Gaussian 16 GINC-BELVIS20 PAULAPLA Optimization triticonazole_Z CONF3 gas EM64L-G16RevC.01 14-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-2609354/Gau-3239.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2609354/" chk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF3/opt-b3 #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 CONF3 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 1.728 1.3933 0.9675 1.3383 1.4421 1.3365 1.3138 1.3115 1.3449 1.5532 1.5336 1.5325 1.5239 1.527 1.5515 1.5318 1.0911 1.094 1.5069 1.334 1.0928 1.0932 1.0894 1.0907 1.0909 1.0918 1.0884 1.0913 1.0912 1.0917 1.4643 1.0867 1.3979 1.396 1.0788 1.3829 1.0833 1.3849 1.0798 1.0787 1.3858 1.0811 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 21 110.1777 120.2146 109.3093 129.9745 102.9656 102.7408 102.1442 109.0328 114.3798 109.7589 112.7161 108.6154 109.9728 115.3918 109.7643 103.0388 110.3225 108.1367 104.8749 111.9026 110.7582 112.4995 110.8012 106.1083 108.9699 122.5559 128.4171 105.0101 109.4638 113.2925 110.1998 112.7847 106.1164 111.9093 107.3239 107.8937 111.5203 110.0273 108.0013 112.8754 109.6055 111.3783 107.7906 107.1159 107.8801 111.183 110.1227 113.0097 107.346 108.2441 106.6784 128.7827 117.5344 113.6027 117.8369 124.6135 117.5492 110.4111 123.1713 126.4176 121.7573 119.3059 118.9184 121.3383 120.422 118.2204 114.56 121.789 123.6504 119.2625 120.3761 120.3613 119.6471 120.2165 120.1353 119.801 119.763 120.4356 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 20 157.0614 -86.9479 35.511 -173.6406 -0.9818 65.6925 -171.6492 -55.4886 -105.2538 17.4044 133.5651 1.2397 -178.7797 172.9553 -7.0641 0.4395 -179.2795 -0.8985 179.1216 0.2747 179.9878 160.2038 36.666 -78.5797 44.0979 -79.4398 165.3144 -77.7098 158.7525 43.5067 -39.3306 -161.5753 80.2484 76.2474 -45.9972 -164.1736 -162.5485 75.2068 -42.9696 50.6944 170.8473 -69.849 -60.4289 59.724 179.0277 175.9312 -63.9158 55.3878 55.6827 174.5331 -66.2789 171.7939 -69.3557 49.8323 -66.3534 52.497 171.685 -141.1011 41.4334 -21.2314 161.3031 95.5758 -81.8898 -64.8698 174.8921 55.0698 173.7897 53.5516 -66.2707 61.7975 -58.4406 -178.2629 26.4296 -91.8596 149.9315 148.2852 29.996 -88.2129 -93.1205 148.5903 30.3814 -2.8852 114.9057 -126.7113 174.3883 -67.8208 50.5621 172.8305 -3.678 -4.11 179.3815 -150.3764 29.3714 26.245 -154.0072 178.5942 0.1731 -1.1717 -179.5928 -179.0156 2.6133 0.7329 -177.6383 0.7484 -179.2305 179.1754 -0.8034 0.1152 -179.5039 178.5211 -1.098 179.9 0.1446 -0.1211 -179.8765 179.6761 -0.5685 -0.7045 179.0509 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1958.3466784761 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= 608 1.00D-06 EigRej= 9.92D-07 NBFU= 608 Berny optimization. local minimum Step number 17 out of a maximum of 251 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00058 0.00332 0.00425 0.00455 0.00683 0.00844 0.00898 0.01133 0.01474 0.01869 0.02029 0.02160 0.02178 0.02225 0.02235 0.02263 0.02284 0.02287 0.02288 0.02299 0.02619 0.02627 0.02778 0.02961 0.03243 0.04346 0.04576 0.04839 0.05107 0.05244 0.05360 0.05428 0.05446 0.05649 0.05711 0.05906 0.05988 0.06278 0.06506 0.07112 0.07247 0.07494 0.08445 0.09619 0.09943 0.10322 0.11174 0.13164 0.15156 0.15519 0.15815 0.15972 0.15976 0.15997 0.16000 0.16004 0.16007 0.16014 0.16018 0.16045 0.16054 0.16190 0.17003 0.17813 0.20208 0.20413 0.21970 0.22795 0.23228 0.24163 0.24661 0.24999 0.25287 0.26427 0.27544 0.27672 0.28426 0.28686 0.29224 0.29725 0.30198 0.31368 0.31971 0.34196 0.34409 0.34436 0.34564 0.34635 0.34660 0.34678 0.34685 0.34727 0.34737 0.34910 0.34992 0.35140 0.35211 0.35630 0.35832 0.35851 0.36138 0.36226 0.36335 0.37617 0.41048 0.41871 0.43043 0.44049 0.46930 0.47465 0.48129 0.48315 0.49712 0.50406 0.53533 0.55100 0.57123 0.59876 0.60634 0.66879 -2.45353749e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 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 3.32488 2.67748 1.83414 2.57089 2.75028 2.54766 2.50500 2.50053 2.56557 2.95978 2.91810 2.91431 2.89538 2.90234 2.94798 2.91419 2.06405 2.06957 2.86213 2.53114 2.06851 2.06837 2.05889 2.05939 2.06406 2.06709 2.05994 2.06636 2.06656 2.06638 2.77295 2.05412 2.65877 2.65635 2.03860 2.62559 2.04935 2.62909 2.04091 2.03942 2.62969 2.04556 2.62895 2.04588 1.91002 2.09798 1.90465 2.27151 1.79420 1.79520 1.77975 1.89549 1.99485 1.92275 1.96966 1.89792 1.91339 2.00655 1.89698 1.80350 1.93591 1.90643 1.83328 1.95029 1.92415 1.96644 1.92913 1.86179 1.90113 2.12820 2.25325 1.83488 1.91623 1.97479 1.91806 1.96330 1.85717 1.95611 1.87184 1.87972 1.94364 1.90608 1.90468 1.95801 1.91201 1.92905 1.89186 1.87192 1.89954 1.93104 1.91918 1.96596 1.88069 1.89481 1.86922 2.26920 2.03096 1.98214 2.05587 2.17715 2.05016 1.92926 2.14531 2.20862 2.12602 2.08043 2.07652 2.11809 2.10145 2.06337 2.00125 2.12443 2.15748 2.07821 2.10772 2.09726 2.08529 2.10407 2.09381 2.08784 2.08688 2.10846 2.75540 -1.50569 0.63678 -3.02762 -0.01608 1.13039 -3.01450 -0.96651 -1.85021 0.28809 2.33608 0.02161 -3.12062 3.01605 -0.12619 0.00590 -3.12857 -0.01673 3.12553 0.00654 3.14086 2.77857 0.63129 -1.40960 0.74861 -1.39867 2.84363 -1.37366 2.76224 0.72136 -0.67842 -2.81585 1.40007 1.33165 -0.80579 -2.87305 -2.82657 1.31918 -0.74808 0.90297 3.00486 -1.18533 -1.03265 1.06924 -3.12094 3.08353 -1.09777 0.99523 0.96820 3.04366 -1.15617 2.99153 -1.21619 0.86717 -1.15273 0.92273 3.00609 -2.44821 0.72729 -0.36397 2.81152 1.69758 -1.41010 -1.13893 3.04728 0.94254 3.03948 0.94251 -1.16223 1.06282 -1.03415 -3.13889 0.46018 -1.60216 2.60919 2.58713 0.52479 -1.54704 -1.61497 2.60588 0.53404 -0.05344 2.00766 -2.20980 3.05107 -1.17101 0.89471 3.04826 -0.04470 -0.05200 3.13823 -2.75566 0.38300 0.33840 -2.80613 3.12232 0.00318 -0.01655 -3.13570 -3.13106 0.03625 0.00760 -3.10827 0.01234 -3.12915 3.13153 -0.00996 0.00528 -3.13182 3.12170 -0.01540 3.13893 0.00123 -0.00277 -3.14047 3.13560 -0.00988 -0.01045 3.12725 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 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 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 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 0.00001 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 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 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 -0.00000 -0.00000 -0.00000 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 0.00001 0.00000 -0.00003 0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00002 0.00004 0.00003 0.00001 0.00004 -0.00004 -0.00003 0.00002 -0.00000 0.00001 -0.00002 -0.00005 0.00005 0.00003 -0.00001 -0.00001 0.00003 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00003 -0.00001 -0.00002 -0.00000 0.00002 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00000 0.00002 -0.00004 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00008 0.00002 0.00006 0.00002 -0.00004 0.00002 0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00002 -0.00002 0.00002 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00040 -0.00040 -0.00041 0.00007 0.00018 0.00024 0.00025 0.00021 0.00011 0.00013 0.00008 -0.00024 -0.00001 -0.00013 0.00010 -0.00006 -0.00008 0.00019 -0.00005 -0.00007 -0.00006 -0.00021 -0.00016 -0.00016 -0.00023 -0.00019 -0.00019 -0.00019 -0.00015 -0.00015 0.00014 0.00012 0.00014 0.00012 0.00011 0.00013 0.00015 0.00013 0.00015 0.00011 0.00011 0.00011 0.00007 0.00007 0.00007 0.00005 0.00006 0.00006 -0.00002 -0.00002 -0.00001 0.00002 0.00002 0.00003 0.00005 0.00005 0.00005 0.00015 0.00013 0.00012 0.00011 0.00012 0.00011 0.00009 0.00007 0.00011 0.00008 0.00006 0.00010 0.00005 0.00003 0.00008 -0.00007 -0.00008 -0.00008 -0.00006 -0.00007 -0.00007 -0.00008 -0.00009 -0.00009 -0.00004 -0.00002 -0.00003 -0.00002 0.00000 -0.00001 -0.00008 -0.00005 -0.00010 -0.00007 0.00018 0.00014 0.00016 0.00012 -0.00002 -0.00002 0.00001 0.00002 0.00002 0.00001 -0.00001 -0.00003 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00002 0.00002 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00002 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00003 0.00002 -0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00002 0.00004 0.00003 0.00001 0.00004 -0.00004 -0.00003 0.00002 -0.00000 0.00001 -0.00001 -0.00005 0.00005 0.00003 -0.00001 -0.00001 0.00003 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00003 -0.00001 -0.00002 -0.00000 0.00002 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00000 0.00002 -0.00004 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00008 0.00002 0.00006 0.00002 -0.00004 0.00002 0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00002 -0.00002 0.00002 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00041 -0.00041 -0.00042 0.00007 0.00017 0.00024 0.00025 0.00021 0.00012 0.00013 0.00009 -0.00024 -0.00001 -0.00013 0.00010 -0.00006 -0.00007 0.00018 -0.00005 -0.00007 -0.00006 -0.00021 -0.00016 -0.00016 -0.00023 -0.00019 -0.00019 -0.00020 -0.00015 -0.00015 0.00014 0.00012 0.00014 0.00012 0.00011 0.00013 0.00014 0.00013 0.00015 0.00010 0.00011 0.00011 0.00006 0.00007 0.00007 0.00005 0.00006 0.00006 -0.00002 -0.00001 -0.00001 0.00002 0.00002 0.00003 0.00005 0.00005 0.00005 0.00015 0.00013 0.00013 0.00011 0.00012 0.00011 0.00009 0.00007 0.00011 0.00008 0.00006 0.00010 0.00006 0.00003 0.00008 -0.00007 -0.00008 -0.00008 -0.00005 -0.00007 -0.00006 -0.00007 -0.00009 -0.00009 -0.00004 -0.00002 -0.00003 -0.00003 -0.00001 -0.00002 -0.00008 -0.00006 -0.00010 -0.00007 0.00019 0.00015 0.00017 0.00013 -0.00002 -0.00002 0.00001 0.00002 0.00002 0.00001 -0.00001 -0.00003 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00002 0.00002 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 3.32487 2.67750 1.83415 2.57088 2.75027 2.54765 2.50500 2.50053 2.56557 2.95975 2.91812 2.91430 2.89537 2.90233 2.94798 2.91419 2.06406 2.06957 2.86213 2.53113 2.06851 2.06837 2.05889 2.05940 2.06406 2.06709 2.05995 2.06636 2.06656 2.06638 2.77295 2.05413 2.65877 2.65634 2.03860 2.62559 2.04935 2.62910 2.04092 2.03941 2.62969 2.04556 2.62896 2.04588 1.91002 2.09797 1.90463 2.27155 1.79423 1.79520 1.77979 1.89545 1.99482 1.92276 1.96966 1.89793 1.91338 2.00650 1.89703 1.80353 1.93590 1.90642 1.83330 1.95029 1.92415 1.96644 1.92912 1.86178 1.90116 2.12819 2.25324 1.83488 1.91624 1.97479 1.91806 1.96330 1.85716 1.95613 1.87185 1.87973 1.94364 1.90610 1.90464 1.95802 1.91202 1.92905 1.89186 1.87191 1.89954 1.93104 1.91919 1.96596 1.88069 1.89480 1.86922 2.26912 2.03098 1.98220 2.05589 2.17711 2.05018 1.92927 2.14531 2.20861 2.12601 2.08044 2.07652 2.11808 2.10144 2.06339 2.00122 2.12445 2.15749 2.07822 2.10771 2.09726 2.08529 2.10407 2.09381 2.08784 2.08688 2.10846 2.75499 -1.50610 0.63636 -3.02754 -0.01590 1.13063 -3.01425 -0.96630 -1.85010 0.28822 2.33616 0.02138 -3.12064 3.01592 -0.12609 0.00584 -3.12864 -0.01655 3.12548 0.00647 3.14080 2.77836 0.63113 -1.40976 0.74838 -1.39886 2.84344 -1.37386 2.76209 0.72121 -0.67828 -2.81573 1.40021 1.33177 -0.80568 -2.87292 -2.82642 1.31931 -0.74793 0.90307 3.00497 -1.18522 -1.03258 1.06931 -3.12087 3.08357 -1.09771 0.99529 0.96818 3.04365 -1.15618 2.99155 -1.21617 0.86719 -1.15269 0.92278 3.00614 -2.44806 0.72743 -0.36385 2.81164 1.69771 -1.40999 -1.13884 3.04735 0.94265 3.03956 0.94257 -1.16213 1.06288 -1.03411 -3.13881 0.46011 -1.60224 2.60912 2.58708 0.52473 -1.54710 -1.61504 2.60579 0.53396 -0.05349 2.00764 -2.20984 3.05104 -1.17102 0.89469 3.04818 -0.04475 -0.05209 3.13816 -2.75546 0.38316 0.33857 -2.80600 3.12230 0.00317 -0.01654 -3.13568 -3.13104 0.03626 0.00759 -3.10830 0.01233 -3.12915 3.13152 -0.00997 0.00529 -3.13182 3.12172 -0.01539 3.13893 0.00122 -0.00277 -3.14048 3.13560 -0.00987 -0.01045 3.12726 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000003 0.001346 0.000280 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.226722e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 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 1.7595 1.4169 0.9706 1.3605 1.4554 1.3482 1.3256 1.3232 1.3576 1.5662 1.5442 1.5422 1.5322 1.5359 1.56 1.5421 1.0923 1.0952 1.5146 1.3394 1.0946 1.0945 1.0895 1.0898 1.0923 1.0939 1.0901 1.0935 1.0936 1.0935 1.4674 1.087 1.407 1.4057 1.0788 1.3894 1.0845 1.3913 1.08 1.0792 1.3916 1.0825 1.3912 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 21 109.4363 120.2053 109.1282 130.1477 102.8 102.8571 101.9721 108.6034 114.2966 110.1652 112.8534 108.743 109.6292 114.9668 108.689 103.333 110.9192 109.2304 105.039 111.7435 110.2456 112.6689 110.5308 106.6727 108.9269 121.937 129.102 105.1311 109.7917 113.147 109.8967 112.4889 106.4081 112.077 107.2486 107.7002 111.3625 109.2106 109.1302 112.1859 109.5503 110.5266 108.3957 107.2528 108.8359 110.6405 109.961 112.641 107.7555 108.5644 107.0983 130.0153 116.3654 113.5685 117.7926 124.7415 117.4657 110.5385 122.9171 126.5444 121.8121 119.2 118.9757 121.3576 120.4041 118.2225 114.663 121.7209 123.6148 119.0728 120.7633 120.1639 119.4785 120.5544 119.9665 119.6242 119.5695 120.806 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 1 157.8726 -86.2697 36.4847 -173.4696 -0.9212 64.7665 -172.718 -55.3767 -106.0095 16.5061 133.8474 1.2383 -178.7985 172.8067 -7.23 0.3381 -179.2537 -0.9588 179.0796 0.3749 179.9579 159.2002 36.1703 -80.764 42.8922 -80.1378 162.9279 -78.7051 158.2649 41.3306 -38.8704 -161.3364 80.2182 76.2978 -46.1682 -164.6136 -161.9503 75.5837 -42.8618 51.7362 172.1655 -67.9142 -59.1663 61.263 -178.8167 176.673 -62.8976 57.0226 55.4738 174.3888 -66.2435 171.4022 -69.6827 49.685 -66.0466 52.8684 172.2361 -140.2718 41.6708 -20.8542 161.0884 97.2644 -80.7929 -65.2559 174.5964 54.0036 174.1496 54.002 -66.5909 60.8953 -59.2523 -179.8452 26.3664 -91.7969 149.4957 148.2318 30.0684 -88.6389 -92.5308 149.3059 30.5985 -3.0621 115.0304 -126.6124 174.8134 -67.0941 51.2631 174.6526 -2.561 -2.9792 179.8072 -157.8875 21.9444 19.3887 -160.7793 178.8958 0.1822 -0.9485 -179.6621 -179.3968 2.077 0.4356 -178.0906 0.7069 -179.2869 179.4233 -0.5706 0.3026 -179.4399 178.86 -0.8825 179.8473 0.0703 -0.1588 -179.9357 179.6569 -0.566 -0.599 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0529042938 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 8.922539 0.000000 8.274782 2.928625 0.000000 8.679942 2.853791 1.338324 0.000000 7.447002 4.670096 2.174614 2.236882 0.000000 9.223255 2.415024 3.833808 4.504631 5.843673 0.000000 8.395167 1.393320 2.481224 3.049476 4.399009 1.553241 0.000000 8.540979 3.631566 4.243912 5.218430 6.025592 1.533609 2.401407 0.000000 6.929868 2.469368 2.939342 3.632728 4.286365 2.411336 1.527012 2.410994 0.000000 7.031966 3.638940 4.050200 4.973564 5.419738 2.429932 2.469522 1.531822 1.506903 0.000000 8.812274 2.410521 1.442052 2.411030 3.581690 2.548282 1.551532 3.054797 2.492793 3.295796 0.000000 9.443629 2.735746 4.987503 5.400328 6.870432 1.532523 2.512710 2.507923 3.044681 3.038832 3.874466 0.000000 10.648940 3.151783 4.326428 4.946169 6.486101 1.523921 2.586314 2.545448 3.791239 3.803345 2.918671 2.482333 0.000000 5.986252 2.967366 3.060302 3.466344 3.733630 3.675962 2.510698 3.718373 1.333985 2.558995 3.226683 4.110571 5.013095 0.000000 4.524095 4.413429 4.179977 4.608354 4.238884 4.914172 3.913788 4.622490 2.524062 3.188888 4.510042 5.250237 6.314643 1.464335 0.000000 7.511520 4.088764 1.336538 2.181832 1.311483 4.801121 3.491312 4.851778 3.425291 4.384395 2.518392 5.973347 5.418826 3.234156 3.928908 0.000000 3.981356 5.235764 4.508550 4.736686 3.859619 6.086989 4.893069 5.869461 3.682721 4.492790 5.217026 6.500843 7.399502 2.451558 1.397906 3.962772 0.000000 3.985303 5.303337 5.325832 5.894303 5.519803 5.303843 4.661199 4.713093 3.144019 3.181701 5.406989 5.470258 6.777908 2.532858 1.395977 5.072977 2.389146 0.000000 8.180386 3.993565 2.075147 1.313816 1.344879 5.626691 4.116234 6.145148 4.323007 5.662384 3.453595 6.507630 6.179946 3.799837 4.597929 2.075249 4.334432 5.961511 0.000000 2.699343 6.594424 5.792133 6.049574 4.894093 7.307202 6.204573 6.924274 4.898555 5.469560 6.511280 7.671316 8.656905 3.741249 2.429272 5.084142 1.382871 2.772195 5.511909 0.000000 2.698305 6.647907 6.455015 6.999840 6.296879 6.665673 6.022953 5.971163 4.505042 4.449678 6.667891 6.813380 8.130417 3.793825 2.424384 5.998388 2.763413 1.384893 6.874227 2.404905 0.000000 1.727994 7.197718 6.645961 7.059763 6.025694 7.548787 6.677266 6.960012 5.224033 5.443695 7.137720 7.798905 8.972516 4.258532 2.796112 5.995646 2.388745 2.394630 6.677941 1.385758 1.385125 0.000000 9.025314 4.470324 5.331454 6.283370 7.105165 2.188773 3.374648 1.091061 3.332338 2.194546 4.105750 2.668633 2.944558 4.599510 5.370183 5.926706 6.684307 5.220878 7.227825 7.649589 6.403624 7.520545 0.000000 8.842386 4.139590 4.063372 5.201248 5.823472 2.176714 2.807144 1.094002 2.943687 2.175679 2.869728 3.452043 2.686512 4.180501 5.048328 4.556245 6.167712 5.221013 6.080910 7.201385 6.407305 7.297984 1.746312 0.000000 6.871771 4.096756 4.983777 5.770352 6.263470 2.932590 3.170466 2.157818 2.145251 1.092772 4.256834 2.989913 4.370136 2.948907 3.335363 5.329603 4.725140 2.973990 6.441930 5.577574 4.187497 5.349677 2.372941 3.020728 0.000000 6.482455 4.516284 4.283379 5.344790 5.350513 3.367577 3.275690 2.205905 2.177585 1.093229 3.723486 4.114835 4.595501 2.895349 3.126860 4.295421 4.309411 2.954940 5.846440 5.112947 4.032406 4.990067 2.762865 2.411891 1.747154 0.000000 8.719280 3.355780 2.049853 3.279085 3.902030 2.756408 2.198661 2.723659 2.735204 3.075532 1.089401 4.233814 3.077237 3.589340 4.666787 2.643660 5.418495 5.387233 4.114069 6.603212 6.581017 7.106258 3.738424 2.192722 4.138821 3.252987 0.000000 9.886071 2.640565 2.058075 2.657145 4.178037 2.836226 2.180821 3.630524 3.448275 4.186680 1.090704 4.123004 2.638039 4.208347 5.549070 3.246427 6.221334 6.460434 3.834996 7.537957 7.740281 8.206606 4.574914 3.385618 5.099483 4.690188 1.763757 0.000000 8.582906 2.892342 5.126019 5.495831 6.775707 2.199643 2.713557 2.790586 2.719154 2.750390 4.224705 1.090889 3.458343 3.574288 4.543355 5.970392 5.825574 4.650810 6.463069 6.921332 5.957724 6.970259 2.971854 3.842771 2.409756 3.822117 4.593381 4.687400 0.000000 10.043906 3.801180 5.909774 6.415447 7.833192 2.159492 3.461419 2.736336 3.898039 3.512040 4.691036 1.091766 2.743540 5.027071 6.051249 6.859581 7.363950 6.075723 7.535013 8.464398 7.363024 8.456741 2.449102 3.655155 3.313633 4.510862 4.879974 4.876873 1.763458 0.000000 10.102083 2.533150 5.182383 5.347149 7.079797 2.179322 2.844484 3.468030 3.664102 3.981885 4.152944 1.088445 2.699244 4.568942 5.809634 6.302852 6.957142 6.186349 6.514948 8.187160 7.537569 8.434011 3.698149 4.306836 3.971216 5.065517 4.722813 4.196070 1.753183 1.762487 0.000000 11.167691 2.895458 4.393989 4.730875 6.549860 2.171408 2.822092 3.491193 4.237873 4.563426 3.135589 2.784779 1.091256 5.313645 6.711563 5.627595 7.707955 7.318893 6.029409 9.026263 8.695588 9.458738 3.944236 3.687833 5.094402 5.419978 3.594806 2.586200 3.769544 3.192969 2.556673 0.000000 11.271693 4.057348 5.392159 6.031379 7.539417 2.158078 3.520129 2.869995 4.550672 4.277684 3.968825 2.655626 1.091221 5.826261 7.052382 6.438734 8.223705 7.348449 7.262315 9.433946 8.678388 9.628832 2.854249 3.072261 4.670735 5.065573 3.993905 3.705040 3.698560 2.463437 2.918812 1.758310 0.000000 10.786657 3.700151 4.082867 4.866928 6.211861 2.194233 2.929981 2.764652 4.084794 4.052879 2.681812 3.458296 1.091673 5.283459 6.541167 5.073351 7.538008 7.053238 6.039998 8.775164 8.362672 9.135101 3.263754 2.451680 4.808279 4.633967 2.575282 2.289750 4.343712 3.710504 3.752569 1.768756 1.751083 0.000000 8.888359 0.967526 2.467446 2.030345 3.997501 3.239499 1.951266 4.343898 2.875330 4.224548 2.422424 3.701534 3.840765 3.037268 4.447206 3.623901 5.027302 5.529513 3.153132 6.406812 6.809992 7.179234 5.270058 4.704083 4.773422 4.966324 3.476619 2.611349 3.801207 4.765006 3.460211 3.495031 4.826594 4.205237 0.000000 6.465159 2.674398 2.766563 2.754568 3.258867 4.079544 2.678614 4.450724 2.073788 3.505068 3.248094 4.484581 5.260027 1.086665 2.144612 3.062966 2.612514 3.408384 3.021392 3.983532 4.546880 4.769739 5.388010 4.868701 3.921409 3.911842 3.870144 4.089601 4.031674 5.504814 4.701434 5.347575 6.166647 5.537915 2.436918 0.000000 7.242287 4.720805 2.127913 3.210150 2.136288 4.934875 3.843831 4.653824 3.558764 4.169702 2.863042 6.194535 5.574312 3.511227 3.979091 1.078817 4.093878 4.909579 3.131714 5.056998 5.745629 5.801173 5.670503 4.207902 5.156612 3.835682 2.556282 3.673099 6.185942 6.972620 6.683798 5.970974 6.511630 5.123502 4.425970 3.651926 0.000000 4.828711 5.012445 4.019685 4.029963 3.056038 6.199895 4.833715 6.182531 3.893212 4.956167 4.967813 6.704706 7.388815 2.635291 2.147085 3.451004 1.083252 3.374428 3.437039 2.129442 3.846572 3.366044 7.097858 6.409194 5.334067 4.865108 5.299907 5.884621 6.135559 7.653081 7.032272 7.574601 8.302223 7.479525 4.612747 2.371828 3.810578 0.000000 4.819173 5.155744 5.559609 6.210739 6.127410 4.770172 4.433257 4.078367 2.958859 2.601140 5.355323 4.798515 6.262467 2.788477 2.154390 5.499556 3.378448 1.079832 6.487467 3.851439 2.120910 3.362187 4.415776 4.711263 2.107525 2.511500 5.285358 6.364044 3.960172 5.267775 5.608189 6.876795 6.703482 6.616496 5.564350 3.780973 5.300028 4.282409 0.000000 8.547238 4.609905 3.113795 2.093535 2.140112 6.493693 4.971189 7.113461 5.185670 6.589861 4.434402 7.243057 7.029996 4.525179 5.224827 3.117871 4.776202 6.618180 1.078707 5.863996 7.450712 7.122521 8.184547 7.110453 7.294733 6.812029 5.162786 4.712054 7.156211 8.301948 7.137129 6.764912 8.110844 6.952013 3.690175 3.606856 4.145020 3.766201 7.210723 0.000000 2.847951 7.322911 6.301346 6.438855 5.054555 8.209310 7.012989 7.881998 5.800901 6.464269 7.187869 8.618741 9.507314 4.594483 3.406442 5.479853 2.143183 3.853330 5.701605 1.081139 3.385554 2.145628 8.651798 8.098919 6.629527 6.089532 7.309024 8.175235 7.893726 9.452212 9.077341 9.823083 10.333723 9.579309 7.019768 4.656309 5.502815 2.453481 4.932552 5.903856 0.000000 2.842513 7.410343 7.364201 7.973571 7.317839 7.177141 6.729500 6.351641 5.206692 4.883447 7.444940 7.225314 8.646242 4.672853 3.401809 6.938628 3.844629 2.143446 7.910884 3.384233 1.081285 2.142798 6.617203 6.817586 4.454030 4.424489 7.281030 8.510798 6.343640 7.639998 8.015214 9.281609 9.084945 8.905415 7.667181 5.499319 6.604819 4.927809 2.439812 8.513404 4.278148 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4377909 0.1539479 0.1235455 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 8.952623 0.000000 8.373700 2.943437 0.000000 8.705592 2.855716 1.360454 0.000000 7.539105 4.708525 2.195492 2.258833 0.000000 9.331732 2.439591 3.872192 4.546469 5.903724 0.000000 8.468605 1.416863 2.501687 3.074894 4.441737 1.566246 0.000000 8.683311 3.662455 4.305185 5.279926 6.103440 1.544193 2.416829 0.000000 7.003678 2.490658 2.974285 3.656208 4.339509 2.433402 1.535853 2.427226 0.000000 7.156070 3.663954 4.107449 5.019546 5.494130 2.449179 2.482303 1.542121 1.514576 0.000000 8.933091 2.420252 1.455385 2.441565 3.615939 2.575179 1.560004 3.109618 2.524033 3.348470 0.000000 9.530157 2.735201 5.016554 5.414768 6.925156 1.542187 2.524401 2.530764 3.072648 3.069652 3.895000 0.000000 10.769286 3.184978 4.356087 4.995335 6.536349 1.532172 2.602977 2.563171 3.816746 3.828647 2.932603 2.498880 0.000000 6.031977 2.973236 3.078299 3.459674 3.774527 3.698835 2.515813 3.742535 1.339423 2.578169 3.245542 4.136349 5.037769 0.000000 4.566811 4.413813 4.215805 4.598835 4.287520 4.956212 3.931914 4.678008 2.544562 3.239147 4.555205 5.287134 6.360275 1.467383 0.000000 7.656504 4.125310 1.348163 2.206897 1.323221 4.856017 3.528059 4.929185 3.483723 4.466011 2.542804 6.029961 5.455786 3.285239 4.005729 0.000000 4.018835 5.211157 4.588126 4.732794 3.969262 6.143177 4.924106 5.967490 3.724969 4.583022 5.302508 6.517523 7.464741 2.461308 1.406961 4.117128 0.000000 4.022807 5.335795 5.345332 5.889408 5.537332 5.354686 4.685857 4.752471 3.159640 3.210420 5.440541 5.548226 6.829432 2.545600 1.405681 5.110558 2.404125 0.000000 8.197330 4.015834 2.099312 1.325591 1.357643 5.679412 4.152808 6.213910 4.357178 5.717148 3.489733 6.539834 6.235973 3.807296 4.594235 2.096093 4.340444 5.952943 0.000000 2.729958 6.577251 5.879208 6.049675 5.000374 7.378469 6.246086 7.041644 4.948580 5.574771 6.610592 7.701804 8.739346 3.757174 2.443542 5.241788 1.389400 2.788555 5.514905 0.000000 2.728892 6.675801 6.493625 6.998398 6.327817 6.732364 6.059177 6.041305 4.535281 4.507657 6.724998 6.893780 8.201289 3.811401 2.438627 6.061851 2.779246 1.391257 6.865539 2.419661 0.000000 1.759452 7.199398 6.709420 7.056285 6.089514 7.620247 6.716320 7.061452 5.264523 5.531681 7.219437 7.852923 9.052998 4.272786 2.807366 6.106270 2.397062 2.403307 6.670161 1.391570 1.391182 0.000000 9.179331 4.496887 5.393203 6.342522 7.185586 2.197086 3.389995 1.092250 3.349813 2.206692 4.159776 2.691351 2.963242 4.625750 5.429525 6.007766 6.781418 5.272502 7.295637 7.769961 6.487346 7.631617 0.000000 9.005018 4.169179 4.124233 5.271546 5.898122 2.180449 2.814640 1.095169 2.951536 2.182236 2.923203 3.470716 2.695167 4.197686 5.104717 4.626338 6.290513 5.243175 6.154847 7.347708 6.471157 7.414597 1.754650 0.000000 6.974164 4.112273 5.032681 5.799498 6.329926 2.955187 3.181972 2.172429 2.149545 1.094611 4.304281 3.026114 4.402724 2.961443 3.371453 5.407062 4.777991 3.017477 6.481060 5.646140 4.249115 5.417961 2.392931 3.033951 0.000000 6.646259 4.542465 4.345406 5.398038 5.430663 3.384461 3.285979 2.214306 2.181776 1.094536 3.778412 4.146605 4.616132 2.916332 3.194435 4.383242 4.448169 2.969056 5.907232 5.272478 4.096176 5.115510 2.776428 2.416763 1.753011 0.000000 8.891718 3.369695 2.060473 3.310273 3.933663 2.784912 2.204293 2.792285 2.773629 3.146548 1.089515 4.268718 3.080697 3.620136 4.739440 2.664345 5.553925 5.434722 4.149273 6.759233 6.664806 7.234299 3.809647 2.261254 4.208531 3.328800 0.000000 9.993772 2.620316 2.066450 2.679510 4.208216 2.853542 2.177160 3.687990 3.467656 4.234249 1.089784 4.118960 2.653431 4.211664 5.577911 3.267450 6.282548 6.486757 3.865772 7.615945 7.788783 8.273629 4.632256 3.457024 5.138427 4.746725 1.775638 0.000000 8.648718 2.889090 5.152225 5.502001 6.829225 2.200796 2.718539 2.793959 2.736948 2.763368 4.242555 1.092253 3.470679 3.596184 4.570723 6.027925 5.822381 4.728421 6.488533 6.929530 6.030344 7.006721 2.973561 3.844601 2.427164 3.838355 4.626414 4.679991 0.000000 10.167958 3.801409 5.948698 6.437652 7.899794 2.168843 3.477875 2.771867 3.938004 3.561251 4.720318 1.093859 2.750932 5.067265 6.111406 6.929165 7.407730 6.179694 7.575858 8.526518 7.475744 8.544969 2.490300 3.686987 3.374849 4.563784 4.928769 4.881251 1.773029 0.000000 10.137160 2.488868 5.161974 5.308782 7.083305 2.178425 2.825280 3.483940 3.662911 3.995262 4.129435 1.090075 2.715788 4.558324 5.804752 6.309341 6.912486 6.239005 6.495450 8.154811 7.586392 8.438740 3.725520 4.316279 3.994400 5.078950 4.715827 4.143868 1.757140 1.776158 0.000000 11.254387 2.914564 4.396487 4.754925 6.575662 2.173566 2.827238 3.505497 4.253740 4.582036 3.120459 2.791025 1.093472 5.324857 6.736686 5.638340 7.736741 7.361440 6.062529 9.069258 8.750103 9.508775 3.961670 3.694018 5.119889 5.434215 3.570288 2.558026 3.776977 3.188057 2.561082 0.000000 11.404737 4.086393 5.427440 6.080958 7.595560 2.165052 3.537957 2.888221 4.578841 4.305783 3.990174 2.672453 1.093574 5.854973 7.104572 6.484062 8.293352 7.411011 7.320257 9.523407 8.762043 9.720283 2.875040 3.084961 4.708388 5.090493 4.011799 3.727033 3.710821 2.469754 2.950384 1.766610 0.000000 10.914159 3.735405 4.112398 4.928847 6.257204 2.198443 2.939880 2.775263 4.099075 4.067751 2.695224 3.473885 1.093479 5.298007 6.581468 5.099867 7.619003 7.082363 6.102485 8.875239 8.418844 9.219342 3.278203 2.453983 4.830708 4.642830 2.565601 2.333060 4.351310 3.722975 3.764819 1.775590 1.759193 0.000000 8.889547 0.970587 2.464705 2.015886 4.017313 3.263480 1.965898 4.372412 2.883324 4.241337 2.421328 3.703645 3.877069 3.024346 4.424418 3.639296 4.978282 5.536057 3.161541 6.363400 6.810395 7.153466 5.295708 4.732326 4.779521 4.983587 3.476689 2.587753 3.798268 4.768440 3.420858 3.519862 4.860164 4.244580 0.000000 6.504522 2.651937 2.735696 2.700034 3.271855 4.076103 2.655593 4.453854 2.066100 3.511882 3.218879 4.486953 5.253571 1.086996 2.147164 3.072542 2.597286 3.436116 2.996885 3.980029 4.573245 4.778941 5.394558 4.861693 3.928388 3.922703 3.851179 4.040779 4.041185 5.517917 4.663193 5.326531 6.164980 5.520810 2.392648 0.000000 7.465405 4.762485 2.135884 3.234968 2.148173 4.993023 3.881611 4.741112 3.632646 4.273917 2.882994 6.266121 5.603067 3.587065 4.104635 1.078783 4.324992 4.980802 3.152692 5.302232 5.857817 5.985576 5.765471 4.281315 5.262999 3.952416 2.574453 3.691141 6.262843 7.060938 6.705384 5.972461 6.552716 5.132081 4.443400 3.681536 0.000000 4.866816 4.965433 4.127056 4.032487 3.233237 6.250942 4.863562 6.287836 3.938935 5.052097 5.068203 6.696010 7.451757 2.643698 2.155082 3.662490 1.084470 3.389993 3.464413 2.136908 3.863660 3.376382 7.196996 6.551680 5.381325 5.018563 5.457175 5.954891 6.103942 7.669542 6.950828 7.593438 8.365865 7.571763 4.542525 2.335821 4.097282 0.000000 4.855631 5.215115 5.550982 6.205184 6.115418 4.811387 4.451056 4.068483 2.955717 2.570180 5.357180 4.909838 6.299425 2.802213 2.163098 5.490249 3.393616 1.080004 6.475602 3.868079 2.126762 3.371527 4.424572 4.660059 2.133701 2.409317 5.277627 6.366721 4.089267 5.402430 5.713424 6.921567 6.753980 6.610320 5.596216 3.821798 5.298767 4.298289 0.000000 8.510568 4.630996 3.139066 2.103865 2.151781 6.544839 5.007738 7.176928 5.212605 6.634798 4.471894 7.268260 7.090918 4.522386 5.196321 3.138671 4.730445 6.592731 1.079212 5.808229 7.413723 7.069044 8.245621 7.181708 7.320470 6.862668 5.198923 4.745324 7.172619 8.333708 7.112176 6.806640 8.171728 7.022707 3.702990 3.583541 4.166116 3.723679 7.195800 0.000000 2.867309 7.297757 6.413089 6.449247 5.199464 8.287457 7.062090 8.017537 5.860080 6.583947 7.308243 8.639391 9.600332 4.615293 3.424392 5.676775 2.154231 3.871004 5.719210 1.082465 3.398807 2.149879 8.787962 8.275612 6.702588 6.273886 7.495405 8.272443 7.887798 9.504766 9.025789 9.869466 10.432087 9.701416 6.969474 4.651755 5.797001 2.468520 4.950467 5.849186 0.000000 2.862206 7.456090 7.394421 7.974186 7.332235 7.250847 6.770720 6.415022 5.237264 4.932225 7.496285 7.331650 8.722717 4.695492 3.419601 6.981597 3.861804 2.153856 7.899439 3.397653 1.082635 2.147581 6.699472 6.863797 4.522073 4.460092 7.350840 8.558011 6.446852 7.781928 8.100100 9.348332 9.177640 8.957080 7.683374 5.535763 6.685743 4.946214 2.452471 8.478040 4.288246 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4311763 0.1509245 0.1214819 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= 628 628 628 628 628 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 1944.5083372625 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 -0.0527065000 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1939.0890966063 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 -0.0521361280 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1946.0377906992 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 -0.0529353746 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.2683625315 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 -0.0526127674 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.2387993462 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 -0.0525488842 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.3865925810 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 -0.0525314919 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.4220003436 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 -0.0525285646 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.3802168374 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 -0.0525183737 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.3512049626 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 -0.0525065579 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.5240168545 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 -0.0525110781 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.5092022294 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 -0.0525034671 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.1886496927 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 -0.0524638131 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.1053438355 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 -0.0524495499 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.0168772080 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 -0.0524308038 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1942.9687376573 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 -0.0524200869 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1942.9555749664 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 -0.0524154132 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= 1.03D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 7.44D-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= 627 627 627 627 627 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.21567758767 -1359.43987173188 -0.224194144211 -1359.77379939190 -0.333927660022 -1359.80022583526 -0.026426443352 -1359.81894073845 -0.018714903193 -1359.81991972259 -0.000978984139 -1359.82001340464 -0.000093682052 -1359.82002310554 -0.000009700902 -1359.82002364727 -0.000000541732 -1359.82002377151 -0.000000124237 -1359.82002377734 -0.000000005826 -1359.82002377834 -0.000000000999 -1359.82002377837 -0.000000000030 -1359.82002377840 -0.000000000030 -1359.82002377833 0.000000000061 -1359.82002378 15 1.355434205487e+03 -7.102140435617e+03 2.428592432169e+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. -1.07152172e+00 -6.31586031e-01 8.63671000e-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 0.014271623 -0.000052037 -0.002579613 -0.003955880 -0.002420700 0.012702583 -0.004824550 0.008547030 -0.006977335 -0.010905073 -0.000005003 0.015582436 0.010883609 -0.009819543 -0.003619321 -0.003487693 0.002333488 -0.000619784 0.002400798 0.003134600 -0.008718598 -0.000782384 0.003716016 -0.005368146 0.002371893 0.000609246 0.001021681 0.003425466 0.002135434 -0.002346347 -0.006325694 0.001387104 -0.005068607 0.000026781 0.004074508 0.004730256 -0.004578260 -0.000193006 -0.001227151 0.001282250 -0.001871385 0.002311197 -0.003890649 -0.000434226 0.001328316 0.005263916 0.005611564 -0.015126470 -0.001463310 -0.005664260 0.001404010 -0.001924047 0.005964667 -0.000851899 0.003893975 -0.012908734 0.011146399 0.001508120 -0.005201100 0.000643410 0.001256929 0.005292960 -0.000932239 -0.005862373 -0.000044618 0.000968698 -0.000434729 0.000991412 0.000167906 -0.000404820 -0.000828972 -0.000361904 0.000532426 0.000351130 0.000739403 0.000881030 -0.000421909 -0.000532424 0.000744697 0.000434247 0.000216545 0.000363427 0.000103996 0.001605794 0.001138273 -0.000825657 0.000002577 -0.000550788 0.001463393 -0.000953454 -0.000444382 -0.002012815 0.000725910 -0.000088836 -0.001005383 0.001499429 -0.000357341 0.001789330 -0.000113175 0.000346275 -0.000693556 -0.001142793 0.000405291 -0.002481771 -0.000082974 -0.001618548 -0.000635647 -0.000503980 -0.000266689 0.000436569 -0.000003762 -0.000584539 -0.000818905 0.000313739 -0.000371008 0.000297374 -0.000038553 0.000053873 -0.000365640 0.000397784 0.001063602 -0.000687800 -0.000100023 0.001007340 0.000718601 -0.000239522 0.015582436 0.004247558 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1359.82313417119 -1359.82316453781 -0.000030366621 -1359.82316415071 0.000000387093 -1359.82316499000 -0.000000839289 -1359.82316500067 -0.000000010671 -1359.82316500352 -0.000000002843 -1359.82316500401 -0.000000000493 -1359.82316500422 -0.000000000214 -1359.82316500414 0.000000000089 -1359.82316500399 0.000000000149 -1359.82316500 10 1.354834858535e+03 -7.070923768587e+03 2.413362585495e+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) PT148605.400S Sat Aug 14 08:30:47 2021 -1.13694868e+00 -6.27984405e-01 8.86441143e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1359.823165 6.023E-9 4.289E-6 -5.5263769,3.6165081,1.9098688,-0.8206494,6.2653198,-5.2036978 C01 [X(C17H20Cl1N3O1)] -1.1022781 0.7151718 -0.8638906 -0.000007569 -0.000000750 0.000000739 0.000008804 0.000018283 0.000006520 0.000003353 0.000012498 -0.000003785 -0.000002942 -0.000007912 -0.000017078 0.000009826 0.000007621 0.000008276 -0.000002396 -0.000004005 0.000001694 -0.000007207 0.000000099 0.000004906 0.000001592 0.000004359 -0.000002208 0.000005652 0.000003819 -0.000001154 0.000003191 0.000000157 0.000001776 0.000002721 0.000005053 0.000000653 0.000000321 -0.000003694 -0.000000663 0.000002231 -0.000000006 -0.000000001 0.000002298 -0.000003175 -0.000000248 -0.000003603 0.000001365 -0.000000711 -0.000014666 -0.000011170 -0.000003601 0.000001046 -0.000002360 -0.000000196 0.000000081 -0.000002464 -0.000000280 -0.000000022 -0.000007312 0.000003711 -0.000003781 0.000000847 -0.000000797 -0.000004337 -0.000001061 0.000000772 0.000010980 -0.000001644 -0.000001608 0.000000703 0.000000529 0.000002022 0.000001155 0.000001557 0.000001989 0.000000956 -0.000000549 0.000000686 0.000000720 0.000000404 0.000000543 -0.000000747 -0.000000207 0.000000546 0.000000033 -0.000000645 -0.000000393 0.000000658 -0.000000712 0.000000653 0.000000400 -0.000001057 0.000001647 0.000000156 -0.000002636 0.000001387 0.000000538 0.000000155 0.000000481 0.000000786 0.000000799 0.000001038 0.000000312 0.000001224 0.000000744 -0.000004460 -0.000007979 -0.000003517 -0.000002032 0.000001115 0.000000526 -0.000001841 0.000000026 -0.000000394 -0.000000082 -0.000000849 -0.000001894 -0.000003426 0.000002426 -0.000000191 0.000000532 -0.000000567 -0.000002075 -0.000000289 -0.000001463 -0.000000805 0.000000355 -0.000000118 0.000000292 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-BELVIS20 PAULAPLA Optimization triticonazole_Z CONF3 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 CONF3 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/CONF3/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 1.7595 1.4169 0.9706 1.3605 1.4554 1.3482 1.3256 1.3232 1.3576 1.5662 1.5442 1.5422 1.5322 1.5359 1.56 1.5421 1.0923 1.0952 1.5146 1.3394 1.0946 1.0945 1.0895 1.0898 1.0923 1.0939 1.0901 1.0935 1.0936 1.0935 1.4674 1.087 1.407 1.4057 1.0788 1.3894 1.0845 1.3913 1.08 1.0792 1.3916 1.0825 1.3912 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 21 109.4363 120.2053 109.1282 130.1477 102.8 102.8571 101.9721 108.6034 114.2966 110.1652 112.8534 108.743 109.6292 114.9668 108.689 103.333 110.9192 109.2304 105.039 111.7435 110.2456 112.6689 110.5308 106.6727 108.9269 121.937 129.102 105.1311 109.7917 113.147 109.8967 112.4889 106.4081 112.077 107.2486 107.7002 111.3625 109.2106 109.1302 112.1859 109.5503 110.5266 108.3957 107.2528 108.8359 110.6405 109.961 112.641 107.7555 108.5644 107.0983 130.0153 116.3654 113.5685 117.7926 124.7415 117.4657 110.5385 122.9171 126.5444 121.8121 119.2 118.9757 121.3576 120.4041 118.2225 114.663 121.7209 123.6148 119.0728 120.7633 120.1639 119.4785 120.5544 119.9665 119.6242 119.5695 120.806 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 20 157.8726 -86.2697 36.4847 -173.4696 -0.9212 64.7665 -172.718 -55.3767 -106.0095 16.5061 133.8474 1.2383 -178.7985 172.8067 -7.23 0.3381 -179.2537 -0.9588 179.0796 0.3749 179.9579 159.2002 36.1703 -80.764 42.8922 -80.1378 162.9279 -78.7051 158.2649 41.3306 -38.8704 -161.3364 80.2182 76.2978 -46.1682 -164.6136 -161.9503 75.5837 -42.8618 51.7362 172.1655 -67.9142 -59.1663 61.263 -178.8167 176.673 -62.8976 57.0226 55.4738 174.3888 -66.2435 171.4022 -69.6827 49.685 -66.0466 52.8684 172.2361 -140.2718 41.6708 -20.8542 161.0884 97.2644 -80.7929 -65.2559 174.5964 54.0036 174.1496 54.002 -66.5909 60.8953 -59.2523 -179.8452 26.3664 -91.7969 149.4957 148.2318 30.0684 -88.6389 -92.5308 149.3059 30.5985 -3.0621 115.0304 -126.6124 174.8134 -67.0941 51.2631 174.6526 -2.561 -2.9792 179.8072 -157.8875 21.9444 19.3887 -160.7793 178.8958 0.1822 -0.9485 -179.6621 -179.3968 2.077 0.4356 -178.0906 0.7069 -179.2869 179.4233 -0.5706 0.3026 -179.4399 178.86 -0.8825 179.8473 0.0703 -0.1588 -179.9357 179.6569 -0.566 -0.599 179.1781 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00076 0.00279 0.00367 0.00411 0.00449 0.00595 0.00891 0.01006 0.01204 0.01458 0.01715 0.01777 0.01801 0.02117 0.02191 0.02278 0.02356 0.02392 0.02574 0.02615 0.02773 0.02916 0.03057 0.03464 0.03684 0.04089 0.04224 0.04379 0.04460 0.04547 0.04599 0.04659 0.04759 0.04943 0.05493 0.05780 0.05834 0.06303 0.06758 0.06986 0.07217 0.07260 0.07869 0.08258 0.08794 0.09430 0.10034 0.10861 0.11331 0.11577 0.11616 0.11929 0.11945 0.12385 0.12640 0.13106 0.13563 0.14083 0.14944 0.15420 0.15690 0.15887 0.16179 0.17123 0.17338 0.17869 0.18452 0.19194 0.19658 0.20149 0.20844 0.21290 0.22247 0.23848 0.24067 0.24456 0.25408 0.25661 0.26056 0.26791 0.27162 0.27778 0.28924 0.31147 0.31717 0.32201 0.32386 0.32570 0.33028 0.33213 0.33274 0.33310 0.33650 0.33753 0.34067 0.34130 0.34563 0.34701 0.34824 0.35001 0.35637 0.35949 0.36138 0.36477 0.37016 0.37135 0.38229 0.39530 0.40875 0.41278 0.43541 0.45452 0.46097 0.46650 0.48338 0.50286 0.50445 0.52605 0.59882 0.61751 Angle between quadratic step and forces= 75.14 degrees. 1 2 0.00061730 0.00000020 0.00000012 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 3.32488 2.67748 1.83414 2.57089 2.75028 2.54766 2.50500 2.50053 2.56557 2.95978 2.91810 2.91431 2.89538 2.90234 2.94798 2.91419 2.06405 2.06957 2.86213 2.53114 2.06851 2.06837 2.05889 2.05939 2.06406 2.06709 2.05994 2.06636 2.06656 2.06638 2.77295 2.05412 2.65877 2.65635 2.03860 2.62559 2.04935 2.62909 2.04091 2.03942 2.62969 2.04556 2.62895 2.04588 1.91002 2.09798 1.90465 2.27151 1.79420 1.79520 1.77975 1.89549 1.99485 1.92275 1.96966 1.89792 1.91339 2.00655 1.89698 1.80350 1.93591 1.90643 1.83328 1.95029 1.92415 1.96644 1.92913 1.86179 1.90113 2.12820 2.25325 1.83488 1.91623 1.97479 1.91806 1.96330 1.85717 1.95611 1.87184 1.87972 1.94364 1.90608 1.90468 1.95801 1.91201 1.92905 1.89186 1.87192 1.89954 1.93104 1.91918 1.96596 1.88069 1.89481 1.86922 2.26920 2.03096 1.98214 2.05587 2.17715 2.05016 1.92926 2.14531 2.20862 2.12602 2.08043 2.07652 2.11809 2.10145 2.06337 2.00125 2.12443 2.15748 2.07821 2.10772 2.09726 2.08529 2.10407 2.09381 2.08784 2.08688 2.10846 2.75540 -1.50569 0.63678 -3.02762 -0.01608 1.13039 -3.01450 -0.96651 -1.85021 0.28809 2.33608 0.02161 -3.12062 3.01605 -0.12619 0.00590 -3.12857 -0.01673 3.12553 0.00654 3.14086 2.77857 0.63129 -1.40960 0.74861 -1.39867 2.84363 -1.37366 2.76224 0.72136 -0.67842 -2.81585 1.40007 1.33165 -0.80579 -2.87305 -2.82657 1.31918 -0.74808 0.90297 3.00486 -1.18533 -1.03265 1.06924 -3.12094 3.08353 -1.09777 0.99523 0.96820 3.04366 -1.15617 2.99153 -1.21619 0.86717 -1.15273 0.92273 3.00609 -2.44821 0.72729 -0.36397 2.81152 1.69758 -1.41010 -1.13893 3.04728 0.94254 3.03948 0.94251 -1.16223 1.06282 -1.03415 -3.13889 0.46018 -1.60216 2.60919 2.58713 0.52479 -1.54704 -1.61497 2.60588 0.53404 -0.05344 2.00766 -2.20980 3.05107 -1.17101 0.89471 3.04826 -0.04470 -0.05200 3.13823 -2.75566 0.38300 0.33840 -2.80613 3.12232 0.00318 -0.01655 -3.13570 -3.13106 0.03625 0.00760 -3.10827 0.01234 -3.12915 3.13153 -0.00996 0.00528 -3.13182 3.12170 -0.01540 3.13893 0.00123 -0.00277 -3.14047 3.13560 -0.00988 -0.01045 3.12725 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 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 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 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 0.00001 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 -0.00004 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00002 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00006 -0.00002 0.00005 0.00003 0.00001 0.00003 -0.00004 0.00002 0.00001 -0.00001 -0.00000 0.00002 -0.00008 0.00006 0.00002 -0.00003 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00004 -0.00003 -0.00001 -0.00002 -0.00001 0.00002 0.00000 0.00001 -0.00001 0.00003 0.00002 -0.00004 -0.00003 0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00011 0.00003 0.00008 0.00004 -0.00006 0.00002 0.00001 -0.00000 -0.00000 -0.00002 0.00001 0.00001 -0.00001 -0.00002 0.00003 -0.00002 0.00002 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00067 -0.00068 -0.00069 0.00026 0.00009 0.00025 0.00025 0.00023 0.00046 0.00047 0.00045 -0.00014 -0.00003 -0.00033 -0.00023 -0.00002 -0.00004 0.00011 0.00000 -0.00006 -0.00004 -0.00023 -0.00015 -0.00015 -0.00024 -0.00016 -0.00016 -0.00022 -0.00014 -0.00014 0.00003 0.00003 0.00002 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00006 0.00007 0.00008 0.00005 0.00005 0.00006 0.00006 0.00007 0.00007 -0.00003 -0.00003 -0.00004 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00022 0.00029 0.00021 0.00029 0.00019 0.00027 0.00019 0.00016 0.00017 0.00014 0.00011 0.00012 0.00013 0.00010 0.00011 0.00009 0.00010 0.00010 0.00009 0.00010 0.00010 0.00010 0.00011 0.00011 -0.00019 -0.00021 -0.00021 -0.00027 -0.00029 -0.00030 -0.00014 -0.00009 -0.00005 0.00000 0.00065 0.00062 0.00059 0.00057 -0.00003 0.00003 -0.00001 0.00005 0.00003 0.00006 0.00000 0.00003 0.00000 0.00001 -0.00005 -0.00005 -0.00000 0.00001 -0.00003 -0.00002 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00004 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00002 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00006 -0.00002 0.00005 0.00003 0.00001 0.00003 -0.00004 0.00002 0.00001 -0.00001 -0.00000 0.00002 -0.00008 0.00006 0.00002 -0.00003 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00004 -0.00003 -0.00001 -0.00002 -0.00001 0.00002 0.00000 0.00001 -0.00001 0.00003 0.00002 -0.00004 -0.00003 0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00011 0.00003 0.00008 0.00004 -0.00006 0.00002 0.00001 -0.00000 -0.00000 -0.00002 0.00001 0.00001 -0.00001 -0.00002 0.00003 -0.00002 0.00002 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00067 -0.00068 -0.00069 0.00026 0.00009 0.00025 0.00025 0.00023 0.00046 0.00047 0.00045 -0.00014 -0.00003 -0.00033 -0.00023 -0.00002 -0.00004 0.00011 0.00000 -0.00006 -0.00004 -0.00023 -0.00015 -0.00015 -0.00024 -0.00016 -0.00016 -0.00022 -0.00014 -0.00014 0.00003 0.00003 0.00002 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00006 0.00007 0.00008 0.00005 0.00005 0.00006 0.00006 0.00007 0.00007 -0.00003 -0.00003 -0.00004 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00022 0.00029 0.00021 0.00029 0.00019 0.00027 0.00019 0.00016 0.00017 0.00014 0.00011 0.00012 0.00013 0.00010 0.00011 0.00009 0.00010 0.00010 0.00009 0.00010 0.00010 0.00010 0.00011 0.00011 -0.00019 -0.00021 -0.00021 -0.00027 -0.00029 -0.00030 -0.00014 -0.00009 -0.00005 0.00000 0.00065 0.00062 0.00059 0.00057 -0.00003 0.00003 -0.00001 0.00005 0.00003 0.00006 0.00000 0.00003 0.00000 0.00001 -0.00005 -0.00005 -0.00000 0.00001 -0.00003 -0.00002 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00001 3.32485 2.67749 1.83416 2.57089 2.75028 2.54766 2.50500 2.50053 2.56558 2.95977 2.91812 2.91430 2.89538 2.90235 2.94800 2.91418 2.06405 2.06957 2.86212 2.53113 2.06851 2.06837 2.05888 2.05939 2.06406 2.06709 2.05995 2.06637 2.06655 2.06637 2.77294 2.05413 2.65877 2.65634 2.03860 2.62559 2.04935 2.62909 2.04092 2.03941 2.62969 2.04556 2.62896 2.04589 1.91002 2.09792 1.90463 2.27156 1.79422 1.79520 1.77978 1.89545 1.99487 1.92276 1.96965 1.89792 1.91341 2.00647 1.89705 1.80352 1.93588 1.90643 1.83328 1.95029 1.92414 1.96645 1.92912 1.86180 1.90117 2.12817 2.25324 1.83487 1.91622 1.97481 1.91806 1.96331 1.85716 1.95615 1.87186 1.87968 1.94362 1.90610 1.90467 1.95801 1.91202 1.92904 1.89187 1.87191 1.89955 1.93105 1.91918 1.96596 1.88068 1.89481 1.86922 2.26909 2.03099 1.98222 2.05591 2.17709 2.05019 1.92927 2.14530 2.20861 2.12600 2.08044 2.07653 2.11808 2.10143 2.06340 2.00123 2.12445 2.15749 2.07823 2.10771 2.09725 2.08529 2.10407 2.09381 2.08784 2.08688 2.10845 2.75473 -1.50637 0.63609 -3.02736 -0.01598 1.13064 -3.01424 -0.96627 -1.84975 0.28855 2.33653 0.02148 -3.12065 3.01571 -0.12642 0.00588 -3.12860 -0.01662 3.12553 0.00649 3.14082 2.77834 0.63114 -1.40975 0.74837 -1.39883 2.84347 -1.37388 2.76210 0.72122 -0.67838 -2.81582 1.40009 1.33166 -0.80578 -2.87305 -2.82656 1.31918 -0.74809 0.90303 3.00493 -1.18525 -1.03260 1.06929 -3.12088 3.08359 -1.09770 0.99531 0.96818 3.04363 -1.15620 2.99155 -1.21619 0.86717 -1.15272 0.92273 3.00609 -2.44799 0.72759 -0.36376 2.81181 1.69777 -1.40984 -1.13874 3.04744 0.94271 3.03962 0.94262 -1.16211 1.06296 -1.03405 -3.13878 0.46027 -1.60206 2.60929 2.58722 0.52489 -1.54694 -1.61487 2.60599 0.53415 -0.05363 2.00745 -2.21001 3.05080 -1.17131 0.89441 3.04812 -0.04479 -0.05205 3.13823 -2.75501 0.38362 0.33899 -2.80556 3.12229 0.00321 -0.01656 -3.13564 -3.13103 0.03631 0.00761 -3.10824 0.01234 -3.12914 3.13147 -0.01001 0.00528 -3.13181 3.12167 -0.01542 3.13892 0.00122 -0.00278 -3.14048 3.13561 -0.00988 -0.01046 3.12724 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000003 0.003870 0.000617 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.421610e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1942.9555749664 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 -0.0524154132 0.000000 8.952623 0.000000 8.373700 2.943437 0.000000 8.705592 2.855716 1.360454 0.000000 7.539105 4.708525 2.195492 2.258833 0.000000 9.331732 2.439591 3.872192 4.546469 5.903724 0.000000 8.468605 1.416863 2.501687 3.074894 4.441737 1.566246 0.000000 8.683311 3.662455 4.305185 5.279926 6.103440 1.544193 2.416829 0.000000 7.003678 2.490658 2.974285 3.656208 4.339509 2.433402 1.535853 2.427226 0.000000 7.156070 3.663954 4.107449 5.019546 5.494130 2.449179 2.482303 1.542121 1.514576 0.000000 8.933091 2.420252 1.455385 2.441565 3.615939 2.575179 1.560004 3.109618 2.524033 3.348470 0.000000 9.530157 2.735201 5.016554 5.414768 6.925156 1.542187 2.524401 2.530764 3.072648 3.069652 3.895000 0.000000 10.769286 3.184978 4.356087 4.995335 6.536349 1.532172 2.602977 2.563171 3.816746 3.828647 2.932603 2.498880 0.000000 6.031977 2.973236 3.078299 3.459674 3.774527 3.698835 2.515813 3.742535 1.339423 2.578169 3.245542 4.136349 5.037769 0.000000 4.566811 4.413813 4.215805 4.598835 4.287520 4.956212 3.931914 4.678008 2.544562 3.239147 4.555205 5.287134 6.360275 1.467383 0.000000 7.656504 4.125310 1.348163 2.206897 1.323221 4.856017 3.528059 4.929185 3.483723 4.466011 2.542804 6.029961 5.455786 3.285239 4.005729 0.000000 4.018835 5.211157 4.588126 4.732794 3.969262 6.143177 4.924106 5.967490 3.724969 4.583022 5.302508 6.517523 7.464741 2.461308 1.406961 4.117128 0.000000 4.022807 5.335795 5.345332 5.889408 5.537332 5.354686 4.685857 4.752471 3.159640 3.210420 5.440541 5.548226 6.829432 2.545600 1.405681 5.110558 2.404125 0.000000 8.197330 4.015834 2.099312 1.325591 1.357643 5.679412 4.152808 6.213910 4.357178 5.717148 3.489733 6.539834 6.235973 3.807296 4.594235 2.096093 4.340444 5.952943 0.000000 2.729958 6.577251 5.879208 6.049675 5.000374 7.378469 6.246086 7.041644 4.948580 5.574771 6.610592 7.701804 8.739346 3.757174 2.443542 5.241788 1.389400 2.788555 5.514905 0.000000 2.728892 6.675801 6.493625 6.998398 6.327817 6.732364 6.059177 6.041305 4.535281 4.507657 6.724998 6.893780 8.201289 3.811401 2.438627 6.061851 2.779246 1.391257 6.865539 2.419661 0.000000 1.759452 7.199398 6.709420 7.056285 6.089514 7.620247 6.716320 7.061452 5.264523 5.531681 7.219437 7.852923 9.052998 4.272786 2.807366 6.106270 2.397062 2.403307 6.670161 1.391570 1.391182 0.000000 9.179331 4.496887 5.393203 6.342522 7.185586 2.197086 3.389995 1.092250 3.349813 2.206692 4.159776 2.691351 2.963242 4.625750 5.429525 6.007766 6.781418 5.272502 7.295637 7.769961 6.487346 7.631617 0.000000 9.005018 4.169179 4.124233 5.271546 5.898122 2.180449 2.814640 1.095169 2.951536 2.182236 2.923203 3.470716 2.695167 4.197686 5.104717 4.626338 6.290513 5.243175 6.154847 7.347708 6.471157 7.414597 1.754650 0.000000 6.974164 4.112273 5.032681 5.799498 6.329926 2.955187 3.181972 2.172429 2.149545 1.094611 4.304281 3.026114 4.402724 2.961443 3.371453 5.407062 4.777991 3.017477 6.481060 5.646140 4.249115 5.417961 2.392931 3.033951 0.000000 6.646259 4.542465 4.345406 5.398038 5.430663 3.384461 3.285979 2.214306 2.181776 1.094536 3.778412 4.146605 4.616132 2.916332 3.194435 4.383242 4.448169 2.969056 5.907232 5.272478 4.096176 5.115510 2.776428 2.416763 1.753011 0.000000 8.891718 3.369695 2.060473 3.310273 3.933663 2.784912 2.204293 2.792285 2.773629 3.146548 1.089515 4.268718 3.080697 3.620136 4.739440 2.664345 5.553925 5.434722 4.149273 6.759233 6.664806 7.234299 3.809647 2.261254 4.208531 3.328800 0.000000 9.993772 2.620316 2.066450 2.679510 4.208216 2.853542 2.177160 3.687990 3.467656 4.234249 1.089784 4.118960 2.653431 4.211664 5.577911 3.267450 6.282548 6.486757 3.865772 7.615945 7.788783 8.273629 4.632256 3.457024 5.138427 4.746725 1.775638 0.000000 8.648718 2.889090 5.152225 5.502001 6.829225 2.200796 2.718539 2.793959 2.736948 2.763368 4.242555 1.092253 3.470679 3.596184 4.570723 6.027925 5.822381 4.728421 6.488533 6.929530 6.030344 7.006721 2.973561 3.844601 2.427164 3.838355 4.626414 4.679991 0.000000 10.167958 3.801409 5.948698 6.437652 7.899794 2.168843 3.477875 2.771867 3.938004 3.561251 4.720318 1.093859 2.750932 5.067265 6.111406 6.929165 7.407730 6.179694 7.575858 8.526518 7.475744 8.544969 2.490300 3.686987 3.374849 4.563784 4.928769 4.881251 1.773029 0.000000 10.137160 2.488868 5.161974 5.308782 7.083305 2.178425 2.825280 3.483940 3.662911 3.995262 4.129435 1.090075 2.715788 4.558324 5.804752 6.309341 6.912486 6.239005 6.495450 8.154811 7.586392 8.438740 3.725520 4.316279 3.994400 5.078950 4.715827 4.143868 1.757140 1.776158 0.000000 11.254387 2.914564 4.396487 4.754925 6.575662 2.173566 2.827238 3.505497 4.253740 4.582036 3.120459 2.791025 1.093472 5.324857 6.736686 5.638340 7.736741 7.361440 6.062529 9.069258 8.750103 9.508775 3.961670 3.694018 5.119889 5.434215 3.570288 2.558026 3.776977 3.188057 2.561082 0.000000 11.404737 4.086393 5.427440 6.080958 7.595560 2.165052 3.537957 2.888221 4.578841 4.305783 3.990174 2.672453 1.093574 5.854973 7.104572 6.484062 8.293352 7.411011 7.320257 9.523407 8.762043 9.720283 2.875040 3.084961 4.708388 5.090493 4.011799 3.727033 3.710821 2.469754 2.950384 1.766610 0.000000 10.914159 3.735405 4.112398 4.928847 6.257204 2.198443 2.939880 2.775263 4.099075 4.067751 2.695224 3.473885 1.093479 5.298007 6.581468 5.099867 7.619003 7.082363 6.102485 8.875239 8.418844 9.219342 3.278203 2.453983 4.830708 4.642830 2.565601 2.333060 4.351310 3.722975 3.764819 1.775590 1.759193 0.000000 8.889547 0.970587 2.464705 2.015886 4.017313 3.263480 1.965898 4.372412 2.883324 4.241337 2.421328 3.703645 3.877069 3.024346 4.424418 3.639296 4.978282 5.536057 3.161541 6.363400 6.810395 7.153466 5.295708 4.732326 4.779521 4.983587 3.476689 2.587753 3.798268 4.768440 3.420858 3.519862 4.860164 4.244580 0.000000 6.504522 2.651937 2.735696 2.700034 3.271855 4.076103 2.655593 4.453854 2.066100 3.511882 3.218879 4.486953 5.253571 1.086996 2.147164 3.072542 2.597286 3.436116 2.996885 3.980029 4.573245 4.778941 5.394558 4.861693 3.928388 3.922703 3.851179 4.040779 4.041185 5.517917 4.663193 5.326531 6.164980 5.520810 2.392648 0.000000 7.465405 4.762485 2.135884 3.234968 2.148173 4.993023 3.881611 4.741112 3.632646 4.273917 2.882994 6.266121 5.603067 3.587065 4.104635 1.078783 4.324992 4.980802 3.152692 5.302232 5.857817 5.985576 5.765471 4.281315 5.262999 3.952416 2.574453 3.691141 6.262843 7.060938 6.705384 5.972461 6.552716 5.132081 4.443400 3.681536 0.000000 4.866816 4.965433 4.127056 4.032487 3.233237 6.250942 4.863562 6.287836 3.938935 5.052097 5.068203 6.696010 7.451757 2.643698 2.155082 3.662490 1.084470 3.389993 3.464413 2.136908 3.863660 3.376382 7.196996 6.551680 5.381325 5.018563 5.457175 5.954891 6.103942 7.669542 6.950828 7.593438 8.365865 7.571763 4.542525 2.335821 4.097282 0.000000 4.855631 5.215115 5.550982 6.205184 6.115418 4.811387 4.451056 4.068483 2.955717 2.570180 5.357180 4.909838 6.299425 2.802213 2.163098 5.490249 3.393616 1.080004 6.475602 3.868079 2.126762 3.371527 4.424572 4.660059 2.133701 2.409317 5.277627 6.366721 4.089267 5.402430 5.713424 6.921567 6.753980 6.610320 5.596216 3.821798 5.298767 4.298289 0.000000 8.510568 4.630996 3.139066 2.103865 2.151781 6.544839 5.007738 7.176928 5.212605 6.634798 4.471894 7.268260 7.090918 4.522386 5.196321 3.138671 4.730445 6.592731 1.079212 5.808229 7.413723 7.069044 8.245621 7.181708 7.320470 6.862668 5.198923 4.745324 7.172619 8.333708 7.112176 6.806640 8.171728 7.022707 3.702990 3.583541 4.166116 3.723679 7.195800 0.000000 2.867309 7.297757 6.413089 6.449247 5.199464 8.287457 7.062090 8.017537 5.860080 6.583947 7.308243 8.639391 9.600332 4.615293 3.424392 5.676775 2.154231 3.871004 5.719210 1.082465 3.398807 2.149879 8.787962 8.275612 6.702588 6.273886 7.495405 8.272443 7.887798 9.504766 9.025789 9.869466 10.432087 9.701416 6.969474 4.651755 5.797001 2.468520 4.950467 5.849186 0.000000 2.862206 7.456090 7.394421 7.974186 7.332235 7.250847 6.770720 6.415022 5.237264 4.932225 7.496285 7.331650 8.722717 4.695492 3.419601 6.981597 3.861804 2.153856 7.899439 3.397653 1.082635 2.147581 6.699472 6.863797 4.522073 4.460092 7.350840 8.558011 6.446852 7.781928 8.100100 9.348332 9.177640 8.957080 7.683374 5.535763 6.685743 4.946214 2.452471 8.478040 4.288246 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4311763 0.1509245 0.1214819 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= 1.03D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 7.44D-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= 627 627 627 627 627 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82316500394 -1359.82316500417 -0.000000000235 -1359.82316500 2 1.354834858439e+03 -7.070923766949e+03 2.413362583954e+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. 12986 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= 810000000 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 80.53% of shell-pairs survive, threshold= 0.20 IRatSp=81. 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= 3.57D+02 1.33D+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= 8.13D+01 1.75D+00. 126 vectors produced by pass 2 Test12= 4.41D-14 1.00D-09 XBig12= 8.46D-01 8.10D-02. 126 vectors produced by pass 3 Test12= 4.41D-14 1.00D-09 XBig12= 5.68D-03 5.23D-03. 126 vectors produced by pass 4 Test12= 4.41D-14 1.00D-09 XBig12= 1.40D-05 3.13D-04. 116 vectors produced by pass 5 Test12= 4.41D-14 1.00D-09 XBig12= 2.14D-08 9.30D-06. 40 vectors produced by pass 6 Test12= 4.41D-14 1.00D-09 XBig12= 2.82D-11 3.18D-07. 3 vectors produced by pass 7 Test12= 4.41D-14 1.00D-09 XBig12= 3.07D-14 1.38D-08. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 789 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 240.08 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 326.651 20.587 225.974 3.846 -14.499 167.616 444.488 34.751 349.459 11.531 -35.502 283.543 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT104392.400S Sat Aug 14 10:19:37 2021 -1.13694850e+00 -6.27984537e-01 8.86441099e-01 3.26650858e+02 2.05868333e+01 2.25974017e+02 3.84592398e+00 -1.44994982e+01 1.67616297e+02 -3.3286 -0.1687 -0.0019 -0.0008 -0.0007 1.8158 13.8461 32.8158 55.4866 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 13.8311 32.8154 55.4861 63.6809 74.8922 99.5082 122.3816 139.9012 174.6883 188.5441 203.5477 222.6680 249.5430 261.7805 270.3473 313.7580 323.3470 331.0537 350.2564 366.4359 380.8484 398.5465 417.6013 422.3097 436.6335 471.9572 527.5461 531.2413 540.0078 586.1546 612.0969 622.6481 649.0960 663.9412 686.8344 695.9517 720.6819 742.1393 771.2087 797.4710 830.2518 833.7844 836.8294 859.2355 883.9389 903.0274 906.2663 929.6269 938.0475 963.0856 967.4830 974.8980 977.7043 990.1847 1004.0402 1016.0930 1020.0569 1027.9774 1035.5753 1056.6318 1098.4719 1104.3568 1130.8315 1139.2327 1150.3134 1167.2159 1198.8076 1218.9264 1219.6763 1234.1127 1241.5931 1246.5104 1259.9809 1276.6424 1310.3004 1312.7876 1318.2900 1332.0622 1339.0642 1345.6426 1363.4155 1380.4780 1405.2654 1406.8309 1415.3901 1432.4868 1443.3877 1470.1099 1480.7895 1482.3490 1490.8823 1500.2547 1516.1506 1517.2482 1523.0738 1523.3091 1535.8741 1598.0684 1631.2080 1709.1909 3019.9000 3020.6467 3024.4082 3032.0066 3050.7655 3077.0295 3077.9125 3085.0863 3091.8136 3096.3319 3121.0738 3136.5243 3137.0215 3171.0822 3192.0493 3199.1032 3224.3788 3246.8495 3252.6247 3664.2396 3.8850 7.7201 5.3924 6.1808 4.1583 4.7889 4.0773 6.0660 7.1247 3.8507 2.8326 2.8871 1.2680 3.0620 2.4809 3.4825 1.7261 3.4774 3.7268 3.6599 2.6419 3.8105 2.9366 2.6655 3.9705 2.9480 2.5745 1.4576 2.2253 2.0203 4.1141 4.0685 5.7801 4.0251 4.4237 4.5443 3.8242 4.9110 4.1277 1.8978 1.3113 2.4165 2.1633 1.4409 2.1365 1.4114 2.0791 1.9124 1.5912 1.3908 1.5883 4.8050 1.4025 1.7562 1.9307 2.7518 1.9226 3.7077 3.5547 2.3625 3.7891 3.0473 1.6219 1.7354 1.5062 1.8801 2.0110 1.1595 1.7331 2.0037 3.2554 2.0415 2.5459 1.8294 3.4499 3.2186 1.8396 1.5643 1.6994 1.8513 1.2828 2.9353 1.5985 1.2762 1.3618 1.2893 2.0124 2.2136 1.1074 1.1973 1.1389 1.0605 1.0742 1.1000 1.8576 1.1900 3.3915 6.3578 5.4546 8.0590 1.0541 1.0486 1.0604 1.0416 1.0968 1.0877 1.0815 1.0893 1.1006 1.1002 1.1000 1.0928 1.1012 1.0893 1.0905 1.0941 1.0914 1.0964 1.1011 1.0677 0.0004 0.0049 0.0098 0.0148 0.0137 0.0279 0.0360 0.0700 0.1281 0.0807 0.0691 0.0843 0.0465 0.1236 0.1068 0.2020 0.1063 0.2245 0.2694 0.2895 0.2258 0.3566 0.3017 0.2801 0.4460 0.3869 0.4222 0.2424 0.3823 0.4090 0.9082 0.9293 1.4348 1.0454 1.2295 1.2968 1.1702 1.5936 1.4464 0.7111 0.5326 0.9898 0.8926 0.6268 0.9835 0.6781 1.0061 0.9738 0.8249 0.7601 0.8759 2.6907 0.7899 1.0145 1.1468 1.6739 1.1787 2.3085 2.2461 1.5540 2.6938 2.1897 1.2220 1.3270 1.1743 1.5092 1.7028 1.0150 1.5190 1.7980 2.9568 1.8689 2.3813 1.7567 3.4898 3.2682 1.8836 1.6354 1.7954 1.9751 1.4050 3.2959 1.8599 1.4882 1.6074 1.5588 2.4702 2.8187 1.4307 1.5501 1.4915 1.4064 1.4549 1.4920 2.5389 1.6270 4.7136 9.5664 8.5513 13.8711 5.6641 5.6373 5.7150 5.6417 6.0145 6.0678 6.0365 6.1082 6.1988 6.2146 6.3133 6.3339 6.3851 6.4537 6.5465 6.5974 6.6855 6.8101 6.8633 8.4462 0.0621 0.0187 0.5578 0.1928 0.0464 0.1698 2.5563 0.2926 0.2199 0.4795 1.4658 0.1058 0.2305 1.4154 1.2649 0.8879 1.4531 1.9361 1.9541 0.6604 3.2335 12.5574 0.0782 4.2345 7.8794 0.3277 9.1612 29.7340 27.4174 42.0461 4.7064 2.6351 1.7769 10.8587 43.2905 2.8081 1.5024 8.6103 2.9682 2.5349 1.7701 20.3481 25.8977 11.6797 0.4655 5.6096 4.2923 7.8028 15.0133 2.4672 2.2463 8.0322 0.1582 0.6906 1.7030 6.9423 5.0692 26.4698 17.4336 16.4015 18.6393 64.5819 5.9331 14.5340 10.5278 29.1099 1.3622 2.5602 47.8005 8.6689 1.7734 0.1318 21.1488 19.0862 36.0772 6.0802 3.2126 0.0181 10.3311 2.8123 4.8694 23.4933 5.9772 6.3492 24.2758 30.5084 7.1211 23.1750 8.8543 0.6627 1.1869 4.4566 6.3253 2.9543 64.6596 41.5378 48.8179 0.3816 8.3312 0.2387 2.5958 20.1069 46.8986 27.2571 20.5353 4.1815 48.7310 35.9176 17.4336 44.1041 16.1660 0.5920 10.2519 5.1071 2.3418 2.9268 3.6404 1.5630 1.2240 208.8890 0.02 0.01 -0.06 0.05 0.01 -0.01 -0.02 -0.00 0.02 0.02 0.00 0.02 -0.03 -0.00 0.10 -0.01 0.00 -0.05 0.00 0.00 -0.01 -0.06 0.00 -0.01 -0.01 0.00 0.04 -0.04 0.02 0.07 -0.03 -0.00 -0.01 0.05 0.00 -0.04 -0.02 -0.00 -0.11 0.01 -0.02 0.03 0.00 -0.02 0.03 -0.05 -0.01 0.07 0.02 -0.07 -0.19 0.00 0.04 0.22 0.01 0.00 0.07 0.02 -0.06 -0.22 0.00 0.05 0.19 0.02 -0.00 -0.03 -0.05 0.00 -0.03 -0.11 -0.01 -0.02 0.01 0.02 0.11 -0.10 0.05 0.11 -0.07 -0.01 -0.01 -0.03 0.00 -0.05 0.07 0.00 0.01 0.04 0.00 -0.07 0.10 0.00 -0.07 0.01 -0.00 -0.13 -0.03 -0.00 -0.13 -0.07 -0.00 -0.12 0.04 0.02 0.00 0.01 -0.04 -0.00 -0.09 -0.01 0.07 0.02 -0.12 -0.34 -0.00 0.08 0.40 0.04 0.01 0.08 0.03 -0.10 -0.39 -0.00 0.10 0.35 -0.06 0.18 0.14 -0.08 0.03 0.02 0.12 -0.05 0.03 0.10 -0.02 0.06 0.24 -0.18 -0.04 -0.06 0.02 0.01 -0.03 -0.01 -0.00 -0.03 -0.03 -0.03 -0.04 -0.06 -0.08 -0.03 -0.05 -0.07 0.07 -0.01 0.04 -0.14 0.03 0.00 -0.03 0.06 0.08 -0.04 -0.08 -0.12 -0.04 -0.04 -0.11 0.21 -0.15 -0.03 -0.07 -0.04 -0.17 -0.02 0.01 -0.00 0.17 -0.09 0.01 -0.07 0.03 -0.11 -0.02 0.07 0.07 -0.05 0.08 0.02 -0.05 -0.02 -0.05 0.01 -0.04 -0.01 -0.05 -0.05 -0.07 -0.02 -0.05 -0.08 0.10 -0.04 0.03 0.08 0.04 0.09 -0.16 -0.01 -0.04 -0.18 0.05 0.00 -0.15 0.07 0.03 -0.05 0.09 0.11 -0.06 0.08 0.10 0.03 0.06 0.09 -0.05 0.03 0.03 -0.06 -0.09 -0.13 0.24 -0.20 -0.06 -0.09 -0.07 -0.26 0.01 -0.00 0.04 0.18 -0.09 0.02 -0.10 0.04 -0.15 0.00 0.11 0.16 -0.00 0.05 -0.13 0.03 -0.06 -0.06 -0.00 -0.01 -0.04 0.19 -0.06 -0.08 0.10 -0.14 0.08 -0.03 0.00 -0.01 -0.03 -0.01 -0.03 -0.08 0.05 0.05 -0.03 0.01 0.05 -0.06 0.04 0.09 -0.08 0.04 -0.09 0.02 -0.05 0.03 -0.05 0.02 -0.08 -0.03 0.00 0.07 -0.03 0.03 0.09 -0.05 -0.06 0.06 -0.06 0.07 0.16 -0.00 0.02 0.01 0.25 -0.13 -0.00 -0.05 0.08 0.12 0.00 0.02 -0.04 -0.02 0.05 -0.00 -0.08 0.06 0.09 -0.11 0.10 0.02 -0.05 0.02 0.13 -0.09 0.07 0.11 -0.20 0.06 -0.07 -0.05 0.07 -0.21 0.03 -0.06 0.08 0.01 -0.04 0.06 0.05 -0.09 -0.01 -0.02 -0.03 -0.13 -0.05 0.02 -0.05 -0.09 0.06 -0.11 0.10 -0.08 -0.10 -0.02 -0.02 0.04 -0.20 -0.04 0.11 -0.08 0.08 0.25 0.01 -0.00 -0.03 0.39 -0.19 -0.01 -0.07 0.10 0.16 0.03 0.01 -0.13 -0.04 -0.00 0.12 -0.05 -0.05 -0.04 0.01 0.00 -0.02 0.20 -0.07 -0.07 -0.13 0.12 0.23 0.03 -0.01 0.04 -0.00 -0.00 -0.03 0.07 0.06 0.06 0.01 0.02 -0.06 0.05 0.07 0.00 -0.02 0.02 -0.06 0.02 -0.06 0.09 0.03 -0.03 0.07 -0.01 -0.01 -0.13 -0.00 -0.02 -0.16 -0.18 0.12 0.17 0.01 -0.03 -0.15 -0.02 -0.03 -0.16 0.11 0.01 0.08 0.00 -0.03 -0.09 -0.03 -0.03 -0.10 -0.02 -0.02 -0.04 0.09 0.06 0.11 0.08 0.10 0.04 0.04 0.04 0.03 0.08 0.12 -0.02 -0.07 0.03 -0.05 -0.01 0.02 -0.11 0.02 -0.06 0.07 0.04 -0.06 0.14 -0.01 -0.11 0.08 -0.00 -0.08 0.05 0.06 -0.03 0.13 0.04 0.02 0.04 0.05 -0.08 -0.10 -0.01 -0.03 -0.16 -0.36 0.20 0.25 0.02 -0.03 -0.17 -0.02 -0.03 -0.19 0.22 -0.02 0.08 0.01 -0.03 -0.06 -0.04 -0.03 -0.08 -0.04 -0.05 0.05 -0.02 0.03 0.01 -0.04 0.01 0.04 -0.09 0.06 0.08 0.09 -0.13 -0.04 0.05 -0.01 -0.00 -0.01 0.03 0.01 0.02 0.09 0.08 -0.00 0.08 0.02 0.03 0.16 0.14 -0.05 0.01 0.02 0.22 -0.05 0.03 0.01 -0.08 -0.13 -0.02 0.04 -0.07 -0.02 0.03 -0.08 0.07 -0.11 -0.04 -0.00 0.02 -0.05 -0.04 0.02 -0.09 -0.02 -0.02 0.03 -0.00 -0.00 -0.03 -0.05 -0.01 -0.07 -0.03 -0.02 -0.02 0.08 0.08 0.11 -0.07 0.11 0.04 0.11 0.13 0.25 -0.03 0.29 0.16 -0.07 0.00 0.02 -0.05 0.01 -0.00 0.25 -0.01 0.13 0.25 -0.07 0.03 0.26 -0.12 -0.03 0.05 -0.14 -0.20 0.06 -0.11 -0.13 -0.09 -0.05 -0.16 -0.07 0.04 0.03 -0.04 -0.01 -0.13 0.13 -0.19 -0.09 0.02 0.03 -0.05 -0.06 0.02 -0.12 -0.03 0.01 0.05 0.01 -0.01 0.00 -0.07 -0.02 -0.07 0.02 0.12 0.00 0.09 0.01 0.01 0.07 -0.01 -0.00 -0.01 0.03 0.03 -0.05 0.11 0.02 -0.04 0.02 -0.01 0.03 -0.02 0.01 -0.13 0.03 0.06 -0.01 -0.09 0.05 -0.09 -0.03 0.15 0.07 -0.01 0.02 0.03 -0.01 0.01 -0.06 0.10 -0.15 0.01 -0.17 -0.02 0.01 -0.15 -0.03 0.05 0.05 -0.00 -0.05 -0.10 0.02 0.07 -0.14 -0.10 -0.08 0.10 0.04 -0.05 -0.03 0.03 0.08 -0.08 -0.11 0.01 -0.01 -0.03 -0.17 0.04 0.06 -0.18 0.05 0.03 -0.06 -0.08 0.24 -0.15 0.03 0.18 0.09 -0.01 0.02 0.07 0.01 0.05 0.05 -0.07 0.11 -0.04 0.02 -0.01 0.13 0.00 -0.05 0.05 0.13 -0.20 -0.12 0.13 -0.20 -0.12 0.11 -0.16 0.04 0.02 0.04 0.00 -0.21 -0.07 0.10 0.04 -0.02 -0.10 -0.11 0.06 0.10 -0.18 -0.13 -0.15 0.14 0.06 -0.10 0.02 0.08 0.13 -0.07 -0.16 0.02 -0.01 -0.02 0.04 -0.11 -0.13 0.00 -0.01 -0.08 -0.07 0.18 0.05 0.00 -0.04 0.09 -0.01 0.00 0.02 0.01 -0.03 -0.09 0.02 0.06 0.04 0.01 -0.02 -0.05 0.01 0.01 -0.02 -0.03 0.01 -0.16 -0.10 -0.10 0.10 0.01 0.05 0.08 0.02 -0.01 -0.03 0.01 0.00 0.01 0.04 -0.15 -0.05 0.02 0.00 0.01 0.01 0.01 0.03 -0.06 0.16 0.15 0.02 0.00 0.02 0.01 0.01 0.04 0.02 0.01 0.02 -0.00 0.08 0.12 0.06 0.14 0.01 -0.04 -0.02 -0.02 0.05 0.01 -0.05 -0.15 0.02 -0.14 -0.01 0.04 -0.27 -0.12 -0.18 0.08 -0.14 -0.06 0.19 -0.11 -0.14 0.08 -0.03 -0.00 0.07 0.00 0.07 0.19 0.06 0.13 0.05 0.01 -0.11 -0.17 0.02 -0.01 -0.04 0.10 -0.32 -0.14 0.02 0.00 0.01 0.01 0.01 0.03 -0.11 0.30 0.28 0.02 0.00 0.02 0.01 0.01 0.05 -0.07 -0.06 -0.10 -0.13 0.01 0.00 0.20 -0.07 -0.02 0.10 -0.05 0.00 -0.02 0.16 0.03 0.02 -0.04 -0.02 0.00 -0.04 -0.05 0.03 0.01 0.01 -0.01 -0.05 -0.14 0.03 0.05 0.00 0.18 -0.06 0.05 0.08 -0.09 0.02 0.01 -0.04 -0.07 -0.03 -0.04 -0.17 -0.05 0.02 -0.01 0.13 0.06 0.00 -0.06 0.05 0.07 -0.08 0.05 0.10 -0.03 0.09 0.03 -0.07 0.05 0.14 -0.09 0.06 0.17 -0.08 0.04 0.12 0.06 0.01 0.03 0.00 0.02 -0.01 0.07 -0.00 0.11 0.00 0.18 0.00 0.33 -0.11 0.01 0.17 -0.02 0.22 0.10 -0.11 0.07 0.07 -0.08 0.04 0.12 -0.13 -0.03 0.04 -0.07 -0.11 0.01 -0.04 -0.04 -0.01 0.00 -0.10 -0.08 -0.00 0.00 -0.04 -0.10 -0.24 0.18 0.08 -0.00 -0.06 0.04 0.04 -0.08 0.05 0.08 -0.13 0.13 0.04 -0.06 0.05 0.15 -0.10 0.06 0.20 -0.17 -0.03 0.04 0.26 -0.11 -0.00 0.10 0.03 -0.06 0.08 0.09 -0.02 0.05 0.09 0.01 0.05 -0.05 0.01 0.08 -0.05 0.07 0.01 -0.13 -0.01 0.03 -0.07 0.16 0.02 -0.17 0.01 0.06 0.04 -0.05 0.08 0.00 -0.03 0.05 -0.06 -0.00 -0.05 0.06 0.19 -0.07 0.09 0.05 0.09 0.04 -0.04 -0.09 0.07 -0.04 -0.11 0.05 -0.02 0.04 0.12 0.02 -0.08 0.03 -0.12 -0.12 0.02 -0.09 -0.13 0.02 -0.10 -0.04 -0.12 -0.04 0.04 -0.14 0.01 -0.04 -0.12 -0.11 0.04 -0.31 0.01 -0.02 0.10 -0.02 0.08 0.07 -0.13 0.09 0.06 -0.05 0.12 -0.02 -0.07 0.07 0.02 -0.02 0.05 -0.07 -0.01 0.06 -0.06 0.00 0.05 -0.05 -0.01 0.19 -0.10 -0.01 -0.13 0.09 0.27 0.12 -0.00 -0.06 -0.10 0.07 -0.02 -0.14 0.08 -0.01 0.01 0.17 0.06 -0.05 0.00 -0.15 -0.12 0.02 -0.11 0.01 -0.08 0.04 0.05 -0.03 -0.02 0.03 -0.09 0.04 -0.02 -0.13 0.03 -0.05 -0.01 -0.01 -0.03 0.01 -0.01 0.04 -0.05 -0.03 -0.05 0.02 0.02 0.03 -0.03 -0.00 -0.02 -0.00 0.05 0.06 -0.10 0.04 -0.11 -0.08 0.06 -0.02 0.20 -0.09 0.01 0.05 0.03 0.02 0.13 -0.01 0.01 -0.03 0.03 0.05 0.12 -0.03 0.00 0.12 -0.04 -0.06 -0.08 -0.01 0.06 0.07 -0.06 -0.01 0.08 -0.06 0.03 0.05 -0.06 -0.05 0.02 0.03 -0.07 0.02 0.01 -0.02 -0.03 0.10 -0.06 0.02 0.07 0.10 -0.14 0.01 0.05 -0.09 0.10 -0.11 -0.31 0.16 -0.32 0.03 0.09 0.05 -0.02 -0.02 0.15 0.35 -0.09 -0.20 0.29 -0.21 -0.02 0.15 -0.06 0.00 -0.02 0.02 -0.06 0.03 0.02 0.03 0.01 0.04 0.07 0.13 -0.03 -0.02 0.14 -0.04 -0.10 -0.09 -0.03 0.08 0.06 -0.07 -0.03 0.06 -0.08 -0.03 -0.01 -0.03 0.16 0.01 -0.03 -0.03 -0.01 0.01 -0.02 -0.02 -0.00 -0.02 -0.03 -0.00 0.03 0.01 -0.02 0.05 -0.00 -0.01 0.03 -0.07 -0.05 0.03 0.01 0.03 0.05 0.10 0.14 -0.01 -0.02 -0.02 -0.08 0.09 -0.07 0.06 0.03 0.12 0.00 -0.05 -0.10 -0.01 -0.02 -0.06 -0.03 -0.01 0.01 -0.02 -0.00 -0.01 -0.02 -0.01 -0.01 -0.01 -0.03 -0.01 -0.03 0.02 0.06 -0.02 0.01 0.04 -0.04 0.02 0.05 0.11 -0.11 -0.22 -0.11 -0.23 -0.00 0.25 0.10 0.29 -0.10 0.27 0.23 -0.04 -0.03 -0.02 -0.01 -0.04 -0.05 -0.08 -0.08 -0.00 -0.28 0.15 -0.17 0.07 0.25 -0.08 -0.03 0.02 0.17 0.07 0.03 0.18 0.16 0.03 0.13 0.07 0.04 0.03 -0.02 -0.13 -0.20 -0.05 -0.00 0.01 -0.03 -0.01 -0.02 -0.01 -0.01 -0.03 0.00 -0.05 -0.02 -0.03 0.03 0.09 -0.02 0.01 0.05 -0.05 0.02 -0.04 0.11 0.01 -0.01 -0.07 0.02 0.05 -0.05 -0.02 0.03 -0.01 -0.05 -0.01 0.05 0.04 0.03 0.06 0.02 0.01 0.06 0.08 0.04 0.04 -0.01 -0.02 0.04 -0.08 -0.11 -0.01 -0.01 0.01 0.07 0.00 0.06 0.06 0.14 -0.04 0.02 -0.02 -0.06 -0.01 -0.05 -0.06 -0.05 0.00 0.03 -0.03 -0.03 -0.02 -0.03 -0.04 -0.00 -0.01 -0.06 -0.02 -0.04 -0.01 0.06 -0.04 -0.01 0.08 -0.05 -0.00 0.08 -0.02 0.11 0.18 0.19 0.20 0.01 -0.13 -0.08 -0.24 0.17 -0.22 -0.19 -0.04 -0.02 0.01 -0.02 -0.06 -0.02 0.05 0.15 -0.05 0.24 -0.06 0.14 -0.09 -0.11 0.10 0.21 0.37 0.03 -0.09 0.19 -0.31 0.04 -0.06 0.06 0.04 0.03 0.03 0.01 0.00 -0.02 -0.07 0.03 0.05 -0.04 -0.04 -0.04 -0.03 -0.04 -0.03 0.03 -0.10 -0.05 -0.04 -0.01 0.07 -0.03 0.00 0.11 0.01 -0.02 0.01 -0.03 -0.05 0.00 0.02 -0.02 -0.03 0.01 0.00 -0.02 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.02 -0.02 0.01 -0.00 -0.01 0.02 -0.01 0.02 0.06 0.00 -0.00 -0.01 -0.01 0.05 -0.04 -0.01 0.01 0.01 -0.01 -0.02 -0.01 0.00 0.01 -0.01 0.01 -0.02 -0.01 0.00 0.01 -0.01 0.01 0.02 -0.01 -0.00 0.02 0.01 0.01 0.02 0.00 0.01 0.02 -0.01 0.01 0.02 -0.00 0.00 -0.03 -0.02 -0.06 -0.05 0.01 0.04 0.02 0.10 -0.05 0.07 0.08 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.03 0.46 -0.32 0.41 -0.12 0.04 -0.39 -0.11 0.13 0.08 0.26 0.14 -0.10 0.03 -0.28 -0.00 -0.23 0.15 -0.01 -0.06 -0.03 -0.02 -0.04 -0.04 0.01 -0.04 -0.02 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.04 0.03 0.00 0.03 0.01 0.01 0.02 -0.01 -0.04 0.08 0.00 -0.11 -0.02 -0.01 0.02 -0.03 -0.03 0.01 -0.01 -0.02 -0.01 -0.00 0.01 0.05 -0.02 -0.01 0.00 -0.00 -0.03 0.08 -0.04 -0.04 -0.00 0.07 -0.02 0.07 0.10 0.01 0.01 -0.02 -0.01 0.01 -0.03 -0.01 0.08 0.12 -0.01 0.01 0.09 0.07 -0.02 -0.01 0.11 0.01 -0.03 -0.02 -0.00 -0.04 0.07 -0.05 -0.04 0.06 -0.01 0.01 0.01 -0.01 -0.10 -0.04 -0.03 -0.11 -0.04 -0.03 -0.11 -0.07 0.17 -0.07 -0.14 0.03 -0.14 -0.01 0.19 0.12 0.06 0.02 0.20 0.04 0.04 -0.03 -0.02 0.01 -0.01 0.02 0.02 -0.16 0.07 -0.12 0.03 -0.02 0.12 0.03 -0.05 0.24 0.45 0.14 -0.13 0.20 -0.32 0.14 -0.14 0.15 -0.05 -0.04 -0.06 0.08 0.11 0.07 0.01 -0.05 -0.03 0.01 -0.03 0.09 -0.07 -0.02 0.09 -0.02 0.03 0.03 0.02 -0.13 -0.06 -0.05 -0.12 -0.06 -0.02 0.04 0.01 0.10 0.04 -0.08 0.05 -0.07 0.04 -0.00 -0.11 0.04 -0.03 0.01 -0.01 -0.01 0.04 -0.03 0.01 0.02 -0.07 -0.01 0.12 0.01 0.00 0.03 -0.03 -0.01 0.06 -0.00 0.04 -0.05 0.00 -0.03 0.02 -0.01 -0.00 -0.04 0.05 0.01 0.04 0.03 -0.01 0.01 0.07 0.04 -0.01 0.02 0.00 -0.01 0.04 -0.03 -0.01 0.04 -0.05 -0.05 -0.01 0.00 -0.05 -0.03 -0.02 -0.05 -0.03 -0.01 -0.06 -0.05 -0.04 0.14 0.11 -0.01 0.21 -0.03 -0.05 0.03 0.02 0.00 0.07 -0.01 0.06 -0.13 -0.03 0.04 -0.02 0.05 -0.06 0.30 -0.24 0.29 -0.10 0.10 -0.34 -0.15 0.10 -0.18 -0.31 -0.03 0.16 -0.10 0.34 0.01 0.16 -0.07 0.03 0.07 -0.01 0.04 0.04 0.01 0.08 0.02 0.03 0.01 0.00 0.06 -0.04 0.01 0.05 -0.11 -0.06 -0.03 0.02 -0.07 -0.05 -0.03 -0.06 -0.05 -0.02 -0.03 0.01 -0.06 0.06 0.05 0.04 -0.13 -0.13 0.03 -0.07 -0.09 -0.09 -0.04 0.05 0.02 0.06 0.04 0.00 0.01 0.02 -0.00 0.09 0.07 0.00 -0.03 0.00 -0.01 -0.05 -0.01 -0.00 -0.04 -0.03 0.14 0.19 -0.04 0.03 0.05 0.07 0.01 -0.03 0.02 0.00 -0.02 0.03 -0.03 -0.15 -0.07 -0.03 0.01 0.02 0.02 -0.01 0.02 -0.05 0.00 0.03 -0.02 0.04 -0.03 0.02 0.03 -0.02 -0.00 0.04 -0.04 -0.09 0.12 0.18 0.07 0.20 0.03 -0.12 -0.07 -0.05 0.06 -0.10 -0.06 0.00 0.03 -0.01 0.01 -0.02 -0.04 0.19 0.12 0.15 -0.03 0.21 -0.27 0.37 0.38 -0.09 -0.02 0.01 0.07 0.06 0.05 0.15 0.07 0.09 0.05 0.01 0.05 0.05 0.01 -0.03 0.02 -0.04 -0.23 -0.10 -0.06 -0.01 0.03 0.04 -0.02 0.03 -0.08 0.09 0.11 -0.04 0.05 -0.04 0.06 0.04 -0.02 0.00 0.02 -0.02 -0.06 -0.09 0.03 0.01 -0.02 -0.00 -0.00 -0.02 0.00 -0.01 -0.00 0.00 0.02 0.01 0.01 0.01 -0.01 0.04 0.01 -0.06 -0.01 0.02 0.02 0.04 0.02 -0.01 0.01 -0.02 0.01 0.00 0.01 0.05 -0.02 0.03 0.12 -0.06 0.00 0.03 0.02 0.01 0.01 -0.04 0.00 -0.02 -0.00 0.03 -0.00 -0.03 -0.02 0.00 -0.04 -0.02 -0.01 0.01 0.01 -0.02 0.03 -0.02 -0.02 0.03 -0.01 -0.02 0.06 0.04 -0.07 -0.10 -0.01 -0.14 0.02 0.04 0.02 -0.02 0.01 -0.03 0.02 -0.08 0.04 0.02 0.00 0.04 -0.07 -0.00 0.18 -0.12 0.15 -0.01 0.00 -0.12 -0.00 0.05 0.01 -0.26 -0.32 0.06 0.15 0.40 0.01 0.55 -0.31 -0.01 -0.11 -0.06 -0.01 0.04 0.04 0.01 -0.02 -0.01 0.05 0.00 -0.05 -0.03 0.01 -0.07 -0.03 0.00 0.01 0.03 -0.04 0.04 -0.05 -0.03 0.04 0.06 0.07 -0.04 0.06 -0.04 0.01 0.07 -0.07 -0.03 0.04 -0.06 -0.01 -0.03 0.03 0.01 -0.04 -0.00 0.02 -0.03 0.00 0.04 -0.03 0.04 0.04 -0.01 0.05 0.06 -0.03 -0.00 -0.01 -0.03 0.01 -0.00 -0.02 0.05 -0.01 -0.08 -0.10 0.00 -0.03 0.10 0.03 -0.01 0.08 -0.10 0.05 -0.04 -0.02 0.09 0.01 -0.08 -0.07 0.04 -0.11 -0.03 0.01 0.01 0.06 -0.09 0.07 -0.09 -0.06 0.07 -0.00 -0.09 0.15 -0.04 0.05 0.11 -0.01 0.10 0.01 -0.12 0.01 -0.08 0.01 -0.11 -0.03 -0.10 0.02 0.01 -0.00 0.08 -0.06 -0.01 -0.09 0.10 -0.20 0.10 -0.12 0.14 0.19 -0.05 -0.03 0.11 0.13 -0.08 -0.13 -0.31 -0.14 -0.36 0.14 0.03 -0.03 0.00 -0.08 0.11 0.07 0.09 -0.05 -0.04 0.20 0.05 -0.13 -0.14 0.07 -0.20 -0.09 0.04 0.03 0.13 -0.14 0.09 -0.19 -0.11 0.09 -0.01 0.03 -0.01 0.05 0.23 0.13 -0.04 -0.01 -0.15 0.03 0.07 -0.12 -0.04 -0.05 0.05 0.00 -0.03 -0.02 0.03 -0.01 0.03 -0.00 -0.04 -0.01 0.03 -0.03 0.02 0.01 -0.02 0.04 0.06 -0.05 0.05 -0.08 -0.12 0.05 0.00 -0.00 -0.04 0.01 0.01 0.01 0.01 0.04 -0.02 -0.09 -0.09 -0.08 0.04 0.03 -0.01 -0.03 0.03 -0.02 0.04 0.04 0.01 0.03 -0.03 0.01 -0.04 -0.03 0.01 -0.01 -0.05 0.02 0.01 -0.04 -0.04 -0.03 -0.06 -0.00 0.04 -0.02 0.06 -0.02 -0.00 0.06 0.29 0.04 0.06 0.00 -0.16 0.22 -0.13 -0.02 -0.13 0.09 -0.16 0.23 -0.31 -0.28 0.11 0.01 -0.09 -0.10 0.01 0.00 0.06 -0.01 0.09 -0.09 0.07 0.24 0.26 -0.03 -0.01 0.00 -0.16 -0.18 -0.10 0.08 0.04 -0.02 -0.07 0.05 -0.04 0.10 0.10 0.09 0.07 -0.06 0.02 -0.07 -0.05 0.01 -0.00 -0.05 -0.00 0.04 0.11 0.03 0.10 -0.10 -0.01 0.05 -0.10 -0.00 -0.04 0.05 -0.01 0.01 -0.02 -0.02 -0.05 0.05 0.03 0.05 -0.03 -0.06 -0.04 0.14 0.10 0.03 0.07 -0.05 -0.13 0.07 -0.02 -0.04 -0.11 0.04 0.01 0.01 -0.03 -0.00 0.05 0.07 -0.01 -0.10 -0.01 0.08 -0.04 -0.02 -0.06 -0.08 -0.05 0.06 -0.08 -0.02 -0.06 0.00 0.00 -0.06 0.07 0.02 0.06 0.05 -0.00 0.00 0.10 0.05 0.12 -0.05 -0.12 0.04 -0.10 -0.02 0.05 0.16 -0.17 0.05 -0.01 -0.05 -0.39 0.11 0.02 -0.05 0.25 -0.26 -0.06 -0.11 -0.01 0.01 -0.10 0.19 -0.12 -0.22 0.04 0.05 0.06 -0.02 -0.04 0.03 -0.08 0.01 -0.02 -0.02 0.05 0.12 0.09 0.07 0.08 0.09 0.14 -0.04 -0.04 -0.13 -0.12 -0.10 0.13 -0.13 -0.00 -0.14 0.04 0.01 -0.13 0.12 0.01 0.14 0.09 -0.02 0.07 0.01 0.00 0.03 0.06 -0.04 0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.04 0.02 -0.03 -0.03 0.02 -0.03 -0.09 -0.08 -0.07 -0.05 -0.03 -0.02 -0.08 -0.04 -0.01 -0.02 0.01 -0.02 0.19 -0.08 0.05 0.02 0.09 0.14 -0.06 -0.01 -0.01 -0.04 0.04 -0.02 0.01 0.01 0.01 -0.00 0.01 -0.00 -0.04 0.04 -0.02 -0.01 -0.01 -0.01 0.00 -0.03 0.01 -0.03 -0.00 -0.00 0.02 -0.03 0.01 -0.10 -0.10 -0.24 -0.11 -0.23 -0.00 -0.01 -0.03 0.02 -0.14 -0.01 0.02 -0.06 -0.02 -0.03 -0.01 0.05 -0.05 0.26 0.06 0.21 0.34 -0.14 0.10 0.23 -0.28 -0.08 -0.08 0.14 0.24 -0.03 0.13 0.24 0.24 0.09 0.17 -0.04 0.09 0.03 -0.09 -0.02 -0.01 0.02 0.02 0.01 0.04 0.03 -0.00 -0.05 0.05 -0.01 -0.01 -0.02 -0.02 0.01 -0.03 0.02 -0.08 -0.03 -0.00 -0.09 -0.01 -0.03 -0.10 -0.01 -0.06 -0.03 0.02 0.01 -0.02 0.03 0.00 0.01 -0.02 0.00 0.01 0.01 -0.09 0.02 0.00 -0.08 -0.08 0.06 -0.03 0.03 -0.00 0.03 -0.06 0.00 0.06 0.08 -0.05 0.01 0.03 -0.05 -0.05 0.06 0.00 0.08 0.07 0.07 0.21 0.08 -0.04 -0.00 -0.02 0.01 0.01 0.05 -0.04 -0.13 0.07 -0.08 -0.11 0.01 -0.00 0.00 0.02 0.05 0.03 0.04 0.00 0.03 -0.03 0.08 0.17 -0.12 0.08 0.04 -0.13 0.14 -0.08 -0.04 -0.04 0.13 -0.11 0.04 0.09 0.28 -0.12 -0.04 0.03 -0.12 0.21 0.04 -0.07 -0.01 0.03 -0.04 -0.01 0.05 -0.10 -0.09 -0.08 0.06 0.21 0.08 -0.01 0.11 0.21 -0.08 0.14 0.02 -0.04 -0.12 0.09 0.17 0.35 -0.03 0.01 0.01 0.01 -0.10 -0.26 0.06 -0.09 -0.21 0.04 -0.01 -0.00 0.03 0.03 -0.02 0.11 0.02 -0.04 0.00 0.00 0.00 0.02 -0.02 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.02 0.02 -0.01 0.02 0.01 0.01 0.02 -0.02 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.02 -0.06 -0.20 -0.02 0.06 0.20 0.00 0.00 0.00 -0.02 0.05 0.20 0.01 -0.06 -0.19 0.00 -0.01 -0.00 0.01 -0.01 -0.02 0.02 -0.03 0.01 -0.00 0.02 -0.05 -0.00 -0.02 -0.02 0.10 -0.02 0.00 0.00 -0.03 0.09 0.01 0.02 0.04 0.01 0.01 0.01 0.02 0.01 0.01 -0.02 -0.02 -0.02 -0.01 -0.01 -0.01 -0.05 0.00 -0.01 -0.01 -0.02 -0.02 0.01 0.01 -0.02 -0.01 -0.02 -0.01 0.05 -0.12 -0.42 -0.04 0.12 0.45 0.01 0.00 0.01 -0.04 0.11 0.43 0.03 -0.12 -0.40 0.06 -0.02 0.01 0.09 -0.08 -0.06 -0.02 0.01 -0.04 0.00 0.02 -0.04 -0.01 -0.03 0.02 -0.04 0.05 0.06 -0.03 0.03 -0.00 0.03 -0.03 -0.02 -0.05 0.07 -0.01 0.01 0.08 -0.06 0.10 -0.05 0.08 0.03 0.06 0.08 -0.09 0.00 -0.02 -0.05 0.08 0.03 -0.06 -0.05 0.01 -0.04 -0.03 -0.02 -0.07 -0.05 0.01 -0.01 -0.05 -0.04 0.01 0.01 0.01 -0.05 0.00 -0.03 0.00 0.04 0.02 0.01 0.05 0.03 0.11 -0.07 -0.19 0.04 -0.21 0.07 0.05 0.12 -0.09 0.03 0.09 -0.08 0.49 -0.14 0.00 0.02 -0.14 0.48 0.06 0.08 0.14 0.05 0.04 0.06 0.07 0.03 0.04 -0.05 -0.06 -0.08 -0.05 -0.02 -0.03 -0.19 0.03 -0.05 -0.02 -0.06 -0.09 0.02 0.12 0.07 -0.07 -0.08 -0.03 -0.09 -0.06 0.02 0.06 -0.10 -0.08 0.05 0.03 0.04 -0.11 0.03 -0.10 0.02 0.05 0.03 0.16 -0.02 0.02 -0.01 -0.01 0.02 -0.01 0.02 -0.00 -0.00 0.03 -0.00 0.02 0.00 -0.00 0.08 -0.09 -0.09 -0.00 -0.04 -0.00 0.03 0.10 0.05 -0.05 -0.01 0.05 0.01 -0.00 0.04 0.02 -0.02 0.03 -0.05 -0.06 -0.16 0.16 0.03 -0.00 -0.12 0.04 0.04 -0.14 -0.01 0.01 -0.01 0.02 0.00 -0.12 -0.05 -0.03 -0.09 0.01 -0.01 0.02 0.01 -0.00 -0.11 -0.02 0.01 -0.06 0.04 -0.03 0.01 0.02 0.02 -0.03 0.15 0.37 0.02 0.40 -0.10 -0.07 -0.02 0.00 0.07 -0.03 0.00 0.09 0.01 0.03 0.00 -0.03 0.09 -0.09 -0.12 -0.27 -0.12 -0.04 -0.19 -0.10 0.05 -0.07 0.15 0.06 0.03 0.06 0.10 0.11 0.32 0.09 -0.02 -0.02 -0.00 0.04 -0.14 0.03 0.05 -0.02 0.03 0.01 -0.11 -0.06 -0.06 -0.04 -0.03 -0.01 0.04 0.00 -0.01 -0.18 0.03 -0.02 -0.10 0.01 -0.06 -0.04 0.01 0.00 0.02 -0.11 0.04 -0.00 -0.00 -0.02 0.01 0.00 -0.03 -0.01 -0.01 0.01 -0.01 -0.01 -0.09 -0.02 0.03 0.06 -0.07 0.05 -0.06 0.01 0.16 0.13 -0.08 0.04 -0.04 0.00 0.02 0.12 0.01 -0.09 -0.07 0.04 0.01 0.04 0.02 -0.02 -0.10 0.04 -0.02 -0.08 -0.01 -0.03 -0.02 0.03 0.02 0.06 0.03 0.00 0.04 -0.00 0.01 0.01 0.03 0.01 0.01 0.02 0.00 0.03 0.02 -0.03 -0.11 -0.06 0.06 0.03 -0.10 0.13 -0.11 -0.21 0.15 -0.29 -0.02 -0.27 -0.05 0.21 0.02 0.09 -0.03 0.01 0.32 0.02 -0.13 -0.02 -0.01 -0.06 -0.00 0.04 -0.14 -0.12 -0.07 0.05 0.13 0.03 0.03 0.11 0.19 -0.00 0.07 0.18 -0.16 -0.12 0.04 -0.10 -0.22 -0.01 -0.06 -0.03 0.01 0.06 0.21 0.01 0.04 0.16 -0.00 0.04 0.04 0.03 0.03 0.13 0.02 0.04 0.17 -0.04 0.00 -0.01 0.06 -0.02 0.03 0.00 0.00 -0.01 0.01 0.02 -0.00 0.01 0.01 0.00 -0.06 -0.10 0.01 -0.06 -0.04 0.03 0.02 -0.01 0.04 -0.04 0.03 -0.02 -0.00 0.05 -0.04 -0.03 0.01 0.04 0.02 -0.04 -0.08 -0.06 0.04 0.03 -0.01 -0.05 -0.09 0.01 0.05 0.17 -0.00 0.01 -0.00 0.04 0.00 0.00 0.04 0.01 0.00 0.02 0.01 -0.00 0.05 -0.02 -0.06 0.04 -0.02 -0.06 0.00 0.04 0.16 0.10 -0.01 0.16 0.03 0.08 -0.01 -0.05 0.08 -0.13 0.07 -0.02 -0.09 -0.00 0.03 0.04 -0.03 0.03 0.07 0.06 0.06 -0.03 0.06 -0.09 -0.22 0.07 0.03 -0.07 0.01 0.07 0.00 -0.20 0.13 0.12 0.05 0.13 -0.01 -0.26 0.06 0.15 0.03 -0.15 -0.25 -0.01 0.01 -0.00 0.08 -0.06 -0.26 0.06 -0.06 -0.26 0.03 0.01 -0.00 0.09 -0.11 -0.33 0.07 -0.10 -0.35 0.00 -0.00 0.00 0.02 -0.02 0.08 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.05 -0.01 -0.02 0.00 -0.03 0.04 0.01 0.04 -0.04 0.00 -0.05 -0.09 0.03 0.02 -0.03 -0.02 0.01 0.03 0.01 -0.02 -0.03 -0.07 0.02 0.02 0.00 0.02 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.02 0.04 0.04 0.03 0.09 -0.06 0.13 -0.04 0.14 -0.04 0.21 0.01 -0.09 0.07 0.06 -0.00 -0.00 -0.08 0.04 0.02 0.04 0.05 -0.04 -0.03 0.04 -0.06 -0.07 -0.08 0.03 0.04 -0.08 0.03 0.05 -0.02 0.03 0.02 0.83 -0.22 -0.16 0.05 0.12 0.12 0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.02 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.03 -0.00 -0.00 -0.05 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.02 -0.00 -0.01 -0.01 0.00 0.07 0.12 -0.02 0.05 0.06 -0.00 -0.03 0.01 -0.06 0.03 0.02 0.06 -0.03 -0.03 0.01 0.01 0.02 0.01 -0.02 0.03 0.07 0.09 -0.04 -0.03 0.01 -0.08 -0.07 -0.02 0.04 0.12 0.00 -0.02 -0.00 -0.03 0.02 0.00 -0.03 0.01 0.00 -0.02 -0.01 0.01 -0.02 -0.01 -0.05 -0.03 -0.01 -0.05 -0.03 0.03 0.11 -0.10 0.01 -0.22 -0.06 -0.10 -0.00 -0.09 0.02 -0.10 -0.01 -0.18 0.02 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.06 -0.11 0.03 -0.08 0.10 0.25 -0.06 -0.06 0.06 -0.00 -0.07 0.01 0.24 -0.13 -0.11 -0.01 -0.14 0.01 0.44 -0.14 -0.21 0.02 -0.17 -0.21 0.01 -0.03 -0.01 -0.01 -0.03 -0.18 -0.03 -0.02 -0.20 -0.03 0.00 0.01 0.00 -0.07 -0.26 -0.02 -0.08 -0.27 -0.01 0.00 -0.00 -0.04 0.10 -0.10 -0.01 -0.00 0.01 -0.01 0.01 0.02 0.02 0.01 -0.01 0.00 -0.09 0.06 -0.04 -0.01 -0.08 0.03 -0.08 0.13 -0.05 0.06 0.07 -0.02 0.01 0.03 0.01 -0.05 -0.04 0.00 0.01 -0.01 0.00 0.01 0.00 -0.02 -0.03 0.01 0.00 0.01 -0.02 0.00 0.02 0.01 0.01 0.01 -0.01 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.01 0.11 -0.10 0.08 -0.00 -0.13 0.15 -0.17 0.08 -0.19 0.14 -0.18 -0.08 0.11 -0.13 -0.08 -0.00 -0.04 0.07 -0.00 0.08 -0.06 -0.00 -0.03 -0.17 0.01 0.15 0.06 0.12 0.03 -0.06 -0.11 0.07 0.02 0.00 0.07 -0.04 0.71 -0.07 -0.18 0.01 -0.08 -0.09 0.01 0.04 0.01 0.02 0.02 0.02 0.01 0.02 0.01 -0.01 -0.01 -0.01 0.02 0.00 0.05 0.00 0.00 0.04 -0.05 0.00 -0.01 0.08 -0.03 -0.02 -0.02 0.02 0.00 0.03 -0.04 -0.03 -0.02 0.01 0.02 0.10 -0.02 0.05 -0.07 0.05 0.03 -0.07 -0.05 0.09 -0.15 -0.07 -0.21 -0.15 0.03 -0.05 -0.07 0.10 0.11 -0.02 0.03 0.04 0.24 -0.04 -0.05 -0.08 0.01 0.00 -0.02 0.00 -0.01 0.02 -0.04 -0.02 0.06 -0.03 0.01 0.05 0.02 -0.01 -0.01 0.01 0.01 0.07 -0.02 0.01 0.06 0.02 -0.00 0.06 -0.00 0.01 -0.07 -0.07 -0.02 -0.12 -0.11 0.11 -0.09 -0.08 0.16 -0.11 0.32 -0.12 0.03 0.09 0.10 -0.08 0.13 0.22 -0.09 -0.06 -0.13 -0.10 0.07 0.05 -0.10 0.14 0.15 0.30 -0.03 -0.08 0.20 -0.02 -0.07 0.21 -0.03 -0.06 0.09 -0.03 -0.04 -0.03 0.17 0.20 0.06 -0.10 -0.06 0.12 -0.01 0.00 0.08 0.01 0.03 -0.02 0.02 0.02 0.07 -0.01 0.01 0.04 0.02 0.01 -0.02 -0.01 -0.00 -0.01 0.01 -0.13 -0.02 0.02 0.01 0.03 -0.04 -0.03 -0.02 0.01 0.01 -0.02 0.05 -0.05 -0.13 0.07 -0.01 0.14 0.04 -0.07 -0.06 -0.09 0.08 0.16 -0.10 0.04 -0.08 0.10 0.11 -0.01 -0.00 -0.01 -0.04 0.02 -0.01 -0.06 -0.13 0.06 -0.00 0.07 -0.02 0.02 -0.03 -0.02 -0.06 0.10 -0.04 0.12 0.11 -0.03 -0.02 0.01 0.01 -0.07 -0.08 0.02 0.10 -0.07 0.04 0.02 -0.06 0.01 -0.02 0.10 0.09 0.25 0.19 -0.11 0.33 -0.08 0.14 0.04 0.08 0.11 0.18 0.01 0.05 -0.11 0.15 0.41 0.01 -0.03 0.04 0.00 0.01 0.07 0.01 -0.10 -0.07 -0.04 0.02 -0.01 -0.05 0.03 0.00 -0.03 0.03 -0.02 0.02 -0.00 -0.15 -0.14 -0.15 0.06 0.07 -0.09 -0.06 0.02 0.14 -0.03 0.08 0.15 -0.03 -0.03 0.02 0.02 -0.01 -0.11 0.06 0.02 -0.11 0.06 -0.01 0.02 -0.01 -0.02 0.02 -0.10 -0.06 0.05 0.04 0.05 -0.05 -0.03 -0.03 0.03 0.03 -0.01 0.02 -0.02 -0.07 0.04 -0.02 0.08 -0.00 -0.02 0.00 -0.05 0.06 0.11 -0.11 0.07 -0.06 0.06 0.07 -0.00 -0.01 -0.02 -0.04 0.01 0.00 -0.02 -0.05 -0.01 -0.02 -0.08 0.02 0.05 -0.05 -0.04 0.21 -0.18 0.08 -0.23 -0.12 0.03 -0.01 0.00 0.01 0.25 0.13 -0.01 -0.20 0.18 -0.07 0.02 0.08 -0.02 -0.04 0.04 0.09 0.14 0.10 -0.05 0.18 -0.11 0.12 0.02 -0.05 0.12 0.11 -0.00 0.03 -0.09 0.07 0.27 0.01 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.05 -0.05 -0.03 0.02 -0.01 -0.06 0.03 0.01 -0.03 0.03 -0.01 0.02 0.01 -0.10 -0.05 -0.08 -0.04 0.17 -0.16 -0.12 0.15 -0.21 0.06 -0.12 -0.19 0.03 -0.00 -0.00 0.00 0.17 0.17 -0.06 -0.13 0.20 -0.10 -0.03 0.01 -0.01 0.01 -0.00 -0.00 0.19 -0.16 -0.14 -0.11 0.08 0.06 0.10 -0.14 -0.08 0.01 0.04 -0.02 -0.06 0.01 0.02 0.03 0.02 -0.04 -0.06 -0.02 0.04 0.03 -0.03 0.01 0.02 0.04 -0.00 -0.00 0.02 0.02 0.03 -0.01 -0.02 -0.08 -0.02 0.00 -0.04 -0.01 -0.00 -0.15 0.12 0.11 0.06 -0.06 0.03 -0.01 0.02 -0.00 -0.03 0.01 0.02 0.08 -0.01 0.01 0.00 0.06 -0.02 0.06 0.01 0.01 -0.04 0.04 -0.01 0.07 0.06 -0.05 0.10 -0.01 0.03 -0.01 0.03 0.03 0.06 0.04 -0.00 0.06 0.18 0.05 -0.01 -0.02 0.02 -0.01 0.04 0.09 -0.01 -0.03 -0.00 0.02 -0.00 -0.00 0.05 -0.02 -0.03 0.02 -0.02 -0.01 0.06 -0.02 -0.04 -0.09 -0.03 0.00 -0.52 0.45 0.36 0.10 -0.04 0.03 0.05 -0.02 0.02 -0.11 0.09 0.09 0.05 0.01 -0.00 -0.02 0.05 -0.02 0.07 -0.00 0.01 0.01 0.00 -0.05 0.00 0.01 -0.00 0.08 -0.10 -0.06 0.11 -0.13 -0.08 -0.00 -0.05 0.03 -0.02 0.05 0.00 -0.00 -0.03 0.05 0.05 -0.01 -0.07 -0.03 0.02 -0.02 -0.06 0.10 0.08 -0.00 -0.03 -0.03 -0.01 -0.00 0.01 0.16 -0.07 0.03 0.13 -0.00 0.02 -0.06 0.05 0.04 -0.03 0.13 -0.05 -0.08 -0.09 0.01 -0.12 0.11 0.08 -0.04 0.11 -0.03 -0.10 -0.08 0.02 -0.15 0.00 -0.03 0.07 -0.05 0.03 -0.03 -0.06 0.06 -0.06 -0.03 0.05 -0.01 0.07 -0.04 0.03 0.08 0.07 -0.07 0.11 0.17 -0.00 0.00 -0.05 -0.00 -0.05 -0.10 -0.00 0.04 0.01 0.05 0.02 -0.02 -0.08 0.04 0.02 0.02 0.04 -0.01 -0.10 0.03 -0.05 0.20 -0.01 0.11 -0.22 0.18 0.15 -0.17 0.07 -0.05 -0.22 -0.01 -0.05 -0.36 0.35 0.26 0.05 0.05 0.02 -0.02 -0.04 0.03 -0.05 0.00 -0.01 -0.01 0.00 0.03 -0.13 0.08 0.09 0.18 -0.14 -0.10 0.14 -0.08 -0.09 0.00 0.03 -0.02 0.05 -0.05 -0.02 -0.01 0.02 -0.02 0.00 0.01 0.04 0.02 -0.02 0.02 -0.01 -0.12 -0.05 0.00 0.02 0.02 -0.01 0.01 0.00 -0.10 0.09 -0.04 -0.09 -0.00 -0.03 -0.01 0.05 0.01 0.01 -0.09 0.05 0.06 0.07 0.00 -0.12 0.17 0.09 0.01 -0.09 0.01 0.07 0.05 -0.03 0.10 0.00 0.04 -0.06 0.03 -0.02 -0.01 0.03 -0.03 0.01 0.00 -0.03 0.00 -0.09 0.04 -0.07 -0.13 -0.05 -0.04 -0.25 -0.13 0.01 0.01 0.04 0.01 0.02 0.05 0.01 -0.02 -0.00 -0.06 -0.02 0.01 0.05 -0.02 -0.00 -0.03 -0.02 0.01 -0.06 0.02 0.08 -0.13 0.05 -0.08 -0.02 0.13 0.04 0.10 -0.05 0.06 0.16 0.01 0.06 -0.42 0.45 0.28 -0.06 -0.04 -0.04 0.02 0.02 -0.05 -0.00 0.00 0.00 0.01 -0.02 0.04 -0.02 0.00 0.01 0.02 0.00 -0.01 0.02 0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.04 -0.00 0.02 0.03 -0.04 -0.05 -0.02 0.00 -0.01 0.05 -0.02 -0.01 -0.05 -0.01 0.00 0.02 0.02 0.02 0.00 -0.01 -0.02 -0.08 0.03 -0.03 0.07 0.25 0.00 0.01 -0.01 0.03 -0.04 -0.14 0.00 -0.03 -0.15 0.00 0.02 0.00 0.01 0.05 0.16 -0.03 0.06 0.15 0.03 -0.07 -0.24 0.05 0.02 -0.08 0.00 -0.01 -0.02 -0.03 0.08 -0.09 0.05 0.01 -0.06 -0.05 -0.04 -0.00 -0.01 -0.07 -0.05 0.00 0.00 0.03 0.00 0.03 0.06 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.05 -0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.01 0.07 0.00 -0.20 -0.15 0.02 0.02 -0.01 0.07 -0.13 -0.46 0.02 -0.10 -0.46 -0.01 0.03 0.01 -0.00 0.08 0.27 -0.05 0.09 0.28 -0.02 -0.00 0.00 -0.02 0.02 -0.04 0.04 0.10 -0.00 -0.04 -0.09 -0.02 -0.07 -0.10 0.01 -0.00 -0.01 0.01 0.11 0.10 0.02 -0.03 -0.07 0.11 0.08 0.00 -0.04 0.03 -0.06 0.06 0.21 0.30 -0.03 0.00 -0.09 -0.12 -0.09 -0.00 0.02 -0.00 0.12 -0.08 -0.06 0.02 0.07 -0.02 -0.07 0.06 -0.02 -0.09 -0.00 0.03 0.04 -0.03 -0.09 -0.07 0.02 -0.04 -0.06 0.06 0.03 0.06 0.04 0.07 -0.02 -0.06 0.00 -0.09 0.05 -0.07 -0.11 0.12 -0.08 -0.09 0.03 0.11 -0.12 0.01 0.11 0.35 0.00 0.20 0.26 -0.11 -0.00 -0.11 -0.14 -0.01 -0.09 -0.11 -0.01 -0.09 -0.11 -0.10 0.02 0.05 -0.10 -0.00 0.02 -0.06 -0.01 0.03 -0.02 0.00 -0.16 0.01 0.14 -0.05 -0.09 -0.16 0.04 0.05 -0.11 -0.18 0.11 -0.05 -0.19 -0.10 -0.03 0.07 -0.12 -0.02 -0.01 -0.00 0.02 -0.01 0.00 -0.00 0.00 -0.01 0.02 -0.09 0.03 -0.09 -0.03 0.00 0.06 0.01 0.03 0.05 -0.00 0.01 -0.02 -0.00 -0.02 -0.01 -0.00 -0.08 -0.05 0.03 0.15 0.06 -0.04 0.05 -0.17 0.09 -0.19 -0.07 0.13 -0.00 0.02 0.03 0.01 0.00 0.00 0.04 0.23 -0.17 -0.00 0.02 0.05 -0.00 0.03 -0.04 -0.04 -0.03 0.01 0.03 -0.04 0.02 0.06 0.03 -0.01 -0.06 -0.00 0.04 0.04 -0.02 0.06 0.00 -0.01 -0.07 -0.26 -0.00 0.08 -0.06 0.04 -0.01 0.06 -0.24 0.20 -0.07 -0.18 0.19 -0.07 -0.09 0.12 -0.18 0.01 0.23 0.00 0.06 0.03 0.00 0.01 -0.02 -0.00 0.06 0.05 -0.00 -0.00 0.00 0.01 0.00 0.02 0.00 0.00 0.00 0.03 0.01 -0.06 0.10 0.31 -0.07 -0.01 0.11 0.00 -0.03 -0.11 -0.26 0.06 -0.11 -0.25 0.08 -0.00 -0.04 -0.09 -0.02 -0.12 0.10 -0.04 -0.11 -0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.04 -0.01 0.00 0.02 -0.00 0.01 0.02 -0.00 0.02 0.11 -0.04 0.01 0.01 0.00 0.03 0.04 0.12 0.01 -0.07 -0.05 0.03 0.04 0.04 -0.08 -0.04 0.06 0.01 -0.05 -0.10 -0.05 0.04 0.00 0.01 -0.03 0.03 -0.01 -0.00 -0.02 -0.00 0.01 -0.02 -0.00 -0.02 0.00 -0.00 0.03 0.01 0.02 0.02 -0.00 -0.00 -0.02 -0.01 -0.01 0.03 -0.01 0.02 -0.00 0.01 0.18 -0.05 -0.34 -0.16 -0.37 0.28 -0.32 -0.02 -0.11 0.36 -0.12 -0.18 -0.09 -0.04 0.06 -0.07 -0.03 0.02 -0.01 -0.14 -0.13 -0.02 0.00 0.04 -0.02 -0.13 -0.12 -0.24 -0.01 0.09 0.15 -0.06 0.00 -0.07 -0.07 0.06 -0.07 -0.00 -0.02 -0.02 0.02 0.12 -0.01 0.05 0.00 0.01 0.01 0.07 0.01 0.01 -0.04 0.03 0.01 -0.01 -0.03 0.00 0.04 -0.03 -0.00 -0.06 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.02 0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.00 0.02 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.03 -0.02 -0.00 -0.00 0.01 0.02 0.00 -0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 -0.09 0.00 0.00 0.00 -0.02 -0.00 0.06 -0.00 0.00 -0.09 0.01 0.00 0.02 0.02 -0.00 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.02 -0.02 -0.01 0.01 -0.02 0.00 0.02 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 0.00 -0.01 0.00 -0.01 0.03 0.01 0.03 -0.02 0.02 0.01 0.04 -0.12 -0.38 -0.04 0.15 0.51 0.00 0.01 0.00 0.01 -0.12 -0.41 -0.10 0.16 0.55 -0.01 -0.00 -0.01 -0.01 0.01 -0.04 0.01 -0.02 -0.01 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.05 0.02 0.04 -0.00 -0.01 -0.02 0.00 -0.03 0.08 0.00 -0.02 -0.03 0.02 -0.02 -0.05 0.02 0.08 -0.00 0.01 0.04 -0.00 -0.01 0.01 0.12 -0.04 0.03 -0.00 0.02 0.09 0.00 -0.01 -0.02 -0.02 -0.10 -0.07 -0.01 0.09 -0.07 0.01 0.01 0.00 -0.05 -0.12 -0.06 -0.05 0.11 -0.06 0.06 0.01 0.07 0.03 0.00 0.03 -0.02 0.05 -0.06 -0.01 0.02 -0.00 -0.09 -0.02 0.03 -0.07 0.06 0.10 -0.04 0.02 0.03 0.01 0.07 0.03 0.01 -0.03 -0.08 0.02 0.09 0.07 0.08 0.00 -0.03 -0.08 0.03 0.01 -0.00 0.03 -0.02 -0.02 0.01 -0.03 0.16 -0.13 -0.12 -0.05 0.05 0.02 -0.04 0.07 0.51 -0.00 0.13 0.14 0.02 0.00 -0.00 -0.22 0.12 0.54 -0.19 0.11 0.16 0.01 -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 0.00 0.04 -0.02 -0.02 -0.03 -0.00 0.00 -0.01 0.03 -0.04 -0.01 -0.03 0.04 -0.05 0.04 0.02 0.02 -0.00 0.00 0.00 -0.02 0.00 0.01 -0.01 -0.10 0.10 -0.04 -0.01 0.03 0.10 0.00 -0.00 0.00 0.02 0.03 -0.08 0.02 -0.11 -0.05 -0.00 -0.00 0.00 0.05 0.06 -0.07 0.05 -0.11 -0.03 -0.06 0.03 0.06 -0.07 -0.00 -0.03 -0.01 -0.04 0.04 -0.02 -0.03 -0.03 0.08 -0.10 0.02 -0.01 0.04 0.01 0.02 0.02 -0.03 -0.00 -0.04 -0.01 -0.00 0.02 0.06 -0.01 -0.06 -0.05 -0.08 -0.01 0.03 0.08 -0.03 -0.01 0.00 -0.03 0.02 0.04 -0.01 0.04 -0.09 -0.11 -0.34 -0.01 -0.00 0.01 -0.06 0.13 0.33 -0.03 0.01 0.39 -0.00 -0.00 0.00 0.06 0.15 0.41 0.12 0.07 0.46 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.02 0.02 -0.01 0.01 -0.00 -0.03 0.03 0.02 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.12 -0.11 -0.08 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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.03 -0.59 0.63 0.45 0.00 -0.00 -0.01 0.00 -0.01 -0.02 -0.08 0.08 0.06 0.01 -0.00 -0.02 0.01 -0.01 -0.03 0.00 0.00 -0.00 0.01 -0.01 0.03 -0.01 -0.02 -0.00 0.01 0.00 0.02 0.01 0.01 -0.00 0.04 0.07 0.02 0.03 0.12 0.04 -0.00 -0.11 0.10 -0.04 0.09 0.02 -0.03 -0.05 -0.07 -0.02 -0.07 -0.08 0.01 -0.04 -0.09 -0.03 0.04 0.01 0.02 -0.06 -0.05 0.00 0.01 0.05 0.01 0.00 -0.01 0.00 -0.00 -0.02 -0.00 0.01 -0.02 0.01 0.01 -0.00 -0.00 -0.01 -0.02 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.20 -0.04 0.33 0.26 0.12 0.05 0.34 -0.01 0.15 -0.20 0.33 0.02 0.09 -0.20 -0.13 -0.05 -0.11 0.05 -0.02 -0.17 -0.13 -0.03 0.02 0.08 -0.05 -0.13 -0.10 -0.16 -0.04 0.03 0.16 -0.06 -0.03 -0.15 -0.05 0.05 -0.04 -0.01 -0.10 0.09 0.15 0.21 0.01 0.05 0.01 0.00 0.02 0.06 -0.01 0.02 0.01 0.00 -0.02 -0.03 -0.02 0.04 0.16 -0.05 0.02 0.05 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.03 0.02 0.00 -0.02 0.02 0.02 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.01 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.02 0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.11 -0.11 -0.08 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 0.02 -0.00 0.02 0.01 -0.00 -0.01 0.02 -0.00 -0.06 0.03 0.04 0.01 -0.01 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.02 -0.00 0.01 0.02 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.02 -0.01 -0.03 -0.03 0.08 -0.10 -0.07 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.60 0.61 0.44 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.03 0.02 -0.10 0.01 -0.02 0.01 -0.01 0.02 -0.05 0.01 -0.01 0.00 0.02 0.02 -0.01 0.12 -0.04 0.02 0.01 -0.06 0.02 -0.04 0.01 0.02 -0.05 0.03 -0.05 0.05 -0.04 0.18 0.01 0.00 -0.01 -0.03 0.03 0.00 -0.04 0.01 0.06 -0.01 -0.01 -0.03 -0.03 0.00 -0.02 0.01 0.01 0.00 0.00 -0.01 0.00 -0.01 0.03 0.02 0.02 0.02 0.01 0.01 -0.01 0.02 -0.00 -0.00 -0.01 -0.02 -0.03 0.23 0.14 0.12 -0.04 0.14 0.10 -0.03 -0.10 0.15 -0.02 -0.42 0.22 0.32 0.12 -0.07 -0.37 -0.00 -0.03 -0.01 0.01 0.01 0.03 -0.00 -0.02 -0.01 -0.14 -0.03 0.03 0.12 -0.06 -0.02 -0.10 -0.05 0.04 -0.04 0.02 -0.11 -0.09 -0.22 -0.25 -0.03 -0.03 -0.04 0.00 0.01 -0.01 0.01 -0.02 0.01 0.18 -0.10 -0.06 0.05 -0.03 -0.12 0.04 -0.04 -0.11 -0.00 -0.00 -0.00 -0.01 0.01 -0.05 0.00 -0.01 0.01 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.04 -0.02 0.09 0.06 0.05 0.03 0.02 0.10 -0.08 0.00 -0.01 0.05 -0.04 -0.00 0.00 0.02 -0.04 0.04 0.02 -0.07 -0.03 -0.02 -0.02 0.07 -0.06 -0.05 -0.09 -0.04 0.02 0.04 -0.01 -0.00 -0.01 0.01 0.02 0.00 0.00 -0.02 0.01 0.01 0.01 -0.00 0.03 0.02 -0.04 0.02 -0.04 -0.00 -0.01 0.00 0.01 0.05 0.08 -0.28 -0.01 -0.09 0.01 -0.08 -0.05 0.05 -0.12 -0.05 0.06 -0.13 0.00 0.07 0.04 -0.05 -0.13 -0.01 -0.02 -0.15 -0.03 -0.09 -0.20 -0.00 0.13 0.09 0.30 -0.03 -0.15 -0.16 0.05 -0.08 -0.28 0.11 -0.03 -0.03 0.01 -0.12 -0.11 0.32 0.46 -0.01 0.01 -0.00 0.03 0.01 -0.07 0.01 -0.04 -0.04 0.02 0.02 0.01 0.04 0.07 0.21 0.05 0.01 0.12 0.00 -0.00 -0.00 -0.01 0.01 -0.03 0.00 0.01 0.01 -0.00 0.00 -0.02 -0.01 -0.01 0.00 -0.04 -0.04 -0.10 0.01 -0.02 0.01 -0.01 -0.06 0.03 -0.01 0.01 0.02 0.04 0.03 0.02 0.03 -0.01 0.03 -0.01 0.08 0.07 -0.01 -0.01 -0.06 -0.01 -0.06 -0.07 -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 0.01 -0.00 0.01 0.02 -0.00 0.00 -0.00 0.01 -0.00 -0.04 0.00 -0.01 -0.03 -0.00 0.00 0.01 0.09 -0.06 0.19 -0.12 0.08 -0.07 -0.05 0.06 -0.09 0.18 -0.03 -0.07 -0.10 0.07 0.07 0.06 0.00 -0.11 0.01 0.04 0.14 0.02 0.09 0.18 -0.00 -0.05 -0.01 -0.21 0.07 0.14 -0.03 0.02 0.12 0.34 -0.05 -0.00 -0.04 0.01 -0.02 0.01 0.36 0.52 -0.01 0.00 0.01 0.03 -0.01 -0.12 0.02 -0.03 -0.12 0.02 0.01 0.01 -0.00 0.06 0.22 -0.02 0.05 0.19 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.03 -0.02 -0.03 0.02 0.03 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.01 -0.00 0.03 0.02 0.02 -0.05 -0.02 -0.01 -0.01 -0.02 -0.04 -0.01 0.01 0.04 -0.00 -0.00 0.00 0.01 -0.01 -0.07 0.01 -0.03 -0.08 0.00 0.00 -0.01 0.00 0.02 0.05 -0.01 0.01 0.08 -0.00 -0.00 -0.02 0.06 -0.01 0.00 -0.03 0.00 -0.02 -0.05 -0.00 -0.02 -0.01 -0.05 0.02 -0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.04 -0.10 -0.14 -0.07 0.09 0.10 -0.07 0.06 0.12 -0.07 0.07 0.06 -0.16 0.06 0.10 0.15 0.02 -0.01 -0.02 -0.00 -0.04 -0.01 0.12 0.16 0.01 0.01 0.01 -0.03 0.11 0.37 -0.03 0.11 0.50 0.00 0.01 0.00 0.06 -0.09 -0.32 0.05 -0.13 -0.45 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 0.01 0.02 0.01 0.02 -0.01 -0.04 -0.03 -0.01 -0.09 0.04 0.03 -0.03 -0.04 0.00 -0.02 -0.00 0.02 -0.00 0.02 0.02 0.04 0.00 0.00 0.03 -0.00 0.02 -0.09 -0.02 -0.03 0.11 0.02 0.01 0.01 -0.03 -0.04 0.00 0.00 0.02 0.00 -0.01 0.02 0.00 -0.00 -0.03 0.00 -0.01 -0.04 0.00 0.02 -0.02 -0.01 0.00 0.02 -0.01 0.02 0.03 -0.00 -0.00 -0.01 -0.05 0.00 0.01 -0.00 -0.02 0.04 0.03 0.02 -0.03 0.06 -0.01 -0.01 -0.07 0.03 0.04 0.05 0.02 -0.06 0.10 0.27 0.39 0.18 -0.18 -0.18 0.18 -0.17 -0.30 0.14 -0.11 -0.11 0.30 -0.11 -0.18 -0.21 -0.05 0.01 0.01 0.01 0.06 0.05 0.15 0.20 0.03 0.02 0.03 -0.01 0.05 0.16 -0.01 0.06 0.23 0.04 0.04 0.01 0.01 -0.04 -0.12 -0.00 -0.05 -0.20 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.07 0.01 -0.12 -0.13 -0.13 -0.01 0.30 0.19 0.16 -0.04 0.00 -0.00 0.02 -0.00 0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 0.01 0.01 0.00 0.03 -0.02 -0.04 0.00 -0.00 0.03 0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.00 0.01 -0.01 0.10 -0.16 -0.00 0.01 0.02 0.00 -0.01 -0.04 -0.06 -0.17 0.16 0.01 -0.00 -0.02 -0.00 0.01 0.04 -0.00 -0.00 -0.00 0.06 -0.02 0.04 -0.02 0.01 -0.02 -0.04 0.02 -0.03 0.03 -0.03 -0.01 0.06 0.12 0.00 -0.02 -0.04 -0.01 0.04 0.11 0.18 0.08 -0.06 -0.04 0.07 -0.08 -0.12 0.05 -0.03 -0.03 0.08 -0.03 -0.05 -0.05 -0.01 0.00 -0.03 0.01 -0.05 -0.01 0.07 0.10 -0.38 -0.20 -0.20 0.02 -0.02 -0.11 -0.01 0.05 0.24 -0.27 -0.31 -0.02 -0.01 0.04 0.13 0.02 -0.06 -0.22 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.03 0.02 0.02 -0.00 -0.00 0.00 0.01 0.02 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.01 -0.02 0.01 -0.02 -0.10 -0.01 0.01 0.07 -0.00 -0.02 0.01 -0.01 0.02 0.09 0.01 -0.02 -0.07 0.01 -0.00 -0.00 -0.02 0.00 0.01 -0.03 0.01 -0.02 -0.00 -0.00 0.01 0.04 0.01 -0.02 -0.01 0.00 0.00 0.01 -0.02 -0.02 0.01 0.01 0.03 0.01 -0.01 0.00 0.01 -0.02 -0.02 0.05 -0.00 -0.02 -0.03 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.03 0.00 0.04 0.06 -0.04 -0.02 -0.02 -0.05 0.16 0.55 0.04 -0.11 -0.40 -0.03 -0.03 -0.00 0.06 -0.14 -0.50 -0.03 0.11 0.39 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.02 -0.00 0.02 0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 0.05 0.10 0.02 0.11 -0.06 -0.04 0.01 -0.05 -0.06 -0.11 0.02 0.08 -0.03 -0.01 -0.01 -0.04 0.06 -0.03 0.00 -0.02 0.05 -0.01 0.03 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 0.34 -0.07 0.29 -0.02 0.16 -0.18 -0.27 0.02 -0.04 -0.03 -0.23 0.05 0.03 -0.09 -0.04 -0.05 -0.05 0.04 0.05 -0.02 0.25 0.10 0.07 0.27 0.05 -0.32 -0.30 0.24 -0.03 -0.12 -0.14 0.04 -0.06 -0.16 0.09 -0.04 -0.03 -0.01 -0.13 -0.04 -0.03 -0.06 0.03 0.02 -0.00 0.01 -0.01 -0.03 -0.02 -0.00 -0.01 0.00 0.01 -0.01 -0.01 0.02 0.01 0.03 -0.00 0.01 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.02 -0.02 0.01 -0.06 0.01 0.00 0.01 0.00 0.00 0.02 -0.06 0.09 0.07 -0.11 -0.01 0.00 -0.05 0.03 -0.05 0.14 -0.01 0.03 0.06 -0.07 0.01 0.01 0.03 -0.04 0.01 -0.07 0.05 0.03 -0.01 0.04 0.03 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.02 -0.00 -0.02 0.02 -0.00 -0.00 -0.01 0.00 -0.38 0.04 -0.05 -0.22 0.03 -0.05 0.05 0.02 -0.09 0.30 0.01 -0.10 -0.19 -0.09 0.03 0.10 -0.04 -0.21 -0.01 -0.15 -0.03 -0.02 0.10 0.22 -0.05 -0.16 -0.09 0.37 0.05 -0.10 -0.35 0.13 0.01 0.00 0.15 -0.08 -0.02 -0.00 -0.11 0.12 -0.09 -0.13 0.00 0.01 0.00 -0.00 -0.02 -0.07 0.00 0.03 0.05 0.05 0.01 0.04 -0.00 -0.01 0.04 -0.05 -0.00 -0.05 -0.00 0.00 -0.00 -0.02 0.00 0.01 -0.01 -0.03 -0.04 0.07 -0.02 0.13 -0.03 0.00 -0.04 0.03 -0.04 0.00 0.17 0.07 -0.02 -0.15 -0.06 -0.03 0.02 -0.07 0.00 0.12 0.09 -0.03 -0.09 0.05 -0.01 -0.02 -0.03 0.04 -0.01 0.01 0.03 -0.06 -0.03 0.03 -0.06 0.01 -0.01 -0.04 -0.01 -0.03 0.00 0.01 -0.00 -0.00 -0.02 -0.00 0.03 0.03 -0.02 0.03 0.03 -0.01 0.01 -0.03 0.01 -0.00 -0.00 0.00 -0.23 -0.02 0.16 -0.27 0.16 -0.17 0.07 0.19 -0.21 0.36 0.11 -0.20 0.23 0.01 -0.06 -0.16 -0.09 0.20 0.01 0.13 0.06 0.04 -0.11 -0.20 0.06 0.11 0.06 0.03 -0.05 -0.04 0.04 -0.03 -0.05 -0.18 -0.00 0.02 -0.04 -0.01 -0.15 -0.19 -0.09 0.00 -0.02 -0.01 -0.04 0.01 0.02 -0.02 0.06 -0.04 0.08 -0.10 -0.02 -0.10 0.07 0.01 0.01 0.03 -0.03 -0.02 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.02 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.10 -0.02 -0.02 0.06 0.16 0.06 0.01 0.07 0.05 0.04 -0.02 0.04 -0.00 -0.04 -0.06 -0.00 -0.05 -0.01 -0.06 -0.02 0.02 0.04 -0.06 -0.08 -0.02 0.02 0.02 -0.02 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 0.01 0.02 -0.01 0.01 -0.03 0.01 -0.01 0.00 -0.00 0.19 0.00 -0.16 0.06 -0.20 0.20 0.06 -0.16 0.17 -0.07 0.18 -0.04 -0.05 -0.13 -0.03 0.00 -0.07 -0.06 0.04 0.22 0.20 0.07 -0.14 -0.22 0.09 0.03 -0.05 -0.04 0.11 0.10 -0.15 0.07 0.16 0.46 -0.02 -0.05 -0.07 -0.02 -0.28 -0.11 -0.16 -0.20 0.02 0.02 -0.00 -0.02 -0.04 -0.01 -0.01 0.02 0.01 0.02 0.01 0.01 -0.01 0.04 -0.00 0.01 -0.03 0.01 -0.02 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 -0.02 -0.00 -0.00 0.01 0.02 0.01 0.01 0.01 0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.04 0.26 -0.07 -0.09 -0.25 0.06 0.00 0.00 -0.00 -0.04 -0.18 0.04 -0.00 0.18 -0.05 0.16 -0.01 0.02 0.04 0.00 -0.03 0.03 -0.04 0.04 0.01 -0.03 0.03 -0.03 0.04 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.03 0.02 0.01 -0.02 -0.03 0.01 0.01 -0.01 -0.01 0.02 0.02 -0.03 0.01 0.03 0.08 -0.00 -0.01 -0.01 -0.00 -0.04 -0.06 -0.03 -0.04 -0.01 0.00 -0.00 0.21 0.36 -0.14 0.17 -0.43 0.14 -0.01 -0.00 -0.01 0.18 -0.32 0.14 0.24 0.29 -0.06 0.00 -0.00 0.00 -0.01 0.01 -0.06 -0.06 0.01 -0.04 0.14 -0.05 0.28 -0.03 0.02 -0.06 -0.03 0.02 0.02 -0.06 -0.08 0.07 0.01 0.05 0.04 0.01 0.03 0.04 -0.02 -0.03 -0.04 0.08 0.00 0.01 0.01 0.04 -0.05 0.02 -0.05 -0.01 0.02 0.00 -0.02 0.02 -0.00 0.00 -0.13 -0.04 -0.15 0.00 -0.01 0.00 0.00 0.01 -0.00 0.06 0.07 -0.02 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.03 0.02 -0.15 0.06 -0.12 0.13 0.05 -0.09 0.11 -0.11 0.10 0.01 -0.02 0.28 0.12 0.10 -0.01 -0.15 -0.00 -0.15 0.00 -0.01 0.13 0.27 -0.06 -0.20 -0.14 0.15 0.06 -0.01 -0.17 0.07 0.05 0.16 0.06 -0.05 0.04 0.02 0.10 0.05 0.03 0.00 -0.30 -0.14 -0.17 -0.01 -0.02 0.00 -0.02 0.03 -0.01 -0.26 -0.07 -0.25 -0.03 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.02 -0.03 0.05 -0.01 -0.01 0.01 0.03 -0.01 0.06 -0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.04 0.12 -0.02 0.06 -0.02 -0.06 -0.13 0.06 -0.11 0.01 -0.05 0.14 0.07 -0.03 0.02 -0.01 -0.07 0.06 -0.01 0.05 -0.03 0.02 -0.01 0.02 0.03 -0.02 -0.01 -0.06 -0.01 -0.07 0.00 0.01 0.00 0.01 0.02 -0.00 0.03 0.02 -0.00 -0.01 -0.01 0.00 -0.01 0.02 -0.01 -0.01 -0.01 0.00 -0.10 0.03 0.03 0.07 0.07 -0.10 -0.11 0.05 -0.11 0.05 -0.33 0.14 -0.16 -0.05 0.04 0.11 0.00 -0.20 -0.00 0.20 -0.04 -0.02 -0.18 -0.40 0.07 0.29 0.21 -0.24 -0.02 0.07 0.20 -0.06 -0.01 0.01 -0.09 0.05 -0.07 -0.02 -0.14 0.23 0.04 -0.01 -0.14 -0.06 -0.07 -0.01 -0.00 -0.02 -0.02 0.03 -0.03 -0.05 -0.01 -0.06 0.01 -0.02 0.01 -0.05 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.05 -0.14 -0.02 0.02 -0.03 0.01 0.00 0.01 -0.00 -0.01 0.01 -0.05 -0.02 0.08 -0.13 0.04 0.34 -0.04 -0.02 -0.08 0.09 -0.11 -0.02 0.02 0.09 -0.01 0.03 -0.07 -0.10 0.05 -0.05 -0.01 0.04 0.09 -0.05 0.01 0.03 0.00 0.02 0.02 0.00 0.04 0.01 0.04 0.01 -0.02 0.01 0.00 -0.01 -0.00 -0.02 -0.01 -0.01 -0.02 -0.02 0.00 0.00 0.01 -0.00 -0.03 0.01 -0.01 0.27 -0.05 0.21 -0.07 0.13 -0.16 -0.12 0.06 -0.06 -0.02 -0.18 0.06 0.08 0.07 -0.05 -0.01 -0.17 -0.02 -0.04 -0.10 -0.20 -0.09 0.01 -0.03 -0.06 0.12 0.16 -0.27 -0.06 0.05 0.42 -0.12 -0.02 -0.01 -0.16 0.09 0.05 0.03 -0.10 -0.13 -0.07 -0.07 0.10 0.07 0.05 0.04 -0.01 0.01 -0.01 0.01 0.01 -0.06 -0.03 -0.04 -0.04 -0.01 0.00 0.08 0.05 -0.00 -0.04 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 -0.02 -0.00 0.03 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.03 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.08 0.06 -0.02 -0.10 -0.04 -0.00 -0.00 -0.00 -0.00 0.03 0.12 -0.03 0.01 -0.12 0.04 0.35 -0.03 0.04 -0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.03 -0.03 0.02 -0.00 -0.02 0.02 -0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.03 -0.01 0.01 0.04 -0.01 -0.00 -0.00 -0.02 0.01 0.01 0.00 0.01 0.04 -0.01 -0.01 -0.00 0.00 0.00 -0.33 -0.05 -0.03 -0.32 0.10 -0.03 -0.01 -0.00 -0.00 -0.34 0.39 -0.15 -0.42 -0.34 0.05 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.00 -0.01 0.03 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.06 0.08 0.07 -0.03 0.01 -0.05 -0.02 -0.04 -0.00 0.07 -0.09 -0.01 -0.01 0.09 0.03 0.00 0.01 0.01 0.01 -0.02 -0.03 0.02 -0.05 -0.03 0.00 0.01 -0.01 -0.01 0.03 -0.01 -0.03 -0.01 -0.03 0.01 -0.02 0.00 -0.02 -0.02 0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 0.01 -0.02 0.01 0.01 0.01 -0.00 -0.28 0.02 0.07 0.47 0.01 0.11 0.18 0.40 -0.31 -0.13 -0.26 0.16 -0.07 -0.12 -0.02 0.04 0.13 0.02 -0.01 -0.05 -0.09 -0.03 -0.01 -0.04 -0.02 -0.01 -0.00 0.07 0.07 0.03 -0.11 0.04 0.08 0.23 0.02 -0.05 0.01 -0.01 0.02 -0.17 0.04 0.11 -0.06 -0.03 -0.03 0.07 0.01 0.01 -0.03 -0.01 -0.02 0.04 0.02 0.03 -0.10 0.06 -0.03 0.10 0.02 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.04 -0.02 0.00 -0.07 0.01 -0.00 0.02 -0.01 -0.02 0.02 -0.01 0.03 0.04 0.09 -0.06 0.07 0.02 0.02 -0.00 -0.06 0.03 -0.06 -0.01 -0.01 0.05 -0.05 0.01 -0.02 -0.02 -0.00 -0.02 -0.01 -0.04 -0.03 0.00 -0.00 0.01 -0.01 -0.05 0.01 0.06 0.02 0.06 -0.04 0.03 -0.01 0.04 0.03 0.00 -0.02 -0.02 -0.01 0.04 0.02 -0.00 -0.04 0.02 -0.01 -0.00 -0.03 0.01 -0.22 0.06 -0.12 0.24 -0.04 0.08 0.07 0.17 -0.15 -0.08 -0.17 0.12 0.18 0.27 0.04 -0.14 -0.31 0.03 0.01 0.02 0.06 0.04 -0.03 -0.01 0.03 -0.05 -0.08 0.01 0.07 0.04 -0.13 0.05 0.10 0.21 0.01 -0.03 -0.01 0.01 0.02 0.17 0.04 0.01 0.22 0.14 0.08 -0.21 -0.05 -0.01 0.22 -0.09 0.01 -0.04 -0.03 -0.03 0.26 -0.12 0.06 -0.28 -0.09 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.05 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.05 0.03 -0.03 -0.02 -0.01 0.00 0.07 -0.03 0.02 0.00 0.02 -0.02 0.02 -0.00 0.01 0.02 0.00 -0.00 0.01 0.02 0.01 -0.00 0.02 -0.01 -0.04 -0.04 0.01 -0.04 -0.01 -0.04 -0.07 0.03 -0.02 0.07 0.02 0.00 0.01 0.01 0.00 0.07 0.03 -0.00 -0.05 0.02 -0.01 -0.01 -0.03 0.01 0.18 -0.04 0.10 -0.06 0.01 -0.01 0.01 -0.01 0.03 -0.06 -0.04 0.03 -0.10 -0.19 -0.04 0.08 0.21 0.01 -0.01 -0.05 -0.05 -0.03 0.04 0.04 -0.04 0.00 0.03 -0.01 -0.03 -0.01 0.08 -0.03 -0.03 -0.06 -0.02 0.02 0.01 -0.01 0.01 -0.05 -0.00 -0.02 -0.14 -0.09 -0.05 -0.38 -0.11 -0.01 0.39 -0.19 0.06 0.04 0.03 0.03 0.42 -0.19 0.10 -0.40 -0.13 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.05 -0.04 -0.00 -0.02 -0.03 0.02 -0.06 -0.00 -0.08 -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 0.03 0.03 -0.02 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.06 -0.12 0.00 0.00 -0.00 -0.00 0.00 0.00 0.06 -0.06 0.18 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.05 -0.01 0.01 -0.04 0.00 -0.02 -0.01 -0.03 0.02 0.00 0.00 0.00 0.05 0.09 -0.00 0.02 0.02 -0.02 -0.00 -0.02 -0.01 -0.01 0.01 0.02 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.03 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.00 0.00 0.01 0.01 0.01 0.45 0.48 -0.08 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.46 0.11 0.49 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.02 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.07 -0.09 0.12 0.09 0.01 -0.05 -0.09 0.07 -0.01 -0.07 0.04 -0.05 0.10 -0.03 -0.02 -0.02 0.03 0.01 0.03 0.05 -0.06 0.03 0.04 -0.03 -0.01 -0.04 0.03 -0.05 -0.02 -0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.02 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.02 -0.01 0.01 -0.00 -0.00 0.00 0.40 -0.03 0.04 -0.09 -0.09 0.08 0.13 -0.01 -0.03 -0.31 -0.36 0.33 0.02 -0.11 -0.03 -0.03 -0.01 0.02 -0.00 -0.21 -0.03 -0.00 0.13 0.24 -0.11 -0.16 -0.07 -0.12 -0.03 0.02 0.19 -0.06 0.03 0.05 -0.12 0.05 -0.01 0.00 -0.00 0.20 -0.00 -0.00 -0.08 -0.07 -0.01 0.18 0.09 -0.01 -0.08 0.04 -0.05 0.02 0.02 0.00 -0.02 0.02 -0.01 0.12 0.04 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 0.01 -0.01 -0.00 -0.02 -0.01 0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.06 0.02 -0.00 0.05 -0.02 0.01 -0.00 -0.00 0.00 -0.04 0.03 -0.01 -0.04 -0.02 0.00 -0.03 -0.00 -0.00 0.05 -0.01 0.00 -0.02 -0.01 0.01 0.05 0.03 -0.02 -0.01 -0.01 0.00 -0.01 0.03 0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.02 -0.02 0.01 0.00 -0.01 0.02 0.02 0.02 -0.01 -0.02 0.00 -0.00 -0.02 -0.04 0.01 -0.00 -0.01 -0.00 -0.03 0.05 -0.00 -0.02 0.04 0.04 0.01 0.48 0.22 -0.01 0.43 -0.27 0.10 -0.03 -0.02 -0.02 -0.37 0.25 -0.11 -0.41 -0.19 0.02 -0.00 0.00 -0.00 0.02 -0.01 0.05 -0.05 -0.01 -0.07 0.04 0.03 0.01 -0.00 -0.04 0.06 -0.08 0.01 -0.08 -0.06 0.05 -0.10 -0.04 -0.01 0.04 0.02 -0.02 0.01 0.03 -0.00 -0.02 0.03 -0.01 0.03 0.05 -0.00 0.02 0.04 0.00 0.05 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.03 0.02 0.02 -0.02 -0.01 0.00 -0.01 -0.00 0.00 -0.02 -0.02 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.26 -0.07 0.10 0.03 -0.05 0.08 0.13 0.05 -0.04 -0.11 -0.10 0.10 -0.04 0.28 0.14 -0.00 -0.18 -0.13 -0.02 -0.05 -0.15 -0.11 0.07 0.01 -0.07 0.08 0.14 0.15 -0.07 -0.09 0.02 -0.00 -0.12 -0.15 0.06 -0.01 -0.08 -0.02 -0.22 -0.07 0.01 0.03 0.37 0.32 0.06 -0.12 -0.06 0.00 -0.06 0.03 -0.02 -0.30 -0.15 -0.22 0.06 -0.04 0.02 0.07 0.03 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.05 0.12 -0.09 -0.05 -0.09 0.06 -0.03 0.03 -0.08 -0.04 0.00 -0.08 -0.02 0.03 -0.02 -0.01 0.00 0.03 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.04 -0.07 0.02 0.02 -0.00 0.02 0.02 0.00 0.04 -0.00 0.00 -0.00 0.02 0.01 -0.00 0.07 0.01 0.08 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.10 -0.02 0.02 0.06 -0.05 0.08 0.11 0.08 -0.06 -0.07 -0.07 0.06 0.00 0.15 0.09 -0.07 -0.21 -0.07 -0.01 -0.00 -0.07 -0.06 0.03 -0.00 -0.03 0.06 0.09 0.10 -0.05 -0.06 -0.01 0.01 -0.08 -0.11 0.04 -0.01 -0.03 -0.01 -0.11 -0.03 0.00 0.01 -0.39 -0.40 0.03 -0.04 -0.02 0.00 -0.01 0.00 -0.01 0.47 0.21 0.35 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.03 0.03 -0.00 0.01 -0.01 0.01 0.01 -0.00 -0.06 -0.02 0.05 0.09 -0.01 -0.02 -0.02 0.03 -0.03 -0.11 -0.01 0.02 0.02 -0.03 0.02 -0.02 0.03 0.00 0.02 0.01 -0.02 0.01 0.01 -0.01 -0.12 0.04 -0.05 0.32 0.07 0.02 -0.01 -0.01 -0.00 0.02 -0.03 0.01 0.09 -0.06 0.03 0.00 0.01 -0.01 -0.05 -0.08 0.02 -0.11 0.04 -0.02 0.01 0.04 -0.01 0.13 0.00 0.01 -0.00 -0.02 -0.00 0.03 0.05 -0.08 0.07 0.08 -0.04 0.05 -0.07 -0.04 -0.04 -0.04 0.01 -0.01 -0.09 -0.04 -0.02 0.05 0.06 -0.05 -0.04 0.00 -0.01 -0.01 -0.01 0.07 -0.02 0.01 0.04 -0.04 0.02 -0.00 -0.00 -0.06 -0.48 0.04 0.08 -0.03 -0.03 -0.01 -0.38 -0.23 0.03 -0.04 0.02 -0.01 -0.00 0.01 -0.01 -0.33 0.09 -0.06 -0.38 -0.07 -0.02 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.02 -0.02 0.01 0.00 0.01 -0.01 -0.01 0.00 0.20 -0.12 -0.03 -0.07 0.04 0.01 0.00 0.04 0.07 0.02 -0.03 -0.03 0.01 0.02 -0.06 0.02 -0.02 -0.00 -0.08 0.04 -0.00 -0.05 0.03 -0.00 -0.01 -0.01 0.01 0.03 0.04 -0.01 0.01 0.01 -0.00 -0.01 -0.02 0.00 0.01 -0.02 0.01 -0.00 -0.01 0.01 0.01 -0.02 0.01 -0.02 -0.01 -0.00 0.00 0.02 -0.01 -0.23 0.06 -0.22 -0.18 -0.06 0.07 0.25 0.21 -0.16 -0.37 -0.27 0.26 -0.05 0.06 0.03 0.04 0.03 -0.02 0.04 0.09 0.28 0.18 -0.06 0.07 0.10 -0.09 -0.18 -0.21 -0.01 0.06 -0.02 0.01 0.03 -0.12 -0.05 0.04 -0.01 -0.00 -0.11 -0.25 -0.04 0.06 0.05 0.05 0.00 -0.08 -0.05 0.01 0.04 -0.04 -0.01 -0.04 -0.03 -0.01 -0.04 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.01 0.04 -0.00 0.05 -0.09 -0.01 -0.03 0.03 -0.02 -0.02 0.01 0.02 -0.03 0.22 -0.07 0.07 -0.15 0.02 -0.04 -0.08 0.05 0.01 0.04 -0.00 0.03 0.01 -0.00 -0.06 0.05 -0.01 0.02 -0.06 -0.01 0.02 -0.08 0.01 -0.00 -0.00 -0.02 0.03 -0.01 0.05 0.01 0.05 -0.01 -0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.23 0.03 0.01 -0.03 0.11 -0.17 -0.34 -0.28 0.23 0.22 0.15 -0.17 -0.09 0.24 0.16 -0.01 -0.16 -0.12 0.01 -0.13 0.05 0.06 0.00 0.05 -0.03 -0.17 -0.14 -0.21 0.06 0.10 0.09 -0.01 0.16 0.21 -0.14 0.04 -0.02 -0.01 -0.11 -0.14 -0.03 0.02 0.06 0.03 0.05 0.01 -0.00 0.00 0.09 -0.07 0.05 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.03 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 0.10 0.18 0.04 -0.02 -0.02 -0.02 -0.05 -0.04 0.01 -0.02 0.01 -0.00 0.06 0.02 -0.06 0.00 -0.01 0.00 -0.04 -0.06 0.00 -0.03 -0.07 -0.02 -0.03 -0.01 0.00 0.03 -0.01 0.00 0.01 0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.44 -0.12 0.28 -0.34 0.11 -0.14 -0.05 -0.14 0.10 -0.24 -0.21 0.19 0.00 0.05 0.02 -0.01 -0.06 -0.03 0.00 0.15 -0.01 0.04 -0.14 -0.20 0.13 0.08 -0.04 0.06 0.16 0.09 -0.21 0.06 0.12 0.14 0.11 -0.08 0.06 -0.00 0.22 0.01 0.01 0.01 -0.00 -0.01 0.01 0.03 0.01 -0.00 -0.04 0.03 -0.02 0.04 0.03 0.01 -0.03 0.01 -0.01 -0.06 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.08 0.12 -0.05 0.11 0.14 -0.04 -0.10 0.02 -0.17 0.01 0.01 0.00 0.02 -0.01 0.00 -0.02 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.02 -0.01 -0.04 -0.05 0.03 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 -0.00 0.02 -0.04 0.01 0.02 -0.02 0.04 0.02 0.01 -0.00 -0.00 0.01 -0.00 -0.02 -0.19 0.24 -0.02 0.01 -0.00 0.01 0.02 -0.00 -0.00 -0.02 0.00 0.02 -0.01 0.04 0.09 -0.01 0.03 -0.07 -0.06 0.05 -0.01 -0.03 0.02 -0.10 -0.27 -0.03 0.01 0.09 0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.02 0.01 -0.02 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.02 0.01 0.01 -0.01 -0.17 -0.17 0.02 0.01 0.01 -0.00 -0.05 0.04 -0.02 -0.60 -0.47 -0.15 0.00 -0.01 0.00 -0.05 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.02 0.01 0.02 -0.01 0.00 0.02 -0.02 -0.05 0.00 -0.06 0.03 -0.03 0.03 0.03 -0.04 0.02 -0.02 0.07 -0.04 0.06 0.07 -0.04 -0.00 0.03 -0.01 0.02 -0.00 0.01 0.01 -0.00 0.02 0.04 -0.06 0.04 -0.06 0.17 -0.06 -0.01 -0.01 0.00 -0.13 -0.08 0.01 0.09 -0.09 0.03 0.00 -0.01 0.02 0.10 -0.08 0.03 -0.09 -0.09 0.02 0.02 0.22 -0.06 -0.28 0.01 -0.02 0.15 -0.01 0.04 -0.37 -0.36 0.31 -0.16 -0.23 0.17 0.06 -0.04 -0.04 -0.03 -0.10 -0.02 -0.00 0.01 -0.05 -0.06 0.03 -0.01 -0.03 0.02 0.05 0.06 -0.04 -0.04 -0.01 0.00 -0.06 -0.03 0.03 -0.01 0.00 0.00 0.02 -0.08 -0.09 0.05 -0.05 -0.05 -0.00 0.27 0.10 0.00 -0.06 -0.00 -0.00 -0.02 -0.02 0.00 0.18 -0.13 0.05 -0.12 -0.11 0.03 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.03 0.05 -0.01 0.00 -0.00 0.01 0.04 -0.01 -0.00 0.01 -0.02 -0.06 -0.12 0.05 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.02 0.06 -0.01 0.01 -0.05 0.12 -0.04 0.00 -0.00 0.01 -0.06 -0.04 0.01 0.01 -0.03 0.01 0.00 -0.02 0.03 0.06 -0.03 0.02 -0.04 -0.06 0.01 0.02 0.07 -0.02 0.30 -0.01 0.04 -0.37 0.03 -0.10 0.42 0.37 -0.34 0.17 0.26 -0.16 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.03 0.00 -0.02 -0.02 0.01 -0.00 -0.01 -0.01 0.05 0.03 0.01 -0.00 0.05 0.06 -0.01 -0.01 0.04 0.00 0.14 0.08 -0.01 0.01 -0.02 -0.02 0.01 -0.08 -0.05 0.01 0.14 -0.12 0.04 -0.06 -0.05 -0.02 -0.01 0.01 -0.01 0.20 0.05 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.06 -0.04 -0.00 -0.02 0.03 -0.01 -0.05 0.05 0.06 -0.02 0.00 0.00 0.01 0.00 -0.07 0.03 -0.03 0.00 -0.03 0.01 -0.01 -0.02 0.03 -0.01 -0.04 0.01 -0.02 0.00 -0.01 -0.02 0.00 -0.00 -0.02 0.02 -0.01 0.02 -0.05 0.01 0.01 0.04 -0.03 -0.03 -0.02 0.00 0.03 -0.03 0.01 -0.01 0.00 -0.02 -0.02 -0.01 0.00 0.01 -0.00 0.00 0.01 0.10 -0.03 0.23 -0.03 0.05 0.29 -0.05 0.10 0.06 0.11 -0.11 0.14 0.14 -0.10 -0.10 -0.12 -0.01 0.07 0.26 0.06 0.01 0.02 0.07 0.06 -0.02 0.04 0.03 0.01 -0.03 -0.01 0.01 0.01 0.01 -0.01 0.02 -0.00 -0.00 0.01 0.02 -0.00 0.05 0.16 0.05 -0.05 0.07 0.09 -0.03 0.33 0.14 -0.01 -0.35 0.22 -0.08 0.03 0.02 0.01 0.27 -0.20 0.09 -0.33 -0.17 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.02 0.08 -0.05 0.00 -0.02 0.03 -0.02 -0.07 0.07 0.03 -0.00 -0.02 0.04 -0.01 0.03 -0.06 0.00 -0.03 -0.03 0.04 -0.02 0.02 0.01 0.01 -0.02 -0.04 0.02 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.03 0.01 -0.01 0.07 -0.02 0.02 0.06 -0.05 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 -0.01 -0.03 0.04 -0.01 0.01 -0.04 -0.01 -0.00 -0.01 -0.06 0.01 0.12 -0.03 0.08 0.38 -0.07 0.13 -0.16 -0.14 0.12 0.05 -0.04 0.01 -0.11 -0.28 -0.05 0.08 0.30 0.05 0.01 0.03 0.05 0.02 -0.01 0.03 0.02 0.03 0.00 0.03 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.02 -0.01 0.05 -0.00 0.14 -0.01 -0.03 0.01 0.07 0.11 -0.06 -0.28 -0.12 0.01 0.30 -0.19 0.08 0.03 0.02 0.02 -0.25 0.19 -0.08 0.31 0.15 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 -0.08 0.05 -0.01 0.02 -0.03 0.03 0.07 -0.07 0.10 -0.03 -0.02 -0.06 0.02 -0.01 -0.13 0.02 -0.05 -0.00 -0.00 0.01 0.01 -0.01 0.04 0.03 0.04 -0.02 -0.03 0.00 -0.01 -0.02 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.02 -0.01 -0.02 -0.06 0.06 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.01 0.02 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.33 -0.06 0.08 0.63 -0.08 0.20 -0.07 -0.05 0.04 0.18 0.08 -0.10 0.10 0.28 0.05 -0.08 -0.34 -0.06 0.03 0.06 0.13 0.08 -0.02 0.08 0.05 0.06 -0.02 -0.03 -0.02 -0.01 -0.05 0.02 0.01 -0.04 -0.02 0.02 0.00 0.00 0.03 0.06 0.01 -0.01 -0.05 -0.09 0.06 -0.06 -0.02 0.00 0.07 -0.05 0.03 -0.02 -0.01 -0.02 -0.05 0.04 -0.02 0.07 0.03 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 0.03 -0.00 0.01 -0.01 0.01 0.03 -0.02 -0.00 0.01 0.01 0.04 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.11 -0.07 0.00 0.00 0.00 -0.02 -0.01 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.03 0.03 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.02 -0.02 0.02 0.03 -0.01 -0.03 -0.03 0.01 -0.02 -0.02 0.02 -0.02 0.57 0.17 0.13 0.60 0.39 -0.01 -0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.07 0.04 -0.02 0.07 -0.05 -0.02 0.06 0.03 -0.01 -0.07 0.00 -0.26 -0.00 -0.02 -0.00 0.01 -0.01 0.04 -0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.03 0.02 -0.01 0.03 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.04 0.06 -0.11 -0.13 -0.12 -0.01 0.04 0.08 -0.06 -0.02 -0.01 -0.02 0.03 0.03 0.02 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.03 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.06 -0.16 0.13 0.00 0.00 -0.00 0.00 -0.00 0.00 0.18 0.13 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.07 0.02 0.01 -0.03 -0.03 0.01 -0.00 -0.00 0.00 -0.02 -0.02 0.02 -0.05 -0.33 -0.07 0.12 0.29 -0.08 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.02 -0.01 -0.03 -0.01 0.01 -0.00 0.09 0.00 0.33 -0.03 -0.01 -0.00 0.44 0.28 0.21 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.28 -0.07 -0.30 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.02 -0.01 0.02 -0.01 0.01 -0.01 -0.10 0.07 -0.01 0.03 -0.02 0.00 0.01 0.01 -0.00 -0.01 -0.02 0.04 -0.01 -0.01 -0.06 0.03 -0.02 0.02 -0.01 -0.00 -0.00 -0.01 0.01 -0.06 0.02 -0.01 0.08 -0.00 0.01 0.01 0.01 0.00 0.08 -0.03 0.02 -0.10 -0.00 -0.01 0.00 -0.01 0.00 -0.07 0.01 -0.03 -0.05 0.03 -0.03 -0.01 0.02 -0.01 -0.03 0.00 -0.00 -0.02 -0.07 -0.02 0.01 0.02 0.01 0.04 0.05 0.06 -0.00 0.02 0.11 -0.01 0.09 0.04 -0.18 -0.02 0.11 -0.15 0.10 0.02 -0.17 -0.00 -0.03 -0.10 0.01 -0.26 0.71 0.17 -0.14 0.02 0.00 0.01 0.01 0.06 -0.02 -0.08 0.10 -0.04 0.00 0.00 -0.01 -0.20 0.16 -0.07 0.20 0.14 -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 0.02 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.03 0.02 0.00 0.01 -0.01 0.00 0.01 0.01 -0.00 0.05 0.06 -0.10 0.02 0.02 -0.02 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.01 0.00 -0.03 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.02 0.01 0.01 0.01 -0.01 0.01 -0.02 -0.03 0.02 0.01 0.02 -0.07 -0.02 -0.01 -0.08 -0.07 -0.13 -0.21 -0.22 0.07 -0.10 -0.34 0.07 -0.30 -0.18 0.37 0.05 -0.24 0.35 -0.22 -0.02 0.38 -0.01 0.08 -0.02 0.00 -0.02 0.22 0.05 -0.05 -0.01 -0.01 0.00 0.00 0.02 -0.01 -0.03 0.03 -0.01 0.00 0.00 0.00 -0.06 0.05 -0.02 0.06 0.04 -0.01 0.00 0.00 -0.00 -0.02 -0.04 -0.03 0.02 0.00 0.02 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.02 -0.03 -0.02 0.02 0.11 -0.02 0.00 -0.00 0.01 0.01 -0.02 0.01 0.00 0.01 -0.00 -0.00 -0.04 -0.02 0.01 0.04 0.04 0.05 0.00 -0.00 -0.03 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.00 0.02 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.04 0.00 -0.07 0.04 0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.02 0.31 0.10 -0.02 -0.03 0.10 -0.07 -0.12 -0.12 -0.03 -0.03 -0.25 -0.03 -0.24 -0.09 -0.19 -0.09 0.07 -0.18 0.12 -0.02 -0.19 -0.03 -0.01 0.19 -0.01 0.70 0.09 0.02 -0.03 -0.03 0.00 -0.02 0.00 0.01 -0.00 -0.03 0.03 -0.01 -0.01 -0.01 0.01 -0.04 0.04 -0.01 0.02 0.02 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.02 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 0.06 -0.02 0.02 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.02 -0.00 0.00 -0.06 -0.07 -0.07 0.02 0.01 -0.02 0.01 -0.00 0.00 -0.02 0.01 -0.00 0.01 -0.01 -0.02 0.01 -0.00 0.03 -0.00 0.00 -0.01 -0.01 0.00 0.02 -0.00 0.00 -0.03 0.01 -0.00 -0.00 -0.02 0.00 -0.09 0.02 0.01 -0.08 -0.03 -0.00 0.05 0.00 0.03 0.01 -0.06 -0.01 0.01 0.15 0.05 -0.02 -0.06 0.00 0.15 0.22 0.27 -0.06 0.10 0.39 -0.07 0.34 0.21 0.27 0.03 -0.18 0.26 -0.16 0.00 0.26 -0.03 0.07 0.10 -0.01 0.38 0.01 0.01 -0.01 -0.01 0.00 -0.02 0.04 0.04 -0.01 -0.07 0.06 -0.02 -0.01 -0.01 -0.00 -0.05 0.05 -0.02 0.04 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 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.02 0.03 -0.01 0.01 -0.01 0.01 -0.05 -0.08 0.06 0.01 0.04 -0.03 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.03 -0.00 -0.01 0.02 0.12 -0.04 -0.00 -0.00 -0.00 0.11 -0.03 0.02 -0.12 -0.01 -0.01 -0.00 -0.00 0.00 -0.11 -0.02 -0.01 0.09 -0.04 0.02 0.02 0.09 -0.02 -0.06 0.00 -0.04 -0.02 0.02 -0.01 -0.00 -0.04 0.08 -0.03 -0.09 0.02 -0.02 0.04 0.02 -0.00 0.01 0.03 0.03 0.03 0.05 -0.00 0.01 0.07 -0.01 0.06 0.04 0.05 0.00 -0.04 0.05 -0.03 0.00 0.05 -0.01 0.02 -0.00 0.00 0.08 0.63 0.13 -0.11 0.00 0.00 -0.00 -0.29 -0.22 0.03 0.26 -0.27 0.09 -0.00 -0.00 0.00 0.16 -0.21 0.08 -0.16 -0.17 0.03 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.17 0.11 0.11 -0.06 -0.04 -0.03 -0.01 -0.03 0.04 0.01 0.01 0.01 -0.02 -0.02 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.10 -0.06 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 -0.10 -0.04 -0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 -0.02 -0.04 0.03 0.05 -0.02 0.02 -0.00 0.02 0.02 -0.02 -0.02 0.67 0.26 0.01 -0.03 -0.09 -0.47 -0.02 -0.03 -0.03 0.05 -0.02 0.00 0.04 0.02 -0.02 -0.06 -0.05 0.00 -0.04 0.01 -0.10 0.05 0.04 -0.02 -0.06 0.01 -0.19 0.02 0.00 -0.01 0.09 0.15 -0.08 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.13 -0.05 -0.11 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 -0.02 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.01 0.00 0.05 -0.03 0.01 0.01 0.00 -0.02 -0.01 -0.02 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.05 0.02 0.12 -0.03 -0.12 0.05 -0.42 0.04 -0.39 -0.31 0.44 0.19 -0.16 0.05 0.02 -0.06 -0.13 0.16 -0.03 0.20 -0.17 -0.09 0.07 0.14 0.19 0.01 -0.11 0.03 -0.10 -0.11 -0.06 0.05 0.07 0.02 -0.16 0.09 -0.00 -0.00 -0.03 0.02 0.00 -0.00 0.01 0.03 -0.02 -0.01 -0.01 0.00 0.02 -0.02 -0.01 -0.04 -0.01 -0.03 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.06 -0.03 -0.02 0.03 0.03 0.01 0.01 0.02 -0.01 -0.01 -0.00 0.00 0.00 0.02 -0.00 0.02 0.01 -0.02 0.01 -0.01 0.00 0.02 -0.01 0.00 -0.02 -0.01 0.03 -0.02 0.01 -0.01 0.00 -0.01 0.02 -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 -0.04 -0.02 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.09 0.05 0.20 -0.06 -0.20 0.08 -0.20 0.02 -0.17 -0.14 0.20 0.08 0.34 -0.01 -0.02 0.12 0.26 -0.32 -0.05 -0.24 0.01 0.31 -0.12 0.08 0.07 0.20 0.04 -0.14 -0.05 0.07 0.00 -0.04 -0.30 0.11 0.22 -0.11 0.02 -0.00 0.11 0.02 0.00 -0.01 -0.02 -0.05 0.03 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.08 0.03 0.07 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.04 0.02 0.02 -0.03 -0.02 -0.01 -0.01 -0.02 0.01 -0.02 0.01 -0.01 0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 0.01 -0.03 -0.03 0.02 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.02 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.07 -0.04 -0.06 0.01 0.05 -0.01 0.05 0.04 -0.05 -0.02 -0.35 0.04 0.03 -0.12 -0.25 0.33 -0.08 -0.45 0.03 0.50 -0.21 0.05 0.07 0.30 0.09 -0.04 -0.05 0.00 -0.02 -0.00 -0.13 0.06 0.08 -0.04 -0.00 -0.00 -0.04 -0.01 -0.00 0.00 -0.00 0.03 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 -0.07 -0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.02 -0.01 0.01 -0.00 0.00 -0.01 0.02 0.02 -0.02 -0.01 -0.04 -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 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.05 0.04 0.04 -0.01 -0.19 0.01 -0.17 -0.13 0.18 0.08 -0.02 0.02 0.00 -0.03 -0.09 0.03 0.09 -0.12 0.27 -0.03 -0.01 -0.16 -0.30 -0.07 0.16 0.10 0.47 0.29 0.26 -0.15 0.16 -0.25 0.27 -0.20 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -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 0.01 0.01 0.00 0.01 0.01 -0.00 -0.02 -0.01 -0.02 0.00 0.01 -0.00 0.01 0.01 -0.02 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.02 0.00 0.02 0.01 -0.00 -0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.09 0.05 0.22 -0.05 -0.24 0.10 0.09 -0.01 0.09 0.06 -0.09 -0.04 0.11 0.04 0.00 0.03 0.06 -0.09 -0.10 -0.07 -0.22 0.18 -0.05 0.13 0.25 0.13 -0.09 0.22 0.28 0.05 0.09 0.01 0.53 -0.36 -0.23 0.07 0.01 -0.00 0.03 -0.00 -0.00 -0.00 0.03 0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.03 -0.00 0.01 -0.00 -0.01 0.00 0.02 0.03 -0.06 -0.00 -0.00 0.00 -0.02 0.01 -0.01 0.00 0.00 -0.01 0.02 0.00 0.01 -0.01 -0.01 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 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.16 0.13 0.54 -0.15 -0.54 0.22 0.11 -0.01 0.09 0.08 -0.11 -0.06 -0.08 0.06 0.02 -0.04 -0.08 0.10 0.05 0.14 0.06 -0.23 0.08 -0.13 -0.13 -0.20 -0.01 -0.09 -0.00 0.06 0.01 -0.03 -0.17 0.07 0.15 -0.08 -0.01 0.00 -0.05 0.02 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -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 0.01 -0.00 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.02 -0.01 -0.02 0.01 -0.01 0.11 -0.01 0.01 -0.01 -0.01 0.00 -0.06 -0.07 0.01 -0.03 0.07 -0.02 -0.01 -0.01 -0.00 -0.09 0.10 -0.04 -0.11 -0.07 0.01 0.10 -0.03 0.02 -0.00 0.01 0.06 -0.02 -0.05 0.02 -0.06 -0.01 -0.03 -0.04 0.04 0.03 0.03 -0.00 -0.00 0.02 0.04 -0.03 0.05 -0.14 0.22 0.04 -0.05 -0.15 -0.23 -0.02 0.13 0.06 -0.12 -0.14 -0.10 0.08 0.13 0.00 -0.23 0.13 -0.00 -0.00 -0.01 -0.05 0.01 0.00 0.02 0.01 0.01 0.38 0.12 0.01 0.31 -0.14 0.06 0.02 0.01 0.02 0.34 -0.17 0.08 0.36 0.14 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.04 0.02 0.01 0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.00 -0.03 0.01 -0.01 0.01 -0.00 0.04 -0.00 0.01 0.01 0.02 -0.00 -0.02 -0.03 0.01 -0.01 0.03 -0.01 0.02 0.01 0.01 -0.03 0.04 -0.01 -0.04 -0.03 0.00 0.04 -0.01 0.01 -0.00 -0.01 -0.11 0.05 0.08 -0.03 0.05 -0.01 0.06 0.05 -0.06 -0.03 -0.06 0.01 0.01 -0.02 -0.06 0.05 -0.09 0.23 -0.36 -0.07 0.07 0.25 0.37 0.04 -0.22 -0.09 0.21 0.24 0.18 -0.14 -0.22 -0.01 0.38 -0.22 0.01 -0.00 0.04 -0.02 0.00 -0.00 -0.03 -0.02 -0.01 0.15 0.05 0.00 0.12 -0.05 0.02 -0.03 -0.01 -0.03 0.13 -0.07 0.03 0.14 0.06 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.09 -0.11 0.04 -0.09 -0.05 -0.06 -0.12 -0.12 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.19 0.21 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 0.19 0.12 0.10 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 0.06 -0.01 -0.06 0.03 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.26 0.12 -0.00 0.07 0.19 -0.17 0.00 -0.04 0.03 0.02 -0.01 -0.03 -0.03 0.00 0.02 0.05 -0.01 -0.05 -0.03 0.04 0.14 -0.07 -0.14 0.07 -0.00 0.00 -0.01 0.02 0.00 -0.01 -0.42 -0.34 -0.11 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.37 -0.14 -0.34 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.03 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 0.01 0.00 0.00 -0.32 0.10 0.00 0.00 -0.00 0.14 0.18 -0.04 -0.10 0.22 -0.07 -0.00 -0.00 0.00 0.05 -0.21 0.07 -0.13 -0.22 0.05 0.05 0.35 -0.09 0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.02 0.01 -0.01 0.00 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 -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 -0.21 -0.03 0.03 -0.00 -0.00 -0.00 -0.33 -0.02 -0.03 0.40 -0.09 0.05 0.00 -0.00 -0.00 -0.27 -0.03 -0.02 0.34 -0.03 0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.00 0.00 -0.23 0.02 -0.03 -0.00 -0.00 0.00 0.31 0.06 0.02 0.28 -0.10 0.05 -0.00 -0.00 -0.00 -0.25 0.07 -0.05 -0.26 -0.04 -0.01 0.12 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -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 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.38 -0.26 0.04 -0.32 0.29 -0.10 0.00 0.00 0.00 0.19 -0.23 0.09 0.23 0.20 -0.03 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 0.04 0.02 -0.02 0.00 0.01 -0.01 -0.43 -0.28 0.21 0.04 0.05 -0.04 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.47 0.24 -0.16 -0.09 -0.08 0.03 -0.00 0.00 0.00 -0.04 0.02 -0.01 -0.01 0.03 -0.01 -0.00 -0.00 -0.00 0.05 -0.03 0.01 0.01 -0.02 0.00 -0.01 0.03 -0.01 0.01 0.01 0.00 -0.01 -0.02 0.01 -0.04 -0.04 0.00 -0.07 -0.06 0.07 -0.01 0.02 0.01 0.00 0.01 0.02 0.01 0.01 0.02 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.01 0.04 -0.57 0.04 -0.07 0.00 0.00 -0.00 0.00 0.04 -0.01 0.00 0.04 0.00 0.00 0.00 0.00 -0.05 0.03 -0.01 0.03 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.04 -0.04 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.15 0.01 -0.05 0.10 0.18 -0.22 0.50 0.35 -0.30 -0.07 -0.43 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.10 -0.01 -0.03 -0.04 -0.09 0.02 -0.03 0.03 -0.04 0.11 -0.13 0.18 0.12 0.22 -0.02 0.02 -0.14 -0.24 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.03 -0.00 -0.00 0.00 0.02 -0.03 -0.01 -0.00 0.00 -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 0.00 0.00 -0.00 -0.00 -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 0.00 0.08 -0.17 -0.32 -0.16 0.37 0.25 -0.12 -0.03 -0.18 0.00 -0.00 0.01 0.02 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.03 -0.01 0.01 -0.01 0.01 -0.19 0.22 -0.31 -0.19 -0.37 0.03 -0.03 0.23 0.41 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.06 -0.00 -0.00 0.00 0.01 0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.26 0.01 -0.17 0.35 0.65 0.05 -0.10 -0.06 -0.13 -0.02 -0.18 -0.01 0.02 -0.05 0.03 -0.01 0.01 -0.16 0.02 0.05 0.10 0.22 -0.06 0.07 -0.06 0.10 -0.11 0.13 -0.18 -0.11 -0.22 0.02 -0.02 0.11 0.20 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.04 -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 0.02 0.00 0.05 -0.11 -0.20 -0.05 0.10 0.07 -0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.02 0.01 -0.00 -0.46 0.06 0.15 0.29 0.62 -0.17 0.19 -0.16 0.28 0.06 -0.08 0.10 0.05 0.10 -0.01 0.01 -0.07 -0.13 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.02 -0.00 -0.00 -0.00 -0.02 -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 -0.06 -0.31 0.03 -0.05 0.10 0.17 -0.19 0.39 0.25 0.46 0.08 0.62 -0.00 0.01 -0.02 0.01 -0.00 0.00 0.04 -0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.02 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.03 -0.00 -0.02 -0.00 -0.00 0.00 0.02 0.04 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.11 0.51 -0.06 -0.05 0.10 0.19 -0.04 0.09 0.06 0.05 0.01 0.06 0.04 -0.11 0.32 -0.42 0.12 -0.07 0.03 -0.00 -0.01 0.01 0.02 -0.00 0.01 -0.01 0.01 -0.03 0.05 -0.04 -0.19 -0.36 0.05 0.04 -0.20 -0.36 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.06 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.03 -0.00 0.03 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 0.14 0.66 -0.07 -0.06 0.10 0.21 -0.06 0.12 0.08 0.06 0.01 0.08 -0.05 0.14 -0.40 0.45 -0.13 0.07 -0.06 0.01 0.02 -0.00 -0.00 0.00 0.02 -0.02 0.03 0.02 -0.03 0.03 0.06 0.10 -0.01 -0.01 0.05 0.09 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 0.00 -0.02 0.01 0.01 -0.01 -0.01 -0.07 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 0.22 -0.03 -0.03 0.06 0.12 -0.02 0.05 0.03 0.02 0.00 0.03 0.04 -0.11 0.32 -0.36 0.11 -0.06 -0.10 0.02 0.03 -0.03 -0.05 0.02 0.03 -0.02 0.04 -0.10 0.09 -0.15 0.30 0.56 -0.06 -0.04 0.20 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 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.02 0.03 -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.07 -0.01 -0.01 0.03 0.05 -0.01 0.01 0.01 0.01 0.00 0.01 0.02 -0.04 0.12 -0.13 0.04 -0.02 0.16 -0.03 -0.05 0.06 0.14 -0.04 -0.05 0.03 -0.06 0.35 -0.41 0.54 -0.12 -0.21 0.00 -0.04 0.26 0.43 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.07 -0.04 0.04 0.00 -0.02 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.05 -0.01 -0.00 0.00 0.00 0.02 -0.03 -0.02 -0.01 -0.00 -0.01 -0.00 0.01 -0.02 0.03 -0.01 0.00 0.70 -0.12 -0.23 0.23 0.52 -0.13 -0.09 0.05 -0.09 -0.10 0.11 -0.15 0.09 0.15 -0.01 0.00 -0.03 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 0.05 -0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.33 -0.04 -0.12 -0.10 -0.19 0.04 0.46 -0.37 0.68 0.03 -0.03 0.04 -0.01 -0.02 0.00 -0.00 0.01 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.02 -0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.06 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 0.01 0.04 -0.13 0.38 0.33 -0.10 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 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.19 0.67 -0.47 -0.00 0.00 -0.00 0.03 -0.06 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 0.03 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.04 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 0.03 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.07 -0.20 0.60 0.52 -0.15 0.07 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.02 -0.00 0.00 0.00 0.13 -0.43 0.30 -0.00 0.00 -0.01 -0.02 0.04 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.03 -0.07 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.07 -0.05 -0.00 0.00 -0.00 -0.38 0.83 -0.27 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.16 -0.23 0.05 -0.01 0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 -0.14 -0.20 0.04 0.00 0.00 -0.00 0.02 0.03 -0.01 -0.40 0.84 -0.26 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.07 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.12 0.24 -0.08 0.02 0.03 -0.01 0.00 0.00 -0.00 0.55 0.76 -0.15 0.01 -0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 -0.07 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -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 0.00 0.54 0.78 -0.15 -0.00 -0.00 0.00 -0.02 -0.02 0.00 -0.10 0.21 -0.07 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.06 -0.06 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 0.09 -0.15 0.33 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.19 -0.64 0.64 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.03 -0.08 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 0.23 -0.37 0.82 -0.00 0.00 0.00 0.00 0.00 -0.00 0.07 0.25 -0.25 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.06 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.21 0.97 -0.10 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.99974 0.02273 -0.00305 -0.02276 0.99969 -0.01004 0.00282 0.0101 0.99994 asymmetric 1 0.02069 0.00724 0.00583 0.43118 0.15092 0.12148 908441.4 19.90 47.21 79.83 91.62 107.75 143.17 176.08 201.29 251.34 271.27 292.86 320.37 359.04 376.64 388.97 451.43 465.22 476.31 503.94 527.22 547.96 573.42 600.84 607.61 628.22 679.04 759.02 764.34 776.95 843.35 880.67 895.85 933.90 955.26 988.20 1001.32 1036.90 1067.77 1109.60 1147.38 1194.55 1199.63 1204.01 1236.25 1271.79 1299.26 1303.92 1337.53 1349.64 1385.67 1391.99 1402.66 1406.70 1424.65 1444.59 1461.93 1467.63 1479.03 1489.96 1520.26 1580.46 1588.92 1627.01 1639.10 1655.04 1679.36 1724.82 1753.76 1754.84 1775.61 1786.38 1793.45 1812.83 1836.80 1885.23 1888.81 1896.73 1916.54 1926.61 1936.08 1961.65 1986.20 2021.86 2024.12 2036.43 2061.03 2076.71 2115.16 2130.53 2132.77 2145.05 2158.53 2181.40 2182.98 2191.36 2191.70 2209.78 2299.26 2346.94 2459.14 4344.96 4346.04 4351.45 4362.38 4389.37 4427.16 4428.43 4438.75 4448.43 4454.93 4490.53 4512.76 4513.47 4562.48 4592.65 4602.80 4639.16 4671.49 4679.80 5272.02 0.346007 0.365711 0.366656 0.296615 -1359.477158 -1359.457454 -1359.456509 -1359.526550 229.487 78.087 147.412 0.000 0.000 0.000 0.889 2.981 43.158 0.889 2.981 34.963 227.710 72.126 69.291 1 0.593 1.986 7.367 2 0.594 1.983 5.652 3 0.596 1.975 4.612 4 0.597 1.972 4.340 5 0.599 1.966 4.020 6 0.604 1.949 3.464 7 0.610 1.930 3.062 8 0.615 1.913 2.805 9 0.627 1.874 2.384 10 0.633 1.856 2.242 11 0.639 1.835 2.101 12 0.648 1.807 1.937 13 0.662 1.764 1.734 14 0.669 1.743 1.650 15 0.674 1.728 1.594 16 0.702 1.647 1.342 17 0.708 1.629 1.293 18 0.713 1.613 1.255 19 0.727 1.575 1.165 20 0.739 1.541 1.095 21 0.751 1.511 1.036 22 0.765 1.473 0.968 23 0.781 1.432 0.900 24 0.785 1.422 0.884 25 0.797 1.390 0.837 26 0.829 1.312 0.732 27 0.883 1.189 0.593 28 0.886 1.181 0.584 29 0.895 1.162 0.565 30 0.943 1.061 0.474 31 0.971 1.006 0.429 0.523074e+23 22.718563 52.311426 0.241407e+08 7.382750 16.999410 0.100000e+01 0.000000 0.000000 0.221977e+09 8.346309 19.218086 0.976123e+07 6.989505 16.093929 3 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1359.823165 2.787E-9 4.289E-6 0.3460071 0.3657113 -1359.4574537 -1359.4565095 -1359.5265496 -5.5263775,3.6165088,1.9098687,-0.8206484,6.2653195,-5.2036983 C01 [X(C17H20Cl1N3O1)] -1.1022779 0.7151719 -0.8638906 -1.0615561 0.0317101 0.0926284 0.0106709 -0.0863255 0.003352 0.1448865 0.0004633 -0.0852457 -0.6546088 -0.0533826 0.0592862 -0.1150577 -0.6518278 0.1492061 0.2533984 0.1138941 -0.7361039 -0.2579321 0.227346 -0.0435826 0.1952698 -0.5053022 -0.0369711 -0.1329807 0.0990727 -0.0783097 -0.3129781 0.0629393 0.1583159 -0.0007896 -0.2916967 -0.0493146 0.2083464 -0.3088785 -0.3372596 -0.3686733 0.1471931 0.0560966 0.0680062 -0.6319081 0.0326674 0.0237191 0.1408531 -0.4258525 0.167433 -0.0055699 -0.0141883 -0.0893207 0.0813249 0.0438101 0.0203598 -0.0430224 0.0607947 0.5494666 0.0366342 -0.0662192 0.1457366 0.3445622 -0.104736 -0.3082738 -0.0152628 0.5117051 0.049788 -0.0235997 0.0406724 -0.0038233 0.1259796 0.021958 0.0651012 0.0100152 0.082093 -0.2558504 0.0604102 0.0167272 -0.1056778 0.0265376 -0.1252174 0.0695221 -0.1871392 -0.0883833 0.1077575 -0.0633047 0.0179334 0.032211 0.0485405 0.0912887 0.0723018 0.0828915 0.112876 0.1042108 -0.1802941 -0.0107185 -0.1012032 0.4503293 -0.0350951 0.1615924 -0.0384832 0.0924562 0.0262526 -0.0189249 -0.002551 -0.0134005 0.0415826 -0.0551332 -0.0219179 -0.0120699 -0.008551 -0.0406923 -0.0039516 -0.0073045 0.043029 0.0472129 0.0055216 -0.0040061 0.0057232 0.0695712 0.0956895 -0.0031163 -0.0152962 0.1318227 -0.0606232 -0.0447305 -0.228429 -0.0432909 -0.0676848 0.3178757 -0.0202838 0.0103615 -0.0616117 -0.0342508 0.0178529 0.052594 0.0312721 -0.0228211 0.253264 -0.3480036 -0.078097 -0.1858716 0.4475202 0.0071026 0.0016411 0.074141 0.1450477 -0.08276 0.051624 -0.0376742 0.0378491 0.0376601 -0.0344018 -0.0021575 -0.0290371 -0.0862478 -0.0495462 -0.0149535 -0.0306435 -0.0203687 0.0014062 -0.0174233 -0.0397766 -0.0108345 -0.0917032 0.1747481 -0.0556222 -0.1450622 -0.0714009 0.2084323 -0.1321813 -0.1813774 -0.182561 0.3926026 -0.260314 -0.0853017 0.0347359 -0.1406172 0.0316656 -0.0302289 0.0268012 -0.016542 -0.1052176 -0.3352551 0.074193 0.0028782 0.1686816 0.00836 -0.0382033 0.0069642 -0.0495977 -0.0946414 1.3463152 -0.0259348 -0.1718518 -0.0628248 0.0384066 -0.0135776 -0.1859575 -0.0155208 0.0037429 0.0024601 0.0372225 -0.0150354 0.0732091 -0.1674451 0.066776 -0.0101335 0.0021343 0.0616436 -0.0304976 -0.0037313 -0.0469851 -0.0466995 0.0177284 -0.1169976 -0.0515744 -0.0758781 -0.1213276 0.0048773 -0.0487777 -0.0356485 0.0121187 -0.0751488 -0.0145163 -0.1161189 -0.0410719 -0.005922 -0.0517448 0.0034373 0.0784137 0.0671075 0.0237503 -0.03113 0.0530399 0.0262638 -0.0570854 0.0763514 0.015446 0.0471294 0.0482517 0.0350346 0.0237319 0.0197361 0.0458387 -0.056698 -0.0941547 0.0177235 -0.0060984 -0.1155076 0.0105026 -0.0040308 -0.012476 0.008245 0.0638868 -0.1230459 -0.0364688 -0.069647 -0.038409 0.0647673 -0.0105666 -0.0743398 -0.0016945 0.0401276 0.0209216 0.0868868 -0.0086881 0.1008293 -0.157327 0.0019193 -0.0307782 0.0588415 0.0371188 0.0005823 -0.0144771 0.0815609 -0.0591151 0.0650858 0.0524333 0.0746098 -0.0009558 -0.0384394 -0.0076567 -0.0331773 0.0300667 -0.0927687 0.0329276 0.0581871 0.0876659 0.0640266 -0.027558 -0.0113081 0.0570458 -0.0108582 0.1412288 -0.1343637 0.0226052 -0.0182333 0.0088962 0.072159 0.0331201 -0.0191293 -0.0002024 -0.0484666 0.0123257 -0.1014881 -0.0466916 -0.1108387 -0.1094359 0.2771627 0.0438689 -0.0297855 0.0195813 0.4570214 0.0586342 -0.0526782 0.0684743 0.2886426 0.0033317 0.0277542 0.0214522 -0.0088406 -0.0082703 0.0886893 0.0357379 0.0863799 0.0561984 0.1122095 0.023861 0.0185078 0.0313643 0.0862901 0.0669136 0.0257612 0.0737524 0.0647215 0.0387091 -0.0612862 0.0472462 -0.0466216 -0.0038649 0.0419482 0.0601606 0.037038 0.0998195 0.0609635 0.0642474 0.0079438 0.0674436 -0.0221711 0.0250249 0.0074785 0.0255978 0.0999098 0.1101493 0.0399665 0.007353 0.025702 0.0699995 0.0499329 0.0136811 0.0538162 0.0439153 0.0335699 0.0559625 -0.0050844 0.0666057 0.0092379 0.0271504 0.0016463 0.0248063 0.1264664 0.0313646 -0.046181 0.0219124 -0.0583224 0.0063334 0.0392381 0.0311547 0.0402418 0.1189893 322.4887405|-28.5762038|229.8275075|-8.2486372|-13.6055325|167.9249233 -0.000007566 -0.000000752 0.000000738 0.000008804 0.000018284 0.000006519 0.000003352 0.000012497 -0.000003790 -0.000002935 -0.000007921 -0.000017071 0.000009822 0.000007626 0.000008277 -0.000002398 -0.000004001 0.000001691 -0.000007211 0.000000094 0.000004918 0.000001591 0.000004360 -0.000002206 0.000005648 0.000003827 -0.000001161 0.000003192 0.000000160 0.000001776 0.000002723 0.000005055 0.000000655 0.000000322 -0.000003695 -0.000000665 0.000002234 -0.000000006 -0.000000000 0.000002301 -0.000003178 -0.000000248 -0.000003594 0.000001364 -0.000000714 -0.000014661 -0.000011173 -0.000003605 0.000001048 -0.000002360 -0.000000198 0.000000091 -0.000002463 -0.000000281 -0.000000027 -0.000007309 0.000003714 -0.000003783 0.000000849 -0.000000799 -0.000004341 -0.000001061 0.000000775 0.000010970 -0.000001639 -0.000001608 0.000000704 0.000000528 0.000002022 0.000001155 0.000001556 0.000001987 0.000000956 -0.000000550 0.000000686 0.000000720 0.000000403 0.000000544 -0.000000747 -0.000000206 0.000000543 0.000000029 -0.000000645 -0.000000392 0.000000659 -0.000000711 0.000000653 0.000000400 -0.000001055 0.000001647 0.000000155 -0.000002636 0.000001388 0.000000537 0.000000154 0.000000482 0.000000785 0.000000800 0.000001038 0.000000312 0.000001223 0.000000742 -0.000004460 -0.000007978 -0.000003518 -0.000002033 0.000001112 0.000000528 -0.000001842 0.000000026 -0.000000393 -0.000000083 -0.000000848 -0.000001894 -0.000003425 0.000002422 -0.000000190 0.000000532 -0.000000565 -0.000002078 -0.000000289 -0.000001463 -0.000000805 0.000000352 -0.000000123 0.000000293 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 14-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/CONF3/opt #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 CONF3 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 1942.9555749664 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 -0.0524154132 0.000000 8.952623 0.000000 8.373700 2.943437 0.000000 8.705592 2.855716 1.360454 0.000000 7.539105 4.708525 2.195492 2.258833 0.000000 9.331732 2.439591 3.872192 4.546469 5.903724 0.000000 8.468605 1.416863 2.501687 3.074894 4.441737 1.566246 0.000000 8.683311 3.662455 4.305185 5.279926 6.103440 1.544193 2.416829 0.000000 7.003678 2.490658 2.974285 3.656208 4.339509 2.433402 1.535853 2.427226 0.000000 7.156070 3.663954 4.107449 5.019546 5.494130 2.449179 2.482303 1.542121 1.514576 0.000000 8.933091 2.420252 1.455385 2.441565 3.615939 2.575179 1.560004 3.109618 2.524033 3.348470 0.000000 9.530157 2.735201 5.016554 5.414768 6.925156 1.542187 2.524401 2.530764 3.072648 3.069652 3.895000 0.000000 10.769286 3.184978 4.356087 4.995335 6.536349 1.532172 2.602977 2.563171 3.816746 3.828647 2.932603 2.498880 0.000000 6.031977 2.973236 3.078299 3.459674 3.774527 3.698835 2.515813 3.742535 1.339423 2.578169 3.245542 4.136349 5.037769 0.000000 4.566811 4.413813 4.215805 4.598835 4.287520 4.956212 3.931914 4.678008 2.544562 3.239147 4.555205 5.287134 6.360275 1.467383 0.000000 7.656504 4.125310 1.348163 2.206897 1.323221 4.856017 3.528059 4.929185 3.483723 4.466011 2.542804 6.029961 5.455786 3.285239 4.005729 0.000000 4.018835 5.211157 4.588126 4.732794 3.969262 6.143177 4.924106 5.967490 3.724969 4.583022 5.302508 6.517523 7.464741 2.461308 1.406961 4.117128 0.000000 4.022807 5.335795 5.345332 5.889408 5.537332 5.354686 4.685857 4.752471 3.159640 3.210420 5.440541 5.548226 6.829432 2.545600 1.405681 5.110558 2.404125 0.000000 8.197330 4.015834 2.099312 1.325591 1.357643 5.679412 4.152808 6.213910 4.357178 5.717148 3.489733 6.539834 6.235973 3.807296 4.594235 2.096093 4.340444 5.952943 0.000000 2.729958 6.577251 5.879208 6.049675 5.000374 7.378469 6.246086 7.041644 4.948580 5.574771 6.610592 7.701804 8.739346 3.757174 2.443542 5.241788 1.389400 2.788555 5.514905 0.000000 2.728892 6.675801 6.493625 6.998398 6.327817 6.732364 6.059177 6.041305 4.535281 4.507657 6.724998 6.893780 8.201289 3.811401 2.438627 6.061851 2.779246 1.391257 6.865539 2.419661 0.000000 1.759452 7.199398 6.709420 7.056285 6.089514 7.620247 6.716320 7.061452 5.264523 5.531681 7.219437 7.852923 9.052998 4.272786 2.807366 6.106270 2.397062 2.403307 6.670161 1.391570 1.391182 0.000000 9.179331 4.496887 5.393203 6.342522 7.185586 2.197086 3.389995 1.092250 3.349813 2.206692 4.159776 2.691351 2.963242 4.625750 5.429525 6.007766 6.781418 5.272502 7.295637 7.769961 6.487346 7.631617 0.000000 9.005018 4.169179 4.124233 5.271546 5.898122 2.180449 2.814640 1.095169 2.951536 2.182236 2.923203 3.470716 2.695167 4.197686 5.104717 4.626338 6.290513 5.243175 6.154847 7.347708 6.471157 7.414597 1.754650 0.000000 6.974164 4.112273 5.032681 5.799498 6.329926 2.955187 3.181972 2.172429 2.149545 1.094611 4.304281 3.026114 4.402724 2.961443 3.371453 5.407062 4.777991 3.017477 6.481060 5.646140 4.249115 5.417961 2.392931 3.033951 0.000000 6.646259 4.542465 4.345406 5.398038 5.430663 3.384461 3.285979 2.214306 2.181776 1.094536 3.778412 4.146605 4.616132 2.916332 3.194435 4.383242 4.448169 2.969056 5.907232 5.272478 4.096176 5.115510 2.776428 2.416763 1.753011 0.000000 8.891718 3.369695 2.060473 3.310273 3.933663 2.784912 2.204293 2.792285 2.773629 3.146548 1.089515 4.268718 3.080697 3.620136 4.739440 2.664345 5.553925 5.434722 4.149273 6.759233 6.664806 7.234299 3.809647 2.261254 4.208531 3.328800 0.000000 9.993772 2.620316 2.066450 2.679510 4.208216 2.853542 2.177160 3.687990 3.467656 4.234249 1.089784 4.118960 2.653431 4.211664 5.577911 3.267450 6.282548 6.486757 3.865772 7.615945 7.788783 8.273629 4.632256 3.457024 5.138427 4.746725 1.775638 0.000000 8.648718 2.889090 5.152225 5.502001 6.829225 2.200796 2.718539 2.793959 2.736948 2.763368 4.242555 1.092253 3.470679 3.596184 4.570723 6.027925 5.822381 4.728421 6.488533 6.929530 6.030344 7.006721 2.973561 3.844601 2.427164 3.838355 4.626414 4.679991 0.000000 10.167958 3.801409 5.948698 6.437652 7.899794 2.168843 3.477875 2.771867 3.938004 3.561251 4.720318 1.093859 2.750932 5.067265 6.111406 6.929165 7.407730 6.179694 7.575858 8.526518 7.475744 8.544969 2.490300 3.686987 3.374849 4.563784 4.928769 4.881251 1.773029 0.000000 10.137160 2.488868 5.161974 5.308782 7.083305 2.178425 2.825280 3.483940 3.662911 3.995262 4.129435 1.090075 2.715788 4.558324 5.804752 6.309341 6.912486 6.239005 6.495450 8.154811 7.586392 8.438740 3.725520 4.316279 3.994400 5.078950 4.715827 4.143868 1.757140 1.776158 0.000000 11.254387 2.914564 4.396487 4.754925 6.575662 2.173566 2.827238 3.505497 4.253740 4.582036 3.120459 2.791025 1.093472 5.324857 6.736686 5.638340 7.736741 7.361440 6.062529 9.069258 8.750103 9.508775 3.961670 3.694018 5.119889 5.434215 3.570288 2.558026 3.776977 3.188057 2.561082 0.000000 11.404737 4.086393 5.427440 6.080958 7.595560 2.165052 3.537957 2.888221 4.578841 4.305783 3.990174 2.672453 1.093574 5.854973 7.104572 6.484062 8.293352 7.411011 7.320257 9.523407 8.762043 9.720283 2.875040 3.084961 4.708388 5.090493 4.011799 3.727033 3.710821 2.469754 2.950384 1.766610 0.000000 10.914159 3.735405 4.112398 4.928847 6.257204 2.198443 2.939880 2.775263 4.099075 4.067751 2.695224 3.473885 1.093479 5.298007 6.581468 5.099867 7.619003 7.082363 6.102485 8.875239 8.418844 9.219342 3.278203 2.453983 4.830708 4.642830 2.565601 2.333060 4.351310 3.722975 3.764819 1.775590 1.759193 0.000000 8.889547 0.970587 2.464705 2.015886 4.017313 3.263480 1.965898 4.372412 2.883324 4.241337 2.421328 3.703645 3.877069 3.024346 4.424418 3.639296 4.978282 5.536057 3.161541 6.363400 6.810395 7.153466 5.295708 4.732326 4.779521 4.983587 3.476689 2.587753 3.798268 4.768440 3.420858 3.519862 4.860164 4.244580 0.000000 6.504522 2.651937 2.735696 2.700034 3.271855 4.076103 2.655593 4.453854 2.066100 3.511882 3.218879 4.486953 5.253571 1.086996 2.147164 3.072542 2.597286 3.436116 2.996885 3.980029 4.573245 4.778941 5.394558 4.861693 3.928388 3.922703 3.851179 4.040779 4.041185 5.517917 4.663193 5.326531 6.164980 5.520810 2.392648 0.000000 7.465405 4.762485 2.135884 3.234968 2.148173 4.993023 3.881611 4.741112 3.632646 4.273917 2.882994 6.266121 5.603067 3.587065 4.104635 1.078783 4.324992 4.980802 3.152692 5.302232 5.857817 5.985576 5.765471 4.281315 5.262999 3.952416 2.574453 3.691141 6.262843 7.060938 6.705384 5.972461 6.552716 5.132081 4.443400 3.681536 0.000000 4.866816 4.965433 4.127056 4.032487 3.233237 6.250942 4.863562 6.287836 3.938935 5.052097 5.068203 6.696010 7.451757 2.643698 2.155082 3.662490 1.084470 3.389993 3.464413 2.136908 3.863660 3.376382 7.196996 6.551680 5.381325 5.018563 5.457175 5.954891 6.103942 7.669542 6.950828 7.593438 8.365865 7.571763 4.542525 2.335821 4.097282 0.000000 4.855631 5.215115 5.550982 6.205184 6.115418 4.811387 4.451056 4.068483 2.955717 2.570180 5.357180 4.909838 6.299425 2.802213 2.163098 5.490249 3.393616 1.080004 6.475602 3.868079 2.126762 3.371527 4.424572 4.660059 2.133701 2.409317 5.277627 6.366721 4.089267 5.402430 5.713424 6.921567 6.753980 6.610320 5.596216 3.821798 5.298767 4.298289 0.000000 8.510568 4.630996 3.139066 2.103865 2.151781 6.544839 5.007738 7.176928 5.212605 6.634798 4.471894 7.268260 7.090918 4.522386 5.196321 3.138671 4.730445 6.592731 1.079212 5.808229 7.413723 7.069044 8.245621 7.181708 7.320470 6.862668 5.198923 4.745324 7.172619 8.333708 7.112176 6.806640 8.171728 7.022707 3.702990 3.583541 4.166116 3.723679 7.195800 0.000000 2.867309 7.297757 6.413089 6.449247 5.199464 8.287457 7.062090 8.017537 5.860080 6.583947 7.308243 8.639391 9.600332 4.615293 3.424392 5.676775 2.154231 3.871004 5.719210 1.082465 3.398807 2.149879 8.787962 8.275612 6.702588 6.273886 7.495405 8.272443 7.887798 9.504766 9.025789 9.869466 10.432087 9.701416 6.969474 4.651755 5.797001 2.468520 4.950467 5.849186 0.000000 2.862206 7.456090 7.394421 7.974186 7.332235 7.250847 6.770720 6.415022 5.237264 4.932225 7.496285 7.331650 8.722717 4.695492 3.419601 6.981597 3.861804 2.153856 7.899439 3.397653 1.082635 2.147581 6.699472 6.863797 4.522073 4.460092 7.350840 8.558011 6.446852 7.781928 8.100100 9.348332 9.177640 8.957080 7.683374 5.535763 6.685743 4.946214 2.452471 8.478040 4.288246 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4311763 0.1509245 0.1214819 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= 1.03D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 7.44D-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= 627 627 627 627 627 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82316500422 -1359.82316500408 0.000000000139 -1359.82316500 2 1.354834858471e+03 -7.070923766405e+03 2.413362583377e+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. PT1186.800S Sat Aug 14 10:20:52 2021 GINC-BELVIS20 PAULAPLA 14-Aug-2021 0 Wavefunction triticonazole_Z CONF3 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.823165 RMSD=9.286e-10 Dipole=-1.1022778,0.7151719,-0.8638906 Quadrupole=-5.5263771,3.6165087,1.9098683,-0.8206486,6.2653194,-5.2036982 PG=C01 [X(C17H20Cl1N3O1)] 0 5.9967799191 0.1201839453 -0.2911428972 0 -2.7437277198 0.1190209662 1.6461205617 0 -2.1526393099 -1.7920242566 -0.5131249091 0 -2.2503713951 -2.5075835952 0.6398099743 0 -0.6614377079 -3.3925458469 -0.6997634818 0 -3.156372004 1.9069217334 0.0384082723 0 -2.438273766 0.5458949114 0.3300739797 0 -2.3213633169 2.464711716 -1.1346918027 0 -0.9571764045 0.8661170062 0.0797687066 0 -0.862147698 2.0970452049 -0.7975721734 0 -2.9025711437 -0.5550093888 -0.6729464407 0 -3.0089096267 2.8159801257 1.2754236721 0 -4.6446805426 1.7744968732 -0.3006366228 0 0.0259288019 0.0966861175 0.5650864365 0 1.4757967421 0.1723740162 0.3520921346 0 -1.1884250955 -2.3301012482 -1.2866278561 0 2.2329603147 -0.9928068761 0.5725401214 0 2.1657416949 1.3255353421 -0.0603797447 0 -1.3393383123 -3.4562561551 0.4747941571 0 3.6078597149 -1.0212368679 0.3743569106 0 3.5435769463 1.3148313598 -0.2528683556 0 4.2554925763 0.1387762282 -0.03965842 0 -2.4664986136 3.540080896 -1.2593030323 0 -2.6282813044 1.995154415 -2.0752830634 0 -0.3926695083 2.9150891358 -0.2420838461 0 -0.243997548 1.9315559724 -1.6855539703 0 -2.7747559619 -0.2307997287 -1.705223102 0 -3.9542404751 -0.780004465 -0.4968844521 0 -1.970318367 2.9023221372 1.6023636559 0 -3.3811685798 3.8173101743 1.0402875801 0 -3.5795826766 2.4162220848 2.1137492959 0 -5.1744308538 1.2390627904 0.492053053 0 -5.0962945215 2.7662069746 -0.3926151024 0 -4.8161508104 1.2541251675 -1.246949371 0 -2.6103462717 -0.8399772451 1.7137300908 0 -0.2793125511 -0.7440020472 1.1828498835 0 -0.9120272924 -1.923354236 -2.2468015744 0 1.7284910424 -1.9001600437 0.8860630853 0 1.6358580459 2.2540740507 -0.2135032109 0 -1.1685517123 -4.2152301213 1.2227840632 0 4.1721844749 -1.9303237715 0.5381516064 0 4.0630867686 2.2129490545 -0.5620499559 Gaussian 16 14-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/CONF3/opt #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 CONF3 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 1942.9555749664 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 -0.0524154132 0.000000 8.952623 0.000000 8.373700 2.943437 0.000000 8.705592 2.855716 1.360454 0.000000 7.539105 4.708525 2.195492 2.258833 0.000000 9.331732 2.439591 3.872192 4.546469 5.903724 0.000000 8.468605 1.416863 2.501687 3.074894 4.441737 1.566246 0.000000 8.683311 3.662455 4.305185 5.279926 6.103440 1.544193 2.416829 0.000000 7.003678 2.490658 2.974285 3.656208 4.339509 2.433402 1.535853 2.427226 0.000000 7.156070 3.663954 4.107449 5.019546 5.494130 2.449179 2.482303 1.542121 1.514576 0.000000 8.933091 2.420252 1.455385 2.441565 3.615939 2.575179 1.560004 3.109618 2.524033 3.348470 0.000000 9.530157 2.735201 5.016554 5.414768 6.925156 1.542187 2.524401 2.530764 3.072648 3.069652 3.895000 0.000000 10.769286 3.184978 4.356087 4.995335 6.536349 1.532172 2.602977 2.563171 3.816746 3.828647 2.932603 2.498880 0.000000 6.031977 2.973236 3.078299 3.459674 3.774527 3.698835 2.515813 3.742535 1.339423 2.578169 3.245542 4.136349 5.037769 0.000000 4.566811 4.413813 4.215805 4.598835 4.287520 4.956212 3.931914 4.678008 2.544562 3.239147 4.555205 5.287134 6.360275 1.467383 0.000000 7.656504 4.125310 1.348163 2.206897 1.323221 4.856017 3.528059 4.929185 3.483723 4.466011 2.542804 6.029961 5.455786 3.285239 4.005729 0.000000 4.018835 5.211157 4.588126 4.732794 3.969262 6.143177 4.924106 5.967490 3.724969 4.583022 5.302508 6.517523 7.464741 2.461308 1.406961 4.117128 0.000000 4.022807 5.335795 5.345332 5.889408 5.537332 5.354686 4.685857 4.752471 3.159640 3.210420 5.440541 5.548226 6.829432 2.545600 1.405681 5.110558 2.404125 0.000000 8.197330 4.015834 2.099312 1.325591 1.357643 5.679412 4.152808 6.213910 4.357178 5.717148 3.489733 6.539834 6.235973 3.807296 4.594235 2.096093 4.340444 5.952943 0.000000 2.729958 6.577251 5.879208 6.049675 5.000374 7.378469 6.246086 7.041644 4.948580 5.574771 6.610592 7.701804 8.739346 3.757174 2.443542 5.241788 1.389400 2.788555 5.514905 0.000000 2.728892 6.675801 6.493625 6.998398 6.327817 6.732364 6.059177 6.041305 4.535281 4.507657 6.724998 6.893780 8.201289 3.811401 2.438627 6.061851 2.779246 1.391257 6.865539 2.419661 0.000000 1.759452 7.199398 6.709420 7.056285 6.089514 7.620247 6.716320 7.061452 5.264523 5.531681 7.219437 7.852923 9.052998 4.272786 2.807366 6.106270 2.397062 2.403307 6.670161 1.391570 1.391182 0.000000 9.179331 4.496887 5.393203 6.342522 7.185586 2.197086 3.389995 1.092250 3.349813 2.206692 4.159776 2.691351 2.963242 4.625750 5.429525 6.007766 6.781418 5.272502 7.295637 7.769961 6.487346 7.631617 0.000000 9.005018 4.169179 4.124233 5.271546 5.898122 2.180449 2.814640 1.095169 2.951536 2.182236 2.923203 3.470716 2.695167 4.197686 5.104717 4.626338 6.290513 5.243175 6.154847 7.347708 6.471157 7.414597 1.754650 0.000000 6.974164 4.112273 5.032681 5.799498 6.329926 2.955187 3.181972 2.172429 2.149545 1.094611 4.304281 3.026114 4.402724 2.961443 3.371453 5.407062 4.777991 3.017477 6.481060 5.646140 4.249115 5.417961 2.392931 3.033951 0.000000 6.646259 4.542465 4.345406 5.398038 5.430663 3.384461 3.285979 2.214306 2.181776 1.094536 3.778412 4.146605 4.616132 2.916332 3.194435 4.383242 4.448169 2.969056 5.907232 5.272478 4.096176 5.115510 2.776428 2.416763 1.753011 0.000000 8.891718 3.369695 2.060473 3.310273 3.933663 2.784912 2.204293 2.792285 2.773629 3.146548 1.089515 4.268718 3.080697 3.620136 4.739440 2.664345 5.553925 5.434722 4.149273 6.759233 6.664806 7.234299 3.809647 2.261254 4.208531 3.328800 0.000000 9.993772 2.620316 2.066450 2.679510 4.208216 2.853542 2.177160 3.687990 3.467656 4.234249 1.089784 4.118960 2.653431 4.211664 5.577911 3.267450 6.282548 6.486757 3.865772 7.615945 7.788783 8.273629 4.632256 3.457024 5.138427 4.746725 1.775638 0.000000 8.648718 2.889090 5.152225 5.502001 6.829225 2.200796 2.718539 2.793959 2.736948 2.763368 4.242555 1.092253 3.470679 3.596184 4.570723 6.027925 5.822381 4.728421 6.488533 6.929530 6.030344 7.006721 2.973561 3.844601 2.427164 3.838355 4.626414 4.679991 0.000000 10.167958 3.801409 5.948698 6.437652 7.899794 2.168843 3.477875 2.771867 3.938004 3.561251 4.720318 1.093859 2.750932 5.067265 6.111406 6.929165 7.407730 6.179694 7.575858 8.526518 7.475744 8.544969 2.490300 3.686987 3.374849 4.563784 4.928769 4.881251 1.773029 0.000000 10.137160 2.488868 5.161974 5.308782 7.083305 2.178425 2.825280 3.483940 3.662911 3.995262 4.129435 1.090075 2.715788 4.558324 5.804752 6.309341 6.912486 6.239005 6.495450 8.154811 7.586392 8.438740 3.725520 4.316279 3.994400 5.078950 4.715827 4.143868 1.757140 1.776158 0.000000 11.254387 2.914564 4.396487 4.754925 6.575662 2.173566 2.827238 3.505497 4.253740 4.582036 3.120459 2.791025 1.093472 5.324857 6.736686 5.638340 7.736741 7.361440 6.062529 9.069258 8.750103 9.508775 3.961670 3.694018 5.119889 5.434215 3.570288 2.558026 3.776977 3.188057 2.561082 0.000000 11.404737 4.086393 5.427440 6.080958 7.595560 2.165052 3.537957 2.888221 4.578841 4.305783 3.990174 2.672453 1.093574 5.854973 7.104572 6.484062 8.293352 7.411011 7.320257 9.523407 8.762043 9.720283 2.875040 3.084961 4.708388 5.090493 4.011799 3.727033 3.710821 2.469754 2.950384 1.766610 0.000000 10.914159 3.735405 4.112398 4.928847 6.257204 2.198443 2.939880 2.775263 4.099075 4.067751 2.695224 3.473885 1.093479 5.298007 6.581468 5.099867 7.619003 7.082363 6.102485 8.875239 8.418844 9.219342 3.278203 2.453983 4.830708 4.642830 2.565601 2.333060 4.351310 3.722975 3.764819 1.775590 1.759193 0.000000 8.889547 0.970587 2.464705 2.015886 4.017313 3.263480 1.965898 4.372412 2.883324 4.241337 2.421328 3.703645 3.877069 3.024346 4.424418 3.639296 4.978282 5.536057 3.161541 6.363400 6.810395 7.153466 5.295708 4.732326 4.779521 4.983587 3.476689 2.587753 3.798268 4.768440 3.420858 3.519862 4.860164 4.244580 0.000000 6.504522 2.651937 2.735696 2.700034 3.271855 4.076103 2.655593 4.453854 2.066100 3.511882 3.218879 4.486953 5.253571 1.086996 2.147164 3.072542 2.597286 3.436116 2.996885 3.980029 4.573245 4.778941 5.394558 4.861693 3.928388 3.922703 3.851179 4.040779 4.041185 5.517917 4.663193 5.326531 6.164980 5.520810 2.392648 0.000000 7.465405 4.762485 2.135884 3.234968 2.148173 4.993023 3.881611 4.741112 3.632646 4.273917 2.882994 6.266121 5.603067 3.587065 4.104635 1.078783 4.324992 4.980802 3.152692 5.302232 5.857817 5.985576 5.765471 4.281315 5.262999 3.952416 2.574453 3.691141 6.262843 7.060938 6.705384 5.972461 6.552716 5.132081 4.443400 3.681536 0.000000 4.866816 4.965433 4.127056 4.032487 3.233237 6.250942 4.863562 6.287836 3.938935 5.052097 5.068203 6.696010 7.451757 2.643698 2.155082 3.662490 1.084470 3.389993 3.464413 2.136908 3.863660 3.376382 7.196996 6.551680 5.381325 5.018563 5.457175 5.954891 6.103942 7.669542 6.950828 7.593438 8.365865 7.571763 4.542525 2.335821 4.097282 0.000000 4.855631 5.215115 5.550982 6.205184 6.115418 4.811387 4.451056 4.068483 2.955717 2.570180 5.357180 4.909838 6.299425 2.802213 2.163098 5.490249 3.393616 1.080004 6.475602 3.868079 2.126762 3.371527 4.424572 4.660059 2.133701 2.409317 5.277627 6.366721 4.089267 5.402430 5.713424 6.921567 6.753980 6.610320 5.596216 3.821798 5.298767 4.298289 0.000000 8.510568 4.630996 3.139066 2.103865 2.151781 6.544839 5.007738 7.176928 5.212605 6.634798 4.471894 7.268260 7.090918 4.522386 5.196321 3.138671 4.730445 6.592731 1.079212 5.808229 7.413723 7.069044 8.245621 7.181708 7.320470 6.862668 5.198923 4.745324 7.172619 8.333708 7.112176 6.806640 8.171728 7.022707 3.702990 3.583541 4.166116 3.723679 7.195800 0.000000 2.867309 7.297757 6.413089 6.449247 5.199464 8.287457 7.062090 8.017537 5.860080 6.583947 7.308243 8.639391 9.600332 4.615293 3.424392 5.676775 2.154231 3.871004 5.719210 1.082465 3.398807 2.149879 8.787962 8.275612 6.702588 6.273886 7.495405 8.272443 7.887798 9.504766 9.025789 9.869466 10.432087 9.701416 6.969474 4.651755 5.797001 2.468520 4.950467 5.849186 0.000000 2.862206 7.456090 7.394421 7.974186 7.332235 7.250847 6.770720 6.415022 5.237264 4.932225 7.496285 7.331650 8.722717 4.695492 3.419601 6.981597 3.861804 2.153856 7.899439 3.397653 1.082635 2.147581 6.699472 6.863797 4.522073 4.460092 7.350840 8.558011 6.446852 7.781928 8.100100 9.348332 9.177640 8.957080 7.683374 5.535763 6.685743 4.946214 2.452471 8.478040 4.288246 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4311763 0.1509245 0.1214819 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= 1.03D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 7.44D-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= 627 627 627 627 627 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82316500421 -1359.82316500 1 1.354834858518e+03 -7.070923765835e+03 2.413362582759e+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 4.5538 272.27 0.5126 0.000 83 85 0.13103 84 85 0.63555 84 86 0.22562 84 87 -0.12524 -1359.65581647 2 Singlet-A 4.6503 266.62 0.1320 0.000 83 85 0.30184 84 85 -0.27819 84 86 0.56049 84 87 -0.10591 3 Singlet-A 4.8739 254.39 0.0198 0.000 84 86 0.20188 84 87 0.66305 4 Singlet-A 5.2640 235.53 0.0031 0.000 84 88 0.66982 84 89 0.18848 5 Singlet-A 5.4083 229.25 0.0069 0.000 80 85 0.16007 82 85 0.67238 6 Singlet-A 5.5076 225.11 0.0009 0.000 84 88 -0.17970 84 89 0.64144 84 91 -0.13339 84 92 0.12926 7 Singlet-A 5.6126 220.90 0.0744 0.000 80 86 0.16071 82 86 -0.12938 83 85 0.56360 84 86 -0.27691 84 87 0.14786 8 Singlet-A 5.7290 216.42 0.0010 0.000 80 85 0.41220 81 85 -0.12228 84 90 0.42151 84 92 -0.20901 84 93 -0.19536 84 94 0.15432 9 Singlet-A 5.7645 215.08 0.0042 0.000 80 85 0.14245 81 85 0.67794 82 85 -0.10024 10 Singlet-A 5.8250 212.85 0.0033 0.000 80 85 -0.13063 84 89 0.19185 84 90 0.10639 84 91 0.55600 84 92 -0.28342 84 93 -0.11123 PT40780.100S Sat Aug 14 11:03:25 2021 GINC-BELVIS20 PAULAPLA 14-Aug-2021 0 Electronic spectrum triticonazole_Z CONF3 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.823165 RMSD=4.881e-09 PG=C01 [X(C17H20Cl1N3O1)] 0 5.9967799191 0.1201839453 -0.2911428972 0 -2.7437277198 0.1190209662 1.6461205617 0 -2.1526393099 -1.7920242566 -0.5131249091 0 -2.2503713951 -2.5075835952 0.6398099743 0 -0.6614377079 -3.3925458469 -0.6997634818 0 -3.156372004 1.9069217334 0.0384082723 0 -2.438273766 0.5458949114 0.3300739797 0 -2.3213633169 2.464711716 -1.1346918027 0 -0.9571764045 0.8661170062 0.0797687066 0 -0.862147698 2.0970452049 -0.7975721734 0 -2.9025711437 -0.5550093888 -0.6729464407 0 -3.0089096267 2.8159801257 1.2754236721 0 -4.6446805426 1.7744968732 -0.3006366228 0 0.0259288019 0.0966861175 0.5650864365 0 1.4757967421 0.1723740162 0.3520921346 0 -1.1884250955 -2.3301012482 -1.2866278561 0 2.2329603147 -0.9928068761 0.5725401214 0 2.1657416949 1.3255353421 -0.0603797447 0 -1.3393383123 -3.4562561551 0.4747941571 0 3.6078597149 -1.0212368679 0.3743569106 0 3.5435769463 1.3148313598 -0.2528683556 0 4.2554925763 0.1387762282 -0.03965842 0 -2.4664986136 3.540080896 -1.2593030323 0 -2.6282813044 1.995154415 -2.0752830634 0 -0.3926695083 2.9150891358 -0.2420838461 0 -0.243997548 1.9315559724 -1.6855539703 0 -2.7747559619 -0.2307997287 -1.705223102 0 -3.9542404751 -0.780004465 -0.4968844521 0 -1.970318367 2.9023221372 1.6023636559 0 -3.3811685798 3.8173101743 1.0402875801 0 -3.5795826766 2.4162220848 2.1137492959 0 -5.1744308538 1.2390627904 0.492053053 0 -5.0962945215 2.7662069746 -0.3926151024 0 -4.8161508104 1.2541251675 -1.246949371 0 -2.6103462717 -0.8399772451 1.7137300908 0 -0.2793125511 -0.7440020472 1.1828498835 0 -0.9120272924 -1.923354236 -2.2468015744 0 1.7284910424 -1.9001600437 0.8860630853 0 1.6358580459 2.2540740507 -0.2135032109 0 -1.1685517123 -4.2152301213 1.2227840632 0 4.1721844749 -1.9303237715 0.5381516064 0 4.0630867686 2.2129490545 -0.5620499559 Gaussian 16 14-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/CONF3/opt #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 CONF3 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 1942.9555749664 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 -0.0524154132 0.000000 8.952623 0.000000 8.373700 2.943437 0.000000 8.705592 2.855716 1.360454 0.000000 7.539105 4.708525 2.195492 2.258833 0.000000 9.331732 2.439591 3.872192 4.546469 5.903724 0.000000 8.468605 1.416863 2.501687 3.074894 4.441737 1.566246 0.000000 8.683311 3.662455 4.305185 5.279926 6.103440 1.544193 2.416829 0.000000 7.003678 2.490658 2.974285 3.656208 4.339509 2.433402 1.535853 2.427226 0.000000 7.156070 3.663954 4.107449 5.019546 5.494130 2.449179 2.482303 1.542121 1.514576 0.000000 8.933091 2.420252 1.455385 2.441565 3.615939 2.575179 1.560004 3.109618 2.524033 3.348470 0.000000 9.530157 2.735201 5.016554 5.414768 6.925156 1.542187 2.524401 2.530764 3.072648 3.069652 3.895000 0.000000 10.769286 3.184978 4.356087 4.995335 6.536349 1.532172 2.602977 2.563171 3.816746 3.828647 2.932603 2.498880 0.000000 6.031977 2.973236 3.078299 3.459674 3.774527 3.698835 2.515813 3.742535 1.339423 2.578169 3.245542 4.136349 5.037769 0.000000 4.566811 4.413813 4.215805 4.598835 4.287520 4.956212 3.931914 4.678008 2.544562 3.239147 4.555205 5.287134 6.360275 1.467383 0.000000 7.656504 4.125310 1.348163 2.206897 1.323221 4.856017 3.528059 4.929185 3.483723 4.466011 2.542804 6.029961 5.455786 3.285239 4.005729 0.000000 4.018835 5.211157 4.588126 4.732794 3.969262 6.143177 4.924106 5.967490 3.724969 4.583022 5.302508 6.517523 7.464741 2.461308 1.406961 4.117128 0.000000 4.022807 5.335795 5.345332 5.889408 5.537332 5.354686 4.685857 4.752471 3.159640 3.210420 5.440541 5.548226 6.829432 2.545600 1.405681 5.110558 2.404125 0.000000 8.197330 4.015834 2.099312 1.325591 1.357643 5.679412 4.152808 6.213910 4.357178 5.717148 3.489733 6.539834 6.235973 3.807296 4.594235 2.096093 4.340444 5.952943 0.000000 2.729958 6.577251 5.879208 6.049675 5.000374 7.378469 6.246086 7.041644 4.948580 5.574771 6.610592 7.701804 8.739346 3.757174 2.443542 5.241788 1.389400 2.788555 5.514905 0.000000 2.728892 6.675801 6.493625 6.998398 6.327817 6.732364 6.059177 6.041305 4.535281 4.507657 6.724998 6.893780 8.201289 3.811401 2.438627 6.061851 2.779246 1.391257 6.865539 2.419661 0.000000 1.759452 7.199398 6.709420 7.056285 6.089514 7.620247 6.716320 7.061452 5.264523 5.531681 7.219437 7.852923 9.052998 4.272786 2.807366 6.106270 2.397062 2.403307 6.670161 1.391570 1.391182 0.000000 9.179331 4.496887 5.393203 6.342522 7.185586 2.197086 3.389995 1.092250 3.349813 2.206692 4.159776 2.691351 2.963242 4.625750 5.429525 6.007766 6.781418 5.272502 7.295637 7.769961 6.487346 7.631617 0.000000 9.005018 4.169179 4.124233 5.271546 5.898122 2.180449 2.814640 1.095169 2.951536 2.182236 2.923203 3.470716 2.695167 4.197686 5.104717 4.626338 6.290513 5.243175 6.154847 7.347708 6.471157 7.414597 1.754650 0.000000 6.974164 4.112273 5.032681 5.799498 6.329926 2.955187 3.181972 2.172429 2.149545 1.094611 4.304281 3.026114 4.402724 2.961443 3.371453 5.407062 4.777991 3.017477 6.481060 5.646140 4.249115 5.417961 2.392931 3.033951 0.000000 6.646259 4.542465 4.345406 5.398038 5.430663 3.384461 3.285979 2.214306 2.181776 1.094536 3.778412 4.146605 4.616132 2.916332 3.194435 4.383242 4.448169 2.969056 5.907232 5.272478 4.096176 5.115510 2.776428 2.416763 1.753011 0.000000 8.891718 3.369695 2.060473 3.310273 3.933663 2.784912 2.204293 2.792285 2.773629 3.146548 1.089515 4.268718 3.080697 3.620136 4.739440 2.664345 5.553925 5.434722 4.149273 6.759233 6.664806 7.234299 3.809647 2.261254 4.208531 3.328800 0.000000 9.993772 2.620316 2.066450 2.679510 4.208216 2.853542 2.177160 3.687990 3.467656 4.234249 1.089784 4.118960 2.653431 4.211664 5.577911 3.267450 6.282548 6.486757 3.865772 7.615945 7.788783 8.273629 4.632256 3.457024 5.138427 4.746725 1.775638 0.000000 8.648718 2.889090 5.152225 5.502001 6.829225 2.200796 2.718539 2.793959 2.736948 2.763368 4.242555 1.092253 3.470679 3.596184 4.570723 6.027925 5.822381 4.728421 6.488533 6.929530 6.030344 7.006721 2.973561 3.844601 2.427164 3.838355 4.626414 4.679991 0.000000 10.167958 3.801409 5.948698 6.437652 7.899794 2.168843 3.477875 2.771867 3.938004 3.561251 4.720318 1.093859 2.750932 5.067265 6.111406 6.929165 7.407730 6.179694 7.575858 8.526518 7.475744 8.544969 2.490300 3.686987 3.374849 4.563784 4.928769 4.881251 1.773029 0.000000 10.137160 2.488868 5.161974 5.308782 7.083305 2.178425 2.825280 3.483940 3.662911 3.995262 4.129435 1.090075 2.715788 4.558324 5.804752 6.309341 6.912486 6.239005 6.495450 8.154811 7.586392 8.438740 3.725520 4.316279 3.994400 5.078950 4.715827 4.143868 1.757140 1.776158 0.000000 11.254387 2.914564 4.396487 4.754925 6.575662 2.173566 2.827238 3.505497 4.253740 4.582036 3.120459 2.791025 1.093472 5.324857 6.736686 5.638340 7.736741 7.361440 6.062529 9.069258 8.750103 9.508775 3.961670 3.694018 5.119889 5.434215 3.570288 2.558026 3.776977 3.188057 2.561082 0.000000 11.404737 4.086393 5.427440 6.080958 7.595560 2.165052 3.537957 2.888221 4.578841 4.305783 3.990174 2.672453 1.093574 5.854973 7.104572 6.484062 8.293352 7.411011 7.320257 9.523407 8.762043 9.720283 2.875040 3.084961 4.708388 5.090493 4.011799 3.727033 3.710821 2.469754 2.950384 1.766610 0.000000 10.914159 3.735405 4.112398 4.928847 6.257204 2.198443 2.939880 2.775263 4.099075 4.067751 2.695224 3.473885 1.093479 5.298007 6.581468 5.099867 7.619003 7.082363 6.102485 8.875239 8.418844 9.219342 3.278203 2.453983 4.830708 4.642830 2.565601 2.333060 4.351310 3.722975 3.764819 1.775590 1.759193 0.000000 8.889547 0.970587 2.464705 2.015886 4.017313 3.263480 1.965898 4.372412 2.883324 4.241337 2.421328 3.703645 3.877069 3.024346 4.424418 3.639296 4.978282 5.536057 3.161541 6.363400 6.810395 7.153466 5.295708 4.732326 4.779521 4.983587 3.476689 2.587753 3.798268 4.768440 3.420858 3.519862 4.860164 4.244580 0.000000 6.504522 2.651937 2.735696 2.700034 3.271855 4.076103 2.655593 4.453854 2.066100 3.511882 3.218879 4.486953 5.253571 1.086996 2.147164 3.072542 2.597286 3.436116 2.996885 3.980029 4.573245 4.778941 5.394558 4.861693 3.928388 3.922703 3.851179 4.040779 4.041185 5.517917 4.663193 5.326531 6.164980 5.520810 2.392648 0.000000 7.465405 4.762485 2.135884 3.234968 2.148173 4.993023 3.881611 4.741112 3.632646 4.273917 2.882994 6.266121 5.603067 3.587065 4.104635 1.078783 4.324992 4.980802 3.152692 5.302232 5.857817 5.985576 5.765471 4.281315 5.262999 3.952416 2.574453 3.691141 6.262843 7.060938 6.705384 5.972461 6.552716 5.132081 4.443400 3.681536 0.000000 4.866816 4.965433 4.127056 4.032487 3.233237 6.250942 4.863562 6.287836 3.938935 5.052097 5.068203 6.696010 7.451757 2.643698 2.155082 3.662490 1.084470 3.389993 3.464413 2.136908 3.863660 3.376382 7.196996 6.551680 5.381325 5.018563 5.457175 5.954891 6.103942 7.669542 6.950828 7.593438 8.365865 7.571763 4.542525 2.335821 4.097282 0.000000 4.855631 5.215115 5.550982 6.205184 6.115418 4.811387 4.451056 4.068483 2.955717 2.570180 5.357180 4.909838 6.299425 2.802213 2.163098 5.490249 3.393616 1.080004 6.475602 3.868079 2.126762 3.371527 4.424572 4.660059 2.133701 2.409317 5.277627 6.366721 4.089267 5.402430 5.713424 6.921567 6.753980 6.610320 5.596216 3.821798 5.298767 4.298289 0.000000 8.510568 4.630996 3.139066 2.103865 2.151781 6.544839 5.007738 7.176928 5.212605 6.634798 4.471894 7.268260 7.090918 4.522386 5.196321 3.138671 4.730445 6.592731 1.079212 5.808229 7.413723 7.069044 8.245621 7.181708 7.320470 6.862668 5.198923 4.745324 7.172619 8.333708 7.112176 6.806640 8.171728 7.022707 3.702990 3.583541 4.166116 3.723679 7.195800 0.000000 2.867309 7.297757 6.413089 6.449247 5.199464 8.287457 7.062090 8.017537 5.860080 6.583947 7.308243 8.639391 9.600332 4.615293 3.424392 5.676775 2.154231 3.871004 5.719210 1.082465 3.398807 2.149879 8.787962 8.275612 6.702588 6.273886 7.495405 8.272443 7.887798 9.504766 9.025789 9.869466 10.432087 9.701416 6.969474 4.651755 5.797001 2.468520 4.950467 5.849186 0.000000 2.862206 7.456090 7.394421 7.974186 7.332235 7.250847 6.770720 6.415022 5.237264 4.932225 7.496285 7.331650 8.722717 4.695492 3.419601 6.981597 3.861804 2.153856 7.899439 3.397653 1.082635 2.147581 6.699472 6.863797 4.522073 4.460092 7.350840 8.558011 6.446852 7.781928 8.100100 9.348332 9.177640 8.957080 7.683374 5.535763 6.685743 4.946214 2.452471 8.478040 4.288246 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4311763 0.1509245 0.1214819 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= 1.16D-06 NBF= 1046 NBsUse= 1041 1.00D-06 EigRej= 7.31D-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= 1156 1155 1155 1156 1156 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82863845904 -1359.88802878662 -0.059390327580 -1359.88789389705 0.000134889575 -1359.88835554101 -0.000461643969 -1359.88838409249 -0.000028551478 -1359.88839108858 -0.000006996086 -1359.88839195854 -0.000000869965 -1359.88839201118 -0.000000052635 -1359.88839202097 -0.000000009791 -1359.88839202151 -0.000000000541 -1359.88839202151 0.000000000005 -1359.88839202162 -0.000000000117 -1359.88839202 12 1.354542616355e+03 -7.071023916115e+03 2.413689748186e+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. PT41024.700S Sat Aug 14 11:46:12 2021 GINC-BELVIS20 PAULAPLA 14-Aug-2021 0 Single Point triticonazole_Z CONF3 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.888392 RMSD=6.594e-09 Dipole=-1.1077302,0.7022011,-0.8317253 Quadrupole=-5.5692583,3.5130672,2.056191,-0.8198803,6.0973856,-5.0070587 PG=C01 [X(C17H20Cl1N3O1)] 0 5.9967799191 0.1201839453 -0.2911428972 0 -2.7437277198 0.1190209662 1.6461205617 0 -2.1526393099 -1.7920242566 -0.5131249091 0 -2.2503713951 -2.5075835952 0.6398099743 0 -0.6614377079 -3.3925458469 -0.6997634818 0 -3.156372004 1.9069217334 0.0384082723 0 -2.438273766 0.5458949114 0.3300739797 0 -2.3213633169 2.464711716 -1.1346918027 0 -0.9571764045 0.8661170062 0.0797687066 0 -0.862147698 2.0970452049 -0.7975721734 0 -2.9025711437 -0.5550093888 -0.6729464407 0 -3.0089096267 2.8159801257 1.2754236721 0 -4.6446805426 1.7744968732 -0.3006366228 0 0.0259288019 0.0966861175 0.5650864365 0 1.4757967421 0.1723740162 0.3520921346 0 -1.1884250955 -2.3301012482 -1.2866278561 0 2.2329603147 -0.9928068761 0.5725401214 0 2.1657416949 1.3255353421 -0.0603797447 0 -1.3393383123 -3.4562561551 0.4747941571 0 3.6078597149 -1.0212368679 0.3743569106 0 3.5435769463 1.3148313598 -0.2528683556 0 4.2554925763 0.1387762282 -0.03965842 0 -2.4664986136 3.540080896 -1.2593030323 0 -2.6282813044 1.995154415 -2.0752830634 0 -0.3926695083 2.9150891358 -0.2420838461 0 -0.243997548 1.9315559724 -1.6855539703 0 -2.7747559619 -0.2307997287 -1.705223102 0 -3.9542404751 -0.780004465 -0.4968844521 0 -1.970318367 2.9023221372 1.6023636559 0 -3.3811685798 3.8173101743 1.0402875801 0 -3.5795826766 2.4162220848 2.1137492959 0 -5.1744308538 1.2390627904 0.492053053 0 -5.0962945215 2.7662069746 -0.3926151024 0 -4.8161508104 1.2541251675 -1.246949371 0 -2.6103462717 -0.8399772451 1.7137300908 0 -0.2793125511 -0.7440020472 1.1828498835 0 -0.9120272924 -1.923354236 -2.2468015744 0 1.7284910424 -1.9001600437 0.8860630853 0 1.6358580459 2.2540740507 -0.2135032109 0 -1.1685517123 -4.2152301213 1.2227840632 0 4.1721844749 -1.9303237715 0.5381516064 0 4.0630867686 2.2129490545 -0.5620499559