Gaussian 16 GINC-BELVIS19 PAULAPLA Optimization triticonazole_Z CONF19 gas EM64L-G16RevC.01 15-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 42 42 84 84 612 (5D, 7F) 6-311+G(d,p) 120 120 C1[X(C17H20ClN3O)] C1[X(C17H20ClN3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 297.6543999999998 0 1 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2609364/Gau-32507.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2609364/" chk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF19/opt-b #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 triticonazole_Z CONF19 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7275 1.3924 0.9697 1.3352 1.449 1.337 1.3133 1.3105 1.344 1.5617 1.5344 1.5328 1.524 1.5199 1.5493 1.5388 1.091 1.0938 1.5056 1.3333 1.093 1.0935 1.0923 1.0902 1.0889 1.0909 1.0916 1.0917 1.0899 1.0908 1.4624 1.0852 1.3978 1.3965 1.0793 1.3826 1.0831 1.3846 1.0801 1.0784 1.3861 1.0812 1.3851 1.0813 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 108.9836 121.2836 109.1463 129.5453 103.207 102.7403 102.1812 108.2769 116.3203 109.4535 112.0999 108.2547 114.2283 110.7381 109.9184 101.3055 115.0379 104.8286 105.7991 111.6606 110.4697 112.3262 110.6463 106.0198 108.6158 122.0848 129.0687 105.1375 112.1404 110.8985 110.3668 112.4344 105.9923 115.2273 108.3965 106.9026 107.3714 111.3667 107.2845 111.4921 112.8024 109.5991 107.2175 107.8073 107.7222 109.668 113.1477 111.8565 106.6647 107.0379 108.1586 128.2673 116.6401 114.9709 118.2912 124.2887 117.4193 110.4904 123.1332 126.3763 121.8439 119.1884 118.9639 121.4315 120.2707 118.2743 114.4134 121.9172 123.6687 119.2434 120.4714 120.2851 119.6165 120.2384 120.1435 119.8017 119.7697 120.4265 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 20 87.7433 -158.6625 -43.3046 -178.8157 -0.4645 -46.4773 73.8218 -170.8172 135.5428 -104.1581 11.2029 0.2669 -179.8521 178.4395 -1.6795 0.529 -179.7737 0.0532 -179.8231 -0.375 179.9336 159.6983 40.6236 -71.7997 44.2238 -74.8509 172.7258 -77.8773 163.048 50.6247 -35.1457 -157.6366 84.6403 79.4683 -43.0226 -160.7457 -160.4012 77.1079 -40.6152 -68.5502 52.1553 172.1693 -179.1797 -58.4741 61.5398 58.3647 179.0702 -60.9158 174.7216 -66.3311 56.1261 -68.2173 50.73 173.1872 52.6088 171.5561 -65.9867 -153.8529 21.0939 -32.307 142.6398 87.6525 -97.4007 60.437 -60.4219 -177.595 -70.1814 168.9597 51.7866 179.4846 58.6257 -58.5474 15.5797 -104.3747 137.3475 137.645 17.6905 -100.5872 -104.0902 135.9553 17.6776 10.9451 132.069 -109.8177 -163.539 -42.4152 75.6982 -176.1014 -0.3444 -2.2733 173.4836 154.2088 -26.1404 -21.6076 158.0432 -178.7678 0.5157 1.5572 -179.1593 179.1173 -2.6747 -1.2291 176.979 -0.7405 179.352 179.9745 0.0669 0.0987 179.6295 -178.144 1.3868 -179.9354 -0.4546 -0.0277 179.4532 -179.7497 0.7693 0.7191 -178.7619 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 634 A 612 A 969 634 1898.3283738919 42 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= 612 RedAO= T EigKep= 1.15D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 7.48D-07 NBFU= 609 Berny optimization. local minimum Step number 15 out of a maximum of 251 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00104 0.00279 0.00348 0.00525 0.00580 0.00748 0.00889 0.01216 0.01652 0.01878 0.02135 0.02145 0.02182 0.02219 0.02229 0.02262 0.02283 0.02287 0.02289 0.02299 0.02597 0.02628 0.02770 0.03076 0.03221 0.04238 0.04450 0.04767 0.05025 0.05158 0.05332 0.05446 0.05482 0.05637 0.05709 0.05817 0.06018 0.06577 0.07113 0.07219 0.07285 0.07707 0.08459 0.09669 0.09969 0.10377 0.11009 0.13234 0.15390 0.15551 0.15869 0.15979 0.15991 0.15995 0.16000 0.16001 0.16001 0.16005 0.16022 0.16046 0.16112 0.16140 0.16768 0.17751 0.20434 0.21321 0.21998 0.23046 0.23573 0.23754 0.24437 0.24839 0.25001 0.26481 0.27041 0.27472 0.28488 0.29208 0.29461 0.30033 0.30998 0.31348 0.32942 0.34377 0.34420 0.34456 0.34552 0.34591 0.34620 0.34696 0.34716 0.34747 0.34799 0.34926 0.35307 0.35573 0.35636 0.35688 0.35847 0.35899 0.36105 0.36472 0.37286 0.37733 0.39671 0.42668 0.43259 0.44197 0.46696 0.47106 0.47961 0.48156 0.49915 0.51087 0.54364 0.54696 0.58402 0.59423 0.62351 0.67644 -6.24677211e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 3.32435 2.67476 1.83782 2.56514 2.76359 2.54743 2.50387 2.49943 2.56502 2.97500 2.91809 2.91462 2.89526 2.89265 2.94277 2.92471 2.06393 2.06916 2.86091 2.53105 2.06827 2.06870 2.06328 2.06010 2.06072 2.06442 2.06688 2.06711 2.06171 2.06490 2.77090 2.05382 2.65949 2.65784 2.03958 2.62551 2.04971 2.62893 2.04070 2.03900 2.62983 2.04566 2.62882 2.04591 1.89204 2.11658 1.90314 2.26343 1.79740 1.79471 1.77805 1.88443 2.02289 1.91881 1.96170 1.89378 1.98358 1.93348 1.90175 1.78025 2.01764 1.83754 1.84580 1.94816 1.91998 1.96317 1.92805 1.85973 1.89661 2.11802 2.26565 1.83845 1.95031 1.94203 1.91787 1.96103 1.85605 2.01234 1.88934 1.86378 1.86206 1.94096 1.89218 1.93077 1.95738 1.91249 1.87219 1.89877 1.89072 1.91329 1.96590 1.94327 1.87067 1.87812 1.88914 2.26632 2.01252 2.00242 2.05904 2.17728 2.04685 1.93025 2.14514 2.20778 2.12833 2.07884 2.07599 2.11970 2.10122 2.06204 1.99924 2.12567 2.15827 2.07798 2.10855 2.09665 2.08566 2.10401 2.09350 2.08792 2.08755 2.10769 1.53794 -2.75312 -0.73950 -3.14116 -0.00716 -0.83616 1.24711 -3.00199 2.31477 -1.88515 0.14893 0.00503 3.14126 3.13819 -0.00878 0.00724 -3.13687 -0.00056 -3.13655 -0.00436 3.13980 2.77381 0.69199 -1.29107 0.75346 -1.32836 2.97177 -1.37412 2.82725 0.84419 -0.62929 -2.76960 1.45294 1.36577 -0.77454 -2.83519 -2.80597 1.33690 -0.72374 -1.16870 0.92069 3.02106 -3.09471 -1.00531 1.09506 1.03669 3.12609 -1.05673 3.03590 -1.16614 0.95975 -1.21245 0.86870 2.99459 0.91330 2.99445 -1.16285 -2.63448 0.43284 -0.51763 2.54970 1.59541 -1.62045 1.06808 -1.03018 -3.09033 -1.19071 2.99421 0.93406 -3.14047 1.04445 -1.01570 0.31862 -1.76324 2.44806 2.44933 0.36747 -1.70441 -1.75827 2.44305 0.37117 0.13276 2.23608 -1.98435 -2.92625 -0.82294 1.23983 -3.08790 -0.01714 -0.03795 3.03282 2.84460 -0.30322 -0.22651 2.90886 -3.12873 0.00484 0.01862 -3.13100 3.13314 -0.03167 -0.01465 3.10374 -0.00889 3.13436 3.14071 0.00078 0.00115 3.13664 -3.11774 0.01776 -3.14010 -0.00546 -0.00015 3.13448 -3.13929 0.00926 0.00836 -3.12627 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -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 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -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 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00002 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00002 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00005 -0.00005 -0.00007 0.00004 0.00004 0.00005 0.00006 0.00005 0.00005 0.00007 0.00005 -0.00006 -0.00002 -0.00006 -0.00002 -0.00001 -0.00002 0.00005 0.00000 -0.00002 -0.00002 -0.00004 -0.00002 -0.00003 -0.00004 -0.00002 -0.00003 -0.00004 -0.00002 -0.00003 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00000 0.00001 0.00004 0.00005 0.00004 0.00005 0.00006 0.00007 0.00002 0.00001 0.00002 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 0.00003 0.00004 0.00004 0.00004 0.00004 0.00005 0.00003 0.00004 0.00004 -0.00005 -0.00006 -0.00006 -0.00006 -0.00007 -0.00007 -0.00002 -0.00000 -0.00001 0.00001 0.00012 0.00012 0.00010 0.00010 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00002 0.00001 0.00000 0.00001 0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00003 -0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00003 -0.00003 -0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00002 -0.00000 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00004 0.00003 0.00001 0.00002 -0.00002 0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00007 -0.00006 -0.00004 -0.00016 -0.00014 -0.00004 -0.00004 -0.00006 -0.00005 -0.00006 -0.00008 0.00021 0.00006 0.00023 0.00007 0.00004 0.00006 -0.00018 -0.00002 0.00009 0.00006 0.00008 0.00005 0.00005 0.00008 0.00005 0.00005 0.00007 0.00004 0.00004 -0.00007 -0.00007 -0.00006 -0.00007 -0.00007 -0.00007 -0.00006 -0.00006 -0.00006 -0.00009 -0.00009 -0.00008 -0.00007 -0.00007 -0.00007 -0.00008 -0.00008 -0.00008 0.00002 0.00002 0.00002 0.00001 0.00000 0.00001 0.00002 0.00001 0.00002 -0.00003 -0.00000 -0.00002 0.00001 -0.00004 -0.00001 0.00002 0.00003 0.00005 0.00004 0.00005 0.00007 0.00006 0.00006 0.00008 0.00005 0.00006 0.00005 0.00005 0.00006 0.00005 0.00005 0.00006 0.00005 -0.00002 -0.00002 -0.00003 -0.00006 -0.00006 -0.00007 -0.00002 0.00001 0.00002 0.00005 0.00008 0.00011 0.00005 0.00008 0.00001 0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00002 0.00004 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00003 -0.00002 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00003 0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00002 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00003 -0.00002 -0.00001 -0.00000 0.00002 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00003 0.00001 0.00001 0.00001 -0.00001 -0.00002 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00002 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00002 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00013 -0.00011 -0.00011 -0.00011 -0.00010 0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00003 0.00015 0.00004 0.00017 0.00005 0.00002 0.00005 -0.00013 -0.00001 0.00006 0.00004 0.00004 0.00003 0.00002 0.00005 0.00003 0.00002 0.00004 0.00002 0.00001 -0.00007 -0.00008 -0.00007 -0.00007 -0.00008 -0.00007 -0.00007 -0.00008 -0.00007 -0.00010 -0.00010 -0.00010 -0.00009 -0.00009 -0.00009 -0.00009 -0.00009 -0.00008 0.00004 0.00003 0.00004 0.00002 0.00002 0.00003 0.00002 0.00002 0.00002 0.00001 0.00005 0.00002 0.00007 0.00001 0.00006 0.00004 0.00004 0.00007 0.00005 0.00005 0.00008 0.00005 0.00005 0.00008 0.00008 0.00010 0.00009 0.00009 0.00010 0.00010 0.00008 0.00010 0.00009 -0.00007 -0.00008 -0.00009 -0.00012 -0.00013 -0.00014 -0.00004 0.00001 0.00002 0.00006 0.00020 0.00023 0.00015 0.00018 0.00001 0.00001 -0.00002 -0.00001 -0.00001 0.00002 0.00002 0.00004 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00003 -0.00002 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00002 3.32434 2.67477 1.83781 2.56515 2.76359 2.54743 2.50386 2.49944 2.56503 2.97497 2.91810 2.91462 2.89526 2.89267 2.94276 2.92471 2.06393 2.06916 2.86091 2.53105 2.06827 2.06870 2.06328 2.06011 2.06072 2.06442 2.06689 2.06711 2.06172 2.06490 2.77090 2.05382 2.65949 2.65784 2.03958 2.62552 2.04971 2.62894 2.04071 2.03900 2.62983 2.04566 2.62882 2.04591 1.89203 2.11657 1.90315 2.26343 1.79739 1.79470 1.77804 1.88444 2.02290 1.91881 1.96170 1.89377 1.98359 1.93349 1.90173 1.78025 2.01762 1.83756 1.84579 1.94817 1.91998 1.96319 1.92806 1.85972 1.89661 2.11805 2.26562 1.83844 1.95031 1.94205 1.91787 1.96104 1.85605 2.01235 1.88934 1.86379 1.86207 1.94097 1.89214 1.93078 1.95739 1.91250 1.87218 1.89875 1.89072 1.91330 1.96591 1.94328 1.87066 1.87811 1.88913 2.26630 2.01254 2.00242 2.05905 2.17727 2.04685 1.93025 2.14516 2.20776 2.12833 2.07884 2.07599 2.11970 2.10122 2.06204 1.99925 2.12567 2.15826 2.07798 2.10855 2.09665 2.08567 2.10400 2.09350 2.08792 2.08756 2.10768 1.53781 -2.75324 -0.73960 -3.14127 -0.00727 -0.83615 1.24713 -3.00201 2.31477 -1.88515 0.14891 0.00519 3.14130 3.13835 -0.00872 0.00726 -3.13683 -0.00069 -3.13656 -0.00430 3.13984 2.77385 0.69202 -1.29105 0.75350 -1.32833 2.97179 -1.37408 2.82727 0.84421 -0.62937 -2.76968 1.45286 1.36570 -0.77462 -2.83525 -2.80604 1.33682 -0.72381 -1.16881 0.92059 3.02097 -3.09480 -1.00540 1.09497 1.03660 3.12600 -1.05681 3.03593 -1.16611 0.95979 -1.21243 0.86872 2.99461 0.91332 2.99447 -1.16282 -2.63448 0.43289 -0.51760 2.54977 1.59543 -1.62039 1.06813 -1.03014 -3.09026 -1.19066 2.99426 0.93414 -3.14042 1.04450 -1.01562 0.31870 -1.76315 2.44816 2.44942 0.36757 -1.70431 -1.75819 2.44315 0.37127 0.13269 2.23599 -1.98444 -2.92637 -0.82307 1.23968 -3.08794 -0.01713 -0.03793 3.03288 2.84480 -0.30300 -0.22635 2.90904 -3.12873 0.00485 0.01860 -3.13101 3.13312 -0.03165 -0.01463 3.10378 -0.00888 3.13437 3.14072 0.00078 0.00115 3.13665 -3.11777 0.01774 -3.14011 -0.00546 -0.00016 3.13448 -3.13928 0.00925 0.00836 -3.12629 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000003 0.000796 0.000174 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.368005e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7592 1.4154 0.9725 1.3574 1.4624 1.348 1.325 1.3226 1.3574 1.5743 1.5442 1.5424 1.5321 1.5307 1.5572 1.5477 1.0922 1.095 1.5139 1.3394 1.0945 1.0947 1.0918 1.0902 1.0905 1.0924 1.0937 1.0939 1.091 1.0927 1.4663 1.0868 1.4073 1.4065 1.0793 1.3894 1.0847 1.3912 1.0799 1.079 1.3916 1.0825 1.3911 1.0826 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 108.4058 121.2709 109.0422 129.6852 102.9836 102.8292 101.8748 107.97 115.9033 109.9398 112.3974 108.5054 113.6506 110.7802 108.9622 102.0011 115.602 105.2835 105.7565 111.6215 110.0066 112.4816 110.4693 106.5546 108.6676 121.3539 129.812 105.3356 111.7445 111.2703 109.8859 112.3589 106.344 115.2988 108.2514 106.7868 106.6883 111.2086 108.4136 110.6248 112.1496 109.5778 107.2688 108.7912 108.3305 109.6236 112.6377 111.3409 107.1815 107.6085 108.2398 129.8508 115.3091 114.7303 117.9744 124.7488 117.2759 110.5951 122.9076 126.4964 121.9443 119.1088 118.9454 121.45 120.3909 118.1462 114.5481 121.7918 123.6599 119.0595 120.8113 120.1291 119.4997 120.5507 119.9487 119.6291 119.6081 120.7617 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 88.1172 -157.7423 -42.3701 -179.9751 -0.4103 -47.9083 71.454 -172.0014 132.6264 -108.0113 8.5333 0.2883 179.9807 179.8049 -0.5028 0.4148 -179.7295 -0.0323 -179.711 -0.2499 179.8975 158.9273 39.6481 -73.9728 43.1699 -76.1093 170.2697 -78.7311 161.9897 48.3688 -36.0558 -158.6866 83.2471 78.253 -44.3778 -162.4441 -160.7702 76.599 -41.4673 -66.9618 52.7518 173.0941 -177.3138 -57.6001 62.7422 59.3981 179.1117 -60.546 173.9442 -66.8148 54.9898 -69.4685 49.7726 171.5771 52.3282 171.5692 -66.6262 -150.9448 24.8001 -29.6579 146.087 91.4103 -92.8448 61.1967 -59.0248 -177.0626 -68.2228 171.5557 53.5179 -179.9358 59.8427 -58.1951 18.2554 -101.0265 140.2637 140.3362 21.0544 -97.6554 -100.7416 139.9765 21.2667 7.6069 128.1177 -113.6947 -167.6616 -47.1508 71.0368 -176.9239 -0.9818 -2.1744 173.7677 162.9834 -17.3735 -12.9779 166.6653 -179.2631 0.2773 1.0668 -179.3928 179.5155 -1.8144 -0.8391 177.831 -0.5093 179.5857 179.9496 0.0447 0.0657 179.7165 -178.6333 1.0174 -179.9144 -0.3131 -0.0087 179.5925 -179.868 0.5307 0.4791 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0502852721 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.661143 0.000000 10.433320 2.952031 0.000000 10.978941 2.774616 1.335205 0.000000 12.588977 4.846146 2.175238 2.233914 0.000000 9.035332 2.482379 3.234017 3.700612 4.930444 0.000000 8.384275 1.392356 2.532449 2.986361 4.607924 1.561696 0.000000 8.504974 3.670176 3.956777 4.791020 5.655748 1.534432 2.409283 0.000000 6.919365 2.397407 3.776360 4.387270 5.923636 2.383218 1.519924 2.417634 0.000000 7.019722 3.644856 4.423547 5.272487 6.411463 2.451184 2.457243 1.538846 1.505608 0.000000 9.017780 2.410131 1.448957 2.427238 3.589795 2.624331 1.549281 3.059781 2.432232 3.138424 0.000000 8.827493 2.813128 4.534482 4.684646 6.175856 1.532775 2.507925 2.504091 2.946726 3.093501 3.927009 0.000000 10.553058 3.261742 3.042101 3.359483 4.105991 1.523981 2.621438 2.537036 3.796097 3.809215 3.126251 2.476961 0.000000 5.985550 2.762548 4.610558 5.033890 6.781179 3.576876 2.498153 3.711841 1.333311 2.564168 3.292997 3.802233 4.980272 0.000000 4.524862 4.191690 5.987758 6.475617 8.160487 4.784466 3.899646 4.605756 2.516238 3.188322 4.610277 4.835875 6.260596 1.462387 0.000000 11.482644 4.264535 1.336981 2.177448 1.310522 4.110886 3.722166 4.605568 4.884927 5.263377 2.520677 5.507807 3.556026 5.807662 7.125415 0.000000 3.980731 4.851539 6.992740 7.285402 9.143941 5.829736 4.905092 5.843196 3.692903 4.498905 5.703012 5.628862 7.290280 2.455649 1.397837 8.204773 0.000000 3.984370 5.233572 6.595571 7.299948 8.734944 5.298761 4.624652 4.702760 3.116631 3.167703 5.151849 5.484907 6.770394 2.527798 1.396490 7.582047 2.387881 0.000000 12.250430 4.053380 2.075765 1.313305 1.344049 4.657171 4.189300 5.684516 5.608472 6.349100 3.469126 5.680366 3.938589 6.321758 7.755856 2.073844 8.590099 8.522242 0.000000 2.699134 6.225828 8.302759 8.648527 10.461100 7.045631 6.212520 6.891952 4.903222 5.470319 6.972102 6.783825 8.538766 3.743906 2.430042 9.478923 1.382650 2.771372 9.948727 0.000000 2.697891 6.530492 7.968338 8.660787 10.102790 6.611700 5.992431 5.950380 4.481989 4.433078 6.524985 6.666876 8.098260 3.790526 2.425720 8.941009 2.763012 1.384641 9.889773 2.405027 0.000000 1.727466 6.946471 8.726251 9.256790 10.888613 7.375648 6.666305 6.929162 5.214606 5.434372 7.318085 7.231962 8.888611 4.258304 2.797408 9.801040 2.388584 2.394005 10.531015 1.386064 1.385086 0.000000 8.769252 4.505021 4.930535 5.697067 6.471568 2.186430 3.370283 1.090968 3.286993 2.198583 4.133641 2.639113 2.947108 4.487501 5.207669 5.488290 6.388332 5.185311 6.521286 7.331842 6.306082 7.287106 0.000000 9.136858 4.198008 3.662056 4.698376 5.143750 2.173664 2.852163 1.093814 3.042363 2.179787 2.934117 3.439147 2.654949 4.353700 5.266467 4.023398 6.578017 5.242566 5.421223 7.619979 6.494687 7.575811 1.745073 0.000000 6.400147 4.265038 5.452062 6.207349 7.444821 3.091431 3.274887 2.197805 2.146352 1.092959 4.172274 3.243396 4.501783 2.826319 3.039788 6.327026 4.230823 2.862735 7.317793 5.031528 3.943981 4.903610 2.385536 3.003527 0.000000 6.928342 4.397821 4.658572 5.686527 6.578718 3.308911 3.143615 2.182696 2.172342 1.093461 3.343095 4.151332 4.494455 3.035058 3.425439 5.333804 4.815185 3.045148 6.692836 5.659274 4.243901 5.416588 2.816382 2.335810 1.746065 0.000000 8.580793 2.640918 2.071584 2.811126 4.093650 3.523794 2.145646 3.891262 2.603483 3.573879 1.092267 4.653140 4.171660 3.036336 4.263282 3.107312 5.255679 4.874342 3.884458 6.503645 6.195499 6.900322 4.979317 3.826170 4.543281 3.641568 0.000000 9.005523 3.355640 2.050960 3.284490 3.885480 2.837970 2.195314 2.722185 2.662178 2.845435 1.090156 4.278254 3.316450 3.677704 4.806447 2.625001 6.048451 5.050941 4.110036 7.215473 6.395452 7.357120 3.771621 2.282911 3.937767 2.760469 1.757574 0.000000 9.387075 2.604644 4.600684 4.433495 6.094706 2.181303 2.826710 3.466760 3.546319 4.020729 4.227056 1.088899 2.717840 4.207700 5.332796 5.627833 5.945392 6.178821 5.394956 7.157643 7.356861 7.779997 3.681276 4.300343 4.219351 5.067172 4.889958 4.794702 0.000000 7.810782 2.964793 5.088675 5.288867 6.929791 2.199008 2.712958 2.768970 2.595195 2.804017 4.223337 1.090933 3.454829 3.182113 4.001713 6.164204 4.704635 4.671859 6.406436 5.792050 5.768127 6.247154 2.900192 3.826540 2.672149 3.895890 4.756775 4.561776 1.754731 0.000000 9.360234 3.878346 5.282031 5.482677 6.734101 2.159519 3.461791 2.746044 3.820644 3.593336 4.760589 1.091612 2.711478 4.737336 5.635240 6.094936 6.443785 6.120635 6.344943 7.500932 7.226767 7.842080 2.440603 3.634639 3.583087 4.604826 5.579611 4.951637 1.761914 1.762601 0.000000 11.018088 4.170324 4.098314 4.387106 4.931274 2.152726 3.543766 2.843904 4.524120 4.275447 4.159767 2.642440 1.091694 5.726631 6.904380 4.460836 7.925726 7.326326 4.836571 9.113370 8.596138 9.405099 2.838554 3.009323 4.790260 4.989769 5.213253 4.218438 2.946698 3.674326 2.415989 0.000000 10.946032 3.792594 2.610666 3.213725 3.403667 2.194620 2.972000 2.760679 4.132240 4.042289 2.918378 3.453490 1.089925 5.369282 6.647494 2.762286 7.776524 7.040485 3.575003 9.017608 8.388041 9.280814 3.282194 2.425529 4.885471 4.486811 4.002147 2.882619 3.766645 4.339960 3.683781 1.749905 0.000000 11.037054 3.043434 2.993777 2.855937 3.827110 2.179482 2.877880 3.491615 4.255387 4.587888 3.389223 2.784507 1.090814 5.276697 6.644255 3.585905 7.538746 7.335814 3.363986 8.846176 8.674643 9.346293 3.943567 3.670942 5.269272 5.326017 4.330498 3.860963 2.579062 3.786243 3.150315 1.754853 1.766027 0.000000 9.565475 0.969670 2.483638 1.947750 4.119271 2.877902 1.938375 4.178202 3.214621 4.375714 2.452849 3.369837 3.204482 3.640310 5.083969 3.747733 5.727035 6.107033 3.187050 7.108444 7.420555 7.848555 5.029244 4.532421 5.094946 5.053820 2.728421 3.488761 2.994059 3.744999 4.354252 4.177237 3.618169 2.734464 0.000000 6.487585 2.362149 4.515138 4.674485 6.617958 3.931773 2.646401 4.419333 2.062265 3.496675 3.396310 4.079520 5.188778 1.085206 2.157816 5.796239 2.627406 3.425443 5.981081 4.001928 4.567995 4.791498 5.242068 5.035215 3.825914 4.009245 2.980837 4.049822 4.207702 3.553448 5.114219 6.017821 5.616737 5.262929 3.157199 0.000000 11.483677 4.952214 2.128367 3.206318 2.135466 4.424169 4.153503 4.559823 5.091762 5.209925 2.857598 5.918520 3.943903 6.085201 7.290063 1.079323 8.472065 7.550649 3.130735 9.675534 8.873338 9.848025 5.399224 3.770181 6.285727 5.087083 3.438262 2.525945 6.212135 6.532469 6.417299 4.738520 2.990665 4.231416 4.585531 6.238886 0.000000 4.828652 4.505989 6.889987 6.983917 8.983828 5.870607 4.866416 6.159312 3.918171 4.972701 5.732133 5.564637 7.252343 2.641409 2.145613 8.166207 1.083072 3.372682 8.288102 2.129584 3.846045 3.366172 6.746805 6.928141 4.802789 5.428469 5.258907 6.258647 5.680921 4.693627 6.451836 7.925435 7.805780 7.344143 5.323559 2.374851 8.565554 0.000000 4.819271 5.239056 6.164998 7.028299 8.237879 4.921310 4.373195 4.085694 2.913627 2.577812 4.722202 5.339106 6.317806 2.778920 2.153458 7.020410 3.376648 1.080074 8.178247 3.850719 2.121467 3.362234 4.576289 4.472038 2.429122 2.163078 4.562356 4.413960 6.146399 4.673277 5.901837 6.850270 6.462985 6.997305 6.054128 3.793243 6.863313 4.279541 0.000000 13.028758 4.639091 3.113992 2.094114 2.139290 5.437118 5.009195 6.589073 6.458609 7.275331 4.451603 6.281648 4.638374 7.088456 8.533236 3.116251 9.262328 9.391713 1.078415 10.634980 10.748820 11.309190 7.376437 6.395531 8.200531 7.687324 4.799269 5.160123 5.833041 7.033437 6.925053 5.446075 4.398717 3.877201 3.694913 6.635091 4.143761 8.857441 9.115075 0.000000 2.846570 6.881728 9.111066 9.345598 11.247679 7.888175 7.033588 7.846842 5.813409 6.469392 7.834260 7.510859 9.361698 4.599415 3.407613 10.326002 2.144020 3.852551 10.649236 1.081181 3.385194 2.145136 8.271336 8.611754 6.014086 6.713469 7.326752 8.159540 7.778121 6.503612 8.232851 9.934253 9.892877 9.589433 7.736373 4.673885 10.585221 2.455464 4.931819 11.267871 0.000000 2.842422 7.369052 8.563900 9.366434 10.649396 7.193549 6.687769 6.334574 5.175933 4.860358 7.116747 7.328286 8.641819 4.668131 3.403004 9.434274 3.844187 2.143432 10.551633 3.384415 1.081265 2.142833 6.604276 6.779566 4.342932 4.490397 6.834173 6.836051 8.107634 6.472090 7.791581 9.082697 8.856604 9.310550 8.242917 5.520792 9.250883 4.927193 2.440954 11.459018 4.277664 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7161096 0.1013275 0.0979281 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.713098 0.000000 10.484939 2.969078 0.000000 11.026725 2.797642 1.357413 0.000000 12.661202 4.874173 2.195670 2.256631 0.000000 9.203020 2.503927 3.250348 3.730711 4.926976 0.000000 8.464098 1.415421 2.551497 3.026800 4.634219 1.574303 0.000000 8.691731 3.697557 4.001931 4.849171 5.685810 1.544186 2.421449 0.000000 7.004540 2.425676 3.810363 4.439756 5.968828 2.413235 1.530726 2.434478 0.000000 7.171549 3.669390 4.495290 5.350239 6.483911 2.465323 2.473579 1.547690 1.513927 0.000000 9.064090 2.420929 1.462430 2.458081 3.623979 2.649941 1.557248 3.108533 2.454551 3.210010 0.000000 9.051349 2.812919 4.540233 4.687893 6.153863 1.542351 2.521016 2.527412 2.991488 3.105458 3.949822 0.000000 10.720575 3.284218 3.027926 3.364450 4.053444 1.532104 2.633087 2.556319 3.824823 3.834482 3.131470 2.495239 0.000000 6.033416 2.786260 4.607448 5.053753 6.799673 3.623645 2.504116 3.744267 1.339375 2.585048 3.270317 3.888282 5.018622 0.000000 4.569195 4.210839 5.995329 6.496233 8.189311 4.861467 3.920846 4.680724 2.541825 3.248790 4.604404 4.957815 6.329771 1.466297 0.000000 11.552093 4.286153 1.348043 2.203138 1.322641 4.107565 3.737521 4.634967 4.918985 5.334461 2.544347 5.496969 3.506759 5.810076 7.142780 0.000000 4.018528 4.860932 6.928846 7.233678 9.096194 5.959790 4.927276 5.975558 3.735604 4.604070 5.632416 5.857523 7.401576 2.463044 1.407340 8.147287 0.000000 4.022918 5.269984 6.693794 7.399349 8.857968 5.351485 4.666868 4.754923 3.146087 3.209902 5.237957 5.531841 6.830965 2.545413 1.406470 7.698702 2.402700 0.000000 12.309937 4.082507 2.099129 1.324991 1.357351 4.670301 4.226738 5.729306 5.662017 6.424429 3.505085 5.665922 3.914893 6.348921 7.785913 2.095007 8.545880 8.634976 0.000000 2.729831 6.240748 8.257348 8.608781 10.429716 7.194408 6.248840 7.051467 4.957586 5.596980 6.923872 7.028166 8.673331 3.759042 2.445406 9.441603 1.389362 2.787993 9.916102 0.000000 2.729102 6.566398 8.058998 8.748997 10.220705 6.696263 6.043836 6.044730 4.525785 4.511217 6.603564 6.758649 8.189262 3.811709 2.440345 9.053892 2.778065 1.391170 9.993235 2.419131 0.000000 1.759168 6.969340 8.746422 9.277568 10.929684 7.500497 6.711053 7.069023 5.265301 5.546557 7.331003 7.411025 9.009973 4.274489 2.810032 9.837037 2.396930 2.403428 10.563156 1.391645 1.391110 0.000000 9.028898 4.534981 4.966197 5.744224 6.479290 2.195510 3.387391 1.092183 3.318918 2.209288 4.180068 2.672554 2.962046 4.549274 5.324519 5.500811 6.597856 5.248893 6.547835 7.577146 6.429180 7.492196 0.000000 9.278498 4.213159 3.698442 4.753275 5.176598 2.177240 2.844154 1.094952 3.029154 2.186211 2.961651 3.461548 2.672790 4.340779 5.293653 4.049621 6.634545 5.283543 5.468390 7.707226 6.571747 7.668651 1.753074 0.000000 6.637009 4.245693 5.501387 6.249444 7.492347 3.073884 3.263612 2.201888 2.148741 1.094479 4.227496 3.208643 4.500548 2.864585 3.150941 6.382048 4.422927 2.924385 7.358184 5.256556 4.067413 5.097864 2.399524 3.023274 0.000000 7.014315 4.453750 4.789697 5.822196 6.721407 3.342189 3.188411 2.196128 2.179739 1.094708 3.465918 4.170793 4.543911 3.029692 3.435403 5.473031 4.842726 3.065480 6.833339 5.704852 4.287087 5.465475 2.813288 2.358148 1.752310 0.000000 8.586379 2.622380 2.081098 2.819755 4.141078 3.543285 2.143278 3.945326 2.625801 3.658888 1.091838 4.663867 4.169678 2.992946 4.231954 3.149587 5.110763 4.978525 3.915100 6.384621 6.276604 6.876375 5.034080 3.861989 4.614586 3.789902 0.000000 9.070193 3.370128 2.061077 3.315640 3.914642 2.873967 2.200400 2.788206 2.679181 2.935525 1.090159 4.321010 3.331122 3.647671 4.802020 2.642646 5.984700 5.146783 4.143656 7.178309 6.489882 7.384488 3.836532 2.326973 4.026723 2.905445 1.769891 0.000000 9.571141 2.564440 4.564492 4.389126 6.035172 2.180114 2.811849 3.482267 3.565460 4.018737 4.207971 1.090484 2.732060 4.265841 5.421178 5.579960 6.135651 6.201066 5.338022 7.361237 7.417719 7.919885 3.715666 4.311946 4.172425 5.076360 4.847949 4.797806 0.000000 8.044413 2.959009 5.097535 5.297005 6.920136 2.200638 2.717604 2.776971 2.632497 2.796170 4.243575 1.092444 3.468507 3.279767 4.138939 6.161901 4.975594 4.704230 6.402459 6.071750 5.851211 6.439554 2.924403 3.831722 2.614741 3.887718 4.768514 4.599578 1.757804 0.000000 9.644324 3.879473 5.288419 5.480838 6.698186 2.169257 3.478848 2.780362 3.873421 3.617170 4.791655 1.093748 2.727096 4.835063 5.783518 6.078725 6.720277 6.182880 6.317234 7.805797 7.346862 8.072372 2.488761 3.675494 3.566787 4.630657 5.601626 5.009174 1.775904 1.772366 0.000000 11.238632 4.186564 4.088074 4.382662 4.864804 2.160917 3.558450 2.873578 4.562301 4.307223 4.175960 2.658229 1.093865 5.782857 7.001429 4.411837 8.090922 7.395913 4.795938 9.308545 8.708351 9.572381 2.865219 3.049557 4.796110 5.040264 5.222464 4.253172 2.966160 3.689109 2.430144 0.000000 11.073571 3.820480 2.610286 3.248425 3.377105 2.196455 2.977413 2.765698 4.142802 4.059734 2.921249 3.468163 1.091012 5.377691 6.683156 2.722251 7.829181 7.092545 3.587725 9.094034 8.464161 9.363730 3.279055 2.428827 4.885893 4.534468 4.003616 2.883878 3.777332 4.346386 3.698775 1.758386 0.000000 11.169803 3.043359 2.928985 2.804752 3.727198 2.181699 2.870323 3.505705 4.269427 4.601852 3.353387 2.801228 1.092696 5.298562 6.690699 3.492275 7.619552 7.378020 3.286962 8.946470 8.741192 9.435709 3.962587 3.678507 5.253501 5.365658 4.279480 3.836514 2.592532 3.799046 3.167674 1.764565 1.769340 0.000000 9.598465 0.972530 2.481686 1.953735 4.135322 2.895713 1.954099 4.204502 3.236817 4.402724 2.445128 3.367836 3.221510 3.649482 5.088971 3.753905 5.702541 6.146677 3.205625 7.090888 7.455051 7.853888 5.055978 4.547499 5.080148 5.118440 2.686456 3.485636 2.953498 3.740305 4.351017 4.186622 3.646144 2.725594 0.000000 6.522857 2.358192 4.453766 4.638841 6.583866 3.953366 2.620732 4.429963 2.054201 3.504383 3.314855 4.150816 5.196138 1.086833 2.159770 5.743441 2.605814 3.455831 5.957135 3.991987 4.594184 4.797228 5.284838 4.995866 3.846951 4.003845 2.858962 3.965006 4.253226 3.645994 5.194884 6.044071 5.591622 5.252961 3.131087 0.000000 11.561694 4.968550 2.136121 3.231770 2.147644 4.411436 4.157906 4.579687 5.115805 5.278600 2.876662 5.905897 3.884540 6.077263 7.303349 1.079300 8.410517 7.672151 3.152074 9.638016 8.995393 9.889349 5.402407 3.785860 6.350111 5.226610 3.489504 2.540350 6.165371 6.527904 6.402061 4.683625 2.927159 4.136378 4.586225 6.176287 0.000000 4.866488 4.505185 6.760442 6.868719 8.865731 6.015867 4.876542 6.300056 3.958462 5.079863 5.601120 5.846234 7.370693 2.645698 2.154591 8.038477 1.084659 3.388807 8.178334 2.136703 3.862689 3.376293 6.979161 6.975528 5.001118 5.450167 5.020406 6.135908 5.930380 5.034091 6.785528 8.109727 7.848625 7.431812 5.272893 2.331019 8.431654 0.000000 4.854807 5.289291 6.342880 7.198408 8.442666 4.920943 4.422525 4.067611 2.930432 2.551417 4.888963 5.284344 6.340920 2.802104 2.163579 7.223242 3.392532 1.079892 8.364630 3.867317 2.125764 3.370903 4.522313 4.486160 2.348102 2.167287 4.791008 4.598340 6.084894 4.579824 5.837416 6.854272 6.505357 7.013260 6.124459 3.843349 7.077865 4.297524 0.000000 13.083163 4.672438 3.138436 2.103855 2.151776 5.451296 5.051220 6.632115 6.515611 7.346914 4.488810 6.262687 4.620264 7.124069 8.567312 3.137588 9.224248 9.501053 1.078992 10.604192 10.847406 11.338989 7.399751 6.442759 8.231483 7.823280 4.827962 5.194692 5.774002 7.025770 6.887618 5.403074 4.420677 3.814841 3.723305 6.625474 4.165515 8.757989 9.293043 0.000000 2.866695 6.895072 9.028699 9.268250 11.172516 8.061439 7.070892 8.030140 5.874020 6.611112 7.755159 7.806922 9.517466 4.617621 3.426202 10.247068 2.154739 3.870493 10.575427 1.082514 3.398225 2.149619 8.558044 8.709566 6.265227 6.763100 7.155632 8.092087 8.035236 6.843523 8.602512 10.164759 9.977031 9.708611 7.707105 4.660147 10.504913 2.468864 4.949716 11.196271 0.000000 2.862507 7.414438 8.706439 9.499660 10.825837 7.264910 6.750285 6.415888 5.222363 4.928263 7.244248 7.378127 8.728105 4.695320 3.421051 9.607817 3.860648 2.153750 10.704779 3.397180 1.082649 2.147338 6.693607 6.867272 4.432049 4.544266 6.984369 6.986862 8.131679 6.499427 7.859167 9.178065 8.943905 9.374972 8.296234 5.558502 9.441440 4.945240 2.451029 11.603487 4.287663 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6927814 0.1002895 0.0959571 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= 620 620 620 620 620 MxSgAt= 42 MxSgA2= 42. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.7658227133 42 42 42 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 -0.0503230168 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1876.6303272129 42 42 42 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 -0.0491605835 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.3041454347 42 42 42 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 -0.0500296584 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1885.1325573938 42 42 42 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 -0.0502129674 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.6776462515 42 42 42 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 -0.0501563617 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1885.0500762760 42 42 42 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 -0.0501902402 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.7627888876 42 42 42 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 -0.0501692139 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.5685849494 42 42 42 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 -0.0501545262 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.3343596291 42 42 42 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 -0.0501358544 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.2792121938 42 42 42 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 -0.0501309290 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.2249013066 42 42 42 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 -0.0501228002 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.2245131556 42 42 42 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 -0.0501214155 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.2133815804 42 42 42 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 -0.0501205879 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.2009823105 42 42 42 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 -0.0501191883 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= 612 RedAO= T EigKep= 1.02D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 6.25D-07 NBFU= 609 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= 619 619 619 619 619 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.20969566553 -1359.43341261023 -0.223716944708 -1359.76977309527 -0.336360485035 -1359.79798243102 -0.028209335751 -1359.81636327193 -0.018380840912 -1359.81733633025 -0.000973058319 -1359.81742278478 -0.000086454525 -1359.81743381642 -0.000011031646 -1359.81743431443 -0.000000498006 -1359.81743445698 -0.000000142555 -1359.81743446341 -0.000000006423 -1359.81743446504 -0.000000001635 -1359.81743446524 -0.000000000197 -1359.81743446509 0.000000000148 -1359.81743446516 -0.000000000065 -1359.81743447 15 1.355436226250e+03 -6.982124948497e+03 2.368593199161e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 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. -3.09663381e-01 4.41196001e-01 -7.18410483e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.013772602 0.004983041 -0.001063229 0.000501248 -0.002546292 0.013037525 0.008293778 0.005110496 -0.006660194 0.004907819 0.001949002 0.018608111 -0.012994980 -0.006609359 -0.005389131 -0.004152194 0.002145952 -0.000244041 0.002471449 0.001727972 -0.008565055 -0.001802210 0.002972678 -0.005152564 0.002319492 -0.000280272 -0.001233003 0.002930638 0.002098333 -0.003134090 0.005905680 -0.001272674 -0.004503560 0.000072129 0.004579967 0.004484508 -0.004686240 -0.001155418 -0.000456589 0.002272574 -0.002083549 0.001639052 -0.003832049 -0.001506680 0.000849132 0.002310238 0.001819916 -0.016957331 -0.000620631 -0.001673045 0.005460175 -0.002475292 0.000538924 -0.005823627 -0.011045480 -0.007030426 0.011293617 0.002226932 -0.000510087 0.004962657 0.000613878 0.001401804 -0.005263448 -0.005692598 -0.002030203 0.000476159 -0.000467897 0.000916926 0.000198908 -0.000467916 -0.000796486 -0.000266190 0.000629138 0.000444406 0.000482349 0.000551991 -0.000482152 -0.000674720 0.000156024 0.000137752 0.001755384 -0.000490433 0.000711585 0.000057482 -0.000037092 -0.001938981 0.000967309 0.001217903 -0.000632986 -0.000190606 -0.000886607 0.001321940 -0.000942537 -0.000502318 0.001678482 -0.000228950 0.000496237 -0.001214810 -0.000738250 0.000220865 -0.001247592 0.001324465 -0.001708280 -0.001801964 0.000014523 -0.001445467 -0.000197534 0.000772632 0.000393495 0.000325768 -0.000076393 -0.000470020 -0.000498675 0.001054657 -0.000192420 0.000047208 -0.000229832 -0.000298474 -0.000070914 0.000539980 0.001091037 0.000196538 0.000596449 0.000913449 0.000471410 -0.000781736 0.018608111 0.004251535 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1359.82061058840 -1359.82061493963 -0.000004351227 -1359.82061485331 0.000000086319 -1359.82061502159 -0.000000168282 -1359.82061502384 -0.000000002254 -1359.82061502460 -0.000000000759 -1359.82061502466 -0.000000000060 -1359.82061502473 -0.000000000069 -1359.82061502471 0.000000000020 -1359.82061502 9 1.354832462932e+03 -6.953402671509e+03 2.354598730430e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 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) PT126247.700S Sun Aug 15 03:47:03 2021 -3.60497652e-01 4.97219417e-01 -7.40462877e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1359.820615 5.196E-9 3.971E-6 -11.9328915,1.3337442,10.5991473,-8.311855,0.4612758,-3.050608 C01 [X(C17H20Cl1N3O1)] -0.3995838 0.1648023 -0.859444 -0.000003818 -0.000001189 -0.000000484 -0.000002335 -0.000008491 0.000000953 -0.000000902 0.000007215 0.000001103 0.000008154 -0.000004244 0.000009919 -0.000019806 0.000006011 -0.000008187 0.000003047 -0.000007293 0.000004642 -0.000003243 0.000005859 -0.000001719 0.000002872 0.000000024 -0.000000691 0.000005161 0.000003733 0.000002745 0.000002643 0.000000770 -0.000003485 -0.000012121 0.000007825 0.000004799 0.000001976 -0.000002970 -0.000002630 0.000001845 0.000000099 0.000001768 -0.000005302 0.000000405 -0.000001672 0.000001938 -0.000000114 -0.000003000 0.000010816 -0.000009283 -0.000001820 -0.000001260 -0.000000847 0.000002824 -0.000002948 -0.000000774 -0.000000451 0.000007418 0.000000856 -0.000000986 -0.000001155 -0.000000744 -0.000000070 -0.000002110 -0.000000376 -0.000001334 0.000014522 0.000003663 -0.000001197 -0.000001155 0.000000162 0.000000364 -0.000001387 -0.000000203 -0.000001232 0.000001937 0.000000582 0.000000626 0.000001556 0.000001369 0.000000281 0.000001304 -0.000001116 -0.000002113 0.000003069 -0.000000920 -0.000003201 -0.000000744 0.000000914 0.000003208 0.000001077 -0.000000202 0.000002107 -0.000000601 0.000001810 0.000001783 -0.000001607 0.000000682 0.000000345 -0.000001659 -0.000001109 -0.000000584 -0.000001501 -0.000000443 0.000001047 -0.000001259 0.000002425 0.000001181 0.000001528 -0.000001467 -0.000000528 -0.000001877 -0.000002504 -0.000000253 0.000000702 -0.000001028 0.000000173 -0.000004257 0.000001688 -0.000002082 -0.000000111 0.000000139 -0.000001075 0.000000204 -0.000001564 0.000000252 -0.000000611 0.000000650 -0.000001328 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-BELVIS19 PAULAPLA Optimization triticonazole_Z CONF19 gas EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization triticonazole_Z CONF19 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF19/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7592 1.4154 0.9725 1.3574 1.4624 1.348 1.325 1.3226 1.3574 1.5743 1.5442 1.5424 1.5321 1.5307 1.5572 1.5477 1.0922 1.095 1.5139 1.3394 1.0945 1.0947 1.0918 1.0902 1.0905 1.0924 1.0937 1.0939 1.091 1.0927 1.4663 1.0868 1.4073 1.4065 1.0793 1.3894 1.0847 1.3912 1.0799 1.079 1.3916 1.0825 1.3911 1.0826 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 108.4058 121.2709 109.0422 129.6852 102.9836 102.8292 101.8748 107.97 115.9033 109.9398 112.3974 108.5054 113.6506 110.7802 108.9622 102.0011 115.602 105.2835 105.7565 111.6215 110.0066 112.4816 110.4693 106.5546 108.6676 121.3539 129.812 105.3356 111.7445 111.2703 109.8859 112.3589 106.344 115.2988 108.2514 106.7868 106.6883 111.2086 108.4136 110.6248 112.1496 109.5778 107.2688 108.7912 108.3305 109.6236 112.6377 111.3409 107.1815 107.6085 108.2398 129.8508 115.3091 114.7303 117.9744 124.7488 117.2759 110.5951 122.9076 126.4964 121.9443 119.1088 118.9454 121.45 120.3909 118.1462 114.5481 121.7918 123.6599 119.0595 120.8113 120.1291 119.4997 120.5507 119.9487 119.6291 119.6081 120.7617 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 20 88.1172 -157.7423 -42.3701 -179.9751 -0.4103 -47.9083 71.454 -172.0014 132.6264 -108.0113 8.5333 0.2883 179.9807 179.8049 -0.5028 0.4148 -179.7295 -0.0323 -179.711 -0.2499 179.8975 158.9273 39.6481 -73.9728 43.1699 -76.1093 170.2697 -78.7311 161.9897 48.3688 -36.0558 -158.6866 83.2471 78.253 -44.3778 -162.4441 -160.7702 76.599 -41.4673 -66.9618 52.7518 173.0941 -177.3138 -57.6001 62.7422 59.3981 179.1117 -60.546 173.9442 -66.8148 54.9898 -69.4685 49.7726 171.5771 52.3282 171.5692 -66.6262 -150.9448 24.8001 -29.6579 146.087 91.4103 -92.8448 61.1967 -59.0248 -177.0626 -68.2228 171.5557 53.5179 -179.9358 59.8427 -58.1951 18.2554 -101.0265 140.2637 140.3362 21.0544 -97.6554 -100.7416 139.9765 21.2667 7.6069 128.1177 -113.6947 -167.6616 -47.1508 71.0368 -176.9239 -0.9818 -2.1744 173.7677 162.9834 -17.3735 -12.9779 166.6653 -179.2631 0.2773 1.0668 -179.3928 179.5155 -1.8144 -0.8391 177.831 -0.5093 179.5857 179.9496 0.0447 0.0657 179.7165 -178.6333 1.0174 -179.9144 -0.3131 -0.0087 179.5925 -179.868 0.5307 0.4791 -179.1222 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00113 0.00261 0.00324 0.00418 0.00498 0.00593 0.00759 0.00833 0.01199 0.01474 0.01724 0.01784 0.02020 0.02163 0.02242 0.02302 0.02346 0.02370 0.02599 0.02610 0.02774 0.02929 0.03211 0.03373 0.03668 0.04067 0.04135 0.04293 0.04454 0.04497 0.04540 0.04588 0.04696 0.04750 0.05186 0.05739 0.05833 0.06207 0.06674 0.07010 0.07224 0.07372 0.07905 0.08374 0.08799 0.09656 0.09842 0.10883 0.11332 0.11573 0.11621 0.11901 0.11923 0.12398 0.12577 0.13123 0.13254 0.14317 0.14877 0.15393 0.15708 0.15897 0.16026 0.17175 0.17640 0.18204 0.18504 0.19540 0.19677 0.20223 0.20241 0.22549 0.22663 0.23550 0.23983 0.24514 0.25407 0.25978 0.26476 0.26938 0.27525 0.27901 0.29436 0.30375 0.31684 0.32139 0.32266 0.32571 0.33046 0.33226 0.33286 0.33574 0.33627 0.33664 0.33719 0.34344 0.34479 0.34659 0.34898 0.35213 0.35609 0.35943 0.36127 0.36479 0.36921 0.37196 0.38503 0.39534 0.40871 0.41304 0.43864 0.45028 0.46075 0.46396 0.47921 0.50310 0.50486 0.53608 0.60190 0.61687 Angle between quadratic step and forces= 71.39 degrees. 1 2 0.00017044 0.00000002 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 3.32435 2.67476 1.83782 2.56514 2.76359 2.54743 2.50387 2.49943 2.56502 2.97500 2.91809 2.91462 2.89526 2.89265 2.94277 2.92471 2.06393 2.06916 2.86091 2.53105 2.06827 2.06870 2.06328 2.06010 2.06072 2.06442 2.06688 2.06711 2.06171 2.06490 2.77090 2.05382 2.65949 2.65784 2.03958 2.62551 2.04971 2.62893 2.04070 2.03900 2.62983 2.04566 2.62882 2.04591 1.89204 2.11658 1.90314 2.26343 1.79740 1.79471 1.77805 1.88443 2.02289 1.91881 1.96170 1.89378 1.98358 1.93348 1.90175 1.78025 2.01764 1.83754 1.84580 1.94816 1.91998 1.96317 1.92805 1.85973 1.89661 2.11802 2.26565 1.83845 1.95031 1.94203 1.91787 1.96103 1.85605 2.01234 1.88934 1.86378 1.86206 1.94096 1.89218 1.93077 1.95738 1.91249 1.87219 1.89877 1.89072 1.91329 1.96590 1.94327 1.87067 1.87812 1.88914 2.26632 2.01252 2.00242 2.05904 2.17728 2.04685 1.93025 2.14514 2.20778 2.12833 2.07884 2.07599 2.11970 2.10122 2.06204 1.99924 2.12567 2.15827 2.07798 2.10855 2.09665 2.08566 2.10401 2.09350 2.08792 2.08755 2.10769 1.53794 -2.75312 -0.73950 -3.14116 -0.00716 -0.83616 1.24711 -3.00199 2.31477 -1.88515 0.14893 0.00503 3.14126 3.13819 -0.00878 0.00724 -3.13687 -0.00056 -3.13655 -0.00436 3.13980 2.77381 0.69199 -1.29107 0.75346 -1.32836 2.97177 -1.37412 2.82725 0.84419 -0.62929 -2.76960 1.45294 1.36577 -0.77454 -2.83519 -2.80597 1.33690 -0.72374 -1.16870 0.92069 3.02106 -3.09471 -1.00531 1.09506 1.03669 3.12609 -1.05673 3.03590 -1.16614 0.95975 -1.21245 0.86870 2.99459 0.91330 2.99445 -1.16285 -2.63448 0.43284 -0.51763 2.54970 1.59541 -1.62045 1.06808 -1.03018 -3.09033 -1.19071 2.99421 0.93406 -3.14047 1.04445 -1.01570 0.31862 -1.76324 2.44806 2.44933 0.36747 -1.70441 -1.75827 2.44305 0.37117 0.13276 2.23608 -1.98435 -2.92625 -0.82294 1.23983 -3.08790 -0.01714 -0.03795 3.03282 2.84460 -0.30322 -0.22651 2.90886 -3.12873 0.00484 0.01862 -3.13100 3.13314 -0.03167 -0.01465 3.10374 -0.00889 3.13436 3.14071 0.00078 0.00115 3.13664 -3.11774 0.01776 -3.14010 -0.00546 -0.00015 3.13448 -3.13929 0.00926 0.00836 -3.12627 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -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 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00004 0.00002 0.00000 0.00001 0.00002 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 -0.00000 0.00003 0.00000 -0.00001 -0.00001 0.00002 0.00001 -0.00003 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00002 0.00001 -0.00001 -0.00000 0.00003 -0.00002 -0.00001 0.00000 0.00002 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00003 -0.00004 0.00001 0.00001 0.00001 -0.00002 -0.00002 0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00001 -0.00001 -0.00003 0.00003 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00003 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00002 0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00002 -0.00028 -0.00026 -0.00026 -0.00022 -0.00007 0.00009 0.00008 0.00005 -0.00009 -0.00011 -0.00014 0.00011 0.00005 0.00028 0.00023 0.00000 0.00003 -0.00010 -0.00004 0.00006 0.00004 0.00005 0.00004 0.00002 0.00006 0.00004 0.00003 0.00005 0.00003 0.00002 -0.00007 -0.00008 -0.00007 -0.00008 -0.00009 -0.00008 -0.00010 -0.00011 -0.00009 -0.00014 -0.00015 -0.00013 -0.00013 -0.00013 -0.00012 -0.00011 -0.00011 -0.00009 0.00005 0.00004 0.00005 0.00005 0.00004 0.00005 0.00003 0.00003 0.00004 -0.00002 0.00001 0.00000 0.00003 0.00001 0.00004 0.00008 0.00008 0.00012 0.00008 0.00008 0.00012 0.00008 0.00007 0.00012 0.00007 0.00008 0.00008 0.00007 0.00009 0.00008 0.00008 0.00009 0.00008 -0.00005 -0.00006 -0.00007 -0.00008 -0.00010 -0.00010 -0.00001 0.00002 0.00003 0.00006 0.00007 0.00009 0.00004 0.00007 0.00000 0.00001 -0.00002 -0.00001 -0.00001 0.00002 0.00002 0.00004 0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00003 -0.00002 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00002 -0.00003 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00004 0.00002 0.00000 0.00001 0.00002 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 -0.00000 0.00003 0.00000 -0.00001 -0.00001 0.00002 0.00001 -0.00003 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00002 0.00001 -0.00001 -0.00000 0.00003 -0.00002 -0.00001 0.00000 0.00002 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00003 -0.00004 0.00001 0.00001 0.00001 -0.00002 -0.00002 0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00001 -0.00001 -0.00003 0.00003 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00003 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00002 0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00002 -0.00028 -0.00026 -0.00026 -0.00022 -0.00007 0.00009 0.00008 0.00005 -0.00009 -0.00011 -0.00014 0.00011 0.00005 0.00028 0.00023 0.00000 0.00003 -0.00010 -0.00004 0.00006 0.00004 0.00005 0.00004 0.00002 0.00006 0.00004 0.00003 0.00005 0.00003 0.00002 -0.00007 -0.00008 -0.00007 -0.00008 -0.00009 -0.00008 -0.00010 -0.00011 -0.00009 -0.00014 -0.00015 -0.00013 -0.00013 -0.00013 -0.00012 -0.00011 -0.00011 -0.00009 0.00005 0.00004 0.00005 0.00005 0.00004 0.00005 0.00003 0.00003 0.00004 -0.00002 0.00001 0.00000 0.00003 0.00001 0.00004 0.00008 0.00008 0.00012 0.00008 0.00008 0.00012 0.00008 0.00007 0.00012 0.00007 0.00008 0.00008 0.00007 0.00009 0.00008 0.00008 0.00009 0.00008 -0.00005 -0.00006 -0.00007 -0.00008 -0.00010 -0.00010 -0.00001 0.00002 0.00003 0.00006 0.00007 0.00009 0.00004 0.00007 0.00000 0.00001 -0.00002 -0.00001 -0.00001 0.00002 0.00002 0.00004 0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00003 -0.00002 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00002 3.32432 2.67477 1.83781 2.56515 2.76358 2.54744 2.50387 2.49944 2.56504 2.97496 2.91811 2.91463 2.89526 2.89267 2.94277 2.92470 2.06393 2.06917 2.86092 2.53105 2.06827 2.06870 2.06328 2.06011 2.06072 2.06442 2.06689 2.06711 2.06172 2.06490 2.77091 2.05382 2.65949 2.65784 2.03958 2.62552 2.04971 2.62894 2.04071 2.03900 2.62984 2.04566 2.62883 2.04591 1.89203 2.11658 1.90315 2.26343 1.79739 1.79469 1.77804 1.88443 2.02293 1.91881 1.96169 1.89377 1.98360 1.93349 1.90172 1.78025 2.01764 1.83756 1.84579 1.94816 1.91997 1.96319 1.92806 1.85972 1.89661 2.11805 2.26563 1.83844 1.95031 1.94205 1.91786 1.96104 1.85605 2.01234 1.88935 1.86379 1.86205 1.94098 1.89213 1.93078 1.95739 1.91251 1.87218 1.89874 1.89073 1.91329 1.96591 1.94328 1.87066 1.87811 1.88913 2.26630 2.01255 2.00242 2.05905 2.17727 2.04685 1.93026 2.14516 2.20775 2.12833 2.07885 2.07598 2.11970 2.10122 2.06204 1.99927 2.12566 2.15825 2.07800 2.10854 2.09665 2.08568 2.10399 2.09350 2.08793 2.08757 2.10766 1.53766 -2.75339 -0.73976 -3.14138 -0.00723 -0.83606 1.24719 -3.00194 2.31467 -1.88526 0.14879 0.00514 3.14131 3.13846 -0.00855 0.00724 -3.13685 -0.00066 -3.13659 -0.00430 3.13984 2.77386 0.69203 -1.29105 0.75351 -1.32832 2.97179 -1.37407 2.82728 0.84421 -0.62936 -2.76969 1.45287 1.36570 -0.77463 -2.83526 -2.80607 1.33680 -0.72384 -1.16885 0.92055 3.02093 -3.09484 -1.00544 1.09494 1.03658 3.12598 -1.05682 3.03595 -1.16610 0.95981 -1.21241 0.86874 2.99464 0.91333 2.99447 -1.16281 -2.63451 0.43285 -0.51763 2.54973 1.59542 -1.62041 1.06816 -1.03010 -3.09021 -1.19063 2.99429 0.93418 -3.14039 1.04453 -1.01558 0.31868 -1.76316 2.44814 2.44940 0.36755 -1.70433 -1.75820 2.44314 0.37126 0.13272 2.23602 -1.98442 -2.92633 -0.82303 1.23972 -3.08791 -0.01712 -0.03792 3.03287 2.84466 -0.30313 -0.22646 2.90893 -3.12873 0.00485 0.01860 -3.13101 3.13313 -0.03165 -0.01463 3.10378 -0.00888 3.13437 3.14071 0.00078 0.00114 3.13665 -3.11777 0.01774 -3.14011 -0.00546 -0.00016 3.13448 -3.13928 0.00925 0.00836 -3.12629 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000003 0.000970 0.000170 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.516669e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7592 1.4154 0.9725 1.3574 1.4624 1.348 1.325 1.3226 1.3574 1.5743 1.5442 1.5424 1.5321 1.5307 1.5572 1.5477 1.0922 1.095 1.5139 1.3394 1.0945 1.0947 1.0918 1.0902 1.0905 1.0924 1.0937 1.0939 1.091 1.0927 1.4663 1.0868 1.4073 1.4065 1.0793 1.3894 1.0847 1.3912 1.0799 1.079 1.3916 1.0825 1.3911 1.0826 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 108.4058 121.2709 109.0422 129.6852 102.9836 102.8292 101.8748 107.97 115.9033 109.9398 112.3974 108.5054 113.6506 110.7802 108.9622 102.0011 115.602 105.2835 105.7565 111.6215 110.0066 112.4816 110.4693 106.5546 108.6676 121.3539 129.812 105.3356 111.7445 111.2703 109.8859 112.3589 106.344 115.2988 108.2514 106.7868 106.6883 111.2086 108.4136 110.6248 112.1496 109.5778 107.2688 108.7912 108.3305 109.6236 112.6377 111.3409 107.1815 107.6085 108.2398 129.8508 115.3091 114.7303 117.9744 124.7488 117.2759 110.5951 122.9076 126.4964 121.9443 119.1088 118.9454 121.45 120.3909 118.1462 114.5481 121.7918 123.6599 119.0595 120.8113 120.1291 119.4997 120.5507 119.9487 119.6291 119.6081 120.7617 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 88.1172 -157.7423 -42.3701 -179.9751 -0.4103 -47.9083 71.454 -172.0014 132.6264 -108.0113 8.5333 0.2883 179.9807 179.8049 -0.5028 0.4148 -179.7295 -0.0323 -179.711 -0.2499 179.8975 158.9273 39.6481 -73.9728 43.1699 -76.1093 170.2697 -78.7311 161.9897 48.3688 -36.0558 -158.6866 83.2471 78.253 -44.3778 -162.4441 -160.7702 76.599 -41.4673 -66.9618 52.7518 173.0941 -177.3138 -57.6001 62.7422 59.3981 179.1117 -60.546 173.9442 -66.8148 54.9898 -69.4685 49.7726 171.5771 52.3282 171.5692 -66.6262 -150.9448 24.8001 -29.6579 146.087 91.4103 -92.8448 61.1967 -59.0248 -177.0626 -68.2228 171.5557 53.5179 -179.9358 59.8427 -58.1951 18.2554 -101.0265 140.2637 140.3362 21.0544 -97.6554 -100.7416 139.9765 21.2667 7.6069 128.1177 -113.6947 -167.6616 -47.1508 71.0368 -176.9239 -0.9818 -2.1744 173.7677 162.9834 -17.3735 -12.9779 166.6653 -179.2631 0.2773 1.0668 -179.3928 179.5155 -1.8144 -0.8391 177.831 -0.5093 179.5857 179.9496 0.0447 0.0657 179.7165 -178.6333 1.0174 -179.9144 -0.3131 -0.0087 179.5925 -179.868 0.5307 0.4791 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.2009823105 42 42 42 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 -0.0501191883 0.000000 8.713098 0.000000 10.484939 2.969078 0.000000 11.026725 2.797642 1.357413 0.000000 12.661202 4.874173 2.195670 2.256631 0.000000 9.203020 2.503927 3.250348 3.730711 4.926976 0.000000 8.464098 1.415421 2.551497 3.026800 4.634219 1.574303 0.000000 8.691731 3.697557 4.001931 4.849171 5.685810 1.544186 2.421449 0.000000 7.004540 2.425676 3.810363 4.439756 5.968828 2.413235 1.530726 2.434478 0.000000 7.171549 3.669390 4.495290 5.350239 6.483911 2.465323 2.473579 1.547690 1.513927 0.000000 9.064090 2.420929 1.462430 2.458081 3.623979 2.649941 1.557248 3.108533 2.454551 3.210010 0.000000 9.051349 2.812919 4.540233 4.687893 6.153863 1.542351 2.521016 2.527412 2.991488 3.105458 3.949822 0.000000 10.720575 3.284218 3.027926 3.364450 4.053444 1.532104 2.633087 2.556319 3.824823 3.834482 3.131470 2.495239 0.000000 6.033416 2.786260 4.607448 5.053753 6.799673 3.623645 2.504116 3.744267 1.339375 2.585048 3.270317 3.888282 5.018622 0.000000 4.569195 4.210839 5.995329 6.496233 8.189311 4.861467 3.920846 4.680724 2.541825 3.248790 4.604404 4.957815 6.329771 1.466297 0.000000 11.552093 4.286153 1.348043 2.203138 1.322641 4.107565 3.737521 4.634967 4.918985 5.334461 2.544347 5.496969 3.506759 5.810076 7.142780 0.000000 4.018528 4.860932 6.928846 7.233678 9.096194 5.959790 4.927276 5.975558 3.735604 4.604070 5.632416 5.857523 7.401576 2.463044 1.407340 8.147287 0.000000 4.022918 5.269984 6.693794 7.399349 8.857968 5.351485 4.666868 4.754923 3.146087 3.209902 5.237957 5.531841 6.830965 2.545413 1.406470 7.698702 2.402700 0.000000 12.309937 4.082507 2.099129 1.324991 1.357351 4.670301 4.226738 5.729306 5.662017 6.424429 3.505085 5.665922 3.914893 6.348921 7.785913 2.095007 8.545880 8.634976 0.000000 2.729831 6.240748 8.257348 8.608781 10.429716 7.194408 6.248840 7.051467 4.957586 5.596980 6.923872 7.028166 8.673331 3.759042 2.445406 9.441603 1.389362 2.787993 9.916102 0.000000 2.729102 6.566398 8.058998 8.748997 10.220705 6.696263 6.043836 6.044730 4.525785 4.511217 6.603564 6.758649 8.189262 3.811709 2.440345 9.053892 2.778065 1.391170 9.993235 2.419131 0.000000 1.759168 6.969340 8.746422 9.277568 10.929684 7.500497 6.711053 7.069023 5.265301 5.546557 7.331003 7.411025 9.009973 4.274489 2.810032 9.837037 2.396930 2.403428 10.563156 1.391645 1.391110 0.000000 9.028898 4.534981 4.966197 5.744224 6.479290 2.195510 3.387391 1.092183 3.318918 2.209288 4.180068 2.672554 2.962046 4.549274 5.324519 5.500811 6.597856 5.248893 6.547835 7.577146 6.429180 7.492196 0.000000 9.278498 4.213159 3.698442 4.753275 5.176598 2.177240 2.844154 1.094952 3.029154 2.186211 2.961651 3.461548 2.672790 4.340779 5.293653 4.049621 6.634545 5.283543 5.468390 7.707226 6.571747 7.668651 1.753074 0.000000 6.637009 4.245693 5.501387 6.249444 7.492347 3.073884 3.263612 2.201888 2.148741 1.094479 4.227496 3.208643 4.500548 2.864585 3.150941 6.382048 4.422927 2.924385 7.358184 5.256556 4.067413 5.097864 2.399524 3.023274 0.000000 7.014315 4.453750 4.789697 5.822196 6.721407 3.342189 3.188411 2.196128 2.179739 1.094708 3.465918 4.170793 4.543911 3.029692 3.435403 5.473031 4.842726 3.065480 6.833339 5.704852 4.287087 5.465475 2.813288 2.358148 1.752310 0.000000 8.586379 2.622380 2.081098 2.819755 4.141078 3.543285 2.143278 3.945326 2.625801 3.658888 1.091838 4.663867 4.169678 2.992946 4.231954 3.149587 5.110763 4.978525 3.915100 6.384621 6.276604 6.876375 5.034080 3.861989 4.614586 3.789902 0.000000 9.070193 3.370128 2.061077 3.315640 3.914642 2.873967 2.200400 2.788206 2.679181 2.935525 1.090159 4.321010 3.331122 3.647671 4.802020 2.642646 5.984700 5.146783 4.143656 7.178309 6.489882 7.384488 3.836532 2.326973 4.026723 2.905445 1.769891 0.000000 9.571141 2.564440 4.564492 4.389126 6.035172 2.180114 2.811849 3.482267 3.565460 4.018737 4.207971 1.090484 2.732060 4.265841 5.421178 5.579960 6.135651 6.201066 5.338022 7.361237 7.417719 7.919885 3.715666 4.311946 4.172425 5.076360 4.847949 4.797806 0.000000 8.044413 2.959009 5.097535 5.297005 6.920136 2.200638 2.717604 2.776971 2.632497 2.796170 4.243575 1.092444 3.468507 3.279767 4.138939 6.161901 4.975594 4.704230 6.402459 6.071750 5.851211 6.439554 2.924403 3.831722 2.614741 3.887718 4.768514 4.599578 1.757804 0.000000 9.644324 3.879473 5.288419 5.480838 6.698186 2.169257 3.478848 2.780362 3.873421 3.617170 4.791655 1.093748 2.727096 4.835063 5.783518 6.078725 6.720277 6.182880 6.317234 7.805797 7.346862 8.072372 2.488761 3.675494 3.566787 4.630657 5.601626 5.009174 1.775904 1.772366 0.000000 11.238632 4.186564 4.088074 4.382662 4.864804 2.160917 3.558450 2.873578 4.562301 4.307223 4.175960 2.658229 1.093865 5.782857 7.001429 4.411837 8.090922 7.395913 4.795938 9.308545 8.708351 9.572381 2.865219 3.049557 4.796110 5.040264 5.222464 4.253172 2.966160 3.689109 2.430144 0.000000 11.073571 3.820480 2.610286 3.248425 3.377105 2.196455 2.977413 2.765698 4.142802 4.059734 2.921249 3.468163 1.091012 5.377691 6.683156 2.722251 7.829181 7.092545 3.587725 9.094034 8.464161 9.363730 3.279055 2.428827 4.885893 4.534468 4.003616 2.883878 3.777332 4.346386 3.698775 1.758386 0.000000 11.169803 3.043359 2.928985 2.804752 3.727198 2.181699 2.870323 3.505705 4.269427 4.601852 3.353387 2.801228 1.092696 5.298562 6.690699 3.492275 7.619552 7.378020 3.286962 8.946470 8.741192 9.435709 3.962587 3.678507 5.253501 5.365658 4.279480 3.836514 2.592532 3.799046 3.167674 1.764565 1.769340 0.000000 9.598465 0.972530 2.481686 1.953735 4.135322 2.895713 1.954099 4.204502 3.236817 4.402724 2.445128 3.367836 3.221510 3.649482 5.088971 3.753905 5.702541 6.146677 3.205625 7.090888 7.455051 7.853888 5.055978 4.547499 5.080148 5.118440 2.686456 3.485636 2.953498 3.740305 4.351017 4.186622 3.646144 2.725594 0.000000 6.522857 2.358192 4.453766 4.638841 6.583866 3.953366 2.620732 4.429963 2.054201 3.504383 3.314855 4.150816 5.196138 1.086833 2.159770 5.743441 2.605814 3.455831 5.957135 3.991987 4.594184 4.797228 5.284838 4.995866 3.846951 4.003845 2.858962 3.965006 4.253226 3.645994 5.194884 6.044071 5.591622 5.252961 3.131087 0.000000 11.561694 4.968550 2.136121 3.231770 2.147644 4.411436 4.157906 4.579687 5.115805 5.278600 2.876662 5.905897 3.884540 6.077263 7.303349 1.079300 8.410517 7.672151 3.152074 9.638016 8.995393 9.889349 5.402407 3.785860 6.350111 5.226610 3.489504 2.540350 6.165371 6.527904 6.402061 4.683625 2.927159 4.136378 4.586225 6.176287 0.000000 4.866488 4.505185 6.760442 6.868719 8.865731 6.015867 4.876542 6.300056 3.958462 5.079863 5.601120 5.846234 7.370693 2.645698 2.154591 8.038477 1.084659 3.388807 8.178334 2.136703 3.862689 3.376293 6.979161 6.975528 5.001118 5.450167 5.020406 6.135908 5.930380 5.034091 6.785528 8.109727 7.848625 7.431812 5.272893 2.331019 8.431654 0.000000 4.854807 5.289291 6.342880 7.198408 8.442666 4.920943 4.422525 4.067611 2.930432 2.551417 4.888963 5.284344 6.340920 2.802104 2.163579 7.223242 3.392532 1.079892 8.364630 3.867317 2.125764 3.370903 4.522313 4.486160 2.348102 2.167287 4.791008 4.598340 6.084894 4.579824 5.837416 6.854272 6.505357 7.013260 6.124459 3.843349 7.077865 4.297524 0.000000 13.083163 4.672438 3.138436 2.103855 2.151776 5.451296 5.051220 6.632115 6.515611 7.346914 4.488810 6.262687 4.620264 7.124069 8.567312 3.137588 9.224248 9.501053 1.078992 10.604192 10.847406 11.338989 7.399751 6.442759 8.231483 7.823280 4.827962 5.194692 5.774002 7.025770 6.887618 5.403074 4.420677 3.814841 3.723305 6.625474 4.165515 8.757989 9.293043 0.000000 2.866695 6.895072 9.028699 9.268250 11.172516 8.061439 7.070892 8.030140 5.874020 6.611112 7.755159 7.806922 9.517466 4.617621 3.426202 10.247068 2.154739 3.870493 10.575427 1.082514 3.398225 2.149619 8.558044 8.709566 6.265227 6.763100 7.155632 8.092087 8.035236 6.843523 8.602512 10.164759 9.977031 9.708611 7.707105 4.660147 10.504913 2.468864 4.949716 11.196271 0.000000 2.862507 7.414438 8.706439 9.499660 10.825837 7.264910 6.750285 6.415888 5.222363 4.928263 7.244248 7.378127 8.728105 4.695320 3.421051 9.607817 3.860648 2.153750 10.704779 3.397180 1.082649 2.147338 6.693607 6.867272 4.432049 4.544266 6.984369 6.986862 8.131679 6.499427 7.859167 9.178065 8.943905 9.374972 8.296234 5.558502 9.441440 4.945240 2.451029 11.603487 4.287663 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6927814 0.1002895 0.0959571 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= 612 RedAO= T EigKep= 1.02D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 6.25D-07 NBFU= 609 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= 619 619 619 619 619 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82061502462 -1359.82061502454 0.000000000089 -1359.82061502 2 1.354832463562e+03 -6.953402672396e+03 2.354598730687e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 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= 42. Will process 43 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 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. 13021 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3774873600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 800000000 NMat= 126 IRICut= 315 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= 126 NMatS0= 126 NMatT0= 0 NMatD0= 126 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 78.22% of shell-pairs survive, threshold= 0.20 IRatSp=78. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 4.41D-14 1.00D-09 XBig12= 3.77D+02 1.35D+01. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 4.41D-14 1.00D-09 XBig12= 7.10D+01 1.47D+00. 126 vectors produced by pass 2 Test12= 4.41D-14 1.00D-09 XBig12= 6.72D-01 7.18D-02. 126 vectors produced by pass 3 Test12= 4.41D-14 1.00D-09 XBig12= 4.37D-03 4.50D-03. 126 vectors produced by pass 4 Test12= 4.41D-14 1.00D-09 XBig12= 1.10D-05 2.32D-04. 114 vectors produced by pass 5 Test12= 4.41D-14 1.00D-09 XBig12= 1.74D-08 1.08D-05. 39 vectors produced by pass 6 Test12= 4.41D-14 1.00D-09 XBig12= 2.20D-11 3.20D-07. 3 vectors produced by pass 7 Test12= 4.41D-14 1.00D-09 XBig12= 2.77D-14 1.69D-08. InvSVY: IOpt=1 It= 1 EMax= 2.84D-14 Solved reduced A of dimension 786 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 247.57 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 366.850 -9.899 186.815 1.007 -19.945 189.035 467.031 -15.343 287.594 5.608 -51.694 323.990 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT104456.700S Sun Aug 15 05:35:59 2021 -3.60498206e-01 4.97219285e-01 -7.40463001e-01 3.66850439e+02 -9.89894618e+00 1.86814862e+02 1.00699024e+00 -1.99447044e+01 1.89034621e+02 -2.9365 -0.0015 -0.0012 -0.0012 2.5844 4.9120 17.9077 33.2706 52.4400 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.8731 33.2685 52.4396 68.5568 80.4913 88.4890 104.3545 146.3873 168.5508 191.9686 227.0460 230.3200 239.4062 249.2313 263.4056 296.5841 326.4456 340.4504 344.5023 370.8499 380.6036 384.4181 419.3991 419.8705 430.3044 487.7061 526.9011 533.6212 551.2448 601.8276 618.5507 641.0404 650.9971 668.8052 684.9264 693.5150 713.7988 731.6815 768.6254 803.5569 826.1400 831.0226 838.8565 858.1574 884.6205 901.1442 909.5552 931.7305 939.9524 953.4503 964.8890 970.6384 976.1453 978.9932 990.6573 1014.5644 1027.6278 1036.8633 1038.6357 1085.2932 1092.7077 1104.5768 1135.0421 1144.5075 1161.5012 1166.9841 1190.3377 1217.7441 1223.0328 1237.6188 1239.0865 1244.8067 1258.5085 1278.1978 1308.9309 1310.2393 1317.4117 1333.1633 1334.7514 1346.5068 1365.5474 1389.3408 1398.6280 1408.2918 1427.3718 1432.2899 1442.0891 1467.9022 1477.4753 1482.2011 1487.6930 1496.9896 1512.8662 1517.3758 1522.1715 1522.8067 1536.7298 1597.0742 1630.7688 1709.5523 3017.1959 3026.3494 3028.1369 3033.8071 3048.2998 3063.7324 3077.8430 3086.8282 3094.9099 3109.7226 3116.6963 3121.7819 3142.2340 3167.8869 3192.0202 3198.2513 3225.5677 3244.7621 3251.4444 3629.2885 4.8807 6.2741 4.6318 6.3932 4.5454 3.9870 5.2503 6.4194 3.3247 2.9222 4.3376 3.2165 1.6897 3.0365 2.0504 2.2129 3.3674 3.4838 2.2707 3.2567 2.9053 2.3908 2.9366 2.8753 5.5090 3.0892 3.0930 2.4316 2.6287 2.1206 1.7617 6.1826 3.8253 5.0782 3.2927 3.7674 4.6898 4.1453 4.0369 1.8298 3.1042 1.2691 1.8805 1.4279 2.1883 1.4040 2.0760 1.5302 1.8033 2.9396 1.3679 1.4472 5.9758 1.3667 1.8735 1.9587 3.7498 4.0571 1.9942 3.0348 2.7753 3.0555 1.4683 1.6506 2.2624 1.8400 1.9013 1.1602 1.5623 2.2972 2.5687 1.8398 3.2529 1.8777 2.7552 2.0712 2.9940 1.4178 1.5873 1.9034 2.0768 1.7237 1.7046 1.2345 1.4750 1.2895 1.9514 2.3167 1.2433 1.1141 1.0685 1.0513 1.0573 1.0930 1.0757 2.1774 3.5821 6.3871 5.4906 8.2035 1.0633 1.0638 1.0377 1.0421 1.0971 1.0613 1.0991 1.0996 1.1006 1.1009 1.1003 1.1038 1.0869 1.0892 1.0906 1.0940 1.0913 1.0972 1.1001 1.0675 0.0009 0.0041 0.0075 0.0177 0.0174 0.0184 0.0337 0.0810 0.0556 0.0634 0.1317 0.1005 0.0571 0.1111 0.0838 0.1147 0.2114 0.2379 0.1588 0.2639 0.2480 0.2082 0.3043 0.2987 0.6010 0.4329 0.5059 0.4079 0.4706 0.4525 0.3971 1.4969 0.9552 1.3383 0.9101 1.0676 1.4079 1.3075 1.4052 0.6961 1.2482 0.5164 0.7796 0.6195 1.0089 0.6718 1.0119 0.7827 0.9387 1.5745 0.7503 0.8033 3.3548 0.7718 1.0833 1.1879 2.3331 2.5698 1.2675 2.1061 1.9524 2.1965 1.1145 1.2739 1.7983 1.4764 1.5872 1.0137 1.3768 2.0731 2.3236 1.6797 3.0355 1.8075 2.7813 2.0950 3.0616 1.4847 1.6661 2.0332 2.2817 1.9604 1.9647 1.4426 1.7706 1.5586 2.3910 2.9411 1.5991 1.4421 1.3933 1.3881 1.4258 1.4828 1.4685 2.9749 4.9840 9.5986 8.6032 14.1258 5.7032 5.7402 5.6060 5.6509 6.0064 5.8696 6.1342 6.1730 6.2113 6.2725 6.2970 6.3381 6.3230 6.4401 6.5469 6.5934 6.6896 6.8063 6.8523 8.2845 0.0425 0.2455 0.7858 0.0237 0.2066 0.1947 0.1721 1.9137 1.0290 0.4466 0.6743 2.0928 1.4591 0.3271 0.8345 3.4485 3.8796 0.0862 0.7102 1.5776 2.4511 2.3219 1.1490 0.2344 16.2814 2.9949 4.1231 19.3817 1.8530 33.0696 49.7090 0.8463 0.3214 1.9020 30.6726 13.4213 8.3852 7.7859 5.8345 2.0521 13.6121 0.4237 29.3125 13.7369 2.2675 5.9898 3.8892 19.5156 3.1190 13.2491 1.6798 2.3366 14.2203 0.9422 0.5911 1.0942 29.6559 27.9455 11.2587 12.2095 14.3577 65.7945 2.9330 19.7664 8.0594 35.6407 10.5004 0.0628 27.6984 1.5874 0.8271 4.6071 10.4256 3.2817 28.2102 29.7270 1.3576 1.0902 1.8041 2.6114 11.3684 27.1650 0.2553 8.9719 30.2883 23.6690 10.6985 50.0651 6.8637 7.1785 1.9065 14.8036 6.0182 4.9159 21.5063 94.9406 75.1912 0.3948 7.2975 0.6972 18.4314 29.3642 19.0042 40.0884 16.6369 12.5778 29.3467 24.7568 40.9283 20.8419 21.4853 8.0258 0.9600 6.2768 2.5676 3.9433 3.3658 1.7392 1.5140 416.4498 0.00 0.13 0.03 0.00 -0.09 -0.03 -0.05 0.03 -0.02 -0.05 0.02 -0.02 -0.07 0.14 0.00 0.06 -0.05 0.03 0.01 -0.07 -0.02 0.04 -0.05 0.02 0.00 -0.10 -0.03 0.01 -0.11 -0.05 -0.04 -0.02 -0.03 0.12 -0.09 0.03 0.06 0.00 0.08 0.00 -0.09 -0.01 0.00 -0.06 -0.01 -0.06 0.10 -0.00 0.03 0.10 0.10 -0.03 -0.18 -0.12 -0.07 0.09 -0.01 0.03 0.16 0.11 -0.03 -0.12 -0.10 0.00 0.05 0.01 0.09 -0.05 0.05 -0.00 0.01 0.03 0.07 -0.14 -0.10 -0.06 -0.13 -0.06 -0.08 -0.04 -0.06 -0.04 -0.00 -0.02 0.13 -0.10 0.03 0.12 -0.12 -0.01 0.14 -0.09 0.06 0.10 0.01 0.11 0.02 0.03 0.09 0.07 0.00 0.08 -0.01 -0.06 -0.03 0.01 -0.07 0.01 -0.06 0.12 0.00 0.05 0.19 0.18 -0.05 -0.32 -0.21 -0.07 0.10 -0.01 0.06 0.29 0.20 -0.05 -0.22 -0.19 0.03 0.10 0.17 0.05 -0.02 -0.07 -0.06 0.00 0.04 0.00 0.01 0.06 -0.09 0.06 0.17 0.03 -0.02 -0.05 0.01 -0.03 -0.07 0.01 -0.02 -0.06 -0.00 -0.04 -0.12 0.01 -0.02 -0.07 -0.06 -0.02 -0.04 0.07 -0.03 -0.06 0.03 0.01 -0.01 -0.01 -0.07 -0.16 -0.00 -0.06 -0.12 -0.11 0.04 0.10 -0.04 -0.18 -0.18 0.05 0.08 0.01 -0.02 0.04 0.14 -0.03 -0.14 -0.10 0.05 0.13 0.10 0.02 0.02 0.04 0.00 -0.02 -0.08 -0.00 -0.04 -0.05 -0.01 -0.03 -0.04 0.03 0.02 -0.08 -0.07 -0.02 -0.08 -0.11 -0.02 -0.05 0.08 -0.02 -0.05 0.07 -0.06 -0.08 0.10 -0.03 -0.05 0.06 0.01 0.01 0.00 0.03 -0.00 0.04 0.01 -0.00 0.04 -0.01 -0.03 -0.01 -0.10 -0.19 -0.17 0.04 0.09 -0.07 -0.29 -0.29 0.08 0.17 0.06 0.02 0.05 0.18 -0.06 -0.23 -0.15 0.09 0.25 0.21 0.01 0.06 -0.06 -0.01 -0.02 0.08 0.01 -0.03 0.01 -0.12 0.15 0.03 0.01 0.12 -0.11 -0.01 -0.07 -0.01 0.00 -0.06 0.06 -0.04 -0.12 -0.05 0.00 -0.06 0.06 -0.02 -0.09 0.00 0.04 -0.12 0.09 -0.00 0.00 -0.04 -0.02 -0.06 0.01 0.02 -0.03 0.08 0.02 -0.01 0.05 0.09 -0.05 -0.07 0.05 -0.07 -0.03 -0.00 0.07 0.09 -0.11 0.24 -0.05 0.04 -0.06 -0.07 -0.01 0.09 0.06 0.02 0.03 -0.02 -0.06 -0.12 -0.12 -0.03 -0.20 -0.03 -0.05 -0.05 -0.02 0.00 -0.13 0.02 0.00 -0.15 0.21 0.13 -0.21 0.05 0.01 0.05 -0.02 0.00 0.01 -0.05 -0.00 0.00 -0.09 -0.00 -0.05 -0.05 -0.04 -0.12 0.04 -0.00 -0.01 0.06 -0.04 0.06 0.11 0.05 -0.01 0.10 0.20 -0.18 -0.10 0.07 -0.13 -0.06 -0.02 0.12 0.14 -0.20 0.39 -0.06 0.06 -0.11 -0.13 -0.03 0.16 0.09 0.02 -0.12 -0.05 0.00 -0.05 -0.04 0.01 -0.06 -0.03 0.07 -0.22 -0.07 -0.06 0.27 0.11 -0.04 -0.07 -0.04 -0.00 -0.05 -0.04 -0.10 -0.08 -0.08 -0.01 -0.00 -0.03 -0.07 -0.04 -0.09 0.01 -0.07 -0.04 -0.00 -0.03 -0.08 -0.05 -0.10 0.03 0.03 0.09 0.05 0.03 0.13 0.08 -0.06 0.24 0.08 0.02 0.11 0.08 0.04 0.14 0.10 0.02 -0.01 0.02 0.02 0.06 0.05 0.04 0.09 0.08 0.03 0.03 0.04 -0.12 -0.08 -0.12 -0.11 -0.12 -0.06 -0.09 0.01 -0.15 -0.09 -0.08 -0.09 0.01 -0.08 -0.02 0.02 -0.09 -0.04 0.04 -0.03 -0.05 0.00 -0.01 -0.11 -0.02 -0.04 -0.08 -0.06 -0.12 0.12 -0.08 -0.03 0.02 -0.00 -0.17 0.00 0.04 -0.14 -0.06 0.05 0.11 0.09 -0.12 0.42 0.13 0.02 0.11 0.08 0.05 0.17 0.12 0.05 -0.08 0.01 0.01 0.02 0.03 0.05 0.09 0.08 0.02 -0.11 0.03 0.05 -0.06 -0.05 -0.05 0.03 -0.01 -0.06 0.14 0.02 -0.01 -0.16 -0.05 0.02 -0.01 0.05 -0.00 -0.01 -0.03 -0.09 -0.00 -0.01 -0.02 0.02 -0.08 -0.09 -0.01 -0.13 -0.05 0.03 -0.03 0.16 -0.03 0.01 0.02 -0.00 0.22 0.01 0.08 -0.05 0.01 0.10 -0.01 -0.02 -0.14 -0.06 -0.02 0.10 0.01 0.05 0.10 0.00 -0.04 0.02 -0.00 -0.02 0.05 0.04 0.05 0.05 0.03 0.02 0.02 0.03 -0.08 -0.00 -0.00 -0.17 0.01 0.04 -0.06 0.01 -0.22 -0.18 -0.04 -0.15 -0.05 0.03 -0.07 -0.07 0.05 -0.02 0.28 -0.07 0.05 0.18 -0.01 -0.12 0.14 -0.04 0.07 0.04 0.00 0.20 -0.10 -0.06 0.29 0.12 0.03 0.31 0.02 0.01 -0.01 0.03 0.09 -0.02 0.00 -0.26 -0.09 -0.05 0.11 0.01 0.07 0.11 -0.00 -0.04 0.07 0.01 -0.05 0.04 0.05 0.08 0.04 0.03 -0.03 0.06 0.00 -0.05 0.09 0.08 -0.00 0.04 0.01 -0.00 -0.13 -0.05 0.03 -0.04 -0.08 0.05 0.06 0.01 -0.01 0.04 0.06 -0.01 -0.05 -0.07 -0.01 -0.02 0.03 -0.03 -0.09 -0.09 0.00 0.03 0.06 0.18 0.12 -0.07 0.05 0.07 0.14 -0.02 -0.00 0.07 -0.02 -0.04 0.02 0.02 0.09 -0.01 -0.01 -0.08 -0.02 -0.04 -0.02 0.03 0.01 -0.17 -0.11 -0.01 -0.07 -0.04 -0.04 0.00 0.02 -0.03 -0.02 -0.01 0.03 -0.04 -0.15 -0.07 -0.09 -0.03 0.00 -0.07 -0.19 -0.09 -0.20 -0.08 -0.01 0.02 0.10 0.04 0.01 0.06 0.26 0.18 -0.00 0.19 0.12 -0.17 0.19 0.13 -0.11 0.07 0.08 0.15 -0.04 0.05 0.19 0.12 0.09 0.20 -0.02 0.02 0.04 -0.02 0.05 0.13 0.03 0.22 0.04 0.00 -0.11 -0.04 -0.05 -0.00 0.05 0.01 -0.30 -0.17 0.00 -0.09 -0.07 -0.06 0.04 0.04 0.00 -0.01 0.13 0.07 0.04 0.07 0.10 -0.07 0.01 0.05 -0.04 -0.00 0.08 0.12 -0.03 -0.08 -0.01 0.04 0.02 0.02 0.05 -0.16 -0.01 -0.00 -0.01 0.09 -0.01 -0.11 0.09 -0.01 0.10 -0.06 0.08 -0.06 0.05 -0.00 -0.09 -0.11 0.13 -0.00 0.06 -0.09 -0.01 -0.01 -0.14 0.12 0.04 -0.01 -0.05 0.01 -0.09 0.02 -0.09 -0.17 0.04 0.07 -0.03 -0.05 -0.01 -0.03 0.03 -0.12 -0.13 -0.01 -0.06 -0.04 -0.24 0.00 -0.05 -0.17 -0.09 0.02 -0.14 0.15 -0.03 -0.10 0.10 -0.02 0.12 -0.04 0.18 0.15 -0.13 0.05 0.01 0.05 0.03 -0.05 0.12 -0.04 -0.12 0.04 -0.02 -0.15 -0.13 0.15 -0.13 -0.13 0.15 -0.00 -0.15 0.15 0.09 0.01 0.09 0.00 0.05 -0.09 0.17 0.05 0.00 -0.09 0.05 -0.07 0.03 -0.10 -0.20 -0.01 0.11 -0.05 -0.08 0.03 0.02 0.06 -0.17 -0.14 0.15 -0.05 0.04 -0.02 0.05 0.10 -0.15 0.05 0.10 -0.22 -0.08 0.03 -0.11 -0.05 -0.11 -0.02 0.01 0.01 -0.03 -0.00 0.06 0.01 -0.02 0.01 -0.01 -0.03 0.02 0.01 0.01 0.07 -0.11 -0.04 0.13 -0.08 0.04 0.02 -0.02 0.03 -0.07 0.06 -0.01 -0.08 0.08 0.04 -0.09 -0.08 0.07 0.03 0.08 0.07 -0.07 0.13 0.03 -0.08 -0.19 -0.14 -0.10 0.08 0.06 -0.03 0.14 0.01 -0.06 0.13 0.02 -0.03 -0.02 -0.01 -0.02 0.04 -0.06 0.00 -0.02 -0.00 0.14 0.08 0.05 0.08 -0.18 -0.08 0.19 -0.07 -0.10 0.11 -0.18 0.11 0.01 -0.10 -0.02 0.10 -0.03 0.06 -0.06 -0.01 0.03 -0.03 0.03 0.09 -0.11 -0.09 0.01 -0.12 -0.02 0.05 0.14 0.12 -0.06 -0.10 -0.02 0.17 0.07 0.07 0.08 -0.06 0.16 0.04 -0.10 -0.23 -0.26 -0.20 0.05 0.07 0.01 0.16 -0.00 -0.06 0.07 0.05 0.03 -0.04 -0.03 -0.02 -0.02 0.05 -0.02 0.02 0.05 -0.01 -0.02 -0.02 0.03 -0.04 0.00 0.02 -0.02 0.01 0.01 -0.03 0.03 0.03 -0.01 0.02 0.04 -0.09 -0.10 -0.15 -0.02 0.07 -0.04 -0.11 -0.01 0.05 -0.05 -0.02 -0.03 0.04 0.12 0.15 0.04 0.03 0.06 -0.04 0.01 -0.00 0.05 -0.04 -0.01 0.04 -0.03 0.01 0.02 0.01 0.02 0.05 -0.11 -0.07 0.04 -0.09 -0.05 0.05 -0.09 -0.06 0.10 0.02 0.15 -0.12 0.20 0.05 0.05 -0.10 -0.41 -0.31 -0.28 -0.18 -0.01 0.07 -0.12 -0.05 0.14 -0.01 -0.06 -0.10 0.03 -0.10 0.09 0.04 -0.21 -0.04 0.11 -0.06 -0.02 -0.05 -0.01 -0.02 -0.05 -0.07 -0.01 -0.05 -0.04 -0.03 -0.05 0.05 0.21 0.25 -0.07 -0.00 -0.01 0.07 -0.03 0.01 0.03 -0.01 0.03 0.05 -0.00 0.04 0.05 -0.15 -0.10 0.02 -0.10 -0.06 0.05 0.04 -0.02 -0.06 -0.02 -0.05 -0.04 0.03 -0.05 0.01 0.04 -0.03 -0.04 -0.03 0.04 -0.04 -0.01 -0.03 -0.02 0.00 -0.03 -0.08 -0.06 -0.07 0.01 0.03 0.04 0.02 0.12 0.15 -0.03 0.04 -0.07 0.03 0.07 -0.09 -0.05 -0.05 0.10 0.01 0.01 0.03 0.03 -0.02 0.06 -0.07 -0.01 -0.02 0.05 -0.03 0.04 0.03 -0.05 0.04 0.01 0.00 0.03 0.05 -0.05 0.01 0.02 -0.09 -0.01 0.05 -0.06 -0.01 -0.25 -0.04 -0.23 0.02 -0.29 -0.08 -0.15 0.19 0.38 0.26 0.27 0.19 -0.03 0.04 -0.11 -0.05 0.07 -0.06 0.09 0.11 -0.04 0.04 0.11 -0.14 0.00 0.07 -0.13 -0.07 -0.07 0.15 -0.12 -0.05 0.13 0.05 -0.09 0.13 -0.06 -0.02 -0.08 -0.02 -0.02 -0.02 -0.12 -0.03 -0.03 0.07 -0.02 0.06 0.02 -0.04 0.05 0.05 0.00 0.06 0.06 -0.04 0.01 0.00 -0.10 -0.03 -0.02 0.01 -0.07 0.17 -0.02 0.01 -0.02 0.20 0.05 -0.00 0.11 0.02 0.04 -0.05 -0.03 -0.02 -0.02 0.00 0.07 0.01 0.01 -0.04 -0.02 -0.02 0.04 -0.01 -0.06 -0.03 -0.02 -0.08 -0.01 0.09 0.03 -0.12 0.08 -0.02 -0.05 -0.17 -0.01 -0.00 -0.08 -0.09 0.00 -0.12 -0.01 0.00 0.11 0.02 -0.00 -0.07 0.04 0.00 -0.07 0.04 0.03 -0.05 -0.03 0.01 0.02 0.10 -0.00 0.02 0.11 0.00 0.04 0.11 -0.04 -0.02 -0.02 -0.07 -0.01 -0.00 -0.01 0.01 -0.15 -0.09 -0.03 -0.09 -0.09 0.04 -0.03 -0.00 0.11 0.04 -0.02 0.01 -0.00 -0.10 0.27 -0.03 -0.31 0.03 -0.02 -0.16 -0.23 0.22 0.01 0.01 -0.08 -0.01 -0.39 -0.15 0.16 0.02 0.09 -0.06 -0.07 -0.10 -0.00 0.17 0.04 -0.01 -0.09 0.02 -0.01 -0.09 0.02 0.05 -0.16 -0.07 0.02 0.04 0.12 0.00 0.05 0.13 -0.05 0.05 0.00 0.17 -0.00 -0.04 -0.03 0.02 0.07 -0.07 -0.01 0.05 -0.01 -0.01 -0.05 0.02 -0.02 -0.03 0.05 -0.01 -0.06 -0.00 0.02 -0.03 0.03 0.06 -0.07 0.03 0.10 -0.02 -0.01 -0.06 0.04 0.04 -0.11 0.00 0.03 -0.01 -0.03 0.02 0.12 0.06 0.01 0.07 0.09 0.02 0.03 0.03 -0.02 0.01 0.05 -0.01 0.01 0.04 -0.06 -0.04 -0.03 -0.03 -0.09 -0.02 -0.03 -0.08 -0.03 -0.04 -0.10 -0.03 -0.08 0.02 -0.04 0.01 -0.03 -0.03 -0.02 0.11 0.05 0.08 0.17 -0.03 -0.05 -0.09 0.11 -0.00 -0.15 -0.01 -0.24 0.08 -0.04 -0.01 -0.46 0.17 0.38 -0.03 -0.09 0.03 -0.04 0.18 0.05 0.19 -0.10 -0.00 -0.16 -0.15 0.16 0.04 0.07 -0.02 0.15 0.07 0.06 0.06 0.04 -0.03 0.03 0.06 -0.02 0.03 0.07 -0.09 -0.08 -0.08 -0.02 -0.12 -0.05 -0.02 -0.11 -0.04 -0.00 0.02 -0.02 0.04 0.01 -0.03 -0.01 -0.09 0.02 -0.06 -0.07 0.01 -0.03 0.03 -0.02 0.02 0.03 -0.00 0.01 0.02 -0.03 0.03 0.08 0.03 0.01 0.03 -0.04 0.02 0.05 -0.01 -0.02 -0.03 0.01 0.02 0.03 -0.00 0.02 -0.03 -0.01 -0.00 0.02 -0.01 0.00 -0.00 0.03 -0.00 -0.03 0.01 -0.00 -0.02 0.03 0.01 -0.01 0.02 -0.07 0.00 -0.01 0.00 -0.03 0.02 0.00 -0.03 0.02 0.00 -0.03 0.02 0.06 0.07 0.10 0.03 0.15 0.01 0.04 0.03 -0.01 -0.00 0.07 -0.02 0.02 -0.00 0.02 -0.06 -0.05 -0.00 0.41 -0.30 0.02 0.09 0.49 -0.26 -0.43 -0.07 0.21 -0.03 -0.02 -0.14 0.03 -0.17 0.03 0.05 0.04 0.07 0.04 0.02 0.00 -0.03 0.02 -0.02 0.03 -0.04 0.01 -0.01 -0.01 0.03 0.01 -0.01 0.02 -0.10 0.04 -0.02 -0.00 -0.04 0.02 0.01 -0.03 0.02 0.05 0.03 -0.07 -0.07 0.14 0.01 0.01 -0.11 -0.03 -0.01 -0.06 -0.01 -0.02 0.03 0.01 -0.01 0.05 -0.00 -0.03 0.05 -0.03 -0.02 0.10 0.03 -0.01 0.02 -0.06 -0.04 0.03 -0.07 -0.00 -0.02 -0.01 -0.01 -0.02 0.04 -0.02 -0.02 0.07 -0.03 -0.02 -0.07 0.00 -0.08 -0.00 -0.00 -0.07 -0.02 0.01 -0.06 0.03 0.04 -0.07 0.03 -0.03 0.04 0.01 0.03 -0.02 0.08 0.04 -0.02 0.09 0.05 -0.01 0.09 0.06 0.09 0.11 -0.06 0.21 0.03 0.02 -0.00 -0.15 -0.14 0.00 -0.09 0.06 0.02 0.03 -0.02 -0.05 -0.02 -0.32 0.21 0.00 -0.06 -0.39 0.23 0.35 0.07 -0.10 -0.09 -0.06 0.27 -0.04 0.11 0.04 0.05 -0.19 -0.01 -0.05 0.09 -0.02 -0.08 -0.01 -0.08 0.01 -0.11 -0.03 0.01 -0.07 0.02 0.05 -0.07 0.01 -0.04 0.11 0.03 0.01 -0.01 0.10 0.04 -0.01 0.10 0.02 0.02 -0.04 0.06 -0.06 -0.02 0.02 0.01 0.02 0.01 -0.01 0.01 0.03 0.00 -0.01 -0.05 -0.01 0.01 -0.02 -0.01 0.00 -0.08 -0.03 -0.02 -0.01 0.02 -0.02 -0.06 0.03 -0.02 0.01 -0.02 0.01 -0.03 -0.04 0.02 -0.03 0.19 -0.02 -0.01 -0.00 -0.04 0.00 -0.04 -0.00 0.03 0.03 0.01 -0.00 -0.03 0.02 0.02 -0.03 0.02 0.02 -0.02 -0.01 0.01 -0.01 0.05 0.02 -0.03 0.05 0.02 -0.02 0.05 -0.14 -0.03 -0.06 -0.10 -0.10 0.01 -0.09 0.06 -0.01 -0.04 0.05 -0.01 0.00 -0.03 0.04 0.03 -0.05 0.00 -0.04 -0.05 0.01 -0.04 -0.07 0.02 -0.00 -0.03 0.05 0.17 0.30 -0.46 -0.11 -0.13 0.12 -0.12 0.60 0.23 0.05 -0.03 0.03 -0.04 -0.01 -0.06 0.03 0.05 0.02 -0.01 -0.03 0.01 0.03 -0.03 0.01 0.02 -0.04 -0.02 -0.00 -0.01 0.07 0.03 -0.03 0.05 -0.02 -0.00 0.01 0.13 -0.08 -0.00 -0.02 -0.08 -0.05 -0.02 -0.05 -0.03 -0.05 0.03 0.00 0.03 0.02 0.05 0.03 0.00 0.03 0.03 -0.01 0.03 0.02 -0.01 -0.00 0.02 -0.02 -0.01 -0.03 0.06 -0.03 -0.05 0.18 0.01 0.03 -0.04 0.02 0.02 -0.00 0.01 0.01 0.00 0.01 -0.04 -0.04 -0.03 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.03 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 0.05 -0.01 0.03 0.01 0.01 0.04 0.04 -0.03 -0.03 -0.01 -0.03 -0.01 0.04 0.10 -0.15 -0.10 0.17 0.02 -0.31 0.48 0.04 -0.09 -0.02 0.22 0.16 0.23 -0.28 -0.00 -0.00 -0.27 0.03 -0.31 0.11 0.06 0.16 0.18 0.12 -0.04 0.06 0.02 0.01 0.02 -0.05 -0.06 -0.03 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.04 0.06 0.02 0.01 -0.00 -0.02 -0.01 0.01 -0.01 -0.02 0.01 0.00 0.07 0.20 0.13 -0.05 0.06 -0.14 0.06 0.06 -0.12 -0.08 -0.04 0.04 0.02 -0.03 -0.01 0.02 -0.01 0.01 0.02 -0.01 0.01 0.01 -0.02 -0.03 0.02 -0.00 0.00 0.01 -0.09 0.03 -0.02 -0.08 0.04 0.03 -0.07 0.02 0.02 -0.00 -0.01 0.01 0.02 0.01 -0.15 0.01 -0.07 0.00 0.02 0.02 0.00 0.02 0.01 0.05 -0.01 0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.03 -0.02 0.01 -0.01 0.02 0.02 -0.01 0.01 0.01 -0.01 0.04 0.04 0.04 -0.00 -0.11 -0.17 0.24 0.25 -0.23 -0.02 -0.02 -0.16 0.00 -0.02 -0.04 0.06 -0.07 -0.10 0.10 0.03 -0.02 -0.32 -0.04 -0.39 0.15 0.09 0.19 0.25 0.13 0.09 0.13 0.02 0.00 0.00 -0.27 0.01 -0.09 -0.01 0.03 0.02 0.00 0.03 0.02 0.14 -0.04 0.08 -0.00 -0.02 -0.01 0.01 -0.01 -0.01 0.03 -0.07 0.06 0.00 0.06 -0.07 -0.00 0.01 0.06 -0.03 -0.01 0.04 0.01 0.00 -0.02 -0.01 -0.00 -0.05 0.02 0.03 -0.07 -0.01 0.05 -0.03 0.04 0.03 -0.02 0.01 0.06 -0.03 -0.00 0.01 -0.02 -0.03 -0.07 -0.01 -0.02 -0.05 0.05 -0.01 0.00 0.08 -0.00 -0.12 0.07 0.03 0.02 0.03 0.10 -0.08 0.01 -0.10 -0.10 0.03 -0.03 -0.02 -0.01 0.08 0.09 -0.09 -0.10 0.10 -0.05 0.00 0.16 -0.07 -0.02 0.05 0.01 -0.00 0.07 -0.04 -0.00 0.07 -0.03 0.01 0.08 -0.04 0.00 0.01 -0.03 -0.07 -0.01 -0.04 -0.11 -0.08 -0.06 -0.05 -0.15 0.05 0.03 -0.06 0.02 -0.02 -0.01 -0.23 -0.14 -0.35 0.21 0.11 0.17 0.30 -0.00 0.08 -0.04 -0.10 0.06 0.11 0.06 0.05 0.05 0.22 -0.15 0.03 -0.20 -0.19 0.05 -0.05 -0.04 -0.04 0.18 0.11 -0.16 -0.22 0.15 -0.08 0.03 -0.03 0.02 0.13 -0.02 0.02 -0.02 -0.04 -0.08 0.02 -0.02 -0.06 -0.05 -0.01 0.02 -0.03 0.03 0.03 -0.01 -0.00 0.02 -0.04 -0.00 0.01 -0.00 0.01 0.01 -0.03 0.01 0.00 0.01 -0.06 0.01 0.01 0.04 0.01 -0.03 0.14 -0.01 -0.01 0.00 0.04 -0.01 -0.05 0.03 -0.06 -0.05 -0.05 0.04 -0.04 -0.00 -0.04 -0.05 0.01 0.01 0.02 0.01 0.03 0.04 -0.03 -0.04 0.04 -0.01 0.01 0.07 -0.02 -0.05 0.00 -0.03 -0.04 -0.05 0.02 -0.03 0.03 -0.01 -0.04 0.02 -0.00 -0.01 -0.07 0.12 0.10 -0.12 -0.01 0.13 -0.03 0.03 0.03 0.14 -0.08 -0.09 0.02 0.06 0.03 0.10 0.41 0.04 0.56 -0.19 -0.15 -0.15 -0.31 0.15 -0.03 0.09 -0.04 0.03 0.06 -0.11 -0.09 -0.07 0.08 -0.07 0.01 -0.08 -0.09 0.02 0.03 0.06 0.05 0.07 0.05 -0.05 -0.09 0.06 -0.03 0.03 0.01 0.02 -0.00 -0.01 -0.07 0.01 0.03 0.02 0.02 0.02 0.02 0.04 -0.01 -0.00 -0.01 0.03 -0.03 -0.01 -0.02 -0.06 0.06 0.04 0.01 -0.02 -0.09 -0.08 0.03 -0.06 -0.01 0.02 -0.10 0.00 -0.14 0.09 -0.01 -0.03 0.08 0.14 -0.04 -0.12 -0.09 -0.01 0.03 0.06 0.03 0.02 0.01 0.02 0.08 0.08 -0.02 0.07 0.09 0.03 -0.01 -0.00 0.01 -0.02 -0.05 -0.03 -0.02 -0.03 -0.00 -0.10 -0.12 0.17 0.03 0.07 0.07 0.14 -0.02 0.06 -0.12 0.03 0.03 -0.02 -0.02 -0.04 -0.13 0.18 0.09 -0.25 -0.06 -0.19 0.09 -0.03 -0.14 0.19 0.10 -0.24 0.06 -0.08 0.03 0.07 0.29 -0.21 0.17 0.20 0.10 0.03 0.19 -0.02 0.03 -0.03 -0.05 -0.19 -0.17 0.05 0.02 0.01 0.05 0.14 0.15 -0.03 0.12 0.14 0.02 -0.03 -0.01 0.02 -0.01 -0.06 -0.06 0.01 -0.04 0.05 0.01 0.02 0.07 0.10 0.09 0.02 -0.05 0.01 0.01 -0.03 0.01 0.02 0.03 -0.02 -0.00 -0.00 0.02 -0.02 0.02 0.03 -0.06 -0.06 -0.03 -0.03 -0.05 -0.05 -0.04 -0.02 -0.01 -0.06 0.16 -0.03 0.04 -0.07 0.04 -0.00 -0.01 -0.06 -0.05 -0.10 -0.08 -0.03 -0.00 0.05 0.04 -0.02 -0.00 0.01 0.06 0.07 -0.03 0.05 0.09 -0.00 0.02 -0.01 0.01 0.00 -0.04 -0.04 -0.02 -0.03 0.00 -0.08 -0.10 -0.10 -0.06 -0.13 -0.08 -0.16 0.01 -0.09 -0.00 0.06 0.02 0.03 -0.00 0.08 0.24 -0.38 -0.24 0.45 0.09 0.11 -0.16 0.02 0.05 -0.08 -0.04 0.04 -0.07 0.15 -0.02 -0.01 -0.08 0.09 0.01 -0.11 -0.08 -0.03 -0.13 0.10 0.05 0.14 -0.07 -0.14 -0.14 0.07 -0.02 -0.00 0.06 0.10 0.12 -0.04 0.11 0.14 -0.03 0.06 -0.02 0.03 0.03 -0.03 -0.08 0.01 -0.03 0.05 -0.00 0.01 0.00 -0.06 0.02 -0.00 0.05 -0.00 0.02 0.04 -0.00 0.01 -0.01 0.01 -0.05 -0.03 0.01 -0.02 -0.03 0.01 -0.03 0.11 0.11 -0.04 0.00 0.00 -0.07 0.03 0.03 0.01 -0.05 0.03 0.14 0.04 -0.11 -0.04 -0.07 -0.10 -0.05 -0.03 -0.03 -0.03 -0.01 0.03 -0.00 0.03 0.00 -0.00 0.02 0.03 -0.03 0.00 0.04 0.03 -0.01 0.00 0.00 0.00 -0.02 -0.03 -0.01 -0.00 0.01 -0.02 -0.04 0.06 0.09 0.36 -0.02 0.35 0.05 -0.00 -0.01 -0.03 -0.16 0.02 0.01 -0.04 -0.09 0.13 0.10 -0.12 0.01 0.20 0.25 0.04 0.14 -0.10 -0.25 0.31 0.09 -0.24 -0.08 -0.05 -0.26 0.07 -0.17 -0.12 -0.12 0.01 -0.09 -0.01 -0.03 0.03 -0.07 -0.07 -0.09 -0.02 0.05 0.00 0.03 0.02 0.05 -0.04 0.01 0.05 0.04 -0.04 0.00 0.00 0.01 -0.02 -0.06 0.01 -0.01 0.03 0.00 -0.02 0.12 0.04 0.04 0.00 -0.01 0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.08 -0.03 -0.09 -0.03 -0.02 -0.01 0.07 0.03 0.00 -0.04 -0.03 0.05 0.05 -0.06 0.07 -0.03 0.04 -0.03 -0.02 -0.07 -0.13 -0.10 0.03 0.07 -0.02 0.01 0.08 -0.04 0.04 -0.03 0.02 -0.00 -0.00 -0.05 0.09 0.00 -0.01 -0.08 -0.11 0.00 0.00 -0.01 -0.05 -0.08 -0.04 0.02 0.06 0.08 0.01 0.02 0.06 0.18 0.01 0.18 0.16 0.23 -0.10 0.09 -0.12 0.09 0.07 -0.08 0.08 0.02 0.07 -0.24 -0.12 0.22 0.04 0.03 -0.07 -0.11 -0.02 -0.10 -0.19 0.01 -0.07 -0.10 -0.03 0.04 0.13 -0.28 0.05 0.14 0.01 0.05 0.15 0.14 0.02 0.16 0.04 0.02 0.12 0.03 0.00 0.00 -0.07 0.15 0.04 0.04 -0.18 -0.23 -0.01 0.01 -0.02 -0.11 -0.21 -0.10 0.05 0.11 0.14 0.00 0.00 0.00 -0.06 -0.02 -0.02 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.05 0.02 0.06 0.01 0.01 0.01 -0.04 -0.03 -0.00 0.01 0.01 -0.04 -0.02 0.04 -0.03 0.01 -0.02 0.02 0.01 0.04 0.08 0.06 -0.02 -0.04 -0.00 -0.00 -0.04 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.02 0.15 0.13 -0.02 -0.14 -0.10 0.00 -0.00 0.00 -0.00 -0.14 -0.11 0.00 0.14 0.11 -0.00 -0.01 -0.02 -0.12 -0.02 -0.13 -0.08 -0.18 0.05 -0.04 0.05 0.00 -0.01 0.09 -0.03 -0.01 -0.03 0.13 0.06 -0.11 -0.02 -0.01 0.04 0.06 0.01 0.06 0.11 -0.01 0.04 0.06 0.01 -0.03 -0.08 0.17 -0.04 -0.08 -0.00 -0.03 -0.09 -0.07 -0.02 -0.08 -0.03 0.01 -0.03 -0.01 0.00 -0.00 0.03 0.32 0.27 -0.04 -0.32 -0.21 0.01 -0.01 0.01 -0.01 -0.30 -0.24 0.01 0.30 0.23 0.22 0.01 -0.03 0.04 -0.04 -0.06 0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 0.08 0.05 0.03 -0.02 0.04 -0.01 0.05 -0.05 -0.06 -0.10 0.00 -0.03 0.04 -0.02 -0.01 -0.00 -0.03 0.03 -0.01 0.02 0.11 0.10 -0.07 -0.00 -0.17 0.04 0.11 -0.21 0.04 -0.01 0.01 0.01 -0.00 -0.18 0.01 -0.10 -0.12 0.01 0.01 0.02 -0.00 -0.00 -0.15 0.05 0.00 -0.08 -0.06 0.04 0.02 0.02 0.05 -0.00 -0.03 -0.26 0.03 -0.24 -0.00 0.01 -0.06 0.12 0.15 0.03 0.01 -0.02 -0.04 0.22 0.08 -0.19 -0.04 -0.08 -0.05 0.03 -0.02 0.05 0.21 -0.05 0.01 0.15 -0.04 -0.10 -0.07 0.16 -0.18 0.00 0.15 -0.09 0.01 0.03 -0.00 -0.01 -0.16 0.13 0.20 0.00 0.02 0.00 -0.17 -0.06 -0.14 -0.02 0.04 -0.04 0.02 -0.02 -0.00 -0.26 0.01 0.08 -0.14 -0.09 -0.02 0.01 0.01 0.00 0.04 -0.07 -0.03 -0.01 -0.01 -0.02 -0.03 -0.01 -0.02 -0.05 -0.01 0.01 -0.02 0.07 -0.05 0.02 0.08 0.04 0.03 0.02 -0.09 0.06 0.17 0.23 0.05 0.01 -0.01 0.05 0.03 0.04 0.01 -0.06 -0.01 -0.04 -0.02 0.01 -0.01 -0.06 -0.04 -0.02 -0.09 -0.07 -0.05 -0.02 -0.01 -0.01 0.04 0.03 -0.01 0.03 0.02 -0.03 -0.01 0.01 -0.01 0.02 0.01 -0.01 0.03 0.03 -0.01 -0.10 -0.08 0.02 0.03 -0.15 0.06 -0.03 -0.09 0.13 0.13 -0.37 -0.11 -0.39 0.02 0.04 0.02 0.17 0.10 -0.07 0.00 -0.02 -0.16 -0.07 0.00 -0.18 -0.01 0.10 -0.04 0.15 -0.13 -0.04 -0.01 -0.08 -0.10 0.05 0.07 -0.04 0.06 0.00 -0.01 -0.04 -0.05 -0.18 -0.20 -0.08 -0.03 -0.01 -0.00 0.19 0.15 0.01 0.15 0.11 -0.02 -0.00 0.02 -0.01 0.15 0.11 -0.00 0.17 0.13 0.05 0.00 -0.00 -0.08 -0.05 0.15 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 0.00 0.08 -0.14 -0.06 0.06 -0.10 0.07 -0.00 0.02 -0.00 0.05 0.08 -0.02 0.01 0.11 -0.06 0.02 0.01 0.01 -0.08 -0.03 -0.11 0.16 0.03 0.03 0.01 0.05 -0.04 -0.02 -0.04 -0.01 -0.02 -0.01 -0.01 -0.05 -0.01 0.02 -0.05 -0.01 0.02 -0.02 0.01 0.00 -0.04 0.02 0.00 -0.05 0.01 0.01 -0.02 -0.02 -0.03 -0.08 0.01 0.22 -0.00 0.17 -0.04 -0.00 0.15 -0.10 -0.02 0.09 -0.07 0.01 0.00 -0.24 -0.03 0.23 0.11 -0.15 0.01 -0.12 -0.08 0.11 0.04 -0.21 -0.06 -0.25 0.37 0.07 0.15 0.00 0.20 0.05 0.13 0.06 0.04 0.04 -0.34 -0.11 -0.06 0.06 -0.06 -0.03 -0.03 -0.01 -0.04 0.03 0.06 -0.06 0.02 0.06 -0.01 0.03 0.02 -0.04 0.06 0.04 -0.07 0.07 0.03 0.00 -0.01 -0.00 -0.01 -0.04 0.03 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.02 -0.02 0.00 0.01 0.03 0.01 0.01 -0.04 0.01 0.06 0.06 0.01 0.01 -0.01 0.01 0.02 0.03 -0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.06 -0.12 0.01 0.16 0.14 -0.01 -0.01 -0.01 -0.00 -0.01 0.02 -0.00 -0.01 0.02 -0.00 0.00 0.00 -0.01 -0.06 -0.05 -0.01 -0.06 -0.05 0.01 0.15 0.11 -0.00 0.01 -0.06 0.02 -0.02 -0.04 0.07 0.05 -0.18 -0.07 -0.18 0.00 0.01 0.02 0.04 0.03 0.02 0.04 -0.03 -0.06 -0.04 -0.01 -0.04 0.01 0.01 -0.01 0.04 -0.02 -0.01 0.01 -0.02 -0.02 0.02 0.05 -0.02 0.02 -0.00 -0.06 -0.01 -0.04 -0.25 -0.35 -0.02 -0.01 -0.01 -0.01 -0.25 -0.17 -0.04 -0.28 -0.17 0.00 0.01 0.01 -0.01 -0.33 -0.28 -0.05 -0.34 -0.28 0.03 0.00 -0.00 0.02 0.12 -0.08 0.01 -0.01 0.01 -0.03 0.01 0.03 -0.01 -0.01 -0.01 0.02 -0.11 0.04 0.06 -0.02 -0.09 -0.06 -0.08 0.11 0.07 0.06 0.13 -0.02 -0.01 0.04 0.03 -0.06 -0.13 -0.01 0.02 0.00 0.06 0.01 0.00 0.02 -0.05 0.01 -0.01 0.02 -0.00 -0.01 0.02 0.03 -0.03 0.02 -0.01 -0.03 0.02 -0.02 -0.02 -0.02 -0.01 -0.03 -0.01 0.01 -0.03 -0.01 0.01 -0.02 -0.00 0.02 -0.14 -0.08 0.11 -0.06 -0.11 0.12 0.04 0.08 -0.24 -0.22 -0.21 0.03 0.02 -0.06 -0.18 -0.07 -0.05 -0.14 0.03 0.14 0.08 0.00 0.14 0.01 -0.10 0.00 -0.18 0.21 0.05 0.01 0.07 0.12 -0.04 -0.09 0.07 -0.05 -0.16 0.53 0.16 0.02 -0.17 -0.13 -0.00 0.05 0.04 -0.06 0.01 -0.03 -0.03 -0.01 -0.04 -0.03 -0.04 -0.02 -0.06 -0.04 0.00 -0.01 -0.04 -0.01 -0.03 -0.00 0.00 0.03 -0.07 0.02 0.01 -0.03 -0.02 0.01 0.02 0.00 0.01 0.00 0.00 0.06 0.05 -0.07 -0.02 -0.03 0.02 -0.05 0.10 -0.09 -0.08 -0.03 0.05 -0.12 -0.00 0.04 -0.01 -0.01 -0.01 -0.02 -0.01 -0.02 0.14 -0.01 0.00 -0.03 -0.01 0.02 -0.01 -0.00 -0.01 -0.00 0.02 0.00 0.04 0.01 -0.02 0.02 -0.01 -0.00 0.02 -0.02 -0.01 0.04 0.00 -0.00 0.03 -0.01 0.01 0.03 -0.00 0.00 0.03 0.09 -0.00 -0.09 0.18 -0.08 -0.17 -0.01 0.14 0.03 0.00 0.08 0.00 0.00 -0.03 -0.02 0.03 0.01 -0.12 -0.11 -0.12 -0.03 -0.00 0.11 -0.07 -0.03 0.06 0.08 -0.03 0.04 0.11 -0.02 0.02 0.20 -0.05 0.01 -0.28 0.65 0.38 0.01 -0.05 -0.01 -0.01 0.06 0.01 0.05 0.01 -0.00 0.04 0.01 0.00 0.03 -0.04 -0.01 0.04 0.00 0.00 0.03 0.01 0.02 0.02 0.00 -0.00 -0.03 -0.07 0.03 0.01 -0.03 -0.02 0.00 0.01 -0.01 -0.01 0.00 0.01 -0.03 -0.03 0.03 0.01 0.00 0.05 0.06 -0.04 0.01 0.04 0.01 -0.08 0.10 0.03 -0.07 0.02 0.03 0.03 0.00 -0.01 -0.00 -0.09 0.00 0.01 0.02 0.04 -0.03 0.01 -0.01 0.01 -0.02 0.01 -0.00 -0.04 -0.03 0.03 0.01 -0.01 0.02 0.01 -0.02 -0.00 -0.04 0.01 -0.00 -0.00 0.02 -0.02 -0.02 0.01 -0.01 0.01 -0.04 0.00 0.08 -0.06 0.01 0.10 0.00 -0.02 0.08 0.10 -0.09 0.04 0.04 0.03 0.03 0.06 0.05 0.07 0.03 0.05 0.01 -0.03 -0.08 0.03 -0.00 -0.01 -0.06 0.01 0.02 -0.10 0.02 0.01 -0.13 0.02 0.00 -0.40 0.74 0.31 -0.00 0.09 0.02 -0.04 0.02 0.00 -0.04 -0.03 0.03 -0.02 -0.03 0.03 0.03 -0.04 0.00 -0.02 0.02 -0.01 -0.02 0.02 -0.03 -0.03 0.01 -0.01 0.02 0.03 0.01 0.00 -0.04 -0.00 0.00 0.05 0.03 0.03 -0.03 -0.02 0.01 -0.02 0.01 -0.07 -0.03 -0.03 0.03 -0.03 0.01 -0.09 0.06 0.05 0.00 -0.04 0.04 -0.04 -0.06 -0.06 0.00 0.01 0.02 0.05 -0.01 0.00 -0.07 0.08 -0.02 -0.01 -0.07 0.09 0.01 0.05 0.01 -0.19 -0.12 0.15 0.29 -0.16 0.13 0.01 -0.00 -0.00 -0.21 0.13 -0.13 0.26 0.11 -0.14 0.03 0.06 -0.10 0.01 -0.03 -0.03 0.05 -0.07 0.01 0.06 -0.06 -0.03 -0.02 -0.17 0.06 -0.01 -0.04 -0.10 -0.08 -0.03 -0.05 0.00 0.04 0.03 0.01 0.05 0.03 -0.03 0.00 -0.04 0.02 -0.01 -0.00 0.06 -0.02 -0.00 0.05 -0.02 -0.00 0.14 -0.21 -0.00 -0.11 0.03 -0.09 0.01 0.15 0.05 -0.05 -0.14 0.22 0.21 -0.15 0.20 0.00 -0.00 -0.01 -0.12 0.21 -0.14 0.14 0.20 -0.15 -0.01 0.00 -0.00 0.01 0.01 -0.08 -0.06 0.23 0.07 0.06 -0.19 -0.06 -0.01 0.14 0.04 0.01 -0.06 -0.00 -0.00 0.05 -0.01 -0.02 -0.03 0.05 -0.00 -0.00 0.01 -0.02 -0.01 0.02 -0.07 0.09 0.10 -0.03 -0.04 -0.06 0.06 -0.01 0.00 -0.01 -0.01 0.02 -0.01 -0.01 0.01 0.05 -0.20 -0.07 -0.03 -0.01 0.01 0.04 -0.02 0.02 0.02 0.02 0.01 -0.03 0.02 -0.02 0.04 0.01 -0.02 0.01 0.01 -0.01 -0.04 -0.04 0.12 -0.02 0.01 0.04 -0.01 -0.01 0.00 -0.04 -0.01 0.01 -0.18 0.03 0.31 0.06 -0.08 0.03 -0.02 0.01 -0.04 -0.02 0.01 -0.05 -0.06 -0.04 -0.12 0.16 0.01 0.01 0.02 0.04 0.01 0.01 0.03 0.01 -0.10 0.25 0.05 -0.01 -0.01 0.01 0.15 -0.64 -0.21 -0.01 -0.02 0.02 0.04 -0.01 0.02 0.02 0.02 0.00 -0.02 0.02 -0.03 0.03 0.02 -0.03 0.09 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.04 0.01 -0.03 -0.02 -0.00 -0.04 0.02 0.01 0.00 0.12 -0.05 0.14 -0.02 0.01 -0.10 0.10 -0.07 0.12 -0.14 0.02 -0.13 -0.06 0.05 0.11 0.00 -0.02 0.02 0.02 0.03 -0.04 0.02 -0.02 0.21 -0.06 0.02 0.12 -0.01 0.00 -0.02 -0.04 0.01 -0.14 -0.09 0.15 -0.01 0.05 -0.05 -0.04 -0.02 -0.00 -0.17 -0.04 0.04 -0.03 0.08 -0.12 -0.16 0.02 0.01 0.13 0.09 -0.02 -0.15 0.24 -0.07 -0.27 -0.01 0.24 0.07 0.12 0.07 0.05 -0.03 -0.09 0.08 0.05 -0.00 -0.04 -0.11 -0.07 0.00 -0.08 0.06 0.08 0.04 0.21 -0.12 0.00 -0.02 -0.03 -0.03 -0.00 0.02 -0.01 -0.00 -0.01 -0.03 -0.12 0.29 -0.02 0.11 -0.03 -0.11 -0.02 -0.27 -0.06 0.10 -0.18 -0.01 0.04 -0.03 -0.04 -0.00 -0.09 -0.03 -0.03 0.03 0.04 -0.11 0.00 -0.00 0.00 -0.01 -0.01 0.10 -0.03 0.06 0.03 -0.00 0.08 0.04 -0.01 0.19 0.05 -0.01 0.05 0.00 -0.03 -0.11 -0.03 0.04 0.03 -0.05 -0.02 0.04 0.03 0.03 0.03 -0.01 -0.06 -0.13 -0.13 0.03 0.05 0.09 -0.05 0.00 -0.00 0.00 0.05 -0.03 0.01 0.01 0.01 0.05 -0.11 -0.03 0.02 -0.02 -0.01 -0.03 -0.01 -0.01 0.05 -0.15 -0.05 0.02 0.00 0.02 -0.03 0.01 0.02 -0.01 -0.02 -0.02 0.01 0.04 -0.16 0.06 -0.06 -0.04 0.08 0.02 -0.09 -0.00 -0.09 -0.00 -0.10 -0.16 -0.35 -0.15 0.04 -0.06 0.03 0.03 0.08 0.03 0.04 0.08 0.04 0.05 0.11 -0.16 -0.02 -0.02 -0.02 -0.06 0.00 -0.00 -0.04 -0.01 0.02 -0.06 0.12 -0.01 -0.03 -0.12 0.14 -0.39 -0.11 0.01 -0.01 -0.01 -0.03 -0.02 -0.01 0.10 -0.47 -0.16 0.03 0.05 0.05 -0.02 0.04 0.05 -0.02 0.00 -0.00 -0.00 0.02 -0.07 0.05 -0.11 -0.05 -0.08 0.19 0.04 -0.08 0.15 0.06 0.00 -0.04 0.00 0.03 0.09 0.03 -0.04 -0.03 0.04 0.02 -0.04 -0.03 -0.02 -0.02 -0.00 0.14 0.10 0.08 -0.02 -0.04 -0.07 0.03 0.00 0.00 -0.04 -0.06 0.04 -0.04 -0.03 -0.02 -0.02 -0.06 -0.00 -0.01 0.05 -0.01 0.04 0.01 0.04 -0.01 -0.20 -0.05 -0.01 0.00 -0.05 0.04 -0.04 -0.01 0.05 0.04 0.03 -0.01 -0.04 0.13 -0.06 0.06 0.04 -0.07 -0.02 0.10 0.04 0.11 -0.01 0.22 0.16 0.21 0.18 0.03 0.05 -0.02 -0.02 -0.06 -0.02 -0.03 -0.06 -0.03 -0.04 -0.09 0.13 0.02 0.04 0.01 0.07 -0.01 -0.01 0.02 -0.01 0.06 -0.13 -0.19 -0.04 0.04 0.16 -0.06 -0.14 -0.03 0.03 0.04 0.01 0.08 0.04 0.03 0.09 -0.58 -0.15 -0.05 -0.06 -0.07 0.02 -0.08 -0.05 -0.04 -0.00 -0.00 -0.02 -0.02 0.08 0.01 0.11 0.03 -0.02 -0.10 -0.01 -0.03 -0.04 -0.01 -0.00 0.01 0.00 0.12 -0.06 -0.00 -0.03 0.07 -0.06 0.07 -0.02 -0.00 0.03 0.07 -0.08 0.12 -0.06 -0.11 0.03 0.04 0.08 -0.08 0.01 -0.01 -0.07 -0.13 0.12 -0.11 -0.11 -0.08 -0.01 -0.02 0.03 -0.02 0.15 -0.03 0.07 0.03 0.11 -0.05 0.05 0.02 -0.03 -0.01 -0.15 0.07 -0.12 -0.01 0.12 0.12 0.09 -0.01 0.06 -0.03 -0.07 0.11 -0.05 -0.05 0.11 0.01 0.13 0.15 -0.07 0.03 -0.12 -0.30 0.04 0.09 -0.05 0.03 0.03 0.07 0.03 0.02 0.07 0.05 0.04 0.10 -0.08 0.01 -0.03 -0.07 -0.00 -0.01 -0.11 0.03 -0.01 -0.07 0.06 0.00 -0.10 -0.00 0.26 -0.02 -0.10 -0.00 0.09 0.24 0.09 0.20 0.20 0.14 -0.08 0.15 0.05 -0.15 -0.15 -0.17 0.00 -0.20 -0.11 -0.03 0.01 0.00 -0.01 -0.00 0.02 0.03 0.05 0.01 -0.03 -0.04 -0.01 -0.05 -0.02 0.00 0.00 0.01 -0.00 0.09 -0.01 0.01 -0.04 0.03 -0.02 0.04 -0.04 -0.02 -0.00 0.02 -0.02 0.15 0.02 -0.02 0.01 0.01 0.02 -0.04 0.00 -0.00 -0.04 -0.09 0.04 -0.05 0.20 0.16 -0.02 -0.02 0.02 -0.02 -0.03 -0.14 0.03 -0.13 -0.03 -0.05 0.01 0.01 -0.01 0.16 0.03 0.05 0.08 0.13 0.06 -0.18 -0.14 -0.01 0.03 -0.01 -0.05 0.05 -0.02 -0.02 0.02 0.02 0.03 0.07 -0.02 0.11 -0.01 -0.09 0.13 0.08 0.01 0.00 -0.00 0.01 0.01 -0.01 0.02 0.02 0.02 0.05 -0.01 0.01 -0.01 -0.04 0.01 -0.01 -0.06 0.02 -0.00 -0.03 0.02 -0.06 -0.03 -0.14 -0.01 -0.06 -0.06 0.01 0.02 -0.37 -0.37 0.07 -0.42 -0.30 -0.05 0.04 0.02 -0.09 0.15 0.10 -0.00 0.12 0.13 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.05 0.10 0.01 -0.06 -0.06 0.01 -0.07 -0.02 0.00 -0.01 -0.03 0.01 -0.00 0.00 0.02 0.07 -0.08 -0.02 -0.14 0.08 -0.01 -0.07 -0.15 0.06 0.25 0.02 -0.09 0.02 0.01 0.04 0.00 -0.01 0.00 -0.02 0.20 -0.18 -0.01 -0.01 -0.01 -0.02 -0.02 0.05 0.04 -0.02 0.02 -0.03 -0.04 0.03 -0.08 0.01 0.01 0.06 -0.02 -0.00 -0.05 -0.03 0.01 0.01 0.03 0.01 0.31 -0.10 0.11 0.04 0.15 -0.06 -0.16 -0.20 0.33 0.23 -0.10 0.14 0.22 0.00 -0.09 0.25 0.08 -0.06 0.03 0.04 0.06 0.02 0.04 0.04 -0.01 0.00 -0.01 0.03 -0.00 -0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 0.01 0.02 0.01 -0.05 0.22 -0.17 -0.07 -0.13 0.01 0.06 0.05 0.09 -0.03 0.09 0.13 -0.09 0.04 0.02 0.10 0.03 0.01 -0.09 0.07 0.06 0.00 -0.00 -0.00 -0.00 0.02 -0.04 -0.02 -0.04 -0.01 0.02 0.02 -0.00 0.02 0.01 0.00 -0.00 -0.12 0.01 -0.00 0.01 -0.00 -0.02 -0.02 -0.13 0.03 0.05 0.06 0.01 -0.02 -0.06 -0.08 0.01 0.05 0.04 0.03 0.10 -0.04 -0.02 0.01 0.00 -0.01 0.00 0.00 0.01 0.01 0.00 0.01 -0.02 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.25 -0.06 0.31 -0.10 0.47 -0.19 -0.25 0.13 0.20 0.40 0.02 0.05 -0.07 0.02 0.08 -0.06 -0.03 0.04 0.04 0.11 0.14 0.05 0.11 0.15 -0.03 0.01 -0.02 0.16 0.03 -0.02 -0.05 0.09 -0.03 -0.22 0.08 -0.03 0.02 -0.01 -0.05 -0.01 -0.08 -0.08 0.02 0.05 -0.00 -0.01 -0.04 -0.04 0.01 0.04 0.03 0.03 -0.01 -0.00 -0.01 -0.03 -0.02 -0.00 0.05 0.04 -0.01 -0.00 -0.00 -0.02 0.01 -0.02 -0.02 -0.03 -0.00 0.02 0.02 -0.01 0.02 0.01 0.00 0.01 0.06 -0.02 0.08 -0.03 0.00 -0.01 -0.01 0.03 0.08 -0.02 -0.02 -0.05 -0.05 0.06 -0.07 -0.01 0.07 -0.00 0.01 -0.02 -0.02 0.02 -0.01 0.14 0.08 -0.06 -0.00 0.05 0.04 0.00 0.00 -0.03 -0.03 0.03 -0.11 -0.02 -0.14 0.07 0.03 -0.00 0.00 -0.07 0.05 -0.13 -0.07 -0.14 0.09 0.09 0.05 0.03 0.07 -0.01 -0.04 -0.00 -0.03 0.04 -0.04 -0.01 -0.02 -0.10 -0.08 0.05 -0.09 -0.02 -0.03 -0.10 0.04 0.09 -0.03 -0.08 -0.08 -0.01 -0.05 -0.01 0.03 0.02 0.09 -0.08 -0.00 0.01 -0.04 -0.01 0.01 0.05 -0.01 0.01 -0.04 0.05 -0.09 0.16 -0.08 -0.24 0.01 0.07 -0.01 0.05 0.27 0.11 0.04 0.24 0.33 0.03 -0.00 0.00 -0.18 0.27 0.14 -0.22 0.29 0.31 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.05 0.05 -0.00 -0.05 -0.05 -0.00 0.00 -0.00 0.01 0.05 0.05 0.00 -0.05 -0.06 -0.01 0.00 0.00 -0.02 0.01 -0.02 0.01 -0.04 0.02 0.01 0.02 -0.03 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.02 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.02 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.02 0.04 0.00 -0.01 0.00 -0.03 -0.36 -0.28 0.03 0.40 0.28 -0.00 0.00 -0.00 -0.01 -0.38 -0.30 0.05 0.42 0.31 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.02 0.01 -0.02 -0.00 -0.02 -0.00 0.02 -0.02 -0.03 -0.03 -0.02 0.03 0.04 -0.03 0.05 0.02 0.01 0.00 -0.00 0.02 -0.00 -0.01 0.00 -0.07 -0.05 0.06 0.00 0.09 0.07 -0.00 -0.00 0.01 0.01 -0.09 -0.03 0.01 -0.02 -0.09 -0.01 -0.00 0.00 0.02 -0.09 -0.00 0.03 -0.01 -0.09 -0.03 0.06 0.05 -0.08 0.03 -0.02 0.01 -0.02 -0.01 0.05 0.03 -0.07 -0.02 -0.01 -0.03 0.05 0.02 0.02 0.07 0.03 0.01 0.01 0.04 0.04 0.01 0.03 0.01 -0.02 -0.00 -0.04 0.04 0.00 -0.01 -0.00 0.01 -0.00 -0.04 0.02 -0.00 0.01 -0.02 0.02 -0.08 -0.24 -0.17 -0.02 -0.03 0.00 0.01 0.33 0.29 0.02 0.31 0.15 -0.01 -0.00 0.00 0.10 0.40 0.35 0.13 0.34 0.22 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.04 0.01 -0.00 0.01 0.00 -0.01 0.04 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.17 -0.05 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 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.19 0.91 0.28 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 0.13 0.04 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.08 0.01 -0.00 0.00 -0.00 0.01 -0.04 -0.01 -0.00 0.01 0.02 -0.07 -0.04 0.03 -0.10 -0.02 0.01 0.10 -0.06 -0.05 -0.04 -0.04 -0.01 0.01 0.09 0.05 -0.01 0.16 0.04 0.01 0.08 -0.04 -0.03 -0.01 -0.01 0.05 0.02 -0.01 -0.04 -0.03 -0.02 0.00 -0.02 0.00 0.01 0.02 0.00 0.01 0.01 0.00 -0.00 0.00 0.01 0.01 0.02 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.20 0.13 -0.25 0.18 -0.17 -0.11 0.24 -0.14 -0.17 -0.26 -0.23 0.06 0.06 0.00 -0.20 -0.03 0.33 0.32 0.02 0.11 0.12 0.05 0.13 0.13 -0.04 -0.00 -0.07 0.17 0.02 0.00 -0.14 0.09 -0.00 -0.14 0.09 0.01 -0.01 0.04 -0.08 -0.02 -0.05 -0.10 -0.05 -0.02 -0.03 0.00 -0.05 -0.03 -0.00 -0.01 -0.02 0.03 0.02 0.04 0.01 -0.12 -0.09 0.00 -0.05 -0.04 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.01 0.03 0.00 -0.01 0.03 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.17 -0.05 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 0.02 -0.01 0.01 0.01 -0.02 0.01 0.01 0.01 0.02 -0.00 0.00 -0.01 -0.03 -0.02 0.03 0.03 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.02 -0.03 -0.00 0.00 -0.00 -0.01 0.01 0.03 -0.01 0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.01 0.02 -0.13 -0.04 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.18 0.91 0.27 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.06 0.01 -0.01 -0.02 -0.01 -0.01 0.04 -0.00 0.01 -0.00 -0.01 -0.08 0.04 -0.05 0.06 -0.01 -0.02 0.14 -0.09 -0.02 -0.06 0.00 0.03 0.00 0.04 -0.01 0.09 -0.11 -0.01 -0.03 0.02 0.00 -0.05 0.03 0.08 -0.00 -0.04 0.03 0.01 -0.00 0.01 0.00 0.03 -0.01 0.01 -0.01 -0.01 -0.02 0.03 -0.01 -0.03 -0.01 -0.03 0.02 -0.03 -0.03 -0.03 0.03 0.01 0.01 -0.00 -0.19 0.15 -0.21 0.08 -0.09 -0.10 0.19 -0.12 -0.08 -0.06 -0.15 0.04 -0.02 0.08 0.33 0.14 -0.30 -0.28 0.04 0.11 0.12 0.01 0.06 -0.03 -0.05 -0.04 -0.17 0.28 0.03 -0.06 0.08 0.10 -0.05 -0.28 0.11 -0.03 0.03 -0.07 0.09 0.19 0.13 0.16 0.03 -0.03 0.02 -0.00 0.01 -0.01 -0.01 -0.03 0.03 -0.07 0.13 0.01 -0.05 0.05 0.01 -0.08 0.03 0.05 -0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.02 -0.00 0.01 0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 0.06 0.01 0.04 0.01 0.03 -0.00 -0.00 0.04 0.04 -0.01 -0.01 0.01 -0.02 -0.06 0.02 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.04 -0.08 -0.12 -0.02 0.04 0.03 -0.01 0.00 -0.02 0.01 0.00 0.02 0.00 0.01 0.00 0.01 0.00 0.00 0.01 -0.05 -0.02 0.01 -0.02 -0.03 -0.00 0.01 0.01 0.00 0.03 -0.08 0.02 -0.05 0.01 0.01 -0.05 0.04 0.02 -0.01 0.02 -0.01 -0.05 -0.15 -0.13 0.08 0.08 0.01 0.01 0.01 -0.01 -0.01 -0.04 0.01 -0.01 -0.02 0.04 0.01 -0.01 0.02 0.02 -0.01 -0.07 0.02 -0.01 -0.02 0.04 -0.09 0.03 0.54 0.64 -0.00 0.02 -0.01 0.01 -0.10 -0.06 0.00 -0.07 -0.07 0.02 -0.01 0.00 0.05 0.24 0.20 0.03 0.16 0.11 0.00 0.00 0.00 -0.00 0.02 -0.03 -0.00 0.01 0.01 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.04 0.14 0.01 -0.02 0.01 0.01 0.08 -0.02 -0.01 0.01 0.03 0.03 -0.04 -0.06 0.01 -0.05 0.03 -0.05 -0.08 -0.09 0.01 0.02 0.09 0.01 0.02 0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.10 0.10 -0.26 -0.14 -0.07 0.11 -0.07 -0.05 0.16 0.26 0.04 -0.01 0.02 -0.04 -0.15 -0.06 0.12 0.11 -0.00 0.08 0.02 -0.04 0.01 -0.15 -0.08 -0.09 -0.28 -0.16 0.02 -0.17 0.50 -0.07 -0.10 -0.32 -0.02 -0.14 0.01 0.01 -0.04 -0.00 -0.16 -0.19 -0.01 0.00 -0.01 -0.00 0.04 0.03 0.01 0.04 0.03 0.02 -0.00 0.01 -0.00 -0.06 -0.05 -0.01 -0.06 -0.04 -0.00 0.00 0.00 -0.02 -0.03 0.07 -0.03 -0.04 -0.01 0.00 0.00 0.01 0.03 0.01 0.00 0.08 -0.00 0.01 0.26 0.05 0.01 0.04 0.01 0.01 0.02 0.05 -0.07 -0.09 -0.06 0.08 -0.08 0.04 -0.06 0.03 -0.01 -0.06 -0.10 -0.03 0.02 -0.10 0.04 0.03 -0.07 -0.00 0.01 0.01 0.01 -0.02 0.01 -0.02 0.00 0.00 0.01 -0.04 0.00 -0.01 0.00 0.05 -0.02 0.05 0.04 0.05 -0.03 -0.01 -0.01 -0.00 0.16 0.02 -0.14 0.06 -0.08 0.01 -0.03 -0.12 0.05 -0.11 -0.11 0.09 -0.16 -0.02 0.15 -0.08 -0.27 -0.21 -0.14 -0.12 -0.20 0.01 0.03 0.18 -0.06 -0.03 0.03 0.11 0.04 -0.05 -0.05 0.10 -0.04 -0.33 0.11 -0.02 -0.10 0.07 -0.28 -0.30 -0.04 -0.18 0.03 0.01 -0.01 0.03 0.05 0.07 0.04 0.11 -0.00 -0.03 0.00 -0.02 0.08 -0.10 -0.05 0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.01 0.01 0.01 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.02 0.01 0.02 0.02 -0.01 -0.02 -0.00 -0.04 -0.04 0.00 0.04 0.03 -0.00 -0.00 -0.00 -0.00 -0.05 -0.03 -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 0.03 0.03 0.00 0.07 0.06 -0.01 -0.01 -0.01 -0.02 0.02 -0.04 0.01 -0.03 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.03 -0.03 0.02 0.01 0.08 0.03 0.09 -0.01 -0.05 -0.13 0.07 0.03 0.03 0.09 -0.00 0.04 -0.09 0.03 0.02 0.07 0.02 0.03 -0.00 0.01 -0.01 0.04 0.14 0.19 0.00 0.00 -0.00 0.02 0.27 0.22 0.04 0.47 0.34 0.00 -0.00 0.00 -0.00 -0.22 -0.18 -0.04 -0.43 -0.33 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.08 -0.01 -0.02 -0.06 -0.02 -0.02 0.00 -0.03 0.00 -0.01 -0.01 0.01 -0.00 0.04 0.01 0.01 0.02 0.01 0.09 -0.02 -0.04 -0.08 0.04 0.04 0.01 -0.02 -0.03 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.02 0.02 0.00 -0.00 -0.00 -0.05 -0.04 0.14 0.03 0.05 -0.03 0.02 0.07 -0.09 -0.10 -0.02 -0.00 0.03 0.03 0.05 0.06 0.01 0.01 -0.29 -0.08 -0.26 0.07 0.24 0.50 -0.27 -0.10 -0.13 -0.34 -0.00 -0.10 0.19 -0.11 -0.03 -0.13 -0.08 -0.09 0.02 -0.02 0.09 0.07 0.13 0.18 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.14 0.11 0.01 0.01 0.00 -0.01 0.02 0.01 -0.02 -0.13 -0.10 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.05 0.03 -0.15 -0.21 -0.04 -0.02 0.39 0.01 0.22 0.00 -0.00 -0.00 -0.02 -0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 0.03 0.02 -0.02 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.07 0.07 -0.19 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.19 -0.09 0.19 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.02 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.16 0.06 0.01 -0.01 0.01 0.00 0.01 0.03 0.03 -0.02 -0.01 -0.03 -0.06 -0.00 -0.01 0.01 -0.03 0.01 0.03 -0.03 -0.01 -0.01 0.04 0.01 0.03 0.01 0.03 -0.47 -0.00 -0.30 -0.00 -0.04 -0.04 -0.00 0.03 0.03 -0.47 -0.09 -0.04 -0.00 0.04 0.03 -0.01 -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.02 -0.02 -0.00 0.02 0.01 0.00 0.00 -0.00 -0.01 -0.09 -0.07 0.00 0.05 0.04 -0.00 -0.00 0.00 0.00 0.08 0.06 -0.00 -0.05 -0.04 0.00 -0.00 -0.00 -0.03 -0.01 0.05 -0.00 0.03 -0.02 0.03 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.01 0.01 0.01 -0.04 -0.03 -0.05 0.01 0.01 0.06 -0.02 -0.00 0.02 -0.03 0.00 -0.02 0.04 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.02 0.09 0.11 -0.01 0.00 -0.01 0.04 0.49 0.39 -0.02 -0.28 -0.20 -0.01 -0.00 -0.00 -0.03 -0.43 -0.34 0.02 0.27 0.21 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.05 -0.03 -0.01 -0.01 -0.02 -0.02 0.15 0.02 0.03 -0.00 0.01 0.07 -0.15 0.04 -0.06 -0.01 0.04 0.00 0.01 -0.07 0.03 -0.05 0.02 -0.05 0.01 -0.03 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.21 0.05 -0.33 0.03 -0.23 0.17 -0.26 0.06 0.10 -0.04 0.28 -0.08 -0.02 0.03 0.08 0.05 -0.04 -0.03 0.08 0.24 0.23 0.04 0.18 -0.02 -0.10 -0.09 -0.38 -0.09 -0.02 0.10 -0.30 -0.02 0.07 0.20 -0.02 0.08 0.02 -0.03 0.04 0.05 -0.04 0.01 0.01 -0.00 0.00 -0.00 0.05 0.02 -0.04 -0.08 -0.02 -0.00 0.00 -0.01 -0.03 -0.03 -0.02 0.01 0.05 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.07 0.00 0.04 -0.04 -0.00 -0.01 0.12 -0.09 -0.09 0.04 -0.01 -0.06 -0.12 0.10 0.08 0.01 -0.01 0.00 -0.04 0.02 0.00 0.04 -0.01 0.08 0.01 -0.03 0.02 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 0.43 -0.11 -0.01 0.28 0.15 -0.24 -0.08 0.25 -0.26 -0.38 0.01 0.02 0.03 0.00 -0.02 0.01 0.03 0.02 0.07 -0.02 0.04 -0.04 -0.12 -0.16 0.08 0.04 0.10 0.04 0.01 -0.11 0.35 -0.01 -0.06 -0.22 0.01 -0.08 0.01 -0.01 0.04 -0.05 0.04 0.08 -0.01 -0.01 0.00 0.00 0.02 0.00 -0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.04 -0.01 0.01 0.04 -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 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.01 -0.05 -0.16 0.21 -0.09 0.16 -0.21 -0.00 -0.00 0.00 -0.04 0.12 -0.14 -0.01 -0.11 0.15 0.16 0.00 -0.02 0.01 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.01 0.02 0.02 0.00 0.02 -0.00 -0.01 -0.01 -0.04 -0.03 -0.00 0.01 -0.00 -0.01 0.01 0.03 -0.01 0.00 -0.00 0.00 -0.01 -0.06 0.00 -0.01 0.01 -0.00 0.01 0.21 -0.26 0.30 0.19 0.26 -0.37 0.01 -0.00 0.01 0.19 0.21 -0.27 0.23 -0.19 0.23 -0.00 -0.00 0.00 -0.00 0.03 -0.06 -0.05 0.01 -0.06 0.07 -0.09 0.35 -0.01 0.02 -0.08 0.02 -0.01 0.00 -0.01 -0.04 0.07 0.05 0.00 0.02 -0.05 -0.02 0.05 -0.02 0.04 -0.06 0.04 -0.01 0.00 0.00 0.06 -0.04 -0.02 -0.05 0.02 0.01 0.00 0.00 0.01 0.00 -0.01 -0.13 0.03 -0.18 -0.00 -0.01 0.02 -0.00 0.00 -0.01 0.11 0.02 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.05 0.01 -0.03 0.08 -0.08 0.02 -0.02 -0.03 0.05 -0.02 0.18 -0.09 0.04 -0.02 -0.04 0.22 0.14 0.09 -0.06 -0.19 -0.20 -0.02 -0.12 0.05 0.06 0.06 0.28 0.23 0.02 -0.02 -0.03 0.10 -0.03 -0.21 0.09 0.00 0.03 -0.02 0.00 0.09 -0.07 -0.04 -0.29 0.01 -0.22 0.01 -0.02 0.01 -0.00 0.01 -0.00 -0.24 0.05 -0.32 0.02 0.02 -0.02 0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.01 -0.02 0.04 -0.02 -0.01 -0.02 0.02 -0.03 0.11 -0.00 0.01 -0.03 -0.03 0.01 0.00 0.04 -0.03 -0.07 -0.07 -0.00 -0.04 0.07 0.03 -0.07 0.03 -0.04 0.09 0.01 0.05 0.03 -0.02 -0.07 0.05 0.03 0.09 -0.02 -0.02 0.00 -0.00 -0.03 -0.00 0.01 -0.04 0.01 -0.06 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.04 0.01 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.07 -0.01 0.04 -0.10 0.13 -0.06 0.05 0.04 -0.09 0.03 -0.29 0.13 -0.03 0.02 0.07 0.10 -0.00 0.01 0.12 0.26 0.30 0.01 0.13 -0.13 -0.05 -0.07 -0.34 -0.40 -0.03 0.02 0.10 -0.19 0.04 0.32 -0.16 -0.02 -0.03 0.02 0.01 -0.16 0.13 0.07 -0.09 0.00 -0.08 0.00 0.02 0.00 0.03 0.01 -0.03 -0.07 0.01 -0.10 0.01 -0.02 0.01 0.03 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.02 -0.02 -0.02 0.03 0.04 0.01 -0.00 0.01 0.02 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.29 0.19 -0.00 -0.03 -0.04 -0.04 -0.06 -0.05 -0.00 0.02 0.03 0.02 -0.17 -0.05 0.03 -0.09 0.03 0.00 0.01 -0.03 0.02 0.01 0.03 0.03 0.00 -0.01 -0.03 0.01 -0.05 0.01 0.00 -0.00 0.01 -0.01 0.01 0.02 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.02 0.00 0.00 -0.10 -0.04 0.17 0.09 0.08 -0.13 0.08 -0.02 -0.07 -0.16 0.02 -0.01 0.20 -0.05 -0.31 -0.39 0.04 0.00 -0.04 0.18 0.13 0.05 0.20 0.09 -0.16 -0.13 -0.36 -0.03 -0.01 0.05 -0.07 -0.03 0.03 0.13 -0.03 0.02 -0.04 0.04 -0.21 0.08 -0.17 -0.14 -0.09 0.02 -0.06 0.00 -0.00 -0.01 -0.01 -0.00 0.03 -0.01 -0.00 -0.02 -0.01 0.02 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.06 -0.08 -0.01 -0.02 -0.04 0.01 0.00 0.00 -0.01 -0.00 0.01 0.02 -0.04 0.03 0.14 -0.11 0.18 0.03 -0.03 -0.06 -0.13 -0.09 0.05 0.01 0.11 -0.03 -0.05 0.06 -0.06 -0.05 -0.01 0.00 -0.01 0.09 -0.00 -0.01 0.03 -0.01 -0.02 0.01 -0.02 0.04 -0.01 0.05 -0.01 -0.01 0.02 0.00 -0.01 0.01 -0.03 -0.00 -0.01 0.02 -0.01 0.01 -0.01 0.00 0.00 0.02 0.01 -0.01 -0.23 -0.04 0.26 0.10 0.11 -0.14 0.12 -0.01 -0.07 -0.04 -0.04 -0.02 -0.27 -0.09 0.15 0.22 -0.10 -0.10 0.11 0.04 0.11 -0.03 -0.08 -0.18 0.09 0.02 0.03 -0.40 -0.02 0.02 0.08 -0.16 0.04 0.18 -0.13 -0.03 -0.01 0.07 -0.22 0.22 -0.07 -0.01 0.18 0.01 0.08 -0.03 -0.02 0.01 0.02 -0.00 0.00 -0.04 -0.00 -0.02 0.07 0.01 -0.01 -0.08 0.02 -0.03 -0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.02 0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.03 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.09 -0.03 0.05 -0.10 0.03 -0.03 0.00 0.00 0.00 0.03 -0.08 0.10 0.01 0.08 -0.10 0.35 0.01 -0.04 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.05 -0.02 0.03 0.00 -0.02 -0.03 0.01 0.01 -0.01 0.01 0.00 0.01 0.02 0.02 -0.02 -0.01 -0.02 0.03 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.02 0.03 -0.01 -0.02 -0.01 0.00 -0.01 -0.34 0.04 -0.03 -0.31 -0.02 0.10 0.00 0.00 0.00 -0.34 -0.24 0.33 -0.42 0.23 -0.27 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.09 -0.06 -0.07 0.03 0.01 -0.03 0.01 0.01 0.01 0.03 0.05 0.04 -0.05 -0.06 -0.05 -0.00 0.02 0.01 0.01 0.02 0.03 0.04 0.04 0.05 0.00 -0.01 0.00 0.01 -0.01 0.02 -0.01 0.00 -0.01 0.02 0.01 -0.01 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.02 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.31 0.02 0.08 0.42 -0.09 -0.23 0.11 -0.42 0.24 -0.10 0.36 -0.14 -0.01 0.01 0.01 -0.05 -0.04 -0.03 0.01 0.01 0.03 0.01 0.01 0.05 0.01 0.02 0.06 -0.17 0.00 -0.08 0.28 -0.10 -0.02 0.02 -0.10 -0.07 -0.01 0.01 -0.04 -0.07 -0.04 -0.06 -0.00 0.00 -0.01 0.08 -0.01 0.01 -0.09 0.01 0.06 0.02 -0.00 0.01 -0.11 -0.02 0.04 0.10 -0.03 0.02 0.00 -0.00 0.00 -0.00 -0.02 0.04 0.00 -0.01 0.03 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.02 0.00 -0.03 0.04 0.03 -0.10 0.01 -0.02 0.01 -0.03 -0.02 0.04 -0.01 0.02 -0.02 0.01 0.01 0.03 -0.01 0.01 0.02 0.00 0.01 0.02 -0.00 -0.01 0.01 -0.02 0.04 -0.06 -0.02 0.00 -0.03 -0.07 -0.02 0.04 0.08 -0.02 0.03 0.01 0.00 0.01 0.07 -0.02 0.02 -0.06 -0.02 0.03 -0.01 0.03 -0.04 -0.03 -0.02 0.05 0.07 -0.00 -0.03 -0.01 -0.01 0.01 -0.04 0.08 -0.04 0.09 0.06 0.00 -0.14 -0.05 -0.02 0.03 0.01 0.03 -0.00 -0.00 -0.03 0.02 0.01 0.00 -0.03 0.01 -0.04 0.11 -0.02 -0.02 -0.04 -0.02 -0.03 -0.02 0.01 -0.05 0.16 -0.06 0.03 -0.11 -0.01 -0.05 -0.39 0.08 -0.07 0.37 0.06 -0.15 0.05 -0.00 0.04 0.47 0.12 -0.20 -0.44 0.11 -0.09 -0.00 -0.00 0.00 0.00 0.02 -0.06 -0.02 0.01 -0.08 0.01 -0.00 0.02 -0.02 -0.01 0.03 -0.06 -0.01 -0.01 -0.09 -0.03 0.16 -0.02 0.04 0.01 0.15 0.07 -0.06 -0.02 -0.07 0.02 -0.02 -0.02 -0.04 0.04 -0.01 -0.00 0.02 -0.01 -0.02 0.00 -0.02 0.02 -0.03 0.01 0.01 0.05 -0.00 0.05 -0.05 0.00 0.00 0.05 -0.00 -0.00 -0.03 -0.00 -0.01 0.05 -0.01 0.01 -0.03 -0.01 0.01 -0.01 0.01 -0.01 0.08 0.06 -0.17 0.12 -0.04 -0.07 0.02 -0.12 0.05 -0.05 0.14 -0.03 -0.22 -0.13 -0.02 0.29 0.13 0.06 -0.08 0.01 -0.05 0.03 0.08 0.15 -0.09 -0.04 -0.02 0.07 -0.01 0.02 -0.04 0.01 0.01 0.06 0.01 0.02 0.03 -0.02 0.12 -0.27 0.02 -0.06 0.29 0.03 0.10 -0.29 0.08 -0.07 0.28 0.09 -0.14 -0.10 -0.00 -0.07 0.27 0.07 -0.12 -0.22 0.06 -0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.07 -0.01 -0.01 -0.03 -0.01 0.02 -0.04 0.02 -0.09 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.04 -0.12 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.19 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.00 -0.02 0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.02 0.00 -0.01 0.11 0.04 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.02 -0.00 0.00 0.67 0.14 -0.02 0.02 -0.00 0.00 -0.02 -0.00 0.01 0.38 -0.08 0.54 -0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.01 -0.04 0.02 0.00 0.01 -0.01 -0.01 0.03 -0.08 0.13 -0.09 0.06 -0.02 -0.03 -0.08 -0.06 0.03 -0.06 -0.02 0.05 0.09 0.00 -0.00 -0.01 0.02 0.01 0.04 -0.06 0.04 0.03 -0.06 0.03 -0.01 0.02 -0.02 -0.03 0.01 -0.02 0.02 -0.00 0.02 0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.01 0.00 -0.02 -0.00 -0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.36 -0.07 -0.12 -0.04 0.10 -0.03 0.09 0.03 -0.06 -0.25 0.37 -0.17 -0.19 -0.09 -0.03 0.16 0.07 0.05 -0.06 0.16 0.11 0.05 0.21 0.07 -0.10 -0.08 -0.24 0.24 0.02 -0.07 0.08 0.13 -0.06 -0.13 0.08 0.02 -0.03 0.04 -0.12 0.21 -0.04 0.01 0.15 0.01 0.05 0.10 -0.04 0.04 -0.10 -0.02 0.07 -0.12 0.01 -0.11 0.02 0.00 -0.01 0.09 -0.03 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.04 0.01 -0.00 0.00 0.00 0.00 0.05 -0.02 0.02 0.05 0.01 -0.02 -0.00 0.00 -0.00 -0.04 -0.02 0.03 -0.03 0.01 -0.02 -0.03 0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.01 0.00 -0.02 0.01 -0.00 0.05 -0.05 0.02 -0.01 -0.01 -0.01 0.01 0.02 0.01 -0.01 0.00 -0.00 0.00 0.01 0.02 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.09 -0.03 -0.00 0.05 0.01 0.01 0.50 -0.17 0.17 0.43 0.14 -0.25 -0.04 0.00 -0.03 -0.36 -0.14 0.21 -0.40 0.14 -0.14 0.00 -0.00 -0.00 0.01 -0.02 0.03 -0.07 -0.00 -0.04 0.07 0.01 -0.00 -0.03 -0.03 0.08 0.02 -0.00 -0.05 0.00 0.06 -0.06 0.05 -0.00 0.02 -0.03 -0.01 -0.01 -0.03 0.00 -0.01 0.03 -0.02 0.02 -0.02 0.01 0.02 -0.01 -0.00 0.03 -0.02 -0.01 0.01 0.07 -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.03 0.00 -0.02 -0.01 0.01 -0.01 -0.02 -0.01 0.01 0.01 -0.00 0.00 -0.26 0.00 0.12 -0.01 -0.06 0.07 -0.14 0.11 0.00 0.16 -0.24 0.09 -0.05 -0.06 -0.08 0.11 0.15 0.11 0.05 0.00 0.05 -0.01 -0.02 -0.07 0.06 0.03 0.00 -0.02 0.01 -0.06 0.09 0.01 -0.02 -0.09 -0.01 -0.03 -0.04 0.05 -0.13 -0.08 0.03 0.03 0.55 0.09 0.09 -0.13 0.05 -0.05 -0.06 -0.04 0.02 -0.39 0.02 -0.33 -0.04 0.00 -0.00 -0.03 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.09 -0.04 0.10 0.08 0.03 -0.05 0.01 -0.02 0.07 -0.06 -0.07 0.12 -0.01 -0.02 -0.01 -0.02 0.02 -0.03 0.02 -0.01 0.01 0.01 0.01 0.00 0.08 0.02 -0.01 0.03 0.03 -0.04 0.02 0.03 -0.05 0.04 0.01 -0.01 -0.12 0.03 -0.03 -0.05 0.01 -0.08 -0.01 -0.01 0.01 -0.04 -0.02 0.03 -0.01 0.00 -0.02 0.02 -0.02 0.02 0.05 0.01 -0.01 -0.00 0.01 -0.02 0.25 0.02 -0.17 0.02 0.03 -0.06 0.09 -0.06 -0.01 -0.06 0.10 -0.03 0.16 0.08 0.05 -0.16 -0.10 -0.09 -0.09 -0.10 -0.16 0.00 -0.06 0.14 -0.09 -0.01 0.10 -0.04 -0.02 0.13 -0.12 -0.08 0.05 0.21 -0.03 0.04 0.01 -0.01 0.07 0.29 -0.08 -0.00 0.37 0.08 -0.01 0.13 -0.06 0.07 -0.04 -0.01 0.03 -0.32 0.03 -0.30 0.16 0.03 -0.05 0.17 -0.03 0.03 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.02 -0.01 0.03 0.01 0.01 -0.01 0.01 -0.00 0.01 -0.07 -0.01 0.13 0.05 -0.04 -0.03 -0.05 -0.02 -0.03 -0.08 0.03 0.01 0.02 0.04 -0.00 0.02 0.02 0.00 0.04 0.00 -0.04 0.02 0.01 -0.06 -0.09 -0.03 0.03 0.24 -0.03 0.03 -0.02 0.00 -0.02 0.03 0.01 -0.02 0.07 0.03 -0.04 0.00 0.00 -0.00 -0.05 0.04 -0.04 -0.08 -0.02 0.03 0.00 -0.02 0.02 0.34 -0.03 -0.13 -0.01 0.10 -0.08 0.24 -0.26 0.07 -0.11 0.08 -0.05 0.00 0.01 0.02 -0.03 -0.05 -0.03 -0.11 -0.05 -0.13 0.01 -0.00 0.13 -0.11 -0.04 0.01 0.03 -0.02 0.13 -0.15 -0.03 0.04 0.19 0.02 0.06 -0.03 0.04 -0.10 -0.31 0.05 0.03 0.02 0.01 -0.01 -0.24 0.10 -0.11 0.00 0.01 0.01 -0.04 0.00 -0.04 -0.28 -0.05 0.08 -0.33 0.06 -0.05 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.03 -0.00 0.02 0.02 0.01 -0.02 0.00 -0.01 0.02 0.21 0.05 0.01 -0.05 -0.02 -0.01 -0.03 -0.04 -0.08 0.03 0.03 0.03 0.01 -0.02 0.05 0.02 -0.01 -0.00 -0.08 -0.02 0.01 -0.05 -0.01 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.02 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.06 -0.06 0.22 -0.16 0.12 -0.03 0.26 -0.33 0.07 -0.36 0.43 -0.15 0.09 0.04 0.01 -0.03 -0.00 -0.01 0.15 0.02 0.14 -0.05 -0.06 -0.26 0.16 0.04 -0.07 -0.04 -0.00 -0.02 -0.10 0.06 0.00 -0.16 0.05 -0.01 0.04 -0.06 0.16 -0.14 0.03 -0.04 0.13 0.02 0.00 0.03 -0.01 0.00 0.08 0.06 -0.03 -0.10 0.01 -0.09 -0.03 -0.01 0.02 -0.06 0.02 -0.02 0.00 -0.00 -0.00 -0.01 0.03 -0.05 -0.08 -0.07 0.19 0.04 0.03 -0.07 0.05 0.01 0.01 -0.02 0.06 -0.18 -0.01 -0.12 0.16 0.00 0.01 0.07 -0.00 -0.02 -0.03 0.03 -0.01 -0.01 0.09 0.08 -0.05 0.00 -0.03 0.04 0.00 -0.03 0.06 -0.02 0.01 -0.00 0.05 -0.04 0.04 -0.08 0.01 -0.10 -0.01 0.01 -0.02 0.03 0.02 -0.03 0.01 0.01 -0.01 0.01 0.02 -0.02 -0.03 0.00 -0.00 0.00 -0.02 0.02 -0.04 0.02 -0.04 -0.02 -0.07 0.10 -0.19 0.29 -0.08 0.11 -0.14 0.04 0.07 0.06 0.12 -0.23 -0.33 -0.28 0.03 0.14 0.15 0.03 0.13 -0.01 0.03 -0.01 -0.04 0.08 0.02 -0.13 0.18 0.07 -0.06 -0.19 0.01 -0.04 0.07 -0.08 0.24 -0.27 0.08 -0.03 -0.08 0.01 -0.10 -0.09 0.04 -0.05 0.05 0.01 -0.05 -0.00 0.01 -0.03 -0.08 -0.01 0.02 -0.05 0.02 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.02 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.04 0.18 0.11 0.00 -0.05 -0.03 0.04 -0.05 -0.02 0.03 0.00 -0.00 -0.07 0.04 -0.04 0.02 0.02 0.01 0.02 -0.06 -0.02 0.01 -0.07 -0.04 0.03 -0.01 0.00 -0.03 -0.01 0.02 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.42 -0.06 0.36 0.33 0.06 -0.22 0.06 -0.20 0.11 0.22 -0.26 0.10 -0.08 -0.05 -0.02 0.03 -0.02 -0.01 -0.12 0.10 -0.01 0.03 0.13 0.01 -0.12 -0.08 -0.17 0.22 -0.02 0.09 -0.14 0.15 -0.03 0.00 0.16 0.12 0.02 -0.03 0.09 -0.02 0.01 0.00 -0.03 -0.00 -0.01 -0.04 0.02 -0.01 0.05 0.02 -0.04 0.03 0.00 0.01 0.03 0.00 -0.01 0.09 -0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.11 0.04 -0.04 0.12 0.03 -0.02 -0.04 0.03 -0.12 -0.01 0.02 0.05 0.01 -0.03 -0.01 -0.00 0.02 -0.01 -0.01 -0.03 0.03 0.04 -0.06 0.00 -0.06 -0.01 0.02 0.00 -0.01 -0.01 0.00 -0.00 -0.02 0.01 0.03 -0.02 -0.02 -0.05 0.07 -0.01 -0.01 0.02 -0.06 0.03 -0.03 0.04 0.03 -0.04 -0.10 -0.07 0.18 0.05 0.02 -0.03 -0.04 0.03 -0.03 0.01 -0.06 0.08 -0.14 0.03 0.05 0.21 -0.00 -0.14 -0.23 0.32 -0.12 -0.08 0.19 -0.08 0.19 0.13 0.06 -0.22 -0.11 -0.04 -0.03 0.01 -0.01 0.00 0.01 0.01 -0.03 -0.02 -0.01 0.00 -0.01 0.04 -0.05 0.01 0.00 0.04 0.03 0.03 -0.02 0.02 -0.05 -0.07 0.06 -0.03 -0.08 -0.02 0.00 0.11 -0.03 0.03 -0.02 -0.00 -0.01 -0.58 -0.06 -0.20 0.06 0.03 -0.04 -0.05 0.04 -0.04 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.06 -0.02 0.02 -0.07 -0.02 0.02 0.02 -0.02 0.07 -0.00 -0.01 0.07 0.01 0.02 -0.03 0.02 0.04 -0.03 -0.02 -0.04 0.03 0.05 -0.11 0.03 0.03 0.01 -0.01 0.00 0.00 -0.02 0.00 0.01 -0.02 -0.00 0.03 -0.02 -0.01 -0.04 0.05 0.00 0.00 -0.01 -0.05 0.02 -0.02 0.05 0.03 -0.04 0.06 0.04 -0.11 0.04 0.02 -0.03 -0.04 0.02 -0.03 0.00 -0.07 0.08 -0.24 0.05 0.09 0.18 -0.00 -0.12 -0.33 0.47 -0.19 -0.18 0.32 -0.12 -0.10 -0.07 -0.03 0.14 0.09 0.04 -0.02 -0.02 -0.04 -0.00 -0.03 0.01 -0.03 -0.01 0.01 -0.02 -0.01 0.07 -0.06 -0.02 0.02 0.06 0.02 0.03 -0.01 0.02 -0.07 -0.07 0.05 -0.03 0.06 0.01 0.00 0.17 -0.05 0.05 -0.08 -0.03 0.02 0.33 0.03 0.11 0.09 0.04 -0.06 -0.11 0.05 -0.05 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.02 -0.03 -0.01 0.01 -0.00 -0.01 0.03 -0.04 -0.03 -0.06 0.00 0.03 -0.01 0.01 -0.04 0.00 -0.01 -0.03 0.03 -0.04 0.12 -0.03 -0.01 -0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.02 0.09 0.02 -0.03 -0.08 -0.12 0.16 0.01 0.00 -0.00 -0.12 0.06 -0.06 0.05 0.04 -0.06 0.02 0.01 -0.03 0.10 0.04 -0.06 -0.08 0.07 -0.08 0.02 -0.11 0.14 0.23 -0.04 -0.09 -0.38 0.02 0.23 0.36 -0.47 0.18 0.09 -0.23 0.08 0.05 0.03 0.00 -0.01 0.02 0.02 0.00 -0.01 -0.00 0.01 0.00 0.05 -0.00 0.01 0.03 0.01 0.01 -0.05 0.07 -0.02 -0.00 -0.01 -0.05 -0.04 -0.00 -0.00 -0.02 0.11 0.00 -0.03 0.07 0.01 0.01 0.07 -0.01 0.00 0.07 0.07 -0.07 0.07 0.01 0.02 0.12 0.04 -0.07 0.10 0.02 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 0.02 0.02 0.01 -0.01 0.01 0.01 -0.03 -0.05 -0.01 0.02 0.00 0.02 -0.02 0.06 0.01 -0.05 -0.01 -0.04 0.03 0.01 -0.02 0.02 0.01 0.01 0.00 0.02 0.01 -0.01 0.01 0.00 -0.00 0.03 0.02 -0.02 -0.03 -0.04 0.06 -0.01 -0.01 0.01 0.02 -0.01 0.01 -0.02 -0.01 0.02 -0.00 -0.01 0.01 0.04 -0.00 0.00 -0.02 0.00 -0.00 -0.01 0.06 -0.07 -0.15 0.01 0.08 -0.29 0.01 0.17 -0.02 0.09 -0.08 -0.12 0.19 -0.06 -0.16 -0.09 -0.05 0.08 0.03 0.02 -0.03 0.01 -0.03 0.01 -0.00 0.06 -0.04 -0.01 0.05 0.00 -0.00 0.02 0.00 -0.02 0.01 0.02 -0.01 -0.01 -0.02 0.03 -0.09 -0.13 0.07 -0.04 -0.08 -0.02 0.00 -0.33 0.11 -0.11 0.39 0.13 -0.22 -0.02 -0.00 0.00 -0.29 -0.13 0.19 0.37 -0.13 0.13 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.04 0.05 -0.05 -0.05 -0.02 0.03 -0.04 -0.03 0.08 0.04 0.01 -0.00 0.02 -0.03 0.01 -0.07 0.00 0.05 -0.02 -0.02 0.02 0.01 0.00 -0.03 -0.04 -0.03 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.03 0.04 0.03 0.02 -0.04 0.01 -0.00 0.00 -0.01 -0.00 0.01 0.01 0.02 -0.05 0.03 0.00 -0.01 -0.02 0.00 -0.00 -0.01 0.03 -0.04 0.18 0.01 -0.12 0.39 -0.00 -0.24 -0.07 0.10 -0.03 0.07 -0.04 -0.00 0.44 0.26 0.12 -0.21 -0.08 -0.04 0.01 -0.01 0.02 -0.00 -0.00 -0.06 0.03 0.00 -0.04 -0.02 0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.01 0.02 -0.03 0.05 -0.01 0.02 -0.01 0.23 0.05 -0.01 -0.23 0.07 -0.07 0.24 0.07 -0.14 0.07 0.01 -0.00 -0.20 -0.09 0.13 0.24 -0.08 0.09 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.08 -0.04 0.05 0.02 0.02 -0.04 0.07 0.04 -0.08 0.10 -0.03 0.00 -0.03 0.06 -0.02 -0.10 -0.00 0.07 -0.02 -0.00 0.00 -0.00 0.02 -0.03 0.04 0.00 -0.03 -0.03 0.01 0.02 -0.03 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.03 0.03 -0.05 -0.03 0.07 -0.02 0.00 -0.00 0.01 0.00 -0.00 0.02 -0.01 0.04 0.03 0.01 -0.01 -0.03 0.01 -0.01 0.00 -0.00 -0.00 0.27 -0.00 -0.19 0.49 -0.00 -0.30 -0.03 0.02 0.02 0.12 -0.12 0.03 -0.29 -0.19 -0.03 0.32 0.22 0.11 0.05 -0.11 -0.02 -0.02 -0.07 -0.13 0.06 0.03 -0.10 -0.03 0.00 0.01 -0.01 -0.02 0.00 0.00 -0.01 0.00 -0.02 0.03 -0.06 0.15 -0.04 0.02 -0.16 -0.05 0.06 -0.09 0.03 -0.03 0.10 0.03 -0.06 -0.05 -0.00 -0.02 -0.09 -0.04 0.06 0.13 -0.04 0.04 0.00 0.00 -0.00 0.01 0.01 0.00 -0.06 0.02 -0.02 -0.09 -0.01 -0.04 0.10 0.04 -0.06 -0.04 0.02 -0.01 0.03 -0.04 0.01 0.03 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.05 -0.05 -0.05 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.12 -0.06 0.12 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.12 0.01 0.04 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.09 -0.00 0.04 -0.12 0.02 0.07 0.01 -0.01 -0.00 -0.02 0.02 -0.01 0.61 0.35 0.32 0.22 0.21 0.11 -0.02 0.07 0.03 0.01 0.06 0.06 -0.01 -0.01 0.05 0.00 -0.01 -0.00 0.01 0.02 -0.01 -0.01 0.02 0.01 -0.02 0.04 -0.12 -0.06 0.01 -0.01 0.23 -0.01 0.20 0.01 -0.00 0.00 -0.02 -0.00 0.01 -0.10 0.03 -0.18 0.03 0.01 -0.02 -0.04 0.01 -0.01 0.00 -0.00 0.00 -0.02 -0.00 -0.02 0.02 0.02 -0.09 -0.10 -0.02 -0.01 0.03 0.01 -0.02 0.00 -0.01 0.01 0.02 0.03 -0.00 -0.01 0.01 0.00 -0.01 -0.03 0.01 0.01 0.01 -0.01 0.06 0.05 0.08 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.06 -0.03 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 0.12 0.01 0.05 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 0.00 0.01 0.03 -0.03 -0.01 -0.01 0.03 0.00 -0.01 -0.01 -0.01 -0.31 -0.18 -0.39 -0.35 -0.40 -0.19 0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 0.05 0.02 0.00 0.03 -0.04 -0.01 0.05 -0.04 0.00 0.09 -0.14 0.39 -0.09 0.04 -0.02 0.26 0.01 0.12 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.14 0.03 -0.19 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.04 0.02 0.02 0.01 -0.02 0.01 0.12 -0.09 -0.01 -0.05 0.03 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.08 -0.03 0.03 0.03 -0.01 -0.00 -0.01 -0.00 0.01 -0.05 -0.01 0.02 0.07 0.00 -0.01 0.02 0.00 0.00 0.07 0.02 -0.03 -0.09 0.01 -0.00 0.00 0.01 -0.01 -0.09 0.00 0.09 -0.06 -0.04 0.05 -0.03 -0.00 0.00 -0.03 0.02 0.01 -0.00 0.00 -0.05 -0.09 -0.10 -0.06 0.02 0.06 0.04 -0.00 0.04 0.04 0.02 -0.00 0.06 -0.04 -0.02 0.00 -0.05 0.03 0.01 -0.06 0.04 -0.01 -0.02 0.03 -0.08 0.79 -0.28 0.15 0.03 -0.00 0.02 -0.05 -0.02 0.02 -0.06 -0.05 0.07 -0.01 0.00 -0.02 -0.20 -0.09 0.13 0.18 -0.08 0.10 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 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 -0.01 -0.01 -0.01 -0.03 -0.04 -0.08 -0.10 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.01 0.03 -0.00 -0.02 -0.01 -0.00 0.01 -0.02 -0.01 -0.01 -0.00 -0.00 0.02 0.07 0.06 0.03 0.18 0.27 0.21 -0.03 0.21 0.31 0.17 0.02 0.37 0.39 0.12 0.01 0.34 -0.09 -0.15 0.37 -0.17 0.13 0.02 -0.04 0.10 0.02 -0.01 0.00 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.02 -0.02 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.04 -0.00 -0.03 0.03 -0.01 0.03 0.00 0.01 -0.01 -0.01 -0.00 0.01 -0.02 -0.00 0.00 0.08 0.04 -0.01 0.02 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.04 -0.03 -0.03 0.02 0.03 0.05 -0.03 0.01 0.00 -0.03 0.00 0.00 0.00 0.03 -0.04 -0.01 0.01 -0.03 -0.05 -0.01 0.02 0.06 -0.00 -0.00 -0.01 -0.00 0.01 0.06 0.00 -0.01 -0.06 -0.01 0.01 -0.01 0.02 -0.03 -0.08 0.00 -0.02 -0.07 0.05 0.03 -0.01 -0.00 0.02 -0.03 -0.01 -0.00 0.02 0.02 0.11 0.21 0.20 0.11 -0.12 -0.21 -0.16 0.02 -0.13 -0.21 -0.11 -0.01 -0.28 0.16 0.06 -0.03 0.12 -0.05 -0.04 0.15 -0.10 0.02 0.13 -0.21 0.60 -0.03 -0.00 -0.01 0.01 0.01 -0.02 0.09 -0.06 0.07 -0.12 -0.07 0.11 -0.03 -0.00 -0.01 -0.12 -0.07 0.10 0.09 -0.06 0.07 -0.00 0.00 -0.00 0.02 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 0.01 0.00 -0.04 -0.04 0.02 0.01 0.00 -0.01 0.00 0.03 -0.01 -0.00 -0.01 0.01 0.02 0.02 0.01 0.02 0.04 0.06 -0.09 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.02 0.02 0.00 -0.00 0.01 0.02 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.00 0.00 0.03 0.00 -0.01 0.00 -0.01 0.01 -0.06 0.01 0.00 -0.06 0.03 0.03 0.02 -0.00 -0.05 0.02 0.06 0.00 0.05 0.03 -0.03 -0.11 -0.12 -0.07 -0.13 -0.27 -0.18 0.02 -0.14 -0.25 -0.09 0.00 -0.34 0.36 0.11 -0.02 0.32 -0.05 -0.15 0.34 -0.15 0.14 -0.08 0.13 -0.33 0.11 -0.03 0.02 0.01 -0.00 0.01 -0.06 0.03 -0.04 0.06 0.04 -0.05 0.02 0.00 0.01 0.05 0.03 -0.05 -0.04 0.03 -0.03 -0.00 0.00 -0.00 -0.03 -0.01 -0.02 0.04 -0.00 0.03 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.00 0.07 0.03 -0.01 0.01 0.00 -0.01 -0.04 0.06 -0.04 0.01 -0.03 0.02 -0.03 -0.01 -0.02 0.00 -0.00 0.00 0.01 0.00 0.00 -0.03 0.00 -0.01 0.02 -0.07 0.08 -0.02 0.00 -0.03 0.11 0.01 -0.02 -0.11 0.01 -0.00 0.00 -0.00 0.01 -0.10 0.01 -0.01 0.09 0.01 -0.03 0.01 -0.05 0.06 -0.04 0.00 0.03 -0.01 -0.01 0.01 -0.04 0.06 -0.04 -0.02 0.05 -0.01 -0.05 -0.03 0.05 0.16 0.14 0.07 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.03 -0.00 -0.00 -0.04 -0.02 0.03 -0.04 -0.01 -0.04 0.10 -0.17 0.45 0.47 -0.14 0.06 0.03 0.01 -0.02 -0.27 0.14 -0.16 0.23 0.14 -0.21 -0.04 0.00 -0.03 0.15 0.12 -0.16 -0.17 0.11 -0.13 -0.00 -0.00 0.00 0.02 -0.00 0.01 0.20 -0.00 0.12 -0.08 -0.01 -0.04 -0.02 -0.02 0.04 0.01 -0.00 -0.01 -0.05 0.00 0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.02 -0.00 0.01 -0.10 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.11 0.01 -0.11 -0.01 0.00 0.00 0.01 -0.00 0.00 0.06 0.00 0.02 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.05 -0.01 0.05 0.02 -0.07 0.00 0.09 -0.03 -0.15 0.16 0.08 0.03 -0.11 -0.01 -0.38 0.62 -0.18 -0.04 0.00 -0.01 -0.00 -0.00 0.04 0.01 0.05 0.01 0.00 0.01 -0.01 0.08 0.04 -0.04 -0.01 -0.02 0.05 0.02 -0.07 0.12 -0.33 -0.05 0.01 -0.00 0.22 0.06 -0.07 0.03 -0.01 0.02 -0.02 -0.01 0.02 -0.12 0.02 -0.14 -0.00 -0.01 0.01 0.02 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 0.07 -0.00 0.02 -0.05 -0.01 -0.01 -0.02 -0.01 0.01 0.00 0.00 0.00 -0.02 -0.01 0.01 0.02 -0.02 0.01 0.01 0.01 -0.01 0.04 0.01 -0.02 0.02 -0.00 -0.04 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.05 0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.15 0.02 -0.22 -0.04 0.27 -0.03 -0.18 0.01 0.36 -0.34 -0.22 -0.06 -0.26 -0.17 0.37 -0.28 0.27 0.07 0.09 -0.11 -0.01 -0.01 0.05 0.09 0.11 0.03 -0.09 0.01 -0.01 0.09 0.04 -0.05 -0.01 -0.02 0.05 0.02 -0.03 0.04 -0.14 0.00 -0.00 0.00 0.06 0.03 -0.03 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.08 0.01 -0.09 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.00 0.00 0.03 0.00 0.01 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.05 0.01 -0.02 -0.03 0.01 0.03 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.03 -0.00 -0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.01 -0.05 -0.01 0.08 -0.01 -0.23 0.03 0.43 -0.41 -0.26 -0.07 0.20 0.14 -0.38 0.32 -0.28 -0.08 0.14 -0.08 0.03 -0.02 -0.10 0.12 -0.04 -0.00 -0.10 -0.07 -0.03 0.05 0.05 0.06 -0.05 0.02 0.10 0.08 0.00 -0.01 0.04 0.02 -0.01 0.00 -0.02 -0.01 0.01 -0.01 0.00 -0.01 0.02 0.00 -0.02 0.05 -0.01 0.06 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 0.01 0.00 0.00 0.01 0.00 -0.00 -0.02 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.04 -0.02 0.02 0.01 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.01 -0.08 -0.03 0.10 0.00 0.04 0.00 -0.09 0.09 0.05 0.02 0.07 0.04 -0.08 0.04 -0.07 -0.02 -0.02 -0.31 -0.15 0.02 0.50 0.06 0.57 0.13 -0.18 0.04 -0.03 0.28 0.04 -0.25 0.05 -0.13 0.10 -0.03 0.01 -0.02 0.06 0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -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 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.01 0.01 -0.00 -0.00 -0.02 0.02 -0.01 -0.00 -0.04 -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 0.01 -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 -0.02 -0.03 0.02 0.01 0.10 -0.01 -0.19 0.18 0.12 0.03 -0.02 -0.02 0.06 -0.05 0.04 0.01 0.37 -0.18 0.08 -0.06 -0.18 0.32 -0.02 0.01 -0.20 -0.26 -0.10 0.12 0.23 0.28 -0.21 0.10 0.37 0.34 0.01 -0.02 0.06 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.02 -0.03 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.01 0.01 -0.02 -0.00 -0.04 -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 0.01 -0.00 -0.03 -0.02 0.01 0.01 -0.01 -0.01 0.03 -0.03 -0.02 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.29 0.26 -0.00 0.04 -0.04 -0.31 -0.18 -0.05 0.24 -0.06 -0.09 0.53 0.30 -0.24 -0.08 -0.12 0.38 0.19 0.01 -0.02 0.02 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.02 0.01 -0.00 0.00 0.00 -0.00 0.02 -0.05 0.05 -0.00 0.00 -0.00 -0.02 -0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.32 0.03 -0.51 -0.04 0.62 -0.10 0.09 -0.01 -0.17 0.16 0.11 0.04 0.04 0.03 -0.11 0.05 -0.11 -0.04 0.07 0.10 0.08 -0.02 -0.16 0.05 -0.16 -0.04 0.06 0.06 0.02 -0.00 -0.07 -0.10 0.07 -0.07 -0.08 -0.10 0.00 -0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.02 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.02 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 0.01 -0.00 -0.03 0.02 0.00 0.00 -0.00 -0.02 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 0.01 0.01 -0.01 0.02 -0.01 0.01 -0.02 -0.00 0.00 -0.07 0.02 -0.17 -0.03 0.18 -0.02 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.01 -0.00 -0.05 0.03 -0.03 -0.01 -0.33 0.08 -0.11 0.05 0.30 -0.26 0.19 0.03 0.18 -0.26 -0.03 -0.31 0.02 0.49 -0.17 0.23 0.07 0.22 -0.00 0.00 0.02 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.06 0.02 -0.01 -0.05 -0.01 0.02 -0.01 0.00 -0.01 -0.06 -0.02 0.02 -0.06 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 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.02 -0.01 0.01 0.13 0.00 -0.01 0.01 0.00 -0.00 -0.07 0.06 -0.07 -0.04 -0.05 0.07 0.01 -0.00 0.00 -0.11 -0.07 0.10 -0.12 0.06 -0.06 0.12 0.01 -0.03 -0.01 0.00 -0.03 -0.01 0.03 -0.00 -0.02 0.01 0.01 -0.04 0.01 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.10 0.02 -0.03 0.02 0.09 -0.08 0.06 0.01 0.05 -0.07 -0.01 -0.08 0.01 0.13 -0.05 0.07 0.02 0.06 0.01 -0.01 0.03 -0.05 -0.00 0.01 -0.01 -0.00 -0.01 0.44 -0.10 0.09 0.38 0.08 -0.16 -0.01 0.00 -0.01 0.41 0.12 -0.18 0.43 -0.12 0.12 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.13 -0.03 0.04 -0.10 -0.00 -0.07 -0.18 -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.29 0.06 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.23 0.01 0.13 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.17 0.11 -0.13 0.28 -0.07 -0.02 0.03 -0.01 0.01 -0.00 -0.03 0.02 -0.02 -0.00 -0.02 0.06 0.02 0.01 -0.01 -0.07 0.03 -0.02 -0.05 -0.05 -0.00 0.01 -0.02 -0.00 0.00 -0.00 -0.53 -0.06 -0.17 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.37 0.05 -0.40 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.04 0.02 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.01 0.01 0.01 0.21 -0.26 -0.00 0.00 -0.00 0.13 -0.12 0.14 -0.11 -0.13 0.18 0.00 0.00 0.00 0.06 0.14 -0.18 -0.12 0.14 -0.18 0.04 -0.23 0.29 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 -0.02 0.03 -0.02 -0.01 0.00 0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.04 -0.19 0.05 -0.01 0.00 0.00 -0.00 -0.32 0.02 0.00 0.41 0.03 -0.10 -0.00 0.00 -0.00 -0.28 0.02 -0.00 0.33 0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.00 -0.00 -0.23 -0.00 0.02 0.00 0.00 0.00 0.31 -0.05 0.04 0.29 0.05 -0.09 0.00 0.00 0.00 -0.26 -0.04 0.07 -0.26 0.04 -0.02 0.13 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.02 -0.01 -0.01 -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 -0.01 -0.02 0.01 -0.03 -0.00 -0.00 0.00 -0.37 0.18 -0.19 -0.32 -0.16 0.25 -0.00 0.00 -0.00 0.19 0.15 -0.20 0.24 -0.13 0.16 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 0.02 -0.01 -0.00 0.05 -0.02 0.01 0.00 -0.01 0.01 -0.41 0.34 -0.18 0.04 -0.06 0.03 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.46 -0.28 0.15 -0.08 0.06 -0.06 -0.00 -0.00 0.00 -0.04 -0.01 0.02 -0.01 -0.03 0.03 -0.00 0.00 0.00 0.05 0.02 -0.03 0.01 0.01 -0.01 -0.02 -0.02 0.02 0.00 -0.01 -0.01 0.00 0.02 0.00 -0.06 0.11 -0.03 -0.05 0.02 -0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 0.10 -0.55 -0.02 0.03 0.00 0.00 0.00 0.00 -0.03 0.04 0.00 -0.01 0.04 0.00 -0.00 0.00 -0.05 -0.02 0.03 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.01 0.03 -0.00 0.00 -0.00 0.04 0.01 -0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.18 0.02 -0.23 -0.10 -0.37 -0.29 -0.25 -0.18 -0.18 0.16 0.72 -0.01 0.01 -0.00 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.04 -0.01 0.01 0.01 0.04 0.01 0.02 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 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 -0.03 0.01 -0.05 -0.00 0.00 0.00 0.03 0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.23 -0.04 0.38 0.16 0.60 -0.33 -0.29 -0.18 -0.05 0.06 0.23 0.01 -0.01 0.00 0.00 0.02 -0.03 -0.05 -0.06 0.10 0.17 -0.02 0.01 -0.05 0.20 -0.00 -0.02 0.11 0.02 -0.04 -0.03 -0.09 -0.04 -0.05 0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 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 -0.01 -0.03 -0.02 -0.03 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.01 -0.05 0.03 0.03 0.02 0.02 -0.01 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.13 -0.14 0.24 0.37 -0.04 0.02 -0.13 0.51 -0.01 0.11 -0.48 -0.07 0.11 0.09 0.27 0.16 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 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 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.02 0.03 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 0.01 -0.14 -0.06 -0.23 0.12 0.10 0.07 0.00 -0.01 -0.02 -0.01 0.01 -0.00 -0.00 -0.01 0.02 -0.11 -0.12 0.21 0.35 -0.04 0.03 -0.11 0.45 -0.00 -0.10 0.46 0.07 -0.11 -0.09 -0.27 -0.17 -0.21 0.28 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.00 -0.00 0.00 -0.03 -0.04 -0.07 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.36 -0.04 0.10 0.04 0.15 0.50 0.43 0.26 -0.16 0.10 0.54 0.01 -0.02 0.00 0.00 0.01 -0.02 0.00 0.00 -0.00 -0.04 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.04 -0.01 0.01 0.01 0.01 0.01 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.04 -0.04 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.06 -0.01 0.02 0.01 0.02 0.00 0.00 0.00 -0.00 0.00 0.01 -0.45 0.74 -0.01 -0.04 -0.23 0.44 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 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.08 -0.03 -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 0.01 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 0.05 0.87 0.07 0.18 0.06 0.29 0.17 0.15 0.09 -0.04 0.02 0.13 -0.03 0.05 0.00 0.00 0.00 -0.01 -0.02 -0.02 0.04 0.04 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.06 -0.01 -0.03 -0.02 -0.08 -0.02 -0.02 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.02 0.02 -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.02 0.01 0.03 0.02 0.02 0.01 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.01 -0.02 -0.05 -0.04 0.08 0.19 -0.01 0.01 0.04 -0.16 0.00 -0.16 0.64 0.10 0.13 0.08 0.30 0.26 0.31 -0.44 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.07 0.06 -0.01 0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.00 -0.01 -0.00 -0.02 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.07 -0.04 0.10 0.73 -0.06 0.05 0.13 -0.59 0.00 0.05 -0.18 -0.03 -0.03 -0.02 -0.07 -0.06 -0.08 0.11 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.09 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.00 0.02 0.01 0.04 0.01 0.01 0.00 -0.00 0.00 0.01 -0.02 0.03 0.00 0.01 0.03 -0.05 0.05 0.06 -0.10 0.06 -0.01 0.01 -0.01 0.04 0.00 -0.02 0.08 -0.01 0.31 0.24 0.71 -0.24 -0.30 0.38 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 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 0.00 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 -0.03 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.02 0.00 0.00 0.02 -0.04 -0.36 -0.39 0.70 -0.36 0.05 -0.04 0.07 -0.22 -0.01 0.01 -0.02 -0.01 0.04 0.03 0.09 -0.05 -0.06 0.08 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.07 -0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.00 0.02 0.01 0.04 0.00 0.00 0.00 -0.00 0.00 0.01 0.25 -0.41 -0.01 -0.08 -0.38 0.77 -0.02 -0.02 0.03 -0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.00 0.01 -0.00 0.03 0.02 0.05 -0.02 -0.02 0.03 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.06 0.05 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 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 0.29 0.72 -0.62 -0.00 -0.00 0.00 -0.05 -0.06 0.08 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.05 -0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.08 0.07 0.00 0.00 -0.00 -0.40 -0.52 0.69 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.15 0.14 -0.17 -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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.04 0.04 -0.06 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.13 0.12 -0.16 -0.00 -0.00 0.00 0.02 -0.02 0.03 -0.41 -0.51 0.71 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.04 -0.05 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.11 -0.14 0.19 0.02 -0.02 0.02 0.00 0.00 -0.00 0.55 -0.51 0.60 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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.06 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 -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 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 0.53 -0.50 0.63 -0.00 -0.00 0.00 -0.02 0.01 -0.02 -0.10 -0.12 0.17 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.03 -0.08 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.11 -0.29 0.89 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.19 -0.10 0.22 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 0.06 0.03 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 0.09 -0.29 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.60 -0.32 0.66 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.06 -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.89 0.44 -0.09 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 317.12949 0.99998 -0.00559 -2.1E-4 0.00559 0.99981 -0.01868 3.1E-4 0.01868 0.99983 asymmetric 1 0.03325 0.00481 0.00461 0.69278 0.10029 0.09596 908315.7 25.72 47.87 75.45 98.64 115.81 127.32 150.14 210.62 242.51 276.20 326.67 331.38 344.45 358.59 378.98 426.72 469.68 489.83 495.66 533.57 547.60 553.09 603.42 604.10 619.11 701.70 758.09 767.76 793.12 865.90 889.96 922.31 936.64 962.26 985.46 997.81 1027.00 1052.73 1105.88 1156.14 1188.63 1195.66 1206.93 1234.70 1272.77 1296.55 1308.65 1340.55 1352.38 1371.80 1388.26 1396.53 1404.46 1408.55 1425.33 1459.73 1478.53 1491.82 1494.37 1561.49 1572.16 1589.24 1633.07 1646.69 1671.14 1679.03 1712.63 1752.06 1759.67 1780.66 1782.77 1791.00 1810.71 1839.04 1883.26 1885.14 1895.46 1918.12 1920.41 1937.32 1964.72 1998.95 2012.31 2026.22 2053.67 2060.75 2074.84 2111.98 2125.76 2132.56 2140.46 2153.83 2176.68 2183.17 2190.07 2190.98 2211.01 2297.83 2346.31 2459.66 4341.07 4354.24 4356.81 4364.97 4385.82 4408.03 4428.33 4441.26 4452.89 4474.20 4484.23 4491.55 4520.97 4557.88 4592.61 4601.57 4640.87 4668.49 4678.10 5221.74 0.345959 0.365673 0.366618 0.296632 -1359.474656 -1359.454942 -1359.453998 -1359.523983 229.463 78.035 147.297 0.000 0.000 0.000 0.889 2.981 43.158 0.889 2.981 35.132 227.686 72.074 69.007 1 0.593 1.986 6.857 2 0.594 1.983 5.624 3 0.596 1.977 4.723 4 0.598 1.969 4.194 5 0.600 1.962 3.879 6 0.601 1.957 3.693 7 0.605 1.946 3.371 8 0.617 1.907 2.719 9 0.625 1.881 2.452 10 0.634 1.851 2.209 11 0.651 1.800 1.902 12 0.652 1.795 1.876 13 0.657 1.780 1.807 14 0.662 1.764 1.736 15 0.670 1.740 1.639 16 0.690 1.680 1.436 17 0.710 1.623 1.278 18 0.720 1.595 1.210 19 0.723 1.586 1.191 20 0.743 1.532 1.076 21 0.750 1.512 1.037 22 0.753 1.503 1.022 23 0.782 1.428 0.894 24 0.783 1.427 0.892 25 0.791 1.404 0.858 26 0.844 1.277 0.690 27 0.882 1.190 0.594 28 0.889 1.176 0.579 29 0.907 1.137 0.542 30 0.960 1.028 0.447 31 0.978 0.993 0.419 0.488598e+23 22.688952 52.243242 0.207080e+08 7.316139 16.846033 0.100000e+01 0.000000 0.000000 0.221977e+09 8.346309 19.218086 0.106293e+08 7.026504 16.179123 9 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1359.820615 3.529E-9 3.972E-6 0.3459592 0.3656733 -1359.4549417 -1359.4539975 -1359.5239831 -11.9328927,1.3337454,10.5991473,-8.3118542,0.4612785,-3.0506067 C01 [X(C17H20Cl1N3O1)] -0.3995842 0.164802 -0.8594441 -1.0212544 -0.2545761 0.0108747 -0.2971102 -0.1531171 0.0108147 0.0513359 0.0206861 -0.0862646 -0.6210588 -0.1034375 0.0405646 -0.1890658 -0.7104371 0.1161153 0.2064376 0.1889122 -0.7463274 -0.656475 -0.327822 0.0054755 -0.4630257 -0.3674593 -0.0452184 0.0788877 0.0701707 -0.0497244 -0.308391 -0.1079727 -0.1354177 -0.1589301 -0.312997 -0.03967 -0.4260128 -0.2937708 -0.4058772 -0.6822187 -0.2795045 0.0006788 -0.2165562 -0.437173 -0.0021267 0.1180954 0.0629486 -0.4560046 0.0918511 0.0608388 -0.0431539 -0.0449337 0.0294224 0.0364974 -0.0294342 0.0079382 0.0272704 0.4034226 -0.0229879 -0.0098434 0.0661326 0.4681804 -0.0753501 -0.2281096 -0.1298423 0.4945453 0.0822407 -0.0099934 0.0455269 -0.0012798 0.1241711 0.0273814 0.0960458 0.0181561 0.0626332 -0.0988901 0.0094699 0.0204437 -0.1442062 -0.0808714 -0.146158 0.0727853 -0.1730746 0.0155278 0.1207617 -0.0366266 0.0046338 0.0071845 0.083391 0.1056382 -0.0062882 0.1013073 0.0687787 0.5006189 0.2784463 -0.0061177 0.3284392 0.3271891 -0.055128 0.0759634 -0.0212858 0.0901856 0.0563653 -0.0274253 0.0059794 -0.032831 0.0229492 -0.0660876 -0.0043217 -0.0276242 0.0108949 -0.0055244 -0.0156142 0.0054334 0.0221173 0.0567079 0.0036364 0.0172264 0.0039913 0.0310945 0.0172632 0.0296503 0.0023611 0.236319 -0.0649689 -0.0266613 -0.0996934 -0.0769783 -0.0259439 0.3685202 0.0663248 0.0395404 0.0141309 -0.0209402 0.0313282 0.0208794 0.0406942 -0.0334391 0.6125989 0.3735519 0.0715057 0.2991241 0.2365979 0.0237733 0.1583716 0.127048 0.1900492 -0.1141286 0.029501 -0.0440353 -0.0121067 -0.0684607 -0.0757868 0.0090143 -0.0702161 0.0410948 -0.0719264 0.0217544 0.0133883 0.0318947 -0.0781667 -0.0252495 0.0357989 -0.022643 -0.019511 0.2069076 0.1200063 -0.0206456 0.1165855 0.081292 -0.0179413 -0.0495143 -0.047168 0.4868831 -0.2260742 -0.0719417 0.1044178 -0.0753024 -0.1258581 -0.0132978 0.1598842 -0.0129527 0.0057809 -0.3517018 -0.0471303 -0.043533 -0.0308451 -0.0915421 -0.066847 -0.1439556 -0.0767695 0.0090503 1.2674876 0.3808236 -0.0412394 0.3861681 0.1028607 -0.0419091 -0.0183437 -0.030639 0.0377185 -0.0228384 0.0431359 -0.0249097 0.0796025 -0.1350048 0.0837774 -0.0109498 0.0170187 0.0527976 -0.0448137 -0.0281441 -0.0504394 -0.0641787 -0.0167129 -0.1287388 -0.0617689 -0.0932053 -0.0863043 -0.0065 -0.0553397 -0.0114097 -0.0255919 -0.0638395 0.009045 -0.0707973 -0.0350304 0.0226384 -0.0562851 0.0122198 0.0652115 0.0988965 0.0331067 -0.0482561 0.0234035 -0.0088318 -0.0879463 -0.0852558 -0.0150488 -0.0020977 0.0470699 -0.0444658 0.0109838 -0.0212041 0.0413742 0.0612893 0.019063 -0.0475116 -0.0347778 -0.0142302 0.0794284 0.0290024 0.0391151 0.0288892 -0.0687487 0.0197882 -0.0159073 0.0631761 -0.0441182 0.0562106 0.0629975 0.0777956 0.0048018 -0.0702394 -0.1228211 -0.0761983 -0.0395154 -0.0808334 0.0421749 -0.013866 -0.0452241 -0.0114799 0.0458714 -0.021344 0.1129071 -0.0183794 0.098672 -0.1087774 0.0090111 -0.0534751 0.0637836 0.0349502 -0.0460687 0.0617025 -0.0169171 0.1270447 -0.1210364 0.0293669 -0.0299145 0.0221343 0.0771057 0.0122274 -0.029438 0.0024981 -0.0522592 0.0133141 -0.1022813 -0.0529057 -0.1295276 -0.066545 -0.009261 -0.0368969 0.0132198 -0.0676379 0.0562639 0.0677688 0.082511 0.0773577 -0.0513471 0.3991681 0.1636559 0.0414908 0.2424246 0.4920668 0.0390897 0.0479394 0.0454398 0.2860648 0.0605053 0.0096071 -0.0257713 -0.0377145 0.0437809 0.0541722 -0.0233095 0.0766442 0.0150235 0.0906024 -0.0332717 0.0327953 -0.0178572 0.1429394 0.0365947 0.0489184 0.0376634 0.0366259 0.0520514 -0.0494838 0.0562485 -0.0456655 0.0784982 0.0705982 0.0366677 0.0685471 -0.0074932 0.0548081 -0.0043969 -0.072587 -0.0014521 0.0951087 0.0271875 -0.0829617 0.0263024 -0.0055511 0.0714024 -0.0404746 0.033908 -0.0332739 0.1169889 0.0165393 0.0310165 0.0186353 0.0271893 0.0155833 -0.0024021 -0.0679558 -0.0059719 0.1224705 0.029564 -0.0732767 0.0281901 0.0260792 0.049594 -0.0340498 0.0293743 -0.0448288 0.0967146 0.0596904 0.0433681 0.0624051 0.0101248 352.6426529|49.7936338|190.4164849|14.9316278|-12.8505607|199.6407836 -0.000003822 -0.000001188 -0.000000486 -0.000002331 -0.000008490 0.000000949 -0.000000896 0.000007218 0.000001088 0.000008162 -0.000004241 0.000009939 -0.000019797 0.000006015 -0.000008183 0.000003060 -0.000007297 0.000004650 -0.000003244 0.000005863 -0.000001723 0.000002863 0.000000030 -0.000000696 0.000005167 0.000003729 0.000002745 0.000002651 0.000000767 -0.000003475 -0.000012111 0.000007840 0.000004801 0.000001983 -0.000002970 -0.000002631 0.000001847 0.000000103 0.000001764 -0.000005299 0.000000411 -0.000001681 0.000001918 -0.000000117 -0.000002993 0.000010800 -0.000009290 -0.000001817 -0.000001267 -0.000000848 0.000002822 -0.000002972 -0.000000794 -0.000000454 0.000007401 0.000000847 -0.000001000 -0.000001162 -0.000000747 -0.000000060 -0.000002101 -0.000000363 -0.000001331 0.000014554 0.000003666 -0.000001191 -0.000001155 0.000000160 0.000000364 -0.000001388 -0.000000204 -0.000001233 0.000001934 0.000000578 0.000000624 0.000001555 0.000001370 0.000000283 0.000001306 -0.000001120 -0.000002113 0.000003068 -0.000000920 -0.000003201 -0.000000744 0.000000913 0.000003209 0.000001070 -0.000000204 0.000002106 -0.000000601 0.000001811 0.000001783 -0.000001609 0.000000684 0.000000345 -0.000001661 -0.000001111 -0.000000587 -0.000001504 -0.000000446 0.000001052 -0.000001264 0.000002422 0.000001182 0.000001528 -0.000001467 -0.000000528 -0.000001876 -0.000002504 -0.000000250 0.000000704 -0.000001028 0.000000172 -0.000004256 0.000001689 -0.000002086 -0.000000108 0.000000140 -0.000001074 0.000000204 -0.000001564 0.000000251 -0.000000608 0.000000654 -0.000001335 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 15-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF19/op #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 triticonazole_Z CONF19 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.2009823105 42 42 42 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 -0.0501191883 0.000000 8.713098 0.000000 10.484939 2.969078 0.000000 11.026725 2.797642 1.357413 0.000000 12.661202 4.874173 2.195670 2.256631 0.000000 9.203020 2.503927 3.250348 3.730711 4.926976 0.000000 8.464098 1.415421 2.551497 3.026800 4.634219 1.574303 0.000000 8.691731 3.697557 4.001931 4.849171 5.685810 1.544186 2.421449 0.000000 7.004540 2.425676 3.810363 4.439756 5.968828 2.413235 1.530726 2.434478 0.000000 7.171549 3.669390 4.495290 5.350239 6.483911 2.465323 2.473579 1.547690 1.513927 0.000000 9.064090 2.420929 1.462430 2.458081 3.623979 2.649941 1.557248 3.108533 2.454551 3.210010 0.000000 9.051349 2.812919 4.540233 4.687893 6.153863 1.542351 2.521016 2.527412 2.991488 3.105458 3.949822 0.000000 10.720575 3.284218 3.027926 3.364450 4.053444 1.532104 2.633087 2.556319 3.824823 3.834482 3.131470 2.495239 0.000000 6.033416 2.786260 4.607448 5.053753 6.799673 3.623645 2.504116 3.744267 1.339375 2.585048 3.270317 3.888282 5.018622 0.000000 4.569195 4.210839 5.995329 6.496233 8.189311 4.861467 3.920846 4.680724 2.541825 3.248790 4.604404 4.957815 6.329771 1.466297 0.000000 11.552093 4.286153 1.348043 2.203138 1.322641 4.107565 3.737521 4.634967 4.918985 5.334461 2.544347 5.496969 3.506759 5.810076 7.142780 0.000000 4.018528 4.860932 6.928846 7.233678 9.096194 5.959790 4.927276 5.975558 3.735604 4.604070 5.632416 5.857523 7.401576 2.463044 1.407340 8.147287 0.000000 4.022918 5.269984 6.693794 7.399349 8.857968 5.351485 4.666868 4.754923 3.146087 3.209902 5.237957 5.531841 6.830965 2.545413 1.406470 7.698702 2.402700 0.000000 12.309937 4.082507 2.099129 1.324991 1.357351 4.670301 4.226738 5.729306 5.662017 6.424429 3.505085 5.665922 3.914893 6.348921 7.785913 2.095007 8.545880 8.634976 0.000000 2.729831 6.240748 8.257348 8.608781 10.429716 7.194408 6.248840 7.051467 4.957586 5.596980 6.923872 7.028166 8.673331 3.759042 2.445406 9.441603 1.389362 2.787993 9.916102 0.000000 2.729102 6.566398 8.058998 8.748997 10.220705 6.696263 6.043836 6.044730 4.525785 4.511217 6.603564 6.758649 8.189262 3.811709 2.440345 9.053892 2.778065 1.391170 9.993235 2.419131 0.000000 1.759168 6.969340 8.746422 9.277568 10.929684 7.500497 6.711053 7.069023 5.265301 5.546557 7.331003 7.411025 9.009973 4.274489 2.810032 9.837037 2.396930 2.403428 10.563156 1.391645 1.391110 0.000000 9.028898 4.534981 4.966197 5.744224 6.479290 2.195510 3.387391 1.092183 3.318918 2.209288 4.180068 2.672554 2.962046 4.549274 5.324519 5.500811 6.597856 5.248893 6.547835 7.577146 6.429180 7.492196 0.000000 9.278498 4.213159 3.698442 4.753275 5.176598 2.177240 2.844154 1.094952 3.029154 2.186211 2.961651 3.461548 2.672790 4.340779 5.293653 4.049621 6.634545 5.283543 5.468390 7.707226 6.571747 7.668651 1.753074 0.000000 6.637009 4.245693 5.501387 6.249444 7.492347 3.073884 3.263612 2.201888 2.148741 1.094479 4.227496 3.208643 4.500548 2.864585 3.150941 6.382048 4.422927 2.924385 7.358184 5.256556 4.067413 5.097864 2.399524 3.023274 0.000000 7.014315 4.453750 4.789697 5.822196 6.721407 3.342189 3.188411 2.196128 2.179739 1.094708 3.465918 4.170793 4.543911 3.029692 3.435403 5.473031 4.842726 3.065480 6.833339 5.704852 4.287087 5.465475 2.813288 2.358148 1.752310 0.000000 8.586379 2.622380 2.081098 2.819755 4.141078 3.543285 2.143278 3.945326 2.625801 3.658888 1.091838 4.663867 4.169678 2.992946 4.231954 3.149587 5.110763 4.978525 3.915100 6.384621 6.276604 6.876375 5.034080 3.861989 4.614586 3.789902 0.000000 9.070193 3.370128 2.061077 3.315640 3.914642 2.873967 2.200400 2.788206 2.679181 2.935525 1.090159 4.321010 3.331122 3.647671 4.802020 2.642646 5.984700 5.146783 4.143656 7.178309 6.489882 7.384488 3.836532 2.326973 4.026723 2.905445 1.769891 0.000000 9.571141 2.564440 4.564492 4.389126 6.035172 2.180114 2.811849 3.482267 3.565460 4.018737 4.207971 1.090484 2.732060 4.265841 5.421178 5.579960 6.135651 6.201066 5.338022 7.361237 7.417719 7.919885 3.715666 4.311946 4.172425 5.076360 4.847949 4.797806 0.000000 8.044413 2.959009 5.097535 5.297005 6.920136 2.200638 2.717604 2.776971 2.632497 2.796170 4.243575 1.092444 3.468507 3.279767 4.138939 6.161901 4.975594 4.704230 6.402459 6.071750 5.851211 6.439554 2.924403 3.831722 2.614741 3.887718 4.768514 4.599578 1.757804 0.000000 9.644324 3.879473 5.288419 5.480838 6.698186 2.169257 3.478848 2.780362 3.873421 3.617170 4.791655 1.093748 2.727096 4.835063 5.783518 6.078725 6.720277 6.182880 6.317234 7.805797 7.346862 8.072372 2.488761 3.675494 3.566787 4.630657 5.601626 5.009174 1.775904 1.772366 0.000000 11.238632 4.186564 4.088074 4.382662 4.864804 2.160917 3.558450 2.873578 4.562301 4.307223 4.175960 2.658229 1.093865 5.782857 7.001429 4.411837 8.090922 7.395913 4.795938 9.308545 8.708351 9.572381 2.865219 3.049557 4.796110 5.040264 5.222464 4.253172 2.966160 3.689109 2.430144 0.000000 11.073571 3.820480 2.610286 3.248425 3.377105 2.196455 2.977413 2.765698 4.142802 4.059734 2.921249 3.468163 1.091012 5.377691 6.683156 2.722251 7.829181 7.092545 3.587725 9.094034 8.464161 9.363730 3.279055 2.428827 4.885893 4.534468 4.003616 2.883878 3.777332 4.346386 3.698775 1.758386 0.000000 11.169803 3.043359 2.928985 2.804752 3.727198 2.181699 2.870323 3.505705 4.269427 4.601852 3.353387 2.801228 1.092696 5.298562 6.690699 3.492275 7.619552 7.378020 3.286962 8.946470 8.741192 9.435709 3.962587 3.678507 5.253501 5.365658 4.279480 3.836514 2.592532 3.799046 3.167674 1.764565 1.769340 0.000000 9.598465 0.972530 2.481686 1.953735 4.135322 2.895713 1.954099 4.204502 3.236817 4.402724 2.445128 3.367836 3.221510 3.649482 5.088971 3.753905 5.702541 6.146677 3.205625 7.090888 7.455051 7.853888 5.055978 4.547499 5.080148 5.118440 2.686456 3.485636 2.953498 3.740305 4.351017 4.186622 3.646144 2.725594 0.000000 6.522857 2.358192 4.453766 4.638841 6.583866 3.953366 2.620732 4.429963 2.054201 3.504383 3.314855 4.150816 5.196138 1.086833 2.159770 5.743441 2.605814 3.455831 5.957135 3.991987 4.594184 4.797228 5.284838 4.995866 3.846951 4.003845 2.858962 3.965006 4.253226 3.645994 5.194884 6.044071 5.591622 5.252961 3.131087 0.000000 11.561694 4.968550 2.136121 3.231770 2.147644 4.411436 4.157906 4.579687 5.115805 5.278600 2.876662 5.905897 3.884540 6.077263 7.303349 1.079300 8.410517 7.672151 3.152074 9.638016 8.995393 9.889349 5.402407 3.785860 6.350111 5.226610 3.489504 2.540350 6.165371 6.527904 6.402061 4.683625 2.927159 4.136378 4.586225 6.176287 0.000000 4.866488 4.505185 6.760442 6.868719 8.865731 6.015867 4.876542 6.300056 3.958462 5.079863 5.601120 5.846234 7.370693 2.645698 2.154591 8.038477 1.084659 3.388807 8.178334 2.136703 3.862689 3.376293 6.979161 6.975528 5.001118 5.450167 5.020406 6.135908 5.930380 5.034091 6.785528 8.109727 7.848625 7.431812 5.272893 2.331019 8.431654 0.000000 4.854807 5.289291 6.342880 7.198408 8.442666 4.920943 4.422525 4.067611 2.930432 2.551417 4.888963 5.284344 6.340920 2.802104 2.163579 7.223242 3.392532 1.079892 8.364630 3.867317 2.125764 3.370903 4.522313 4.486160 2.348102 2.167287 4.791008 4.598340 6.084894 4.579824 5.837416 6.854272 6.505357 7.013260 6.124459 3.843349 7.077865 4.297524 0.000000 13.083163 4.672438 3.138436 2.103855 2.151776 5.451296 5.051220 6.632115 6.515611 7.346914 4.488810 6.262687 4.620264 7.124069 8.567312 3.137588 9.224248 9.501053 1.078992 10.604192 10.847406 11.338989 7.399751 6.442759 8.231483 7.823280 4.827962 5.194692 5.774002 7.025770 6.887618 5.403074 4.420677 3.814841 3.723305 6.625474 4.165515 8.757989 9.293043 0.000000 2.866695 6.895072 9.028699 9.268250 11.172516 8.061439 7.070892 8.030140 5.874020 6.611112 7.755159 7.806922 9.517466 4.617621 3.426202 10.247068 2.154739 3.870493 10.575427 1.082514 3.398225 2.149619 8.558044 8.709566 6.265227 6.763100 7.155632 8.092087 8.035236 6.843523 8.602512 10.164759 9.977031 9.708611 7.707105 4.660147 10.504913 2.468864 4.949716 11.196271 0.000000 2.862507 7.414438 8.706439 9.499660 10.825837 7.264910 6.750285 6.415888 5.222363 4.928263 7.244248 7.378127 8.728105 4.695320 3.421051 9.607817 3.860648 2.153750 10.704779 3.397180 1.082649 2.147338 6.693607 6.867272 4.432049 4.544266 6.984369 6.986862 8.131679 6.499427 7.859167 9.178065 8.943905 9.374972 8.296234 5.558502 9.441440 4.945240 2.451029 11.603487 4.287663 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6927814 0.1002895 0.0959571 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= 612 RedAO= T EigKep= 1.02D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 6.25D-07 NBFU= 609 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= 619 619 619 619 619 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82061502461 -1359.82061502 1 1.354832463381e+03 -6.953402670692e+03 2.354598729165e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 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. PT663S Sun Aug 15 05:36:41 2021 GINC-BELVIS19 PAULAPLA 15-Aug-2021 0 Wavefunction triticonazole_Z CONF19 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.820615 RMSD=2.268e-09 Dipole=-0.3995845,0.1648019,-0.8594443 Quadrupole=-11.9328902,1.3337448,10.5991454,-8.3118516,0.4612793,-3.0506061 PG=C01 [X(C17H20Cl1N3O1)] 0 6.5928164664 1.7811160718 0.0983142091 0 -1.6523653083 -0.6074263364 1.59160749 0 -3.074690122 -2.2419770053 -0.4383337374 0 -3.5342665015 -2.5232820645 0.8075499721 0 -4.9715776 -3.3037482792 -0.7472460525 0 -2.5700136454 0.9547561243 -0.1367316557 0 -1.6229156655 -0.2504675194 0.222253566 0 -1.9524326787 1.4615144998 -1.4582077406 0 -0.2479035539 0.2985352136 -0.1664102894 0 -0.4229003446 1.2834082606 -1.3027975249 0 -1.811002604 -1.5339019765 -0.6393958571 0 -2.4139264291 2.0261584338 0.9617124599 0 -4.0577344336 0.6175032652 -0.2791764406 0 0.8541216247 -0.0335089026 0.5185806365 0 2.2375516016 0.4227224482 0.3512443002 0 -3.9472872458 -2.7207362076 -1.3475009845 0 3.1362190928 0.208786244 1.412956535 0 2.7392222116 1.0556493736 -0.8002275014 0 -4.6745882582 -3.1543503934 0.5687628851 0 4.4614595311 0.6210186054 1.348702279 0 4.0647162913 1.47015785 -0.8814890039 0 4.9170536741 1.2549810546 0.1966604051 0 -2.2336738529 2.4968280384 -1.6628877194 0 -2.323956408 0.8654100895 -2.2981774032 0 0.0723337507 2.2278502107 -1.0565103398 0 0.032412451 0.9304034165 -2.233637205 0 -0.9947366599 -2.2099775384 -0.3772070451 0 -1.7425917635 -1.3079259452 -1.7036801587 0 -2.8040696152 1.6612786643 1.9123998597 0 -1.3690263234 2.3006103136 1.1238693801 0 -2.965781961 2.9264219159 0.6766418808 0 -4.6311833402 1.5381516172 -0.4209662708 0 -4.262425773 -0.0250055541 -1.1368428487 0 -4.4411833933 0.1239571273 0.6171294578 0 -2.3667567035 -1.2536587959 1.7251870721 0 0.6931858317 -0.6964872644 1.3646099023 0 -3.8000099969 -2.6189945684 -2.4118535723 0 2.7833048364 -0.2858805341 2.3114222536 0 2.1026697937 1.2133091765 -1.6581970109 0 -5.3025836612 -3.5156434281 1.3683327657 0 5.1353125331 0.4529227117 2.1790653135 0 4.436744824 1.9519339528 -1.7768191227 Gaussian 16 15-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF19/op #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 triticonazole_Z CONF19 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1884.2009823105 42 42 42 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 -0.0501191883 0.000000 8.713098 0.000000 10.484939 2.969078 0.000000 11.026725 2.797642 1.357413 0.000000 12.661202 4.874173 2.195670 2.256631 0.000000 9.203020 2.503927 3.250348 3.730711 4.926976 0.000000 8.464098 1.415421 2.551497 3.026800 4.634219 1.574303 0.000000 8.691731 3.697557 4.001931 4.849171 5.685810 1.544186 2.421449 0.000000 7.004540 2.425676 3.810363 4.439756 5.968828 2.413235 1.530726 2.434478 0.000000 7.171549 3.669390 4.495290 5.350239 6.483911 2.465323 2.473579 1.547690 1.513927 0.000000 9.064090 2.420929 1.462430 2.458081 3.623979 2.649941 1.557248 3.108533 2.454551 3.210010 0.000000 9.051349 2.812919 4.540233 4.687893 6.153863 1.542351 2.521016 2.527412 2.991488 3.105458 3.949822 0.000000 10.720575 3.284218 3.027926 3.364450 4.053444 1.532104 2.633087 2.556319 3.824823 3.834482 3.131470 2.495239 0.000000 6.033416 2.786260 4.607448 5.053753 6.799673 3.623645 2.504116 3.744267 1.339375 2.585048 3.270317 3.888282 5.018622 0.000000 4.569195 4.210839 5.995329 6.496233 8.189311 4.861467 3.920846 4.680724 2.541825 3.248790 4.604404 4.957815 6.329771 1.466297 0.000000 11.552093 4.286153 1.348043 2.203138 1.322641 4.107565 3.737521 4.634967 4.918985 5.334461 2.544347 5.496969 3.506759 5.810076 7.142780 0.000000 4.018528 4.860932 6.928846 7.233678 9.096194 5.959790 4.927276 5.975558 3.735604 4.604070 5.632416 5.857523 7.401576 2.463044 1.407340 8.147287 0.000000 4.022918 5.269984 6.693794 7.399349 8.857968 5.351485 4.666868 4.754923 3.146087 3.209902 5.237957 5.531841 6.830965 2.545413 1.406470 7.698702 2.402700 0.000000 12.309937 4.082507 2.099129 1.324991 1.357351 4.670301 4.226738 5.729306 5.662017 6.424429 3.505085 5.665922 3.914893 6.348921 7.785913 2.095007 8.545880 8.634976 0.000000 2.729831 6.240748 8.257348 8.608781 10.429716 7.194408 6.248840 7.051467 4.957586 5.596980 6.923872 7.028166 8.673331 3.759042 2.445406 9.441603 1.389362 2.787993 9.916102 0.000000 2.729102 6.566398 8.058998 8.748997 10.220705 6.696263 6.043836 6.044730 4.525785 4.511217 6.603564 6.758649 8.189262 3.811709 2.440345 9.053892 2.778065 1.391170 9.993235 2.419131 0.000000 1.759168 6.969340 8.746422 9.277568 10.929684 7.500497 6.711053 7.069023 5.265301 5.546557 7.331003 7.411025 9.009973 4.274489 2.810032 9.837037 2.396930 2.403428 10.563156 1.391645 1.391110 0.000000 9.028898 4.534981 4.966197 5.744224 6.479290 2.195510 3.387391 1.092183 3.318918 2.209288 4.180068 2.672554 2.962046 4.549274 5.324519 5.500811 6.597856 5.248893 6.547835 7.577146 6.429180 7.492196 0.000000 9.278498 4.213159 3.698442 4.753275 5.176598 2.177240 2.844154 1.094952 3.029154 2.186211 2.961651 3.461548 2.672790 4.340779 5.293653 4.049621 6.634545 5.283543 5.468390 7.707226 6.571747 7.668651 1.753074 0.000000 6.637009 4.245693 5.501387 6.249444 7.492347 3.073884 3.263612 2.201888 2.148741 1.094479 4.227496 3.208643 4.500548 2.864585 3.150941 6.382048 4.422927 2.924385 7.358184 5.256556 4.067413 5.097864 2.399524 3.023274 0.000000 7.014315 4.453750 4.789697 5.822196 6.721407 3.342189 3.188411 2.196128 2.179739 1.094708 3.465918 4.170793 4.543911 3.029692 3.435403 5.473031 4.842726 3.065480 6.833339 5.704852 4.287087 5.465475 2.813288 2.358148 1.752310 0.000000 8.586379 2.622380 2.081098 2.819755 4.141078 3.543285 2.143278 3.945326 2.625801 3.658888 1.091838 4.663867 4.169678 2.992946 4.231954 3.149587 5.110763 4.978525 3.915100 6.384621 6.276604 6.876375 5.034080 3.861989 4.614586 3.789902 0.000000 9.070193 3.370128 2.061077 3.315640 3.914642 2.873967 2.200400 2.788206 2.679181 2.935525 1.090159 4.321010 3.331122 3.647671 4.802020 2.642646 5.984700 5.146783 4.143656 7.178309 6.489882 7.384488 3.836532 2.326973 4.026723 2.905445 1.769891 0.000000 9.571141 2.564440 4.564492 4.389126 6.035172 2.180114 2.811849 3.482267 3.565460 4.018737 4.207971 1.090484 2.732060 4.265841 5.421178 5.579960 6.135651 6.201066 5.338022 7.361237 7.417719 7.919885 3.715666 4.311946 4.172425 5.076360 4.847949 4.797806 0.000000 8.044413 2.959009 5.097535 5.297005 6.920136 2.200638 2.717604 2.776971 2.632497 2.796170 4.243575 1.092444 3.468507 3.279767 4.138939 6.161901 4.975594 4.704230 6.402459 6.071750 5.851211 6.439554 2.924403 3.831722 2.614741 3.887718 4.768514 4.599578 1.757804 0.000000 9.644324 3.879473 5.288419 5.480838 6.698186 2.169257 3.478848 2.780362 3.873421 3.617170 4.791655 1.093748 2.727096 4.835063 5.783518 6.078725 6.720277 6.182880 6.317234 7.805797 7.346862 8.072372 2.488761 3.675494 3.566787 4.630657 5.601626 5.009174 1.775904 1.772366 0.000000 11.238632 4.186564 4.088074 4.382662 4.864804 2.160917 3.558450 2.873578 4.562301 4.307223 4.175960 2.658229 1.093865 5.782857 7.001429 4.411837 8.090922 7.395913 4.795938 9.308545 8.708351 9.572381 2.865219 3.049557 4.796110 5.040264 5.222464 4.253172 2.966160 3.689109 2.430144 0.000000 11.073571 3.820480 2.610286 3.248425 3.377105 2.196455 2.977413 2.765698 4.142802 4.059734 2.921249 3.468163 1.091012 5.377691 6.683156 2.722251 7.829181 7.092545 3.587725 9.094034 8.464161 9.363730 3.279055 2.428827 4.885893 4.534468 4.003616 2.883878 3.777332 4.346386 3.698775 1.758386 0.000000 11.169803 3.043359 2.928985 2.804752 3.727198 2.181699 2.870323 3.505705 4.269427 4.601852 3.353387 2.801228 1.092696 5.298562 6.690699 3.492275 7.619552 7.378020 3.286962 8.946470 8.741192 9.435709 3.962587 3.678507 5.253501 5.365658 4.279480 3.836514 2.592532 3.799046 3.167674 1.764565 1.769340 0.000000 9.598465 0.972530 2.481686 1.953735 4.135322 2.895713 1.954099 4.204502 3.236817 4.402724 2.445128 3.367836 3.221510 3.649482 5.088971 3.753905 5.702541 6.146677 3.205625 7.090888 7.455051 7.853888 5.055978 4.547499 5.080148 5.118440 2.686456 3.485636 2.953498 3.740305 4.351017 4.186622 3.646144 2.725594 0.000000 6.522857 2.358192 4.453766 4.638841 6.583866 3.953366 2.620732 4.429963 2.054201 3.504383 3.314855 4.150816 5.196138 1.086833 2.159770 5.743441 2.605814 3.455831 5.957135 3.991987 4.594184 4.797228 5.284838 4.995866 3.846951 4.003845 2.858962 3.965006 4.253226 3.645994 5.194884 6.044071 5.591622 5.252961 3.131087 0.000000 11.561694 4.968550 2.136121 3.231770 2.147644 4.411436 4.157906 4.579687 5.115805 5.278600 2.876662 5.905897 3.884540 6.077263 7.303349 1.079300 8.410517 7.672151 3.152074 9.638016 8.995393 9.889349 5.402407 3.785860 6.350111 5.226610 3.489504 2.540350 6.165371 6.527904 6.402061 4.683625 2.927159 4.136378 4.586225 6.176287 0.000000 4.866488 4.505185 6.760442 6.868719 8.865731 6.015867 4.876542 6.300056 3.958462 5.079863 5.601120 5.846234 7.370693 2.645698 2.154591 8.038477 1.084659 3.388807 8.178334 2.136703 3.862689 3.376293 6.979161 6.975528 5.001118 5.450167 5.020406 6.135908 5.930380 5.034091 6.785528 8.109727 7.848625 7.431812 5.272893 2.331019 8.431654 0.000000 4.854807 5.289291 6.342880 7.198408 8.442666 4.920943 4.422525 4.067611 2.930432 2.551417 4.888963 5.284344 6.340920 2.802104 2.163579 7.223242 3.392532 1.079892 8.364630 3.867317 2.125764 3.370903 4.522313 4.486160 2.348102 2.167287 4.791008 4.598340 6.084894 4.579824 5.837416 6.854272 6.505357 7.013260 6.124459 3.843349 7.077865 4.297524 0.000000 13.083163 4.672438 3.138436 2.103855 2.151776 5.451296 5.051220 6.632115 6.515611 7.346914 4.488810 6.262687 4.620264 7.124069 8.567312 3.137588 9.224248 9.501053 1.078992 10.604192 10.847406 11.338989 7.399751 6.442759 8.231483 7.823280 4.827962 5.194692 5.774002 7.025770 6.887618 5.403074 4.420677 3.814841 3.723305 6.625474 4.165515 8.757989 9.293043 0.000000 2.866695 6.895072 9.028699 9.268250 11.172516 8.061439 7.070892 8.030140 5.874020 6.611112 7.755159 7.806922 9.517466 4.617621 3.426202 10.247068 2.154739 3.870493 10.575427 1.082514 3.398225 2.149619 8.558044 8.709566 6.265227 6.763100 7.155632 8.092087 8.035236 6.843523 8.602512 10.164759 9.977031 9.708611 7.707105 4.660147 10.504913 2.468864 4.949716 11.196271 0.000000 2.862507 7.414438 8.706439 9.499660 10.825837 7.264910 6.750285 6.415888 5.222363 4.928263 7.244248 7.378127 8.728105 4.695320 3.421051 9.607817 3.860648 2.153750 10.704779 3.397180 1.082649 2.147338 6.693607 6.867272 4.432049 4.544266 6.984369 6.986862 8.131679 6.499427 7.859167 9.178065 8.943905 9.374972 8.296234 5.558502 9.441440 4.945240 2.451029 11.603487 4.287663 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6927814 0.1002895 0.0959571 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= 612 RedAO= T EigKep= 1.02D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 6.25D-07 NBFU= 609 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= 619 619 619 619 619 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82061502461 -1359.82061502 1 1.354832463381e+03 -6.953402670692e+03 2.354598729165e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 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 4.5356 273.36 0.6279 0.000 83 85 0.13295 84 85 0.62860 84 86 0.27004 -1359.65393568 2 Singlet-A 4.6391 267.26 0.1993 0.000 83 85 0.29985 84 85 -0.29994 84 86 0.55933 3 Singlet-A 5.0000 247.97 0.0131 0.000 84 87 0.69703 4 Singlet-A 5.2512 236.11 0.0008 0.000 84 88 0.66902 84 89 0.18154 5 Singlet-A 5.3729 230.76 0.0055 0.000 82 85 0.67963 6 Singlet-A 5.5514 223.34 0.0013 0.000 84 88 -0.16207 84 89 0.63222 84 91 0.17401 84 93 -0.10760 7 Singlet-A 5.6120 220.93 0.0759 0.000 80 86 -0.16893 82 86 0.18210 83 85 0.56067 84 86 -0.30057 8 Singlet-A 5.7664 215.01 0.0067 0.000 80 85 -0.34464 84 90 0.44374 84 91 0.26302 84 92 -0.27254 84 94 0.10239 9 Singlet-A 5.8394 212.32 0.0188 0.000 81 85 0.66578 82 85 -0.10862 10 Singlet-A 5.8745 211.06 0.0020 0.000 80 85 -0.33633 84 89 0.18551 84 91 -0.21664 84 92 0.22195 84 93 0.44826 84 94 0.12116 PT40812.500S Sun Aug 15 06:19:14 2021 GINC-BELVIS19 PAULAPLA 15-Aug-2021 0 Electronic spectrum triticonazole_Z CONF19 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.820615 RMSD=3.315e-09 PG=C01 [X(C17H20Cl1N3O1)] 0 6.5928164664 1.7811160718 0.0983142091 0 -1.6523653083 -0.6074263364 1.59160749 0 -3.074690122 -2.2419770053 -0.4383337374 0 -3.5342665015 -2.5232820645 0.8075499721 0 -4.9715776 -3.3037482792 -0.7472460525 0 -2.5700136454 0.9547561243 -0.1367316557 0 -1.6229156655 -0.2504675194 0.222253566 0 -1.9524326787 1.4615144998 -1.4582077406 0 -0.2479035539 0.2985352136 -0.1664102894 0 -0.4229003446 1.2834082606 -1.3027975249 0 -1.811002604 -1.5339019765 -0.6393958571 0 -2.4139264291 2.0261584338 0.9617124599 0 -4.0577344336 0.6175032652 -0.2791764406 0 0.8541216247 -0.0335089026 0.5185806365 0 2.2375516016 0.4227224482 0.3512443002 0 -3.9472872458 -2.7207362076 -1.3475009845 0 3.1362190928 0.208786244 1.412956535 0 2.7392222116 1.0556493736 -0.8002275014 0 -4.6745882582 -3.1543503934 0.5687628851 0 4.4614595311 0.6210186054 1.348702279 0 4.0647162913 1.47015785 -0.8814890039 0 4.9170536741 1.2549810546 0.1966604051 0 -2.2336738529 2.4968280384 -1.6628877194 0 -2.323956408 0.8654100895 -2.2981774032 0 0.0723337507 2.2278502107 -1.0565103398 0 0.032412451 0.9304034165 -2.233637205 0 -0.9947366599 -2.2099775384 -0.3772070451 0 -1.7425917635 -1.3079259452 -1.7036801587 0 -2.8040696152 1.6612786643 1.9123998597 0 -1.3690263234 2.3006103136 1.1238693801 0 -2.965781961 2.9264219159 0.6766418808 0 -4.6311833402 1.5381516172 -0.4209662708 0 -4.262425773 -0.0250055541 -1.1368428487 0 -4.4411833933 0.1239571273 0.6171294578 0 -2.3667567035 -1.2536587959 1.7251870721 0 0.6931858317 -0.6964872644 1.3646099023 0 -3.8000099969 -2.6189945684 -2.4118535723 0 2.7833048364 -0.2858805341 2.3114222536 0 2.1026697937 1.2133091765 -1.6581970109 0 -5.3025836612 -3.5156434281 1.3683327657 0 5.1353125331 0.4529227117 2.1790653135 0 4.436744824 1.9519339528 -1.7768191227 Gaussian 16 15-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF19/op #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 triticonazole_Z CONF19 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1178 A 1046 A 1046 1513 1178 84 84 1884.2009823105 42 42 42 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 -0.0501191883 0.000000 8.713098 0.000000 10.484939 2.969078 0.000000 11.026725 2.797642 1.357413 0.000000 12.661202 4.874173 2.195670 2.256631 0.000000 9.203020 2.503927 3.250348 3.730711 4.926976 0.000000 8.464098 1.415421 2.551497 3.026800 4.634219 1.574303 0.000000 8.691731 3.697557 4.001931 4.849171 5.685810 1.544186 2.421449 0.000000 7.004540 2.425676 3.810363 4.439756 5.968828 2.413235 1.530726 2.434478 0.000000 7.171549 3.669390 4.495290 5.350239 6.483911 2.465323 2.473579 1.547690 1.513927 0.000000 9.064090 2.420929 1.462430 2.458081 3.623979 2.649941 1.557248 3.108533 2.454551 3.210010 0.000000 9.051349 2.812919 4.540233 4.687893 6.153863 1.542351 2.521016 2.527412 2.991488 3.105458 3.949822 0.000000 10.720575 3.284218 3.027926 3.364450 4.053444 1.532104 2.633087 2.556319 3.824823 3.834482 3.131470 2.495239 0.000000 6.033416 2.786260 4.607448 5.053753 6.799673 3.623645 2.504116 3.744267 1.339375 2.585048 3.270317 3.888282 5.018622 0.000000 4.569195 4.210839 5.995329 6.496233 8.189311 4.861467 3.920846 4.680724 2.541825 3.248790 4.604404 4.957815 6.329771 1.466297 0.000000 11.552093 4.286153 1.348043 2.203138 1.322641 4.107565 3.737521 4.634967 4.918985 5.334461 2.544347 5.496969 3.506759 5.810076 7.142780 0.000000 4.018528 4.860932 6.928846 7.233678 9.096194 5.959790 4.927276 5.975558 3.735604 4.604070 5.632416 5.857523 7.401576 2.463044 1.407340 8.147287 0.000000 4.022918 5.269984 6.693794 7.399349 8.857968 5.351485 4.666868 4.754923 3.146087 3.209902 5.237957 5.531841 6.830965 2.545413 1.406470 7.698702 2.402700 0.000000 12.309937 4.082507 2.099129 1.324991 1.357351 4.670301 4.226738 5.729306 5.662017 6.424429 3.505085 5.665922 3.914893 6.348921 7.785913 2.095007 8.545880 8.634976 0.000000 2.729831 6.240748 8.257348 8.608781 10.429716 7.194408 6.248840 7.051467 4.957586 5.596980 6.923872 7.028166 8.673331 3.759042 2.445406 9.441603 1.389362 2.787993 9.916102 0.000000 2.729102 6.566398 8.058998 8.748997 10.220705 6.696263 6.043836 6.044730 4.525785 4.511217 6.603564 6.758649 8.189262 3.811709 2.440345 9.053892 2.778065 1.391170 9.993235 2.419131 0.000000 1.759168 6.969340 8.746422 9.277568 10.929684 7.500497 6.711053 7.069023 5.265301 5.546557 7.331003 7.411025 9.009973 4.274489 2.810032 9.837037 2.396930 2.403428 10.563156 1.391645 1.391110 0.000000 9.028898 4.534981 4.966197 5.744224 6.479290 2.195510 3.387391 1.092183 3.318918 2.209288 4.180068 2.672554 2.962046 4.549274 5.324519 5.500811 6.597856 5.248893 6.547835 7.577146 6.429180 7.492196 0.000000 9.278498 4.213159 3.698442 4.753275 5.176598 2.177240 2.844154 1.094952 3.029154 2.186211 2.961651 3.461548 2.672790 4.340779 5.293653 4.049621 6.634545 5.283543 5.468390 7.707226 6.571747 7.668651 1.753074 0.000000 6.637009 4.245693 5.501387 6.249444 7.492347 3.073884 3.263612 2.201888 2.148741 1.094479 4.227496 3.208643 4.500548 2.864585 3.150941 6.382048 4.422927 2.924385 7.358184 5.256556 4.067413 5.097864 2.399524 3.023274 0.000000 7.014315 4.453750 4.789697 5.822196 6.721407 3.342189 3.188411 2.196128 2.179739 1.094708 3.465918 4.170793 4.543911 3.029692 3.435403 5.473031 4.842726 3.065480 6.833339 5.704852 4.287087 5.465475 2.813288 2.358148 1.752310 0.000000 8.586379 2.622380 2.081098 2.819755 4.141078 3.543285 2.143278 3.945326 2.625801 3.658888 1.091838 4.663867 4.169678 2.992946 4.231954 3.149587 5.110763 4.978525 3.915100 6.384621 6.276604 6.876375 5.034080 3.861989 4.614586 3.789902 0.000000 9.070193 3.370128 2.061077 3.315640 3.914642 2.873967 2.200400 2.788206 2.679181 2.935525 1.090159 4.321010 3.331122 3.647671 4.802020 2.642646 5.984700 5.146783 4.143656 7.178309 6.489882 7.384488 3.836532 2.326973 4.026723 2.905445 1.769891 0.000000 9.571141 2.564440 4.564492 4.389126 6.035172 2.180114 2.811849 3.482267 3.565460 4.018737 4.207971 1.090484 2.732060 4.265841 5.421178 5.579960 6.135651 6.201066 5.338022 7.361237 7.417719 7.919885 3.715666 4.311946 4.172425 5.076360 4.847949 4.797806 0.000000 8.044413 2.959009 5.097535 5.297005 6.920136 2.200638 2.717604 2.776971 2.632497 2.796170 4.243575 1.092444 3.468507 3.279767 4.138939 6.161901 4.975594 4.704230 6.402459 6.071750 5.851211 6.439554 2.924403 3.831722 2.614741 3.887718 4.768514 4.599578 1.757804 0.000000 9.644324 3.879473 5.288419 5.480838 6.698186 2.169257 3.478848 2.780362 3.873421 3.617170 4.791655 1.093748 2.727096 4.835063 5.783518 6.078725 6.720277 6.182880 6.317234 7.805797 7.346862 8.072372 2.488761 3.675494 3.566787 4.630657 5.601626 5.009174 1.775904 1.772366 0.000000 11.238632 4.186564 4.088074 4.382662 4.864804 2.160917 3.558450 2.873578 4.562301 4.307223 4.175960 2.658229 1.093865 5.782857 7.001429 4.411837 8.090922 7.395913 4.795938 9.308545 8.708351 9.572381 2.865219 3.049557 4.796110 5.040264 5.222464 4.253172 2.966160 3.689109 2.430144 0.000000 11.073571 3.820480 2.610286 3.248425 3.377105 2.196455 2.977413 2.765698 4.142802 4.059734 2.921249 3.468163 1.091012 5.377691 6.683156 2.722251 7.829181 7.092545 3.587725 9.094034 8.464161 9.363730 3.279055 2.428827 4.885893 4.534468 4.003616 2.883878 3.777332 4.346386 3.698775 1.758386 0.000000 11.169803 3.043359 2.928985 2.804752 3.727198 2.181699 2.870323 3.505705 4.269427 4.601852 3.353387 2.801228 1.092696 5.298562 6.690699 3.492275 7.619552 7.378020 3.286962 8.946470 8.741192 9.435709 3.962587 3.678507 5.253501 5.365658 4.279480 3.836514 2.592532 3.799046 3.167674 1.764565 1.769340 0.000000 9.598465 0.972530 2.481686 1.953735 4.135322 2.895713 1.954099 4.204502 3.236817 4.402724 2.445128 3.367836 3.221510 3.649482 5.088971 3.753905 5.702541 6.146677 3.205625 7.090888 7.455051 7.853888 5.055978 4.547499 5.080148 5.118440 2.686456 3.485636 2.953498 3.740305 4.351017 4.186622 3.646144 2.725594 0.000000 6.522857 2.358192 4.453766 4.638841 6.583866 3.953366 2.620732 4.429963 2.054201 3.504383 3.314855 4.150816 5.196138 1.086833 2.159770 5.743441 2.605814 3.455831 5.957135 3.991987 4.594184 4.797228 5.284838 4.995866 3.846951 4.003845 2.858962 3.965006 4.253226 3.645994 5.194884 6.044071 5.591622 5.252961 3.131087 0.000000 11.561694 4.968550 2.136121 3.231770 2.147644 4.411436 4.157906 4.579687 5.115805 5.278600 2.876662 5.905897 3.884540 6.077263 7.303349 1.079300 8.410517 7.672151 3.152074 9.638016 8.995393 9.889349 5.402407 3.785860 6.350111 5.226610 3.489504 2.540350 6.165371 6.527904 6.402061 4.683625 2.927159 4.136378 4.586225 6.176287 0.000000 4.866488 4.505185 6.760442 6.868719 8.865731 6.015867 4.876542 6.300056 3.958462 5.079863 5.601120 5.846234 7.370693 2.645698 2.154591 8.038477 1.084659 3.388807 8.178334 2.136703 3.862689 3.376293 6.979161 6.975528 5.001118 5.450167 5.020406 6.135908 5.930380 5.034091 6.785528 8.109727 7.848625 7.431812 5.272893 2.331019 8.431654 0.000000 4.854807 5.289291 6.342880 7.198408 8.442666 4.920943 4.422525 4.067611 2.930432 2.551417 4.888963 5.284344 6.340920 2.802104 2.163579 7.223242 3.392532 1.079892 8.364630 3.867317 2.125764 3.370903 4.522313 4.486160 2.348102 2.167287 4.791008 4.598340 6.084894 4.579824 5.837416 6.854272 6.505357 7.013260 6.124459 3.843349 7.077865 4.297524 0.000000 13.083163 4.672438 3.138436 2.103855 2.151776 5.451296 5.051220 6.632115 6.515611 7.346914 4.488810 6.262687 4.620264 7.124069 8.567312 3.137588 9.224248 9.501053 1.078992 10.604192 10.847406 11.338989 7.399751 6.442759 8.231483 7.823280 4.827962 5.194692 5.774002 7.025770 6.887618 5.403074 4.420677 3.814841 3.723305 6.625474 4.165515 8.757989 9.293043 0.000000 2.866695 6.895072 9.028699 9.268250 11.172516 8.061439 7.070892 8.030140 5.874020 6.611112 7.755159 7.806922 9.517466 4.617621 3.426202 10.247068 2.154739 3.870493 10.575427 1.082514 3.398225 2.149619 8.558044 8.709566 6.265227 6.763100 7.155632 8.092087 8.035236 6.843523 8.602512 10.164759 9.977031 9.708611 7.707105 4.660147 10.504913 2.468864 4.949716 11.196271 0.000000 2.862507 7.414438 8.706439 9.499660 10.825837 7.264910 6.750285 6.415888 5.222363 4.928263 7.244248 7.378127 8.728105 4.695320 3.421051 9.607817 3.860648 2.153750 10.704779 3.397180 1.082649 2.147338 6.693607 6.867272 4.432049 4.544266 6.984369 6.986862 8.131679 6.499427 7.859167 9.178065 8.943905 9.374972 8.296234 5.558502 9.441440 4.945240 2.451029 11.603487 4.287663 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6927814 0.1002895 0.0959571 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= 1046 RedAO= T EigKep= 1.21D-06 NBF= 1046 NBsUse= 1041 1.00D-06 EigRej= 9.51D-07 NBFU= 1041 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= 1140 1140 1140 1140 1140 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82612297041 -1359.88534344618 -0.059220475770 -1359.88519472940 0.000148716788 -1359.88566141902 -0.000466689625 -1359.88569513409 -0.000033715065 -1359.88570183331 -0.000006699225 -1359.88570256668 -0.000000733369 -1359.88570261130 -0.000000044623 -1359.88570262278 -0.000000011478 -1359.88570262351 -0.000000000725 -1359.88570262344 0.000000000062 -1359.88570262358 -0.000000000139 -1359.88570262 12 1.354534541528e+03 -6.953487797845e+03 2.354916690572e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3772068531 LenY= 3770679669 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. PT37943.700S Sun Aug 15 06:58:48 2021 GINC-BELVIS19 PAULAPLA 15-Aug-2021 0 Single Point triticonazole_Z CONF19 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.8857026 RMSD=5.564e-09 Dipole=-0.4070802,0.1542553,-0.828981 Quadrupole=-11.8864923,1.4210261,10.4654662,-8.1512721,0.4256697,-2.9184332 PG=C01 [X(C17H20Cl1N3O1)] 0 6.5928164664 1.7811160718 0.0983142091 0 -1.6523653083 -0.6074263364 1.59160749 0 -3.074690122 -2.2419770053 -0.4383337374 0 -3.5342665015 -2.5232820645 0.8075499721 0 -4.9715776 -3.3037482792 -0.7472460525 0 -2.5700136454 0.9547561243 -0.1367316557 0 -1.6229156655 -0.2504675194 0.222253566 0 -1.9524326787 1.4615144998 -1.4582077406 0 -0.2479035539 0.2985352136 -0.1664102894 0 -0.4229003446 1.2834082606 -1.3027975249 0 -1.811002604 -1.5339019765 -0.6393958571 0 -2.4139264291 2.0261584338 0.9617124599 0 -4.0577344336 0.6175032652 -0.2791764406 0 0.8541216247 -0.0335089026 0.5185806365 0 2.2375516016 0.4227224482 0.3512443002 0 -3.9472872458 -2.7207362076 -1.3475009845 0 3.1362190928 0.208786244 1.412956535 0 2.7392222116 1.0556493736 -0.8002275014 0 -4.6745882582 -3.1543503934 0.5687628851 0 4.4614595311 0.6210186054 1.348702279 0 4.0647162913 1.47015785 -0.8814890039 0 4.9170536741 1.2549810546 0.1966604051 0 -2.2336738529 2.4968280384 -1.6628877194 0 -2.323956408 0.8654100895 -2.2981774032 0 0.0723337507 2.2278502107 -1.0565103398 0 0.032412451 0.9304034165 -2.233637205 0 -0.9947366599 -2.2099775384 -0.3772070451 0 -1.7425917635 -1.3079259452 -1.7036801587 0 -2.8040696152 1.6612786643 1.9123998597 0 -1.3690263234 2.3006103136 1.1238693801 0 -2.965781961 2.9264219159 0.6766418808 0 -4.6311833402 1.5381516172 -0.4209662708 0 -4.262425773 -0.0250055541 -1.1368428487 0 -4.4411833933 0.1239571273 0.6171294578 0 -2.3667567035 -1.2536587959 1.7251870721 0 0.6931858317 -0.6964872644 1.3646099023 0 -3.8000099969 -2.6189945684 -2.4118535723 0 2.7833048364 -0.2858805341 2.3114222536 0 2.1026697937 1.2133091765 -1.6581970109 0 -5.3025836612 -3.5156434281 1.3683327657 0 5.1353125331 0.4529227117 2.1790653135 0 4.436744824 1.9519339528 -1.7768191227