.00D-06 EigRej= 9.44D-07 NBFU= 1061 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= 1176 1176 1176 1176 1176 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -2276.88761822326 -2276.96144571047 -0.073827487205 -2276.96107504019 0.000370670276 -2276.96201018372 -0.000935143535 -2276.96204581379 -0.000035630062 -2276.96205315688 -0.000007343091 -2276.96205528636 -0.000002129481 -2276.96205532673 -0.000000040371 -2276.96205533543 -0.000000008702 -2276.96205533587 -0.000000000437 -2276.96205533588 -0.000000000013 -2276.96205533565 0.000000000233 -2276.96205533577 -0.000000000124 -2276.96205534 13 2.269640573458e+03 -1.026634596988e+04 3.270597482285e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4243798647 LenY= 4242350235 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. PT45570.100S Thu Dec 9 22:34:07 2021 GINC-DEPAZ17 PAULAPLA 09-Dec-2021 0 Single Point prochloraz CONF643 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2276.9620553 RMSD=1.981e-09 Dipole=0.1538586,-1.3638731,1.2445798 Quadrupole=0.431434,-8.8004549,8.3690209,5.5390222,-7.9544117,0.5315085 PG=C01 [X(C15H16Cl3N3O2)] 0 2.5133769508 -1.9271882113 2.142521423 0 -0.2027461316 0.4254713289 -1.9305031607 0 5.2133515864 0.2073641279 -2.0451524077 0 0.0980280482 -1.0346437212 0.6360492326 0 -3.5027734977 0.8117980601 -1.0188485997 0 -2.8115295021 -0.3324259851 0.8349432117 0 -2.5762750878 2.0237412004 0.6926676597 0 -1.7005003053 4.0682026962 0.7666504408 0 -3.4219132254 -1.5725159165 0.3191152901 0 -1.8347275264 -0.4503523552 1.9295558463 0 -2.5520310731 -2.3442206551 -0.6755784505 0 -0.4043240112 -0.0689381038 1.5813705929 0 -3.0037980183 0.7907197039 0.0879444881 0 -3.2654904676 -3.6025057497 -1.175656096 0 1.279664976 -0.7128591499 0.0426770577 0 -2.7937926857 2.5047878476 1.9790861467 0 -1.9285848795 3.0286642788 0.0068414344 0 2.5062746939 -1.0847223231 0.6083158349 0 1.308225657 -0.0455609906 -1.1898165167 0 -2.2487291724 3.7577125161 1.996279846 0 3.7164788601 -0.811238884 -0.0193038365 0 2.5039204476 0.2427792563 -1.838606515 0 3.6968757435 -0.1460759293 -1.2400700186 0 -3.6614090676 -2.1977246895 1.1852316229 0 -4.3642588195 -1.2944058381 -0.1548835987 0 -1.8400202885 -1.4964431029 2.2369711724 0 -2.1378392735 0.1377814518 2.7971965964 0 -1.6013874693 -2.6041400398 -0.2042254735 0 -2.3168613251 -1.6814815503 -1.5111288704 0 -0.3434695314 0.9332224132 1.1520210864 0 0.2040692108 -0.099796922 2.4916904981 0 -2.6408517231 -4.1504683704 -1.88527358 0 -3.5033683471 -4.2824160845 -0.3505532964 0 -4.2028844574 -3.3527565225 -1.6824138589 0 -3.3487301893 1.9477281146 2.7130826525 0 -1.6493902301 2.9084617993 -1.0270357227 0 -2.2315261286 4.4605278248 2.8146671961 0 4.6495781681 -1.111748783 0.4357932111 0 2.4997149905 0.7570637859 -2.78917895